Datasets:
RosettaCommons
/
MegaScale

Dataset card Data Studio Files Community
2
name
stringlengths
8
23
pdb
stringlengths
34.3k
97.9k
HEEH_KT_rd6_1227.pdb
ATOM 1 N SER A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA SER A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C SER A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O SER A 1 1.297 2.373 -0.319 1.00 0.00 O ATOM 5 CB SER A 1 1.980 -0.754 -1.207 1.00 0.00 C ATOM 6 OG SER A 1 1.707 -0.057 -2.392 1.00 0.00 O ATOM 7 1H SER A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 8 2H SER A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 9 3H SER A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 10 HA SER A 1 1.804 -0.509 0.900 1.00 0.00 H ATOM 11 1HB SER A 1 3.055 -0.901 -1.108 1.00 0.00 H ATOM 12 2HB SER A 1 1.518 -1.740 -1.248 1.00 0.00 H ATOM 13 HG SER A 1 1.921 -0.659 -3.108 1.00 0.00 H ATOM 14 N GLU A 2 3.281 1.556 0.359 1.00 0.00 N ATOM 15 CA GLU A 2 3.937 2.857 0.374 1.00 0.00 C ATOM 16 C GLU A 2 4.057 3.432 -1.031 1.00 0.00 C ATOM 17 O GLU A 2 3.891 4.634 -1.237 1.00 0.00 O ATOM 18 CB GLU A 2 5.325 2.746 1.011 1.00 0.00 C ATOM 19 CG GLU A 2 5.312 2.354 2.481 1.00 0.00 C ATOM 20 CD GLU A 2 5.088 0.883 2.693 1.00 0.00 C ATOM 21 OE1 GLU A 2 4.987 0.171 1.722 1.00 0.00 O ATOM 22 OE2 GLU A 2 5.018 0.469 3.826 1.00 0.00 O ATOM 23 H GLU A 2 3.806 0.736 0.628 1.00 0.00 H ATOM 24 HA GLU A 2 3.340 3.539 0.981 1.00 0.00 H ATOM 25 1HB GLU A 2 5.914 2.005 0.472 1.00 0.00 H ATOM 26 2HB GLU A 2 5.842 3.702 0.924 1.00 0.00 H ATOM 27 1HG GLU A 2 6.266 2.632 2.929 1.00 0.00 H ATOM 28 2HG GLU A 2 4.527 2.913 2.989 1.00 0.00 H ATOM 29 N GLU A 3 4.344 2.566 -1.996 1.00 0.00 N ATOM 30 CA GLU A 3 4.501 2.987 -3.382 1.00 0.00 C ATOM 31 C GLU A 3 3.197 3.544 -3.940 1.00 0.00 C ATOM 32 O GLU A 3 3.195 4.541 -4.661 1.00 0.00 O ATOM 33 CB GLU A 3 4.978 1.817 -4.245 1.00 0.00 C ATOM 34 CG GLU A 3 6.408 1.375 -3.970 1.00 0.00 C ATOM 35 CD GLU A 3 6.821 0.185 -4.791 1.00 0.00 C ATOM 36 OE1 GLU A 3 5.981 -0.375 -5.455 1.00 0.00 O ATOM 37 OE2 GLU A 3 7.977 -0.165 -4.755 1.00 0.00 O ATOM 38 H GLU A 3 4.458 1.589 -1.763 1.00 0.00 H ATOM 39 HA GLU A 3 5.260 3.769 -3.423 1.00 0.00 H ATOM 40 1HB GLU A 3 4.326 0.958 -4.086 1.00 0.00 H ATOM 41 2HB GLU A 3 4.909 2.090 -5.299 1.00 0.00 H ATOM 42 1HG GLU A 3 7.082 2.203 -4.188 1.00 0.00 H ATOM 43 2HG GLU A 3 6.505 1.132 -2.913 1.00 0.00 H ATOM 44 N HIS A 4 2.090 2.892 -3.601 1.00 0.00 N ATOM 45 CA HIS A 4 0.771 3.362 -4.008 1.00 0.00 C ATOM 46 C HIS A 4 0.489 4.755 -3.459 1.00 0.00 C ATOM 47 O HIS A 4 0.052 5.644 -4.190 1.00 0.00 O ATOM 48 CB HIS A 4 -0.318 2.391 -3.538 1.00 0.00 C ATOM 49 CG HIS A 4 -1.701 2.800 -3.938 1.00 0.00 C ATOM 50 ND1 HIS A 4 -2.171 2.668 -5.228 1.00 0.00 N ATOM 51 CD2 HIS A 4 -2.716 3.337 -3.221 1.00 0.00 C ATOM 52 CE1 HIS A 4 -3.417 3.107 -5.286 1.00 0.00 C ATOM 53 NE2 HIS A 4 -3.770 3.518 -4.082 1.00 0.00 N ATOM 54 H HIS A 4 2.163 2.051 -3.048 1.00 0.00 H ATOM 55 HA HIS A 4 0.737 3.402 -5.096 1.00 0.00 H ATOM 56 1HB HIS A 4 -0.123 1.400 -3.947 1.00 0.00 H ATOM 57 2HB HIS A 4 -0.288 2.309 -2.452 1.00 0.00 H ATOM 58 HD1 HIS A 4 -1.692 2.234 -5.991 1.00 0.00 H ATOM 59 HD2 HIS A 4 -2.813 3.619 -2.172 1.00 0.00 H ATOM 60 HE1 HIS A 4 -3.970 3.087 -6.225 1.00 0.00 H ATOM 61 N ALA A 5 0.742 4.939 -2.168 1.00 0.00 N ATOM 62 CA ALA A 5 0.507 6.223 -1.516 1.00 0.00 C ATOM 63 C ALA A 5 1.333 7.327 -2.162 1.00 0.00 C ATOM 64 O ALA A 5 0.853 8.446 -2.348 1.00 0.00 O ATOM 65 CB ALA A 5 0.820 6.128 -0.029 1.00 0.00 C ATOM 66 H ALA A 5 1.106 4.171 -1.623 1.00 0.00 H ATOM 67 HA ALA A 5 -0.551 6.473 -1.616 1.00 0.00 H ATOM 68 1HB ALA A 5 0.640 7.094 0.442 1.00 0.00 H ATOM 69 2HB ALA A 5 0.180 5.375 0.430 1.00 0.00 H ATOM 70 3HB ALA A 5 1.864 5.848 0.105 1.00 0.00 H ATOM 71 N GLU A 6 2.577 7.007 -2.500 1.00 0.00 N ATOM 72 CA GLU A 6 3.470 7.970 -3.135 1.00 0.00 C ATOM 73 C GLU A 6 2.917 8.432 -4.477 1.00 0.00 C ATOM 74 O GLU A 6 2.929 9.624 -4.787 1.00 0.00 O ATOM 75 CB GLU A 6 4.861 7.362 -3.329 1.00 0.00 C ATOM 76 CG GLU A 6 5.875 8.301 -3.965 1.00 0.00 C ATOM 77 CD GLU A 6 7.222 7.662 -4.161 1.00 0.00 C ATOM 78 OE1 GLU A 6 7.502 6.695 -3.495 1.00 0.00 O ATOM 79 OE2 GLU A 6 7.972 8.143 -4.978 1.00 0.00 O ATOM 80 H GLU A 6 2.913 6.073 -2.314 1.00 0.00 H ATOM 81 HA GLU A 6 3.567 8.836 -2.479 1.00 0.00 H ATOM 82 1HB GLU A 6 5.257 7.046 -2.364 1.00 0.00 H ATOM 83 2HB GLU A 6 4.786 6.475 -3.958 1.00 0.00 H ATOM 84 1HG GLU A 6 5.496 8.627 -4.933 1.00 0.00 H ATOM 85 2HG GLU A 6 5.985 9.182 -3.334 1.00 0.00 H ATOM 86 N LYS A 7 2.433 7.483 -5.270 1.00 0.00 N ATOM 87 CA LYS A 7 1.868 7.793 -6.579 1.00 0.00 C ATOM 88 C LYS A 7 0.684 8.745 -6.457 1.00 0.00 C ATOM 89 O LYS A 7 0.514 9.647 -7.275 1.00 0.00 O ATOM 90 CB LYS A 7 1.439 6.511 -7.294 1.00 0.00 C ATOM 91 CG LYS A 7 2.595 5.638 -7.767 1.00 0.00 C ATOM 92 CD LYS A 7 2.091 4.389 -8.474 1.00 0.00 C ATOM 93 CE LYS A 7 3.221 3.403 -8.732 1.00 0.00 C ATOM 94 NZ LYS A 7 2.760 2.217 -9.503 1.00 0.00 N ATOM 95 H LYS A 7 2.456 6.522 -4.960 1.00 0.00 H ATOM 96 HA LYS A 7 2.639 8.270 -7.184 1.00 0.00 H ATOM 97 1HB LYS A 7 0.819 5.912 -6.628 1.00 0.00 H ATOM 98 2HB LYS A 7 0.834 6.764 -8.165 1.00 0.00 H ATOM 99 1HG LYS A 7 3.223 6.206 -8.454 1.00 0.00 H ATOM 100 2HG LYS A 7 3.200 5.341 -6.911 1.00 0.00 H ATOM 101 1HD LYS A 7 1.330 3.905 -7.860 1.00 0.00 H ATOM 102 2HD LYS A 7 1.641 4.667 -9.427 1.00 0.00 H ATOM 103 1HE LYS A 7 4.015 3.898 -9.289 1.00 0.00 H ATOM 104 2HE LYS A 7 3.632 3.065 -7.781 1.00 0.00 H ATOM 105 1HZ LYS A 7 3.538 1.589 -9.652 1.00 0.00 H ATOM 106 2HZ LYS A 7 2.036 1.739 -8.986 1.00 0.00 H ATOM 107 3HZ LYS A 7 2.395 2.517 -10.396 1.00 0.00 H ATOM 108 N VAL A 8 -0.132 8.537 -5.429 1.00 0.00 N ATOM 109 CA VAL A 8 -1.294 9.385 -5.190 1.00 0.00 C ATOM 110 C VAL A 8 -0.875 10.797 -4.802 1.00 0.00 C ATOM 111 O VAL A 8 -1.415 11.777 -5.314 1.00 0.00 O ATOM 112 CB VAL A 8 -2.170 8.788 -4.072 1.00 0.00 C ATOM 113 CG1 VAL A 8 -3.275 9.760 -3.686 1.00 0.00 C ATOM 114 CG2 VAL A 8 -2.755 7.459 -4.527 1.00 0.00 C ATOM 115 H VAL A 8 0.057 7.772 -4.797 1.00 0.00 H ATOM 116 HA VAL A 8 -1.882 9.433 -6.107 1.00 0.00 H ATOM 117 HB VAL A 8 -1.555 8.631 -3.186 1.00 0.00 H ATOM 118 1HG1 VAL A 8 -3.885 9.322 -2.895 1.00 0.00 H ATOM 119 2HG1 VAL A 8 -2.833 10.690 -3.330 1.00 0.00 H ATOM 120 3HG1 VAL A 8 -3.901 9.963 -4.554 1.00 0.00 H ATOM 121 1HG2 VAL A 8 -3.372 7.043 -3.732 1.00 0.00 H ATOM 122 2HG2 VAL A 8 -3.365 7.615 -5.417 1.00 0.00 H ATOM 123 3HG2 VAL A 8 -1.946 6.766 -4.758 1.00 0.00 H ATOM 124 N GLU A 9 0.092 10.894 -3.896 1.00 0.00 N ATOM 125 CA GLU A 9 0.590 12.187 -3.443 1.00 0.00 C ATOM 126 C GLU A 9 1.166 12.991 -4.601 1.00 0.00 C ATOM 127 O GLU A 9 0.955 14.201 -4.695 1.00 0.00 O ATOM 128 CB GLU A 9 1.655 12.000 -2.360 1.00 0.00 C ATOM 129 CG GLU A 9 1.114 11.508 -1.025 1.00 0.00 C ATOM 130 CD GLU A 9 2.196 11.262 -0.010 1.00 0.00 C ATOM 131 OE1 GLU A 9 3.338 11.501 -0.318 1.00 0.00 O ATOM 132 OE2 GLU A 9 1.878 10.835 1.075 1.00 0.00 O ATOM 133 H GLU A 9 0.491 10.050 -3.510 1.00 0.00 H ATOM 134 HA GLU A 9 -0.240 12.745 -3.008 1.00 0.00 H ATOM 135 1HB GLU A 9 2.401 11.283 -2.703 1.00 0.00 H ATOM 136 2HB GLU A 9 2.167 12.946 -2.185 1.00 0.00 H ATOM 137 1HG GLU A 9 0.422 12.251 -0.629 1.00 0.00 H ATOM 138 2HG GLU A 9 0.559 10.585 -1.188 1.00 0.00 H ATOM 139 N ARG A 10 1.896 12.313 -5.481 1.00 0.00 N ATOM 140 CA ARG A 10 2.476 12.957 -6.654 1.00 0.00 C ATOM 141 C ARG A 10 1.392 13.463 -7.596 1.00 0.00 C ATOM 142 O ARG A 10 1.484 14.571 -8.125 1.00 0.00 O ATOM 143 CB ARG A 10 3.382 11.990 -7.402 1.00 0.00 C ATOM 144 CG ARG A 10 4.706 11.693 -6.715 1.00 0.00 C ATOM 145 CD ARG A 10 5.532 10.742 -7.502 1.00 0.00 C ATOM 146 NE ARG A 10 6.777 10.417 -6.826 1.00 0.00 N ATOM 147 CZ ARG A 10 7.889 11.177 -6.863 1.00 0.00 C ATOM 148 NH1 ARG A 10 7.896 12.300 -7.546 1.00 0.00 N ATOM 149 NH2 ARG A 10 8.974 10.793 -6.213 1.00 0.00 N ATOM 150 H ARG A 10 2.051 11.327 -5.334 1.00 0.00 H ATOM 151 HA ARG A 10 3.075 13.805 -6.322 1.00 0.00 H ATOM 152 1HB ARG A 10 2.864 11.042 -7.543 1.00 0.00 H ATOM 153 2HB ARG A 10 3.606 12.391 -8.390 1.00 0.00 H ATOM 154 1HG ARG A 10 5.269 12.619 -6.594 1.00 0.00 H ATOM 155 2HG ARG A 10 4.517 11.253 -5.735 1.00 0.00 H ATOM 156 1HD ARG A 10 4.976 9.818 -7.656 1.00 0.00 H ATOM 157 2HD ARG A 10 5.774 11.185 -8.468 1.00 0.00 H ATOM 158 HE ARG A 10 6.811 9.560 -6.290 1.00 0.00 H ATOM 159 1HH1 ARG A 10 7.067 12.593 -8.043 1.00 0.00 H ATOM 160 2HH1 ARG A 10 8.729 12.869 -7.574 1.00 0.00 H ATOM 161 1HH2 ARG A 10 8.969 9.929 -5.687 1.00 0.00 H ATOM 162 2HH2 ARG A 10 9.807 11.362 -6.240 1.00 0.00 H ATOM 163 N ALA A 11 0.365 12.646 -7.803 1.00 0.00 N ATOM 164 CA ALA A 11 -0.751 13.021 -8.665 1.00 0.00 C ATOM 165 C ALA A 11 -1.459 14.263 -8.140 1.00 0.00 C ATOM 166 O ALA A 11 -1.869 15.128 -8.914 1.00 0.00 O ATOM 167 CB ALA A 11 -1.734 11.866 -8.792 1.00 0.00 C ATOM 168 H ALA A 11 0.356 11.743 -7.351 1.00 0.00 H ATOM 169 HA ALA A 11 -0.361 13.234 -9.661 1.00 0.00 H ATOM 170 1HB ALA A 11 -2.561 12.161 -9.438 1.00 0.00 H ATOM 171 2HB ALA A 11 -1.227 11.003 -9.224 1.00 0.00 H ATOM 172 3HB ALA A 11 -2.118 11.605 -7.807 1.00 0.00 H ATOM 173 N ILE A 12 -1.599 14.346 -6.821 1.00 0.00 N ATOM 174 CA ILE A 12 -2.212 15.507 -6.188 1.00 0.00 C ATOM 175 C ILE A 12 -1.333 16.743 -6.335 1.00 0.00 C ATOM 176 O ILE A 12 -1.818 17.826 -6.662 1.00 0.00 O ATOM 177 CB ILE A 12 -2.480 15.241 -4.696 1.00 0.00 C ATOM 178 CG1 ILE A 12 -3.573 14.181 -4.530 1.00 0.00 C ATOM 179 CG2 ILE A 12 -2.871 16.529 -3.988 1.00 0.00 C ATOM 180 CD1 ILE A 12 -3.655 13.602 -3.136 1.00 0.00 C ATOM 181 H ILE A 12 -1.273 13.585 -6.243 1.00 0.00 H ATOM 182 HA ILE A 12 -3.171 15.700 -6.672 1.00 0.00 H ATOM 183 HB ILE A 12 -1.580 14.840 -4.230 1.00 0.00 H ATOM 184 1HG1 ILE A 12 -4.541 14.615 -4.778 1.00 0.00 H ATOM 185 2HG1 ILE A 12 -3.394 13.363 -5.228 1.00 0.00 H ATOM 186 1HG2 ILE A 12 -3.058 16.322 -2.934 1.00 0.00 H ATOM 187 2HG2 ILE A 12 -2.063 17.253 -4.078 1.00 0.00 H ATOM 188 3HG2 ILE A 12 -3.775 16.934 -4.443 1.00 0.00 H ATOM 189 1HD1 ILE A 12 -4.452 12.858 -3.098 1.00 0.00 H ATOM 190 2HD1 ILE A 12 -2.706 13.130 -2.881 1.00 0.00 H ATOM 191 3HD1 ILE A 12 -3.868 14.398 -2.424 1.00 0.00 H ATOM 192 N LYS A 13 -0.038 16.574 -6.091 1.00 0.00 N ATOM 193 CA LYS A 13 0.916 17.667 -6.231 1.00 0.00 C ATOM 194 C LYS A 13 0.977 18.164 -7.669 1.00 0.00 C ATOM 195 O LYS A 13 1.307 19.323 -7.921 1.00 0.00 O ATOM 196 CB LYS A 13 2.306 17.227 -5.768 1.00 0.00 C ATOM 197 CG LYS A 13 2.442 17.054 -4.261 1.00 0.00 C ATOM 198 CD LYS A 13 3.798 16.474 -3.891 1.00 0.00 C ATOM 199 CE LYS A 13 3.934 16.298 -2.385 1.00 0.00 C ATOM 200 NZ LYS A 13 5.213 15.633 -2.016 1.00 0.00 N ATOM 201 H LYS A 13 0.293 15.664 -5.801 1.00 0.00 H ATOM 202 HA LYS A 13 0.598 18.489 -5.589 1.00 0.00 H ATOM 203 1HB LYS A 13 2.563 16.277 -6.238 1.00 0.00 H ATOM 204 2HB LYS A 13 3.046 17.961 -6.088 1.00 0.00 H ATOM 205 1HG LYS A 13 2.324 18.022 -3.771 1.00 0.00 H ATOM 206 2HG LYS A 13 1.660 16.387 -3.900 1.00 0.00 H ATOM 207 1HD LYS A 13 3.924 15.504 -4.374 1.00 0.00 H ATOM 208 2HD LYS A 13 4.587 17.140 -4.242 1.00 0.00 H ATOM 209 1HE LYS A 13 3.893 17.273 -1.901 1.00 0.00 H ATOM 210 2HE LYS A 13 3.106 15.696 -2.013 1.00 0.00 H ATOM 211 1HZ LYS A 13 5.264 15.535 -1.012 1.00 0.00 H ATOM 212 2HZ LYS A 13 5.254 14.719 -2.446 1.00 0.00 H ATOM 213 3HZ LYS A 13 5.990 16.192 -2.339 1.00 0.00 H ATOM 214 N ASN A 14 0.656 17.282 -8.609 1.00 0.00 N ATOM 215 CA ASN A 14 0.652 17.637 -10.024 1.00 0.00 C ATOM 216 C ASN A 14 -0.706 18.181 -10.450 1.00 0.00 C ATOM 217 O ASN A 14 -0.954 18.394 -11.636 1.00 0.00 O ATOM 218 CB ASN A 14 1.040 16.443 -10.876 1.00 0.00 C ATOM 219 CG ASN A 14 2.483 16.055 -10.704 1.00 0.00 C ATOM 220 OD1 ASN A 14 3.344 16.910 -10.463 1.00 0.00 O ATOM 221 ND2 ASN A 14 2.764 14.783 -10.824 1.00 0.00 N ATOM 222 H ASN A 14 0.410 16.342 -8.338 1.00 0.00 H ATOM 223 HA ASN A 14 1.405 18.408 -10.189 1.00 0.00 H ATOM 224 1HB ASN A 14 0.413 15.589 -10.614 1.00 0.00 H ATOM 225 2HB ASN A 14 0.860 16.671 -11.926 1.00 0.00 H ATOM 226 1HD2 ASN A 14 3.708 14.467 -10.720 1.00 0.00 H ATOM 227 2HD2 ASN A 14 2.036 14.126 -11.019 1.00 0.00 H ATOM 228 N ASN A 15 -1.581 18.404 -9.476 1.00 0.00 N ATOM 229 CA ASN A 15 -2.889 18.990 -9.741 1.00 0.00 C ATOM 230 C ASN A 15 -3.672 18.156 -10.748 1.00 0.00 C ATOM 231 O ASN A 15 -4.308 18.696 -11.653 1.00 0.00 O ATOM 232 CB ASN A 15 -2.745 20.420 -10.228 1.00 0.00 C ATOM 233 CG ASN A 15 -2.099 21.316 -9.207 1.00 0.00 C ATOM 234 OD1 ASN A 15 -2.423 21.254 -8.016 1.00 0.00 O ATOM 235 ND2 ASN A 15 -1.191 22.147 -9.651 1.00 0.00 N ATOM 236 H ASN A 15 -1.333 18.161 -8.527 1.00 0.00 H ATOM 237 HA ASN A 15 -3.461 18.995 -8.811 1.00 0.00 H ATOM 238 1HB ASN A 15 -2.147 20.436 -11.139 1.00 0.00 H ATOM 239 2HB ASN A 15 -3.729 20.821 -10.475 1.00 0.00 H ATOM 240 1HD2 ASN A 15 -0.728 22.767 -9.018 1.00 0.00 H ATOM 241 2HD2 ASN A 15 -0.961 22.162 -10.624 1.00 0.00 H ATOM 242 N ILE A 16 -3.623 16.839 -10.583 1.00 0.00 N ATOM 243 CA ILE A 16 -4.401 15.933 -11.419 1.00 0.00 C ATOM 244 C ILE A 16 -5.694 15.520 -10.727 1.00 0.00 C ATOM 245 O ILE A 16 -5.672 14.972 -9.623 1.00 0.00 O ATOM 246 CB ILE A 16 -3.585 14.677 -11.775 1.00 0.00 C ATOM 247 CG1 ILE A 16 -2.327 15.062 -12.557 1.00 0.00 C ATOM 248 CG2 ILE A 16 -4.434 13.700 -12.573 1.00 0.00 C ATOM 249 CD1 ILE A 16 -1.325 13.938 -12.694 1.00 0.00 C ATOM 250 H ILE A 16 -3.030 16.455 -9.861 1.00 0.00 H ATOM 251 HA ILE A 16 -4.651 16.447 -12.348 1.00 0.00 H ATOM 252 HB ILE A 16 -3.250 14.189 -10.860 1.00 0.00 H ATOM 253 1HG1 ILE A 16 -2.607 15.393 -13.557 1.00 0.00 H ATOM 254 2HG1 ILE A 16 -1.833 15.899 -12.063 1.00 0.00 H ATOM 255 1HG2 ILE A 16 -3.841 12.818 -12.817 1.00 0.00 H ATOM 256 2HG2 ILE A 16 -5.299 13.403 -11.982 1.00 0.00 H ATOM 257 3HG2 ILE A 16 -4.769 14.177 -13.494 1.00 0.00 H ATOM 258 1HD1 ILE A 16 -0.461 14.288 -13.260 1.00 0.00 H ATOM 259 2HD1 ILE A 16 -1.003 13.615 -11.703 1.00 0.00 H ATOM 260 3HD1 ILE A 16 -1.786 13.102 -13.217 1.00 0.00 H ATOM 261 N ASP A 17 -6.820 15.785 -11.380 1.00 0.00 N ATOM 262 CA ASP A 17 -8.128 15.542 -10.783 1.00 0.00 C ATOM 263 C ASP A 17 -8.488 14.062 -10.826 1.00 0.00 C ATOM 264 O ASP A 17 -8.877 13.478 -9.816 1.00 0.00 O ATOM 265 CB ASP A 17 -9.206 16.356 -11.503 1.00 0.00 C ATOM 266 CG ASP A 17 -9.209 16.135 -13.009 1.00 0.00 C ATOM 267 OD1 ASP A 17 -8.228 15.648 -13.520 1.00 0.00 O ATOM 268 OD2 ASP A 17 -10.191 16.455 -13.635 1.00 0.00 O ATOM 269 H ASP A 17 -6.768 16.163 -12.315 1.00 0.00 H ATOM 270 HA ASP A 17 -8.098 15.864 -9.741 1.00 0.00 H ATOM 271 1HB ASP A 17 -10.187 16.089 -11.109 1.00 0.00 H ATOM 272 2HB ASP A 17 -9.052 17.418 -11.306 1.00 0.00 H ATOM 273 N LYS A 18 -8.356 13.462 -12.004 1.00 0.00 N ATOM 274 CA LYS A 18 -8.681 12.052 -12.185 1.00 0.00 C ATOM 275 C LYS A 18 -7.488 11.276 -12.730 1.00 0.00 C ATOM 276 O LYS A 18 -6.921 11.635 -13.762 1.00 0.00 O ATOM 277 CB LYS A 18 -9.881 11.896 -13.121 1.00 0.00 C ATOM 278 CG LYS A 18 -10.352 10.460 -13.307 1.00 0.00 C ATOM 279 CD LYS A 18 -11.648 10.401 -14.101 1.00 0.00 C ATOM 280 CE LYS A 18 -12.095 8.964 -14.327 1.00 0.00 C ATOM 281 NZ LYS A 18 -12.546 8.317 -13.065 1.00 0.00 N ATOM 282 H LYS A 18 -8.021 13.994 -12.794 1.00 0.00 H ATOM 283 HA LYS A 18 -8.958 11.633 -11.216 1.00 0.00 H ATOM 284 1HB LYS A 18 -10.721 12.476 -12.736 1.00 0.00 H ATOM 285 2HB LYS A 18 -9.630 12.296 -14.104 1.00 0.00 H ATOM 286 1HG LYS A 18 -9.586 9.891 -13.836 1.00 0.00 H ATOM 287 2HG LYS A 18 -10.512 10.000 -12.332 1.00 0.00 H ATOM 288 1HD LYS A 18 -12.430 10.936 -13.560 1.00 0.00 H ATOM 289 2HD LYS A 18 -11.505 10.883 -15.068 1.00 0.00 H ATOM 290 1HE LYS A 18 -12.915 8.947 -15.043 1.00 0.00 H ATOM 291 2HE LYS A 18 -11.269 8.387 -14.741 1.00 0.00 H ATOM 292 1HZ LYS A 18 -12.833 7.367 -13.258 1.00 0.00 H ATOM 293 2HZ LYS A 18 -11.787 8.310 -12.399 1.00 0.00 H ATOM 294 3HZ LYS A 18 -13.325 8.832 -12.682 1.00 0.00 H ATOM 295 N ILE A 19 -7.112 10.211 -12.029 1.00 0.00 N ATOM 296 CA ILE A 19 -5.967 9.400 -12.425 1.00 0.00 C ATOM 297 C ILE A 19 -6.194 7.930 -12.096 1.00 0.00 C ATOM 298 O ILE A 19 -6.877 7.599 -11.128 1.00 0.00 O ATOM 299 CB ILE A 19 -4.681 9.888 -11.733 1.00 0.00 C ATOM 300 CG1 ILE A 19 -3.457 9.181 -12.321 1.00 0.00 C ATOM 301 CG2 ILE A 19 -4.764 9.656 -10.232 1.00 0.00 C ATOM 302 CD1 ILE A 19 -2.143 9.841 -11.968 1.00 0.00 C ATOM 303 H ILE A 19 -7.632 9.958 -11.202 1.00 0.00 H ATOM 304 HA ILE A 19 -5.828 9.500 -13.502 1.00 0.00 H ATOM 305 HB ILE A 19 -4.550 10.953 -11.919 1.00 0.00 H ATOM 306 1HG1 ILE A 19 -3.427 8.151 -11.967 1.00 0.00 H ATOM 307 2HG1 ILE A 19 -3.541 9.151 -13.407 1.00 0.00 H ATOM 308 1HG2 ILE A 19 -3.847 10.006 -9.758 1.00 0.00 H ATOM 309 2HG2 ILE A 19 -5.614 10.203 -9.826 1.00 0.00 H ATOM 310 3HG2 ILE A 19 -4.890 8.591 -10.035 1.00 0.00 H ATOM 311 1HD1 ILE A 19 -1.323 9.284 -12.421 1.00 0.00 H ATOM 312 2HD1 ILE A 19 -2.138 10.865 -12.344 1.00 0.00 H ATOM 313 3HD1 ILE A 19 -2.020 9.851 -10.886 1.00 0.00 H ATOM 314 N ILE A 20 -5.616 7.051 -12.909 1.00 0.00 N ATOM 315 CA ILE A 20 -5.627 5.622 -12.623 1.00 0.00 C ATOM 316 C ILE A 20 -4.289 5.161 -12.063 1.00 0.00 C ATOM 317 O ILE A 20 -3.277 5.164 -12.764 1.00 0.00 O ATOM 318 CB ILE A 20 -5.961 4.811 -13.889 1.00 0.00 C ATOM 319 CG1 ILE A 20 -7.216 5.370 -14.565 1.00 0.00 C ATOM 320 CG2 ILE A 20 -6.147 3.341 -13.546 1.00 0.00 C ATOM 321 CD1 ILE A 20 -8.432 5.398 -13.667 1.00 0.00 C ATOM 322 H ILE A 20 -5.157 7.382 -13.745 1.00 0.00 H ATOM 323 HA ILE A 20 -6.404 5.422 -11.883 1.00 0.00 H ATOM 324 HB ILE A 20 -5.148 4.907 -14.607 1.00 0.00 H ATOM 325 1HG1 ILE A 20 -7.023 6.385 -14.909 1.00 0.00 H ATOM 326 2HG1 ILE A 20 -7.455 4.768 -15.442 1.00 0.00 H ATOM 327 1HG2 ILE A 20 -6.383 2.783 -14.452 1.00 0.00 H ATOM 328 2HG2 ILE A 20 -5.229 2.951 -13.108 1.00 0.00 H ATOM 329 3HG2 ILE A 20 -6.964 3.235 -12.831 1.00 0.00 H ATOM 330 1HD1 ILE A 20 -9.281 5.806 -14.217 1.00 0.00 H ATOM 331 2HD1 ILE A 20 -8.666 4.385 -13.339 1.00 0.00 H ATOM 332 3HD1 ILE A 20 -8.229 6.024 -12.799 1.00 0.00 H ATOM 333 N ILE A 21 -4.288 4.765 -10.794 1.00 0.00 N ATOM 334 CA ILE A 21 -3.062 4.357 -10.119 1.00 0.00 C ATOM 335 C ILE A 21 -3.147 2.911 -9.648 1.00 0.00 C ATOM 336 O ILE A 21 -3.993 2.567 -8.823 1.00 0.00 O ATOM 337 CB ILE A 21 -2.765 5.273 -8.917 1.00 0.00 C ATOM 338 CG1 ILE A 21 -2.519 6.708 -9.388 1.00 0.00 C ATOM 339 CG2 ILE A 21 -1.569 4.753 -8.135 1.00 0.00 C ATOM 340 CD1 ILE A 21 -2.448 7.716 -8.263 1.00 0.00 C ATOM 341 H ILE A 21 -5.159 4.747 -10.285 1.00 0.00 H ATOM 342 HA ILE A 21 -2.232 4.447 -10.823 1.00 0.00 H ATOM 343 HB ILE A 21 -3.633 5.301 -8.259 1.00 0.00 H ATOM 344 1HG1 ILE A 21 -1.584 6.753 -9.945 1.00 0.00 H ATOM 345 2HG1 ILE A 21 -3.317 7.011 -10.066 1.00 0.00 H ATOM 346 1HG2 ILE A 21 -1.372 5.412 -7.290 1.00 0.00 H ATOM 347 2HG2 ILE A 21 -1.781 3.749 -7.770 1.00 0.00 H ATOM 348 3HG2 ILE A 21 -0.693 4.725 -8.784 1.00 0.00 H ATOM 349 1HD1 ILE A 21 -2.272 8.710 -8.676 1.00 0.00 H ATOM 350 2HD1 ILE A 21 -3.389 7.713 -7.713 1.00 0.00 H ATOM 351 3HD1 ILE A 21 -1.633 7.453 -7.591 1.00 0.00 H ATOM 352 N ASP A 22 -2.266 2.068 -10.176 1.00 0.00 N ATOM 353 CA ASP A 22 -2.273 0.648 -9.849 1.00 0.00 C ATOM 354 C ASP A 22 -3.641 0.030 -10.107 1.00 0.00 C ATOM 355 O ASP A 22 -4.088 -0.846 -9.366 1.00 0.00 O ATOM 356 CB ASP A 22 -1.877 0.432 -8.386 1.00 0.00 C ATOM 357 CG ASP A 22 -0.485 0.959 -8.065 1.00 0.00 C ATOM 358 OD1 ASP A 22 0.391 0.800 -8.881 1.00 0.00 O ATOM 359 OD2 ASP A 22 -0.312 1.515 -7.007 1.00 0.00 O ATOM 360 H ASP A 22 -1.574 2.421 -10.822 1.00 0.00 H ATOM 361 HA ASP A 22 -1.560 0.139 -10.499 1.00 0.00 H ATOM 362 1HB ASP A 22 -2.597 0.931 -7.737 1.00 0.00 H ATOM 363 2HB ASP A 22 -1.910 -0.633 -8.153 1.00 0.00 H ATOM 364 N GLY A 23 -4.303 0.490 -11.164 1.00 0.00 N ATOM 365 CA GLY A 23 -5.585 -0.074 -11.570 1.00 0.00 C ATOM 366 C GLY A 23 -6.735 0.560 -10.799 1.00 0.00 C ATOM 367 O GLY A 23 -7.903 0.269 -11.057 1.00 0.00 O ATOM 368 H GLY A 23 -3.908 1.250 -11.699 1.00 0.00 H ATOM 369 1HA GLY A 23 -5.728 0.083 -12.639 1.00 0.00 H ATOM 370 2HA GLY A 23 -5.578 -1.151 -11.403 1.00 0.00 H ATOM 371 N VAL A 24 -6.398 1.426 -9.850 1.00 0.00 N ATOM 372 CA VAL A 24 -7.398 2.051 -8.992 1.00 0.00 C ATOM 373 C VAL A 24 -7.808 3.416 -9.529 1.00 0.00 C ATOM 374 O VAL A 24 -6.961 4.268 -9.799 1.00 0.00 O ATOM 375 CB VAL A 24 -6.852 2.208 -7.561 1.00 0.00 C ATOM 376 CG1 VAL A 24 -7.899 2.843 -6.657 1.00 0.00 C ATOM 377 CG2 VAL A 24 -6.421 0.854 -7.019 1.00 0.00 C ATOM 378 H VAL A 24 -5.423 1.658 -9.719 1.00 0.00 H ATOM 379 HA VAL A 24 -8.279 1.408 -8.963 1.00 0.00 H ATOM 380 HB VAL A 24 -5.995 2.882 -7.581 1.00 0.00 H ATOM 381 1HG1 VAL A 24 -7.496 2.947 -5.650 1.00 0.00 H ATOM 382 2HG1 VAL A 24 -8.166 3.826 -7.044 1.00 0.00 H ATOM 383 3HG1 VAL A 24 -8.786 2.210 -6.629 1.00 0.00 H ATOM 384 1HG2 VAL A 24 -6.035 0.973 -6.007 1.00 0.00 H ATOM 385 2HG2 VAL A 24 -7.277 0.179 -7.004 1.00 0.00 H ATOM 386 3HG2 VAL A 24 -5.642 0.437 -7.658 1.00 0.00 H ATOM 387 N ASP A 25 -9.112 3.619 -9.679 1.00 0.00 N ATOM 388 CA ASP A 25 -9.635 4.870 -10.217 1.00 0.00 C ATOM 389 C ASP A 25 -9.828 5.905 -9.116 1.00 0.00 C ATOM 390 O ASP A 25 -10.753 5.802 -8.309 1.00 0.00 O ATOM 391 CB ASP A 25 -10.964 4.630 -10.938 1.00 0.00 C ATOM 392 CG ASP A 25 -11.483 5.871 -11.652 1.00 0.00 C ATOM 393 OD1 ASP A 25 -10.966 6.935 -11.405 1.00 0.00 O ATOM 394 OD2 ASP A 25 -12.392 5.744 -12.437 1.00 0.00 O ATOM 395 H ASP A 25 -9.758 2.889 -9.416 1.00 0.00 H ATOM 396 HA ASP A 25 -8.921 5.261 -10.943 1.00 0.00 H ATOM 397 1HB ASP A 25 -10.842 3.832 -11.671 1.00 0.00 H ATOM 398 2HB ASP A 25 -11.714 4.302 -10.219 1.00 0.00 H ATOM 399 N ILE A 26 -8.949 6.901 -9.087 1.00 0.00 N ATOM 400 CA ILE A 26 -8.963 7.905 -8.029 1.00 0.00 C ATOM 401 C ILE A 26 -9.316 9.281 -8.578 1.00 0.00 C ATOM 402 O ILE A 26 -8.662 9.781 -9.493 1.00 0.00 O ATOM 403 CB ILE A 26 -7.600 7.971 -7.316 1.00 0.00 C ATOM 404 CG1 ILE A 26 -7.274 6.627 -6.661 1.00 0.00 C ATOM 405 CG2 ILE A 26 -7.594 9.086 -6.282 1.00 0.00 C ATOM 406 CD1 ILE A 26 -5.851 6.519 -6.162 1.00 0.00 C ATOM 407 H ILE A 26 -8.254 6.966 -9.817 1.00 0.00 H ATOM 408 HA ILE A 26 -9.714 7.619 -7.291 1.00 0.00 H ATOM 409 HB ILE A 26 -6.816 8.163 -8.048 1.00 0.00 H ATOM 410 1HG1 ILE A 26 -7.945 6.460 -5.819 1.00 0.00 H ATOM 411 2HG1 ILE A 26 -7.444 5.822 -7.377 1.00 0.00 H ATOM 412 1HG2 ILE A 26 -6.623 9.119 -5.788 1.00 0.00 H ATOM 413 2HG2 ILE A 26 -7.782 10.040 -6.774 1.00 0.00 H ATOM 414 3HG2 ILE A 26 -8.372 8.900 -5.542 1.00 0.00 H ATOM 415 1HD1 ILE A 26 -5.697 5.539 -5.711 1.00 0.00 H ATOM 416 2HD1 ILE A 26 -5.162 6.648 -6.997 1.00 0.00 H ATOM 417 3HD1 ILE A 26 -5.668 7.293 -5.417 1.00 0.00 H ATOM 418 N GLU A 27 -10.355 9.889 -8.015 1.00 0.00 N ATOM 419 CA GLU A 27 -10.800 11.207 -8.450 1.00 0.00 C ATOM 420 C GLU A 27 -11.000 12.140 -7.264 1.00 0.00 C ATOM 421 O GLU A 27 -11.653 11.782 -6.284 1.00 0.00 O ATOM 422 CB GLU A 27 -12.101 11.094 -9.248 1.00 0.00 C ATOM 423 CG GLU A 27 -12.612 12.415 -9.806 1.00 0.00 C ATOM 424 CD GLU A 27 -13.880 12.263 -10.600 1.00 0.00 C ATOM 425 OE1 GLU A 27 -14.388 11.170 -10.669 1.00 0.00 O ATOM 426 OE2 GLU A 27 -14.341 13.242 -11.138 1.00 0.00 O ATOM 427 H GLU A 27 -10.849 9.425 -7.266 1.00 0.00 H ATOM 428 HA GLU A 27 -10.037 11.631 -9.104 1.00 0.00 H ATOM 429 1HB GLU A 27 -11.956 10.411 -10.085 1.00 0.00 H ATOM 430 2HB GLU A 27 -12.881 10.674 -8.614 1.00 0.00 H ATOM 431 1HG GLU A 27 -12.795 13.100 -8.979 1.00 0.00 H ATOM 432 2HG GLU A 27 -11.842 12.852 -10.440 1.00 0.00 H ATOM 433 N VAL A 28 -10.434 13.338 -7.358 1.00 0.00 N ATOM 434 CA VAL A 28 -10.681 14.382 -6.370 1.00 0.00 C ATOM 435 C VAL A 28 -11.137 15.674 -7.036 1.00 0.00 C ATOM 436 O VAL A 28 -10.582 16.089 -8.053 1.00 0.00 O ATOM 437 CB VAL A 28 -9.406 14.653 -5.549 1.00 0.00 C ATOM 438 CG1 VAL A 28 -9.036 13.431 -4.722 1.00 0.00 C ATOM 439 CG2 VAL A 28 -8.266 15.043 -6.477 1.00 0.00 C ATOM 440 H VAL A 28 -9.818 13.532 -8.134 1.00 0.00 H ATOM 441 HA VAL A 28 -11.466 14.041 -5.695 1.00 0.00 H ATOM 442 HB VAL A 28 -9.602 15.466 -4.850 1.00 0.00 H ATOM 443 1HG1 VAL A 28 -8.133 13.640 -4.148 1.00 0.00 H ATOM 444 2HG1 VAL A 28 -9.851 13.192 -4.041 1.00 0.00 H ATOM 445 3HG1 VAL A 28 -8.855 12.585 -5.385 1.00 0.00 H ATOM 446 1HG2 VAL A 28 -7.368 15.234 -5.889 1.00 0.00 H ATOM 447 2HG2 VAL A 28 -8.075 14.232 -7.179 1.00 0.00 H ATOM 448 3HG2 VAL A 28 -8.537 15.944 -7.028 1.00 0.00 H ATOM 449 N ARG A 29 -12.152 16.306 -6.456 1.00 0.00 N ATOM 450 CA ARG A 29 -12.690 17.549 -6.996 1.00 0.00 C ATOM 451 C ARG A 29 -12.570 18.685 -5.989 1.00 0.00 C ATOM 452 O ARG A 29 -12.979 19.814 -6.261 1.00 0.00 O ATOM 453 CB ARG A 29 -14.149 17.375 -7.388 1.00 0.00 C ATOM 454 CG ARG A 29 -14.402 16.334 -8.467 1.00 0.00 C ATOM 455 CD ARG A 29 -15.848 16.209 -8.782 1.00 0.00 C ATOM 456 NE ARG A 29 -16.100 15.178 -9.776 1.00 0.00 N ATOM 457 CZ ARG A 29 -17.315 14.876 -10.274 1.00 0.00 C ATOM 458 NH1 ARG A 29 -18.376 15.533 -9.862 1.00 0.00 N ATOM 459 NH2 ARG A 29 -17.439 13.919 -11.177 1.00 0.00 N ATOM 460 H ARG A 29 -12.560 15.917 -5.618 1.00 0.00 H ATOM 461 HA ARG A 29 -12.122 17.812 -7.889 1.00 0.00 H ATOM 462 1HB ARG A 29 -14.730 17.089 -6.512 1.00 0.00 H ATOM 463 2HB ARG A 29 -14.546 18.325 -7.747 1.00 0.00 H ATOM 464 1HG ARG A 29 -13.876 16.620 -9.379 1.00 0.00 H ATOM 465 2HG ARG A 29 -14.039 15.363 -8.128 1.00 0.00 H ATOM 466 1HD ARG A 29 -16.396 15.950 -7.876 1.00 0.00 H ATOM 467 2HD ARG A 29 -16.219 17.156 -9.172 1.00 0.00 H ATOM 468 HE ARG A 29 -15.307 14.651 -10.118 1.00 0.00 H ATOM 469 1HH1 ARG A 29 -18.281 16.264 -9.172 1.00 0.00 H ATOM 470 2HH1 ARG A 29 -19.286 15.306 -10.235 1.00 0.00 H ATOM 471 1HH2 ARG A 29 -16.623 13.414 -11.494 1.00 0.00 H ATOM 472 2HH2 ARG A 29 -18.349 13.693 -11.551 1.00 0.00 H ATOM 473 N ARG A 30 -12.007 18.381 -4.825 1.00 0.00 N ATOM 474 CA ARG A 30 -11.822 19.379 -3.779 1.00 0.00 C ATOM 475 C ARG A 30 -10.470 19.217 -3.095 1.00 0.00 C ATOM 476 O ARG A 30 -9.926 18.115 -3.029 1.00 0.00 O ATOM 477 CB ARG A 30 -12.928 19.275 -2.739 1.00 0.00 C ATOM 478 CG ARG A 30 -14.326 19.572 -3.260 1.00 0.00 C ATOM 479 CD ARG A 30 -14.503 21.014 -3.567 1.00 0.00 C ATOM 480 NE ARG A 30 -15.873 21.324 -3.942 1.00 0.00 N ATOM 481 CZ ARG A 30 -16.366 21.220 -5.192 1.00 0.00 C ATOM 482 NH1 ARG A 30 -15.591 20.814 -6.172 1.00 0.00 N ATOM 483 NH2 ARG A 30 -17.629 21.527 -5.431 1.00 0.00 N ATOM 484 H ARG A 30 -11.698 17.433 -4.661 1.00 0.00 H ATOM 485 HA ARG A 30 -11.867 20.369 -4.233 1.00 0.00 H ATOM 486 1HB ARG A 30 -12.939 18.270 -2.319 1.00 0.00 H ATOM 487 2HB ARG A 30 -12.727 19.969 -1.923 1.00 0.00 H ATOM 488 1HG ARG A 30 -14.502 19.002 -4.173 1.00 0.00 H ATOM 489 2HG ARG A 30 -15.062 19.288 -2.508 1.00 0.00 H ATOM 490 1HD ARG A 30 -14.247 21.607 -2.689 1.00 0.00 H ATOM 491 2HD ARG A 30 -13.851 21.292 -4.395 1.00 0.00 H ATOM 492 HE ARG A 30 -16.499 21.641 -3.214 1.00 0.00 H ATOM 493 1HH1 ARG A 30 -14.626 20.579 -5.989 1.00 0.00 H ATOM 494 2HH1 ARG A 30 -15.961 20.736 -7.109 1.00 0.00 H ATOM 495 1HH2 ARG A 30 -18.225 21.840 -4.677 1.00 0.00 H ATOM 496 2HH2 ARG A 30 -17.999 21.449 -6.367 1.00 0.00 H ATOM 497 N GLU A 31 -9.933 20.322 -2.588 1.00 0.00 N ATOM 498 CA GLU A 31 -8.680 20.292 -1.843 1.00 0.00 C ATOM 499 C GLU A 31 -8.804 19.436 -0.589 1.00 0.00 C ATOM 500 O GLU A 31 -7.876 18.714 -0.224 1.00 0.00 O ATOM 501 CB GLU A 31 -8.252 21.711 -1.463 1.00 0.00 C ATOM 502 CG GLU A 31 -7.824 22.576 -2.640 1.00 0.00 C ATOM 503 CD GLU A 31 -8.989 23.137 -3.407 1.00 0.00 C ATOM 504 OE1 GLU A 31 -10.105 22.904 -3.010 1.00 0.00 O ATOM 505 OE2 GLU A 31 -8.762 23.800 -4.392 1.00 0.00 O ATOM 506 H GLU A 31 -10.405 21.204 -2.721 1.00 0.00 H ATOM 507 HA GLU A 31 -7.907 19.865 -2.484 1.00 0.00 H ATOM 508 1HB GLU A 31 -9.075 22.217 -0.958 1.00 0.00 H ATOM 509 2HB GLU A 31 -7.418 21.664 -0.762 1.00 0.00 H ATOM 510 1HG GLU A 31 -7.216 23.401 -2.270 1.00 0.00 H ATOM 511 2HG GLU A 31 -7.208 21.978 -3.311 1.00 0.00 H ATOM 512 N GLU A 32 -9.956 19.521 0.066 1.00 0.00 N ATOM 513 CA GLU A 32 -10.203 18.755 1.282 1.00 0.00 C ATOM 514 C GLU A 32 -10.191 17.257 1.003 1.00 0.00 C ATOM 515 O GLU A 32 -9.675 16.472 1.799 1.00 0.00 O ATOM 516 CB GLU A 32 -11.542 19.157 1.903 1.00 0.00 C ATOM 517 CG GLU A 32 -11.595 20.591 2.410 1.00 0.00 C ATOM 518 CD GLU A 32 -11.864 21.588 1.318 1.00 0.00 C ATOM 519 OE1 GLU A 32 -12.028 21.180 0.193 1.00 0.00 O ATOM 520 OE2 GLU A 32 -11.906 22.761 1.608 1.00 0.00 O ATOM 521 H GLU A 32 -10.679 20.131 -0.286 1.00 0.00 H ATOM 522 HA GLU A 32 -9.415 18.983 2.002 1.00 0.00 H ATOM 523 1HB GLU A 32 -12.336 19.033 1.166 1.00 0.00 H ATOM 524 2HB GLU A 32 -11.768 18.497 2.741 1.00 0.00 H ATOM 525 1HG GLU A 32 -12.381 20.671 3.161 1.00 0.00 H ATOM 526 2HG GLU A 32 -10.647 20.831 2.889 1.00 0.00 H ATOM 527 N GLU A 33 -10.761 16.868 -0.132 1.00 0.00 N ATOM 528 CA GLU A 33 -10.819 15.463 -0.518 1.00 0.00 C ATOM 529 C GLU A 33 -9.425 14.898 -0.753 1.00 0.00 C ATOM 530 O GLU A 33 -9.123 13.776 -0.346 1.00 0.00 O ATOM 531 CB GLU A 33 -11.669 15.291 -1.778 1.00 0.00 C ATOM 532 CG GLU A 33 -13.160 15.515 -1.567 1.00 0.00 C ATOM 533 CD GLU A 33 -13.933 15.565 -2.856 1.00 0.00 C ATOM 534 OE1 GLU A 33 -13.318 15.585 -3.895 1.00 0.00 O ATOM 535 OE2 GLU A 33 -15.140 15.584 -2.801 1.00 0.00 O ATOM 536 H GLU A 33 -11.165 17.564 -0.743 1.00 0.00 H ATOM 537 HA GLU A 33 -11.292 14.903 0.290 1.00 0.00 H ATOM 538 1HB GLU A 33 -11.331 15.990 -2.543 1.00 0.00 H ATOM 539 2HB GLU A 33 -11.535 14.284 -2.173 1.00 0.00 H ATOM 540 1HG GLU A 33 -13.555 14.707 -0.952 1.00 0.00 H ATOM 541 2HG GLU A 33 -13.303 16.449 -1.026 1.00 0.00 H ATOM 542 N ALA A 34 -8.577 15.683 -1.411 1.00 0.00 N ATOM 543 CA ALA A 34 -7.199 15.279 -1.665 1.00 0.00 C ATOM 544 C ALA A 34 -6.435 15.080 -0.361 1.00 0.00 C ATOM 545 O ALA A 34 -5.669 14.128 -0.219 1.00 0.00 O ATOM 546 CB ALA A 34 -6.497 16.309 -2.538 1.00 0.00 C ATOM 547 H ALA A 34 -8.897 16.581 -1.745 1.00 0.00 H ATOM 548 HA ALA A 34 -7.210 14.335 -2.211 1.00 0.00 H ATOM 549 1HB ALA A 34 -5.470 15.993 -2.718 1.00 0.00 H ATOM 550 2HB ALA A 34 -7.022 16.397 -3.489 1.00 0.00 H ATOM 551 3HB ALA A 34 -6.497 17.273 -2.033 1.00 0.00 H ATOM 552 N GLU A 35 -6.649 15.985 0.588 1.00 0.00 N ATOM 553 CA GLU A 35 -5.981 15.911 1.882 1.00 0.00 C ATOM 554 C GLU A 35 -6.426 14.681 2.662 1.00 0.00 C ATOM 555 O GLU A 35 -5.607 13.982 3.257 1.00 0.00 O ATOM 556 CB GLU A 35 -6.261 17.174 2.700 1.00 0.00 C ATOM 557 CG GLU A 35 -5.561 18.424 2.186 1.00 0.00 C ATOM 558 CD GLU A 35 -5.898 19.653 2.983 1.00 0.00 C ATOM 559 OE1 GLU A 35 -6.689 19.552 3.890 1.00 0.00 O ATOM 560 OE2 GLU A 35 -5.365 20.696 2.684 1.00 0.00 O ATOM 561 H GLU A 35 -7.291 16.744 0.408 1.00 0.00 H ATOM 562 HA GLU A 35 -4.906 15.848 1.713 1.00 0.00 H ATOM 563 1HB GLU A 35 -7.333 17.371 2.711 1.00 0.00 H ATOM 564 2HB GLU A 35 -5.947 17.016 3.732 1.00 0.00 H ATOM 565 1HG GLU A 35 -4.484 18.266 2.222 1.00 0.00 H ATOM 566 2HG GLU A 35 -5.843 18.583 1.145 1.00 0.00 H ATOM 567 N GLU A 36 -7.729 14.420 2.654 1.00 0.00 N ATOM 568 CA GLU A 36 -8.287 13.277 3.367 1.00 0.00 C ATOM 569 C GLU A 36 -7.758 11.965 2.803 1.00 0.00 C ATOM 570 O GLU A 36 -7.466 11.030 3.549 1.00 0.00 O ATOM 571 CB GLU A 36 -9.815 13.296 3.292 1.00 0.00 C ATOM 572 CG GLU A 36 -10.473 14.371 4.146 1.00 0.00 C ATOM 573 CD GLU A 36 -11.963 14.438 3.957 1.00 0.00 C ATOM 574 OE1 GLU A 36 -12.462 13.773 3.081 1.00 0.00 O ATOM 575 OE2 GLU A 36 -12.603 15.155 4.689 1.00 0.00 O ATOM 576 H GLU A 36 -8.350 15.031 2.141 1.00 0.00 H ATOM 577 HA GLU A 36 -7.998 13.350 4.415 1.00 0.00 H ATOM 578 1HB GLU A 36 -10.127 13.451 2.259 1.00 0.00 H ATOM 579 2HB GLU A 36 -10.207 12.330 3.611 1.00 0.00 H ATOM 580 1HG GLU A 36 -10.260 14.167 5.195 1.00 0.00 H ATOM 581 2HG GLU A 36 -10.036 15.336 3.896 1.00 0.00 H ATOM 582 N LEU A 37 -7.635 11.901 1.481 1.00 0.00 N ATOM 583 CA LEU A 37 -7.113 10.713 0.817 1.00 0.00 C ATOM 584 C LEU A 37 -5.690 10.410 1.267 1.00 0.00 C ATOM 585 O LEU A 37 -5.366 9.271 1.605 1.00 0.00 O ATOM 586 CB LEU A 37 -7.146 10.901 -0.706 1.00 0.00 C ATOM 587 CG LEU A 37 -6.531 9.761 -1.529 1.00 0.00 C ATOM 588 CD1 LEU A 37 -7.286 8.469 -1.251 1.00 0.00 C ATOM 589 CD2 LEU A 37 -6.583 10.118 -3.007 1.00 0.00 C ATOM 590 H LEU A 37 -7.910 12.697 0.922 1.00 0.00 H ATOM 591 HA LEU A 37 -7.750 9.866 1.073 1.00 0.00 H ATOM 592 1HB LEU A 37 -8.182 11.014 -1.020 1.00 0.00 H ATOM 593 2HB LEU A 37 -6.609 11.816 -0.955 1.00 0.00 H ATOM 594 HG LEU A 37 -5.494 9.613 -1.228 1.00 0.00 H ATOM 595 1HD1 LEU A 37 -6.849 7.659 -1.836 1.00 0.00 H ATOM 596 2HD1 LEU A 37 -7.216 8.227 -0.190 1.00 0.00 H ATOM 597 3HD1 LEU A 37 -8.332 8.592 -1.527 1.00 0.00 H ATOM 598 1HD2 LEU A 37 -6.146 9.309 -3.592 1.00 0.00 H ATOM 599 2HD2 LEU A 37 -7.620 10.265 -3.310 1.00 0.00 H ATOM 600 3HD2 LEU A 37 -6.021 11.036 -3.180 1.00 0.00 H ATOM 601 N VAL A 38 -4.845 11.434 1.269 1.00 0.00 N ATOM 602 CA VAL A 38 -3.455 11.280 1.681 1.00 0.00 C ATOM 603 C VAL A 38 -3.357 10.857 3.141 1.00 0.00 C ATOM 604 O VAL A 38 -2.558 9.989 3.493 1.00 0.00 O ATOM 605 CB VAL A 38 -2.688 12.600 1.479 1.00 0.00 C ATOM 606 CG1 VAL A 38 -1.309 12.518 2.115 1.00 0.00 C ATOM 607 CG2 VAL A 38 -2.580 12.914 -0.005 1.00 0.00 C ATOM 608 H VAL A 38 -5.173 12.344 0.978 1.00 0.00 H ATOM 609 HA VAL A 38 -2.994 10.508 1.062 1.00 0.00 H ATOM 610 HB VAL A 38 -3.227 13.403 1.983 1.00 0.00 H ATOM 611 1HG1 VAL A 38 -0.781 13.460 1.964 1.00 0.00 H ATOM 612 2HG1 VAL A 38 -1.412 12.329 3.184 1.00 0.00 H ATOM 613 3HG1 VAL A 38 -0.743 11.708 1.655 1.00 0.00 H ATOM 614 1HG2 VAL A 38 -2.037 13.850 -0.140 1.00 0.00 H ATOM 615 2HG2 VAL A 38 -2.046 12.109 -0.510 1.00 0.00 H ATOM 616 3HG2 VAL A 38 -3.579 13.010 -0.431 1.00 0.00 H ATOM 617 N LYS A 39 -4.172 11.476 3.987 1.00 0.00 N ATOM 618 CA LYS A 39 -4.167 11.177 5.414 1.00 0.00 C ATOM 619 C LYS A 39 -4.494 9.712 5.670 1.00 0.00 C ATOM 620 O LYS A 39 -3.863 9.060 6.503 1.00 0.00 O ATOM 621 CB LYS A 39 -5.161 12.075 6.153 1.00 0.00 C ATOM 622 CG LYS A 39 -4.712 13.522 6.303 1.00 0.00 C ATOM 623 CD LYS A 39 -5.808 14.381 6.915 1.00 0.00 C ATOM 624 CE LYS A 39 -5.354 15.823 7.084 1.00 0.00 C ATOM 625 NZ LYS A 39 -6.451 16.698 7.576 1.00 0.00 N ATOM 626 H LYS A 39 -4.812 12.173 3.632 1.00 0.00 H ATOM 627 HA LYS A 39 -3.173 11.388 5.809 1.00 0.00 H ATOM 628 1HB LYS A 39 -6.115 12.073 5.625 1.00 0.00 H ATOM 629 2HB LYS A 39 -5.339 11.675 7.152 1.00 0.00 H ATOM 630 1HG LYS A 39 -3.829 13.565 6.941 1.00 0.00 H ATOM 631 2HG LYS A 39 -4.451 13.924 5.324 1.00 0.00 H ATOM 632 1HD LYS A 39 -6.689 14.359 6.272 1.00 0.00 H ATOM 633 2HD LYS A 39 -6.083 13.980 7.890 1.00 0.00 H ATOM 634 1HE LYS A 39 -4.528 15.863 7.793 1.00 0.00 H ATOM 635 2HE LYS A 39 -5.001 16.208 6.128 1.00 0.00 H ATOM 636 1HZ LYS A 39 -6.110 17.644 7.675 1.00 0.00 H ATOM 637 2HZ LYS A 39 -7.216 16.684 6.916 1.00 0.00 H ATOM 638 3HZ LYS A 39 -6.774 16.363 8.473 1.00 0.00 H ATOM 639 N ARG A 40 -5.485 9.197 4.950 1.00 0.00 N ATOM 640 CA ARG A 40 -5.878 7.799 5.075 1.00 0.00 C ATOM 641 C ARG A 40 -4.771 6.870 4.594 1.00 0.00 C ATOM 642 O ARG A 40 -4.508 5.834 5.204 1.00 0.00 O ATOM 643 CB ARG A 40 -7.147 7.526 4.281 1.00 0.00 C ATOM 644 CG ARG A 40 -8.417 8.101 4.887 1.00 0.00 C ATOM 645 CD ARG A 40 -9.634 7.484 4.299 1.00 0.00 C ATOM 646 NE ARG A 40 -9.719 7.714 2.865 1.00 0.00 N ATOM 647 CZ ARG A 40 -10.321 8.776 2.295 1.00 0.00 C ATOM 648 NH1 ARG A 40 -10.885 9.695 3.048 1.00 0.00 N ATOM 649 NH2 ARG A 40 -10.345 8.894 0.979 1.00 0.00 N ATOM 650 H ARG A 40 -5.979 9.790 4.298 1.00 0.00 H ATOM 651 HA ARG A 40 -6.077 7.589 6.128 1.00 0.00 H ATOM 652 1HB ARG A 40 -7.044 7.940 3.278 1.00 0.00 H ATOM 653 2HB ARG A 40 -7.288 6.450 4.178 1.00 0.00 H ATOM 654 1HG ARG A 40 -8.424 7.915 5.961 1.00 0.00 H ATOM 655 2HG ARG A 40 -8.455 9.175 4.704 1.00 0.00 H ATOM 656 1HD ARG A 40 -9.617 6.409 4.471 1.00 0.00 H ATOM 657 2HD ARG A 40 -10.521 7.912 4.765 1.00 0.00 H ATOM 658 HE ARG A 40 -9.297 7.028 2.253 1.00 0.00 H ATOM 659 1HH1 ARG A 40 -10.867 9.604 4.054 1.00 0.00 H ATOM 660 2HH1 ARG A 40 -11.336 10.490 2.620 1.00 0.00 H ATOM 661 1HH2 ARG A 40 -9.912 8.188 0.400 1.00 0.00 H ATOM 662 2HH2 ARG A 40 -10.796 9.689 0.552 1.00 0.00 H ATOM 663 N LEU A 41 -4.126 7.248 3.496 1.00 0.00 N ATOM 664 CA LEU A 41 -3.066 6.434 2.913 1.00 0.00 C ATOM 665 C LEU A 41 -1.850 6.371 3.829 1.00 0.00 C ATOM 666 O LEU A 41 -1.213 5.326 3.961 1.00 0.00 O ATOM 667 CB LEU A 41 -2.655 6.998 1.547 1.00 0.00 C ATOM 668 CG LEU A 41 -3.678 6.818 0.418 1.00 0.00 C ATOM 669 CD1 LEU A 41 -3.328 7.745 -0.738 1.00 0.00 C ATOM 670 CD2 LEU A 41 -3.689 5.364 -0.030 1.00 0.00 C ATOM 671 H LEU A 41 -4.374 8.120 3.054 1.00 0.00 H ATOM 672 HA LEU A 41 -3.446 5.422 2.767 1.00 0.00 H ATOM 673 1HB LEU A 41 -2.466 8.065 1.655 1.00 0.00 H ATOM 674 2HB LEU A 41 -1.729 6.515 1.235 1.00 0.00 H ATOM 675 HG LEU A 41 -4.670 7.094 0.778 1.00 0.00 H ATOM 676 1HD1 LEU A 41 -4.055 7.617 -1.541 1.00 0.00 H ATOM 677 2HD1 LEU A 41 -3.346 8.779 -0.395 1.00 0.00 H ATOM 678 3HD1 LEU A 41 -2.332 7.502 -1.109 1.00 0.00 H ATOM 679 1HD2 LEU A 41 -4.417 5.236 -0.832 1.00 0.00 H ATOM 680 2HD2 LEU A 41 -2.699 5.087 -0.392 1.00 0.00 H ATOM 681 3HD2 LEU A 41 -3.960 4.726 0.811 1.00 0.00 H ATOM 682 N ARG A 42 -1.534 7.496 4.461 1.00 0.00 N ATOM 683 CA ARG A 42 -0.403 7.569 5.378 1.00 0.00 C ATOM 684 C ARG A 42 -0.705 6.844 6.683 1.00 0.00 C ATOM 685 O ARG A 42 0.163 6.179 7.249 1.00 0.00 O ATOM 686 CB ARG A 42 -0.047 9.017 5.676 1.00 0.00 C ATOM 687 CG ARG A 42 0.605 9.766 4.524 1.00 0.00 C ATOM 688 CD ARG A 42 0.900 11.177 4.884 1.00 0.00 C ATOM 689 NE ARG A 42 1.529 11.896 3.787 1.00 0.00 N ATOM 690 CZ ARG A 42 1.874 13.197 3.824 1.00 0.00 C ATOM 691 NH1 ARG A 42 1.646 13.908 4.906 1.00 0.00 N ATOM 692 NH2 ARG A 42 2.443 13.760 2.772 1.00 0.00 N ATOM 693 H ARG A 42 -2.092 8.324 4.302 1.00 0.00 H ATOM 694 HA ARG A 42 0.457 7.093 4.904 1.00 0.00 H ATOM 695 1HB ARG A 42 -0.947 9.563 5.957 1.00 0.00 H ATOM 696 2HB ARG A 42 0.638 9.057 6.524 1.00 0.00 H ATOM 697 1HG ARG A 42 1.541 9.278 4.256 1.00 0.00 H ATOM 698 2HG ARG A 42 -0.066 9.765 3.664 1.00 0.00 H ATOM 699 1HD ARG A 42 -0.027 11.689 5.140 1.00 0.00 H ATOM 700 2HD ARG A 42 1.575 11.201 5.738 1.00 0.00 H ATOM 701 HE ARG A 42 1.721 11.382 2.937 1.00 0.00 H ATOM 702 1HH1 ARG A 42 1.211 13.478 5.710 1.00 0.00 H ATOM 703 2HH1 ARG A 42 1.904 14.883 4.934 1.00 0.00 H ATOM 704 1HH2 ARG A 42 2.618 13.214 1.940 1.00 0.00 H ATOM 705 2HH2 ARG A 42 2.701 14.735 2.799 1.00 0.00 H ATOM 706 N GLY A 43 -1.939 6.976 7.155 1.00 0.00 N ATOM 707 CA GLY A 43 -2.369 6.305 8.376 1.00 0.00 C ATOM 708 C GLY A 43 -2.420 7.275 9.549 1.00 0.00 C ATOM 709 O GLY A 43 -1.662 8.243 9.601 1.00 0.00 O ATOM 710 OXT GLY A 43 -3.208 7.101 10.438 1.00 0.00 O ATOM 711 H GLY A 43 -2.597 7.556 6.656 1.00 0.00 H ATOM 712 1HA GLY A 43 -3.353 5.862 8.221 1.00 0.00 H ATOM 713 2HA GLY A 43 -1.683 5.489 8.604 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE start25_0115_0001.pdb label fa_atr fa_rep fa_sol fa_intra_atr_xover4 fa_intra_rep_xover4 fa_intra_sol_xover4 lk_ball lk_ball_iso lk_ball_bridge lk_ball_bridge_uncpl fa_elec fa_intra_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun_dev fa_dun_rot fa_dun_semi p_aa_pp hxl_tors ref rama_prepro gen_bonded total weights 1 0.55 1 1 0.55 1 0.92 -0.38 -0.33 -0.33 1 1 1.25 1 1 1 1 1.25 0.48 0.69 0.76 0.78 0.61 1 1 0.5 1 NA pose -213.776 19.8072 192.539 -15.1001 8.47601 13.8137 97.3522 -99.8095 -0.49849 -3.01317 -89.5091 -20.4472 0 -27.282 -5.36472 -3.64537 -9.27157 0 0.46546 3.03024 24.8034 48.0412 -12.8146 0.65621 -30.3687 -5.55063 0 -127.466 SER:NtermProteinFull_1 -2.71707 0.08768 3.34708 -0.03275 0 0.06635 1.88121 -1.53916 -0 -0 -1.86335 -1.40235 0 0 0 -0.54303 0 0 0.01182 0.01681 0.31752 0 0 0.65621 -0.77834 0 0 -2.49136 GLU_2 -2.64058 0.09333 3.02368 -0.46714 0.30914 1.47652 1.43307 -1.50106 -0.02884 -0.14853 -1.38099 -2.9616 0 0 0 0 0 0 -0.03159 0.03928 0 4.01783 -0.28531 0 -2.7348 -0.22355 0 -2.01113 GLU_3 -3.43985 0.26118 4.21639 -0.21484 0.03039 0.3002 1.76136 -1.89782 -0.02884 -0.14853 -0.84964 -0.58946 0 0 0 0 0 0 0.19253 0.0006 0 3.01376 -0.22833 0 -2.7348 -0.40156 0 -0.75726 HIS_D_4 -7.43835 0.52003 6.67011 -0.70358 0.01392 0.73783 3.54632 -3.4722 -0 -0 -2.59544 -0.29204 0 0 0 -0.54303 -0.85335 0 -0.00405 0.0004 0 1.58015 -0.15772 0 -0.45461 0.11808 0 -3.32754 ALA_5 -5.26725 0.45713 4.25899 -0.02183 0 0 2.58774 -2.63588 -0 -0 -1.66511 -0.35963 0 0 0 0 0 0 -0.00773 0 0 0 -0.27868 0 1.8394 0.23399 0 -0.85885 GLU_6 -5.5896 0.33348 7.03129 -0.33402 0.085 0.39546 3.51488 -3.04202 -0.00786 -0.08896 -3.50233 -0.57036 0 0 0 0 -1.02148 0 0.00554 0.03686 0 3.5041 -0.11397 0 -2.7348 -0.09037 0 -2.18917 LYS_7 -6.62079 0.48851 6.679 -0.30976 0.0285 0.14439 3.44128 -3.1281 -0 -0 -4.67691 0.01423 0 0 0 0 -0.67585 0 -0.00387 0.28672 1.69517 0 -0.03383 0 -1.5107 -0.14537 0 -4.32738 VAL_8 -8.04565 1.23539 2.9222 -0.30906 0.25899 0.06998 2.86837 -2.81144 -0 -0 -2.00051 -0.07088 0 0 0 0 0 0 -0.05611 0.00324 0.08932 0 -0.35676 0 1.9342 0.0036 0 -4.26513 GLU_9 -6.8731 0.3289 7.60067 -0.21544 0.02753 0.30031 3.60557 -3.4388 -0.02664 -0.2074 -3.81698 -0.60862 0 0 0 0 -0.44213 0 0.05053 0.00395 0 3.10285 -0.20588 0 -2.7348 -0.01726 0 -3.56675 ARG_10 -6.10213 0.33018 7.25241 -0.63218 0.17505 0.35145 3.5503 -3.21749 -0 -0 -3.22274 0.26698 0 0 0 0 -1.02148 0 0.04066 0.04878 2.53022 0 -0.04853 0 -1.2888 -0.11114 0 -1.09848 ALA_11 -5.89986 0.42607 4.09052 -0.02208 0 0 3.13751 -2.79033 -0 -0 -2.07096 -0.36225 0 0 0 0 0 0 0.1031 0 0 0 -0.29505 0 1.8394 -0.09446 0 -1.9384 ILE_12 -6.46551 0.72657 3.79645 -0.51283 0.57337 0.10158 2.62524 -2.58196 -0 -0 -1.5604 0.06212 0 0 0 0 0 0 -0.0034 0.13044 0.63 0 -0.46048 0 0.73287 0.00602 0 -2.19993 LYS_13 -3.99831 0.31347 4.35822 -0.31457 0.02971 0.15026 1.69189 -2.02992 -0.01876 -0.11821 -1.00105 -0.05221 0 0 0 0 0 0 -0.01867 0.19169 1.83449 0 -0.03522 0 -1.5107 -0.07698 0 -0.60486 ASN_14 -4.65503 0.52653 4.69232 -0.19122 0.04612 0.30624 1.85565 -2.3743 -0 -0 -0.77106 -0.43508 0 0 0 0 0 0 0.03199 0.00649 0 2.00491 -0.46535 0 -0.93687 -0.47409 0 -0.83275 ASN_15 -2.60106 0.33305 3.42797 -0.19277 0.0299 0.32878 1.2584 -1.66614 -0.00198 -0.00547 -1.22493 -1.01077 0 0 0 0 0 0 0.00669 0.01615 0 1.94022 -1.01726 0 -0.93687 -0.52598 0 -1.84208 ILE_16 -5.26957 0.48126 2.64626 -0.49073 0.58074 0.10749 1.59635 -1.92846 -0 -0 -0.60423 0.1321 0 0 0 0 0 0 0.03799 0.02969 0.44228 0 -0.66696 0 0.73287 -0.56275 0 -2.73569 ASP_17 -3.31517 0.39046 3.80625 -0.16233 0.04168 0.55285 2.32988 -1.85408 -0.01151 -0.06061 -2.60809 -2.81555 0 0 0 -0.30532 0 0 -0.0037 0.07102 0 4.22897 0.06479 0 -2.3716 0.10717 0 -1.9149 LYS_18 -4.36437 0.58525 5.9346 -0.43982 0.06853 0.22838 2.37483 -2.39445 -0.00953 -0.05514 -6.21159 0.40392 0 0 0 -0.30532 -0.75202 0 -0.06023 0.05349 2.54333 0 0.28126 0 -1.5107 0.4658 0 -3.16378 ILE_19 -6.01158 0.81872 2.2392 -0.55095 0.5919 0.10826 2.07729 -1.88844 -0.00676 -0.03135 -1.8424 0.01073 0 0 0 0 0 0 0.12476 0.0163 0.95348 0 0.0864 0 0.73287 0.32637 0 -2.24516 ILE_20 -4.45332 0.59231 1.49993 -0.67162 0.93517 0.14047 0.41659 -1.47885 -0.00789 -0.02853 -0.1782 0.31971 0 0 0 0 0 0 -0.04812 0.25656 0.9515 0 -0.57172 0 0.73287 0.08745 0 -1.50571 ILE_21 -8.467 1.41391 3.51658 -0.48963 0.68155 0.11249 2.19558 -2.72168 -0.00194 -0.00536 -1.73313 -0.05595 0 0 0 0 0 0 -0.03978 0.15454 0.29404 0 -0.67909 0 0.73287 -0.30416 0 -5.39614 ASP_22 -3.51606 0.38477 4.91274 -0.12687 0.02343 0.40337 2.42928 -2.08997 -0.00789 -0.02853 -3.90693 -0.76832 0 0 0 0 -1.52919 0 0.00992 0.07096 0 2.43789 -0.53958 0 -2.3716 -0.0285 0 -4.24111 GLY_23 -1.71986 0.2217 1.46158 -6e-05 0 0 0.31473 -0.92199 -0.00077 -0.00207 -0.06249 -0.41526 0 0 0 0 0 0 -0.11088 0 0 0 -1.46404 0 0.83697 -0.3228 0 -2.18525 VAL_24 -5.31986 0.66128 4.31079 -0.27912 0.18985 0.05677 2.65083 -2.47551 -0 -0 -1.78647 -0.01887 0 0 0 0 0 0 -0.05869 0.12941 0.14966 0 -0.53694 0 1.9342 -0.67732 0 -1.06997 ASP_25 -3.32213 0.67645 4.3788 -0.22886 0.09738 0.73416 2.24059 -2.01907 -0.01829 -0.07221 -3.8531 -1.35013 0 0 0 0 -0.75202 0 -0.07649 0.08635 0 1.97188 -0.7656 0 -2.3716 -0.49039 0 -5.13425 ILE_26 -5.84883 0.62311 2.76441 -0.48517 0.62688 0.10522 2.64484 -2.08896 -0 -0 -1.96789 0.04208 0 0 0 0 0 0 -0.05033 0.01706 0.36281 0 -0.77726 0 0.73287 -0.49109 0 -3.79025 GLU_27 -4.13097 0.38442 4.00457 -0.29643 0.06276 0.36477 1.19697 -1.65794 -0.0127 -0.04415 -2.28048 -0.29689 0 0 0 0 -0.89096 0 0.35365 0.00886 0 3.08447 0.10241 0 -2.7348 -0.16071 0 -2.94315 VAL_28 -4.74793 0.19732 2.06133 -0.3317 0.63266 0.07403 1.88227 -1.59335 -0 -0 -1.45106 -0.75815 0 0 0 0 0 0 -0.06163 0.01209 1.68464 0 -0.74792 0 1.9342 -0.07434 0 -1.28754 ARG_29 -3.27612 0.28311 4.54487 -0.4556 0.06988 0.2662 2.04969 -1.72396 -0 -2e-05 -3.42876 0.05518 0 0 0 -0.97434 -0.89096 0 -0.0039 0.03394 1.94937 0 -0.14944 0 -1.2888 -0.0836 0 -3.02326 ARG_30 -5.31925 0.4987 6.5022 -0.95509 0.39014 0.68692 2.6882 -2.66219 -0.01964 -0.12363 -2.61557 0.0276 0 0 0 -0.38628 0 0 0.00067 0.0247 1.84775 0 -0.22643 0 -1.2888 -0.08265 0 -1.01265 GLU_31 -3.28153 0.17699 4.31635 -0.46228 0.23836 1.44552 1.57058 -1.95804 -0.02841 -0.16176 -1.07052 -2.88354 0 0 0 0 0 0 -0.02741 0.03399 0 4.00562 -0.27622 0 -2.7348 -0.38435 0 -1.48145 GLU_32 -4.35928 0.29686 5.79419 -0.45913 0.21648 1.43365 2.05434 -2.49394 -0.07181 -0.45977 -1.26883 -2.86042 0 0 0 0 0 0 -0.01937 0.00972 0 4.01156 -0.26246 0 -2.7348 -0.4123 0 -1.58533 GLU_33 -6.1282 0.29446 7.59293 -0.21623 0.04031 0.31789 3.17216 -3.26151 -0.06248 -0.41818 -3.47524 -0.60324 0 0 0 -0.58805 0 0 0.09009 0.10746 0 3.02894 -0.20101 0 -2.7348 -0.35555 0 -3.40027 ALA_34 -5.25459 0.43084 3.21715 -0.02158 0 0 2.55503 -2.37095 -0 -0 -1.68823 -0.35389 0 0 0 0 0 0 -0.01378 0 0 0 -0.19359 0 1.8394 -0.16129 0 -2.01548 GLU_35 -5.19031 0.38423 6.22768 -0.21266 0.0269 0.29361 2.65481 -2.80388 -0.04077 -0.2773 -2.24711 -0.59184 0 0 0 0 0 0 -0.01035 0.02282 0 3.10736 -0.15443 0 -2.7348 -0.09288 0 -1.63893 GLU_36 -5.63852 0.37551 6.8848 -0.21538 0.02966 0.30388 2.65524 -3.06165 -0.03619 -0.26609 -2.18889 -0.59474 0 0 0 0 0 0 0.04259 0.05958 0 3.00069 -0.25381 0 -2.7348 -0.27842 0 -1.91652 LEU_37 -7.49467 0.74164 4.55664 -0.71236 0.44115 0.27487 2.72755 -2.89777 -0 -0 -1.97451 0.16963 0 0 0 0 0 0 0.00877 0.04185 0.83523 0 -0.20538 0 0.18072 0.0798 0 -3.22685 VAL_38 -7.258 0.67669 5.10328 -0.31387 0.28579 0.07172 2.95418 -2.96436 -1e-05 -0.00023 -2.28235 -0.0957 0 0 0 0 0 0 -0.06508 0.02324 0.12178 0 -0.24324 0 1.9342 0.37196 0 -1.68001 LYS_39 -5.08612 0.30435 5.85535 -0.30596 0.02693 0.13448 2.45129 -2.64092 -0.02649 -0.13443 -1.7288 -0.00544 0 0 0 0 0 0 0.04348 0.23012 1.73426 0 0.01705 0 -1.5107 0.0604 0 -0.58114 ARG_40 -5.04364 0.33137 5.70334 -0.81137 0.1975 0.52962 1.93855 -2.68764 -0.02248 -0.1267 -1.13492 0.43775 0 0 0 0 0 0 -0.04096 0.22354 1.45071 0 -0.07659 0 -1.2888 -0.07433 0 -0.49505 LEU_41 -6.03997 0.86156 2.35066 -0.49128 0.32344 0.11879 1.64287 -1.94622 -0 -0 -0.43843 0.20869 0 0 0 0 0 0 0.02183 0.48382 0.35226 0 -0.28416 0 0.18072 -0.07713 0 -2.73254 ARG_42 -4.15437 0.2093 4.65162 -0.43965 0.04931 0.21897 2.04285 -2.05457 -0 -0 -2.76973 0.34871 0 0 0 0 -0.44213 0 0.105 0.04771 2.03359 0 -0.1083 0 -1.2888 -0.08607 0 -1.63657 GLY:CtermProteinFull_43 -1.41032 0.04911 2.33362 -0.00033 0 0 1.086 -1.04248 -0 -0 -0.50876 0.23652 0 0 0 0 0 0 0 0 0 0 0 0 0.83697 -0.04987 0 1.53046 #END_POSE_ENERGIES_TABLE start25_0115_0001.pdb score_per_res -2.96433 total_score -127.466
HEEH_KT_rd6_1228.pdb
ATOM 1 N ASP A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA ASP A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C ASP A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O ASP A 1 1.253 2.390 0.071 1.00 0.00 O ATOM 5 CB ASP A 1 1.994 -0.762 -1.214 1.00 0.00 C ATOM 6 CG ASP A 1 1.632 -0.100 -2.537 1.00 0.00 C ATOM 7 OD1 ASP A 1 1.180 1.021 -2.514 1.00 0.00 O ATOM 8 OD2 ASP A 1 1.811 -0.720 -3.557 1.00 0.00 O ATOM 9 1H ASP A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 10 2H ASP A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 11 3H ASP A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 12 HA ASP A 1 1.804 -0.509 0.900 1.00 0.00 H ATOM 13 1HB ASP A 1 3.080 -0.835 -1.147 1.00 0.00 H ATOM 14 2HB ASP A 1 1.597 -1.777 -1.212 1.00 0.00 H ATOM 15 N GLU A 2 3.330 1.537 -0.080 1.00 0.00 N ATOM 16 CA GLU A 2 3.994 2.828 0.053 1.00 0.00 C ATOM 17 C GLU A 2 3.666 3.739 -1.123 1.00 0.00 C ATOM 18 O GLU A 2 3.471 4.942 -0.953 1.00 0.00 O ATOM 19 CB GLU A 2 5.509 2.640 0.157 1.00 0.00 C ATOM 20 CG GLU A 2 5.966 1.894 1.403 1.00 0.00 C ATOM 21 CD GLU A 2 5.770 0.407 1.298 1.00 0.00 C ATOM 22 OE1 GLU A 2 5.379 -0.050 0.250 1.00 0.00 O ATOM 23 OE2 GLU A 2 6.012 -0.274 2.267 1.00 0.00 O ATOM 24 H GLU A 2 3.889 0.710 -0.236 1.00 0.00 H ATOM 25 HA GLU A 2 3.647 3.303 0.971 1.00 0.00 H ATOM 26 1HB GLU A 2 5.869 2.090 -0.713 1.00 0.00 H ATOM 27 2HB GLU A 2 5.998 3.615 0.154 1.00 0.00 H ATOM 28 1HG GLU A 2 7.023 2.099 1.570 1.00 0.00 H ATOM 29 2HG GLU A 2 5.411 2.268 2.262 1.00 0.00 H ATOM 30 N GLU A 3 3.608 3.158 -2.317 1.00 0.00 N ATOM 31 CA GLU A 3 3.404 3.932 -3.535 1.00 0.00 C ATOM 32 C GLU A 3 1.989 4.494 -3.602 1.00 0.00 C ATOM 33 O GLU A 3 1.786 5.647 -3.981 1.00 0.00 O ATOM 34 CB GLU A 3 3.679 3.068 -4.768 1.00 0.00 C ATOM 35 CG GLU A 3 5.141 2.689 -4.957 1.00 0.00 C ATOM 36 CD GLU A 3 6.044 3.884 -5.078 1.00 0.00 C ATOM 37 OE1 GLU A 3 5.732 4.766 -5.843 1.00 0.00 O ATOM 38 OE2 GLU A 3 7.047 3.917 -4.405 1.00 0.00 O ATOM 39 H GLU A 3 3.707 2.156 -2.382 1.00 0.00 H ATOM 40 HA GLU A 3 4.111 4.763 -3.541 1.00 0.00 H ATOM 41 1HB GLU A 3 3.100 2.146 -4.702 1.00 0.00 H ATOM 42 2HB GLU A 3 3.352 3.596 -5.663 1.00 0.00 H ATOM 43 1HG GLU A 3 5.463 2.089 -4.106 1.00 0.00 H ATOM 44 2HG GLU A 3 5.234 2.077 -5.853 1.00 0.00 H ATOM 45 N ALA A 4 1.015 3.672 -3.230 1.00 0.00 N ATOM 46 CA ALA A 4 -0.382 4.091 -3.226 1.00 0.00 C ATOM 47 C ALA A 4 -0.601 5.265 -2.279 1.00 0.00 C ATOM 48 O ALA A 4 -1.329 6.205 -2.598 1.00 0.00 O ATOM 49 CB ALA A 4 -1.284 2.927 -2.843 1.00 0.00 C ATOM 50 H ALA A 4 1.246 2.731 -2.943 1.00 0.00 H ATOM 51 HA ALA A 4 -0.653 4.402 -4.235 1.00 0.00 H ATOM 52 1HB ALA A 4 -2.323 3.256 -2.844 1.00 0.00 H ATOM 53 2HB ALA A 4 -1.159 2.118 -3.562 1.00 0.00 H ATOM 54 3HB ALA A 4 -1.018 2.573 -1.849 1.00 0.00 H ATOM 55 N LEU A 5 0.033 5.205 -1.113 1.00 0.00 N ATOM 56 CA LEU A 5 -0.084 6.267 -0.121 1.00 0.00 C ATOM 57 C LEU A 5 0.453 7.586 -0.661 1.00 0.00 C ATOM 58 O LEU A 5 -0.189 8.627 -0.532 1.00 0.00 O ATOM 59 CB LEU A 5 0.673 5.885 1.157 1.00 0.00 C ATOM 60 CG LEU A 5 0.616 6.911 2.296 1.00 0.00 C ATOM 61 CD1 LEU A 5 -0.818 7.041 2.792 1.00 0.00 C ATOM 62 CD2 LEU A 5 1.546 6.476 3.419 1.00 0.00 C ATOM 63 H LEU A 5 0.611 4.401 -0.909 1.00 0.00 H ATOM 64 HA LEU A 5 -1.138 6.394 0.127 1.00 0.00 H ATOM 65 1HB LEU A 5 0.265 4.948 1.535 1.00 0.00 H ATOM 66 2HB LEU A 5 1.721 5.726 0.906 1.00 0.00 H ATOM 67 HG LEU A 5 0.929 7.886 1.923 1.00 0.00 H ATOM 68 1HD1 LEU A 5 -0.858 7.770 3.601 1.00 0.00 H ATOM 69 2HD1 LEU A 5 -1.458 7.372 1.974 1.00 0.00 H ATOM 70 3HD1 LEU A 5 -1.165 6.075 3.157 1.00 0.00 H ATOM 71 1HD2 LEU A 5 1.506 7.206 4.228 1.00 0.00 H ATOM 72 2HD2 LEU A 5 1.233 5.501 3.793 1.00 0.00 H ATOM 73 3HD2 LEU A 5 2.566 6.409 3.040 1.00 0.00 H ATOM 74 N LYS A 6 1.635 7.534 -1.266 1.00 0.00 N ATOM 75 CA LYS A 6 2.257 8.725 -1.834 1.00 0.00 C ATOM 76 C LYS A 6 1.393 9.327 -2.934 1.00 0.00 C ATOM 77 O LYS A 6 1.259 10.546 -3.034 1.00 0.00 O ATOM 78 CB LYS A 6 3.647 8.394 -2.379 1.00 0.00 C ATOM 79 CG LYS A 6 4.698 8.134 -1.308 1.00 0.00 C ATOM 80 CD LYS A 6 6.083 7.980 -1.918 1.00 0.00 C ATOM 81 CE LYS A 6 6.222 6.651 -2.647 1.00 0.00 C ATOM 82 NZ LYS A 6 7.618 6.411 -3.103 1.00 0.00 N ATOM 83 H LYS A 6 2.115 6.649 -1.334 1.00 0.00 H ATOM 84 HA LYS A 6 2.379 9.464 -1.041 1.00 0.00 H ATOM 85 1HB LYS A 6 3.589 7.508 -3.012 1.00 0.00 H ATOM 86 2HB LYS A 6 3.999 9.218 -3.001 1.00 0.00 H ATOM 87 1HG LYS A 6 4.712 8.966 -0.602 1.00 0.00 H ATOM 88 2HG LYS A 6 4.446 7.224 -0.764 1.00 0.00 H ATOM 89 1HD LYS A 6 6.263 8.792 -2.623 1.00 0.00 H ATOM 90 2HD LYS A 6 6.835 8.032 -1.131 1.00 0.00 H ATOM 91 1HE LYS A 6 5.925 5.840 -1.984 1.00 0.00 H ATOM 92 2HE LYS A 6 5.563 6.642 -3.515 1.00 0.00 H ATOM 93 1HZ LYS A 6 7.668 5.522 -3.581 1.00 0.00 H ATOM 94 2HZ LYS A 6 7.899 7.149 -3.734 1.00 0.00 H ATOM 95 3HZ LYS A 6 8.236 6.398 -2.305 1.00 0.00 H ATOM 96 N LEU A 7 0.808 8.464 -3.758 1.00 0.00 N ATOM 97 CA LEU A 7 -0.023 8.910 -4.870 1.00 0.00 C ATOM 98 C LEU A 7 -1.260 9.645 -4.373 1.00 0.00 C ATOM 99 O LEU A 7 -1.660 10.662 -4.940 1.00 0.00 O ATOM 100 CB LEU A 7 -0.444 7.713 -5.731 1.00 0.00 C ATOM 101 CG LEU A 7 0.663 7.091 -6.592 1.00 0.00 C ATOM 102 CD1 LEU A 7 0.196 5.743 -7.124 1.00 0.00 C ATOM 103 CD2 LEU A 7 1.013 8.037 -7.731 1.00 0.00 C ATOM 104 H LEU A 7 0.942 7.474 -3.612 1.00 0.00 H ATOM 105 HA LEU A 7 0.563 9.592 -5.489 1.00 0.00 H ATOM 106 1HB LEU A 7 -0.832 6.934 -5.077 1.00 0.00 H ATOM 107 2HB LEU A 7 -1.245 8.030 -6.399 1.00 0.00 H ATOM 108 HG LEU A 7 1.548 6.919 -5.978 1.00 0.00 H ATOM 109 1HD1 LEU A 7 0.983 5.301 -7.736 1.00 0.00 H ATOM 110 2HD1 LEU A 7 -0.029 5.080 -6.289 1.00 0.00 H ATOM 111 3HD1 LEU A 7 -0.699 5.882 -7.730 1.00 0.00 H ATOM 112 1HD2 LEU A 7 1.801 7.596 -8.342 1.00 0.00 H ATOM 113 2HD2 LEU A 7 0.130 8.209 -8.346 1.00 0.00 H ATOM 114 3HD2 LEU A 7 1.361 8.986 -7.322 1.00 0.00 H ATOM 115 N VAL A 8 -1.864 9.124 -3.310 1.00 0.00 N ATOM 116 CA VAL A 8 -3.026 9.760 -2.701 1.00 0.00 C ATOM 117 C VAL A 8 -2.682 11.145 -2.171 1.00 0.00 C ATOM 118 O VAL A 8 -3.440 12.098 -2.355 1.00 0.00 O ATOM 119 CB VAL A 8 -3.568 8.892 -1.549 1.00 0.00 C ATOM 120 CG1 VAL A 8 -4.614 9.657 -0.753 1.00 0.00 C ATOM 121 CG2 VAL A 8 -4.148 7.600 -2.103 1.00 0.00 C ATOM 122 H VAL A 8 -1.510 8.265 -2.914 1.00 0.00 H ATOM 123 HA VAL A 8 -3.804 9.859 -3.460 1.00 0.00 H ATOM 124 HB VAL A 8 -2.750 8.661 -0.866 1.00 0.00 H ATOM 125 1HG1 VAL A 8 -4.986 9.029 0.057 1.00 0.00 H ATOM 126 2HG1 VAL A 8 -4.167 10.559 -0.336 1.00 0.00 H ATOM 127 3HG1 VAL A 8 -5.442 9.930 -1.408 1.00 0.00 H ATOM 128 1HG2 VAL A 8 -4.528 6.991 -1.283 1.00 0.00 H ATOM 129 2HG2 VAL A 8 -4.962 7.832 -2.790 1.00 0.00 H ATOM 130 3HG2 VAL A 8 -3.371 7.049 -2.633 1.00 0.00 H ATOM 131 N GLU A 9 -1.534 11.251 -1.511 1.00 0.00 N ATOM 132 CA GLU A 9 -1.085 12.522 -0.954 1.00 0.00 C ATOM 133 C GLU A 9 -0.925 13.576 -2.043 1.00 0.00 C ATOM 134 O GLU A 9 -1.389 14.706 -1.900 1.00 0.00 O ATOM 135 CB GLU A 9 0.239 12.340 -0.209 1.00 0.00 C ATOM 136 CG GLU A 9 0.123 11.574 1.101 1.00 0.00 C ATOM 137 CD GLU A 9 1.449 11.368 1.779 1.00 0.00 C ATOM 138 OE1 GLU A 9 2.449 11.735 1.209 1.00 0.00 O ATOM 139 OE2 GLU A 9 1.463 10.843 2.867 1.00 0.00 O ATOM 140 H GLU A 9 -0.956 10.432 -1.392 1.00 0.00 H ATOM 141 HA GLU A 9 -1.832 12.870 -0.239 1.00 0.00 H ATOM 142 1HB GLU A 9 0.945 11.807 -0.846 1.00 0.00 H ATOM 143 2HB GLU A 9 0.670 13.316 0.012 1.00 0.00 H ATOM 144 1HG GLU A 9 -0.534 12.123 1.775 1.00 0.00 H ATOM 145 2HG GLU A 9 -0.333 10.605 0.904 1.00 0.00 H ATOM 146 N GLU A 10 -0.265 13.197 -3.133 1.00 0.00 N ATOM 147 CA GLU A 10 -0.023 14.115 -4.239 1.00 0.00 C ATOM 148 C GLU A 10 -1.328 14.538 -4.900 1.00 0.00 C ATOM 149 O GLU A 10 -1.549 15.721 -5.159 1.00 0.00 O ATOM 150 CB GLU A 10 0.899 13.470 -5.276 1.00 0.00 C ATOM 151 CG GLU A 10 1.225 14.359 -6.468 1.00 0.00 C ATOM 152 CD GLU A 10 2.084 13.672 -7.493 1.00 0.00 C ATOM 153 OE1 GLU A 10 2.773 12.747 -7.139 1.00 0.00 O ATOM 154 OE2 GLU A 10 2.050 14.074 -8.632 1.00 0.00 O ATOM 155 H GLU A 10 0.077 12.248 -3.196 1.00 0.00 H ATOM 156 HA GLU A 10 0.476 15.003 -3.848 1.00 0.00 H ATOM 157 1HB GLU A 10 1.840 13.189 -4.802 1.00 0.00 H ATOM 158 2HB GLU A 10 0.438 12.558 -5.656 1.00 0.00 H ATOM 159 1HG GLU A 10 0.294 14.671 -6.941 1.00 0.00 H ATOM 160 2HG GLU A 10 1.736 15.253 -6.112 1.00 0.00 H ATOM 161 N LEU A 11 -2.191 13.565 -5.170 1.00 0.00 N ATOM 162 CA LEU A 11 -3.458 13.828 -5.843 1.00 0.00 C ATOM 163 C LEU A 11 -4.366 14.701 -4.986 1.00 0.00 C ATOM 164 O LEU A 11 -5.079 15.564 -5.499 1.00 0.00 O ATOM 165 CB LEU A 11 -4.167 12.509 -6.173 1.00 0.00 C ATOM 166 CG LEU A 11 -3.505 11.651 -7.258 1.00 0.00 C ATOM 167 CD1 LEU A 11 -4.097 10.248 -7.229 1.00 0.00 C ATOM 168 CD2 LEU A 11 -3.709 12.303 -8.617 1.00 0.00 C ATOM 169 H LEU A 11 -1.965 12.618 -4.903 1.00 0.00 H ATOM 170 HA LEU A 11 -3.250 14.352 -6.777 1.00 0.00 H ATOM 171 1HB LEU A 11 -4.225 11.910 -5.266 1.00 0.00 H ATOM 172 2HB LEU A 11 -5.182 12.733 -6.501 1.00 0.00 H ATOM 173 HG LEU A 11 -2.437 11.565 -7.053 1.00 0.00 H ATOM 174 1HD1 LEU A 11 -3.626 9.638 -8.000 1.00 0.00 H ATOM 175 2HD1 LEU A 11 -3.920 9.798 -6.252 1.00 0.00 H ATOM 176 3HD1 LEU A 11 -5.169 10.303 -7.415 1.00 0.00 H ATOM 177 1HD2 LEU A 11 -3.238 11.693 -9.388 1.00 0.00 H ATOM 178 2HD2 LEU A 11 -4.776 12.387 -8.824 1.00 0.00 H ATOM 179 3HD2 LEU A 11 -3.260 13.296 -8.615 1.00 0.00 H ATOM 180 N ALA A 12 -4.335 14.471 -3.677 1.00 0.00 N ATOM 181 CA ALA A 12 -5.094 15.288 -2.738 1.00 0.00 C ATOM 182 C ALA A 12 -4.648 16.743 -2.787 1.00 0.00 C ATOM 183 O ALA A 12 -5.473 17.657 -2.747 1.00 0.00 O ATOM 184 CB ALA A 12 -4.955 14.740 -1.326 1.00 0.00 C ATOM 185 H ALA A 12 -3.771 13.711 -3.324 1.00 0.00 H ATOM 186 HA ALA A 12 -6.150 15.236 -3.010 1.00 0.00 H ATOM 187 1HB ALA A 12 -5.527 15.360 -0.636 1.00 0.00 H ATOM 188 2HB ALA A 12 -5.332 13.718 -1.293 1.00 0.00 H ATOM 189 3HB ALA A 12 -3.905 14.748 -1.035 1.00 0.00 H ATOM 190 N ARG A 13 -3.339 16.952 -2.875 1.00 0.00 N ATOM 191 CA ARG A 13 -2.783 18.296 -2.979 1.00 0.00 C ATOM 192 C ARG A 13 -3.181 18.957 -4.292 1.00 0.00 C ATOM 193 O ARG A 13 -3.305 20.179 -4.372 1.00 0.00 O ATOM 194 CB ARG A 13 -1.266 18.257 -2.874 1.00 0.00 C ATOM 195 CG ARG A 13 -0.729 17.972 -1.480 1.00 0.00 C ATOM 196 CD ARG A 13 0.707 18.333 -1.361 1.00 0.00 C ATOM 197 NE ARG A 13 1.540 17.547 -2.257 1.00 0.00 N ATOM 198 CZ ARG A 13 2.067 16.345 -1.954 1.00 0.00 C ATOM 199 NH1 ARG A 13 1.840 15.805 -0.777 1.00 0.00 N ATOM 200 NH2 ARG A 13 2.813 15.708 -2.840 1.00 0.00 N ATOM 201 H ARG A 13 -2.713 16.161 -2.870 1.00 0.00 H ATOM 202 HA ARG A 13 -3.171 18.896 -2.155 1.00 0.00 H ATOM 203 1HB ARG A 13 -0.875 17.491 -3.541 1.00 0.00 H ATOM 204 2HB ARG A 13 -0.854 19.214 -3.197 1.00 0.00 H ATOM 205 1HG ARG A 13 -1.290 18.553 -0.748 1.00 0.00 H ATOM 206 2HG ARG A 13 -0.835 16.910 -1.259 1.00 0.00 H ATOM 207 1HD ARG A 13 0.840 19.385 -1.608 1.00 0.00 H ATOM 208 2HD ARG A 13 1.043 18.155 -0.340 1.00 0.00 H ATOM 209 HE ARG A 13 1.737 17.929 -3.172 1.00 0.00 H ATOM 210 1HH1 ARG A 13 1.270 16.291 -0.100 1.00 0.00 H ATOM 211 2HH1 ARG A 13 2.236 14.904 -0.550 1.00 0.00 H ATOM 212 1HH2 ARG A 13 2.988 16.123 -3.745 1.00 0.00 H ATOM 213 2HH2 ARG A 13 3.208 14.808 -2.613 1.00 0.00 H ATOM 214 N ARG A 14 -3.380 18.141 -5.323 1.00 0.00 N ATOM 215 CA ARG A 14 -3.792 18.643 -6.628 1.00 0.00 C ATOM 216 C ARG A 14 -5.279 18.975 -6.647 1.00 0.00 C ATOM 217 O ARG A 14 -5.807 19.449 -7.652 1.00 0.00 O ATOM 218 CB ARG A 14 -3.489 17.621 -7.714 1.00 0.00 C ATOM 219 CG ARG A 14 -2.012 17.430 -8.019 1.00 0.00 C ATOM 220 CD ARG A 14 -1.797 16.419 -9.086 1.00 0.00 C ATOM 221 NE ARG A 14 -0.384 16.190 -9.339 1.00 0.00 N ATOM 222 CZ ARG A 14 0.385 16.957 -10.136 1.00 0.00 C ATOM 223 NH1 ARG A 14 -0.136 17.997 -10.749 1.00 0.00 N ATOM 224 NH2 ARG A 14 1.663 16.663 -10.302 1.00 0.00 N ATOM 225 H ARG A 14 -3.242 17.149 -5.199 1.00 0.00 H ATOM 226 HA ARG A 14 -3.228 19.551 -6.844 1.00 0.00 H ATOM 227 1HB ARG A 14 -3.893 16.652 -7.424 1.00 0.00 H ATOM 228 2HB ARG A 14 -3.982 17.917 -8.640 1.00 0.00 H ATOM 229 1HG ARG A 14 -1.584 18.376 -8.351 1.00 0.00 H ATOM 230 2HG ARG A 14 -1.495 17.094 -7.119 1.00 0.00 H ATOM 231 1HD ARG A 14 -2.248 15.474 -8.787 1.00 0.00 H ATOM 232 2HD ARG A 14 -2.258 16.764 -10.011 1.00 0.00 H ATOM 233 HE ARG A 14 0.052 15.398 -8.885 1.00 0.00 H ATOM 234 1HH1 ARG A 14 -1.113 18.221 -10.622 1.00 0.00 H ATOM 235 2HH1 ARG A 14 0.441 18.571 -11.347 1.00 0.00 H ATOM 236 1HH2 ARG A 14 2.063 15.864 -9.831 1.00 0.00 H ATOM 237 2HH2 ARG A 14 2.239 17.238 -10.899 1.00 0.00 H ATOM 238 N GLY A 15 -5.950 18.721 -5.528 1.00 0.00 N ATOM 239 CA GLY A 15 -7.356 19.077 -5.381 1.00 0.00 C ATOM 240 C GLY A 15 -8.259 18.030 -6.020 1.00 0.00 C ATOM 241 O GLY A 15 -9.357 18.342 -6.482 1.00 0.00 O ATOM 242 H GLY A 15 -5.474 18.271 -4.760 1.00 0.00 H ATOM 243 1HA GLY A 15 -7.598 19.175 -4.323 1.00 0.00 H ATOM 244 2HA GLY A 15 -7.536 20.048 -5.843 1.00 0.00 H ATOM 245 N VAL A 16 -7.791 16.787 -6.042 1.00 0.00 N ATOM 246 CA VAL A 16 -8.576 15.682 -6.581 1.00 0.00 C ATOM 247 C VAL A 16 -9.622 15.210 -5.580 1.00 0.00 C ATOM 248 O VAL A 16 -9.296 14.850 -4.449 1.00 0.00 O ATOM 249 CB VAL A 16 -7.657 14.503 -6.951 1.00 0.00 C ATOM 250 CG1 VAL A 16 -8.481 13.308 -7.408 1.00 0.00 C ATOM 251 CG2 VAL A 16 -6.679 14.930 -8.036 1.00 0.00 C ATOM 252 H VAL A 16 -6.869 16.602 -5.676 1.00 0.00 H ATOM 253 HA VAL A 16 -9.084 16.027 -7.482 1.00 0.00 H ATOM 254 HB VAL A 16 -7.104 14.192 -6.064 1.00 0.00 H ATOM 255 1HG1 VAL A 16 -7.815 12.484 -7.665 1.00 0.00 H ATOM 256 2HG1 VAL A 16 -9.147 12.997 -6.603 1.00 0.00 H ATOM 257 3HG1 VAL A 16 -9.069 13.585 -8.282 1.00 0.00 H ATOM 258 1HG2 VAL A 16 -6.032 14.091 -8.292 1.00 0.00 H ATOM 259 2HG2 VAL A 16 -7.232 15.246 -8.920 1.00 0.00 H ATOM 260 3HG2 VAL A 16 -6.072 15.759 -7.672 1.00 0.00 H ATOM 261 N GLU A 17 -10.881 15.211 -6.004 1.00 0.00 N ATOM 262 CA GLU A 17 -11.996 14.967 -5.096 1.00 0.00 C ATOM 263 C GLU A 17 -11.983 13.534 -4.581 1.00 0.00 C ATOM 264 O GLU A 17 -12.268 13.281 -3.410 1.00 0.00 O ATOM 265 CB GLU A 17 -13.326 15.256 -5.794 1.00 0.00 C ATOM 266 CG GLU A 17 -13.571 16.727 -6.097 1.00 0.00 C ATOM 267 CD GLU A 17 -14.856 16.966 -6.840 1.00 0.00 C ATOM 268 OE1 GLU A 17 -15.473 16.009 -7.244 1.00 0.00 O ATOM 269 OE2 GLU A 17 -15.222 18.106 -7.003 1.00 0.00 O ATOM 270 H GLU A 17 -11.072 15.386 -6.980 1.00 0.00 H ATOM 271 HA GLU A 17 -11.905 15.644 -4.245 1.00 0.00 H ATOM 272 1HB GLU A 17 -13.369 14.709 -6.736 1.00 0.00 H ATOM 273 2HB GLU A 17 -14.148 14.901 -5.172 1.00 0.00 H ATOM 274 1HG GLU A 17 -13.599 17.281 -5.158 1.00 0.00 H ATOM 275 2HG GLU A 17 -12.739 17.109 -6.687 1.00 0.00 H ATOM 276 N ARG A 18 -11.648 12.597 -5.461 1.00 0.00 N ATOM 277 CA ARG A 18 -11.665 11.180 -5.118 1.00 0.00 C ATOM 278 C ARG A 18 -10.491 10.445 -5.750 1.00 0.00 C ATOM 279 O ARG A 18 -10.201 10.621 -6.934 1.00 0.00 O ATOM 280 CB ARG A 18 -12.966 10.535 -5.572 1.00 0.00 C ATOM 281 CG ARG A 18 -13.129 9.076 -5.176 1.00 0.00 C ATOM 282 CD ARG A 18 -14.515 8.595 -5.408 1.00 0.00 C ATOM 283 NE ARG A 18 -14.679 7.204 -5.015 1.00 0.00 N ATOM 284 CZ ARG A 18 -15.841 6.525 -5.073 1.00 0.00 C ATOM 285 NH1 ARG A 18 -16.929 7.120 -5.509 1.00 0.00 N ATOM 286 NH2 ARG A 18 -15.888 5.260 -4.692 1.00 0.00 N ATOM 287 H ARG A 18 -11.375 12.873 -6.394 1.00 0.00 H ATOM 288 HA ARG A 18 -11.592 11.086 -4.033 1.00 0.00 H ATOM 289 1HB ARG A 18 -13.809 11.085 -5.156 1.00 0.00 H ATOM 290 2HB ARG A 18 -13.042 10.592 -6.658 1.00 0.00 H ATOM 291 1HG ARG A 18 -12.449 8.461 -5.766 1.00 0.00 H ATOM 292 2HG ARG A 18 -12.898 8.958 -4.117 1.00 0.00 H ATOM 293 1HD ARG A 18 -15.211 9.198 -4.826 1.00 0.00 H ATOM 294 2HD ARG A 18 -14.757 8.681 -6.466 1.00 0.00 H ATOM 295 HE ARG A 18 -13.864 6.712 -4.674 1.00 0.00 H ATOM 296 1HH1 ARG A 18 -16.894 8.087 -5.801 1.00 0.00 H ATOM 297 2HH1 ARG A 18 -17.800 6.612 -5.553 1.00 0.00 H ATOM 298 1HH2 ARG A 18 -15.051 4.803 -4.357 1.00 0.00 H ATOM 299 2HH2 ARG A 18 -16.758 4.752 -4.736 1.00 0.00 H ATOM 300 N VAL A 19 -9.816 9.622 -4.954 1.00 0.00 N ATOM 301 CA VAL A 19 -8.712 8.809 -5.452 1.00 0.00 C ATOM 302 C VAL A 19 -8.946 7.331 -5.171 1.00 0.00 C ATOM 303 O VAL A 19 -9.185 6.936 -4.030 1.00 0.00 O ATOM 304 CB VAL A 19 -7.388 9.250 -4.800 1.00 0.00 C ATOM 305 CG1 VAL A 19 -6.242 8.371 -5.277 1.00 0.00 C ATOM 306 CG2 VAL A 19 -7.116 10.712 -5.118 1.00 0.00 C ATOM 307 H VAL A 19 -10.075 9.558 -3.981 1.00 0.00 H ATOM 308 HA VAL A 19 -8.635 8.952 -6.531 1.00 0.00 H ATOM 309 HB VAL A 19 -7.465 9.120 -3.721 1.00 0.00 H ATOM 310 1HG1 VAL A 19 -5.313 8.697 -4.806 1.00 0.00 H ATOM 311 2HG1 VAL A 19 -6.441 7.334 -5.007 1.00 0.00 H ATOM 312 3HG1 VAL A 19 -6.146 8.454 -6.360 1.00 0.00 H ATOM 313 1HG2 VAL A 19 -6.179 11.017 -4.654 1.00 0.00 H ATOM 314 2HG2 VAL A 19 -7.045 10.843 -6.198 1.00 0.00 H ATOM 315 3HG2 VAL A 19 -7.929 11.326 -4.731 1.00 0.00 H ATOM 316 N ILE A 20 -8.878 6.517 -6.219 1.00 0.00 N ATOM 317 CA ILE A 20 -9.038 5.074 -6.080 1.00 0.00 C ATOM 318 C ILE A 20 -7.792 4.333 -6.547 1.00 0.00 C ATOM 319 O ILE A 20 -7.534 4.228 -7.747 1.00 0.00 O ATOM 320 CB ILE A 20 -10.259 4.577 -6.875 1.00 0.00 C ATOM 321 CG1 ILE A 20 -11.523 5.318 -6.430 1.00 0.00 C ATOM 322 CG2 ILE A 20 -10.430 3.075 -6.703 1.00 0.00 C ATOM 323 CD1 ILE A 20 -12.716 5.085 -7.330 1.00 0.00 C ATOM 324 H ILE A 20 -8.711 6.907 -7.135 1.00 0.00 H ATOM 325 HA ILE A 20 -9.206 4.844 -5.027 1.00 0.00 H ATOM 326 HB ILE A 20 -10.120 4.799 -7.932 1.00 0.00 H ATOM 327 1HG1 ILE A 20 -11.791 5.007 -5.421 1.00 0.00 H ATOM 328 2HG1 ILE A 20 -11.325 6.390 -6.400 1.00 0.00 H ATOM 329 1HG2 ILE A 20 -11.298 2.741 -7.271 1.00 0.00 H ATOM 330 2HG2 ILE A 20 -9.540 2.564 -7.067 1.00 0.00 H ATOM 331 3HG2 ILE A 20 -10.576 2.844 -5.648 1.00 0.00 H ATOM 332 1HD1 ILE A 20 -13.572 5.643 -6.950 1.00 0.00 H ATOM 333 2HD1 ILE A 20 -12.481 5.422 -8.340 1.00 0.00 H ATOM 334 3HD1 ILE A 20 -12.955 4.022 -7.348 1.00 0.00 H ATOM 335 N ILE A 21 -7.019 3.823 -5.594 1.00 0.00 N ATOM 336 CA ILE A 21 -5.767 3.143 -5.903 1.00 0.00 C ATOM 337 C ILE A 21 -5.655 1.826 -5.148 1.00 0.00 C ATOM 338 O ILE A 21 -5.734 1.794 -3.920 1.00 0.00 O ATOM 339 CB ILE A 21 -4.560 4.036 -5.562 1.00 0.00 C ATOM 340 CG1 ILE A 21 -4.598 5.324 -6.389 1.00 0.00 C ATOM 341 CG2 ILE A 21 -3.259 3.285 -5.801 1.00 0.00 C ATOM 342 CD1 ILE A 21 -3.577 6.354 -5.961 1.00 0.00 C ATOM 343 H ILE A 21 -7.309 3.908 -4.630 1.00 0.00 H ATOM 344 HA ILE A 21 -5.741 2.937 -6.973 1.00 0.00 H ATOM 345 HB ILE A 21 -4.611 4.332 -4.515 1.00 0.00 H ATOM 346 1HG1 ILE A 21 -4.426 5.088 -7.438 1.00 0.00 H ATOM 347 2HG1 ILE A 21 -5.588 5.775 -6.314 1.00 0.00 H ATOM 348 1HG2 ILE A 21 -2.416 3.930 -5.556 1.00 0.00 H ATOM 349 2HG2 ILE A 21 -3.231 2.397 -5.171 1.00 0.00 H ATOM 350 3HG2 ILE A 21 -3.197 2.988 -6.848 1.00 0.00 H ATOM 351 1HD1 ILE A 21 -3.666 7.238 -6.593 1.00 0.00 H ATOM 352 2HD1 ILE A 21 -3.754 6.632 -4.921 1.00 0.00 H ATOM 353 3HD1 ILE A 21 -2.576 5.937 -6.061 1.00 0.00 H ATOM 354 N ASN A 22 -5.468 0.739 -5.889 1.00 0.00 N ATOM 355 CA ASN A 22 -5.220 -0.565 -5.286 1.00 0.00 C ATOM 356 C ASN A 22 -6.292 -0.912 -4.261 1.00 0.00 C ATOM 357 O ASN A 22 -5.999 -1.480 -3.209 1.00 0.00 O ATOM 358 CB ASN A 22 -3.842 -0.607 -4.653 1.00 0.00 C ATOM 359 CG ASN A 22 -2.737 -0.481 -5.664 1.00 0.00 C ATOM 360 OD1 ASN A 22 -2.901 -0.855 -6.831 1.00 0.00 O ATOM 361 ND2 ASN A 22 -1.613 0.038 -5.240 1.00 0.00 N ATOM 362 H ASN A 22 -5.500 0.819 -6.895 1.00 0.00 H ATOM 363 HA ASN A 22 -5.266 -1.323 -6.070 1.00 0.00 H ATOM 364 1HB ASN A 22 -3.749 0.203 -3.928 1.00 0.00 H ATOM 365 2HB ASN A 22 -3.718 -1.546 -4.112 1.00 0.00 H ATOM 366 1HD2 ASN A 22 -0.843 0.147 -5.869 1.00 0.00 H ATOM 367 2HD2 ASN A 22 -1.524 0.327 -4.287 1.00 0.00 H ATOM 368 N GLY A 23 -7.537 -0.566 -4.574 1.00 0.00 N ATOM 369 CA GLY A 23 -8.676 -0.996 -3.773 1.00 0.00 C ATOM 370 C GLY A 23 -8.976 0.002 -2.662 1.00 0.00 C ATOM 371 O GLY A 23 -9.971 -0.128 -1.950 1.00 0.00 O ATOM 372 H GLY A 23 -7.697 0.009 -5.389 1.00 0.00 H ATOM 373 1HA GLY A 23 -9.551 -1.107 -4.414 1.00 0.00 H ATOM 374 2HA GLY A 23 -8.469 -1.975 -3.341 1.00 0.00 H ATOM 375 N TRP A 24 -8.109 0.998 -2.518 1.00 0.00 N ATOM 376 CA TRP A 24 -8.287 2.030 -1.504 1.00 0.00 C ATOM 377 C TRP A 24 -9.112 3.193 -2.040 1.00 0.00 C ATOM 378 O TRP A 24 -8.852 3.699 -3.132 1.00 0.00 O ATOM 379 CB TRP A 24 -6.930 2.542 -1.020 1.00 0.00 C ATOM 380 CG TRP A 24 -6.170 1.544 -0.201 1.00 0.00 C ATOM 381 CD1 TRP A 24 -5.138 0.760 -0.622 1.00 0.00 C ATOM 382 CD2 TRP A 24 -6.380 1.215 1.194 1.00 0.00 C ATOM 383 NE1 TRP A 24 -4.693 -0.031 0.408 1.00 0.00 N ATOM 384 CE2 TRP A 24 -5.441 0.235 1.527 1.00 0.00 C ATOM 385 CE3 TRP A 24 -7.276 1.667 2.171 1.00 0.00 C ATOM 386 CZ2 TRP A 24 -5.369 -0.308 2.801 1.00 0.00 C ATOM 387 CZ3 TRP A 24 -7.202 1.123 3.448 1.00 0.00 C ATOM 388 CH2 TRP A 24 -6.273 0.162 3.754 1.00 0.00 C ATOM 389 H TRP A 24 -7.305 1.041 -3.128 1.00 0.00 H ATOM 390 HA TRP A 24 -8.813 1.592 -0.654 1.00 0.00 H ATOM 391 1HB TRP A 24 -6.317 2.817 -1.880 1.00 0.00 H ATOM 392 2HB TRP A 24 -7.073 3.441 -0.420 1.00 0.00 H ATOM 393 HD1 TRP A 24 -4.725 0.762 -1.629 1.00 0.00 H ATOM 394 HE1 TRP A 24 -3.940 -0.701 0.353 1.00 0.00 H ATOM 395 HE3 TRP A 24 -8.014 2.432 1.934 1.00 0.00 H ATOM 396 HZ2 TRP A 24 -4.638 -1.073 3.063 1.00 0.00 H ATOM 397 HZ3 TRP A 24 -7.904 1.480 4.202 1.00 0.00 H ATOM 398 HH2 TRP A 24 -6.242 -0.243 4.766 1.00 0.00 H ATOM 399 N HIS A 25 -10.108 3.612 -1.267 1.00 0.00 N ATOM 400 CA HIS A 25 -10.982 4.707 -1.670 1.00 0.00 C ATOM 401 C HIS A 25 -10.819 5.909 -0.748 1.00 0.00 C ATOM 402 O HIS A 25 -11.228 5.874 0.412 1.00 0.00 O ATOM 403 CB HIS A 25 -12.446 4.257 -1.678 1.00 0.00 C ATOM 404 CG HIS A 25 -12.754 3.230 -2.723 1.00 0.00 C ATOM 405 ND1 HIS A 25 -13.455 3.527 -3.873 1.00 0.00 N ATOM 406 CD2 HIS A 25 -12.458 1.911 -2.792 1.00 0.00 C ATOM 407 CE1 HIS A 25 -13.576 2.433 -4.605 1.00 0.00 C ATOM 408 NE2 HIS A 25 -12.980 1.440 -3.971 1.00 0.00 N ATOM 409 H HIS A 25 -10.263 3.160 -0.378 1.00 0.00 H ATOM 410 HA HIS A 25 -10.717 5.006 -2.685 1.00 0.00 H ATOM 411 1HB HIS A 25 -12.704 3.840 -0.703 1.00 0.00 H ATOM 412 2HB HIS A 25 -13.091 5.119 -1.846 1.00 0.00 H ATOM 413 HD2 HIS A 25 -11.908 1.331 -2.050 1.00 0.00 H ATOM 414 HE1 HIS A 25 -14.081 2.363 -5.568 1.00 0.00 H ATOM 415 HE2 HIS A 25 -12.915 0.486 -4.296 1.00 0.00 H ATOM 416 N VAL A 26 -10.219 6.974 -1.272 1.00 0.00 N ATOM 417 CA VAL A 26 -9.960 8.172 -0.483 1.00 0.00 C ATOM 418 C VAL A 26 -10.691 9.378 -1.058 1.00 0.00 C ATOM 419 O VAL A 26 -10.568 9.682 -2.245 1.00 0.00 O ATOM 420 CB VAL A 26 -8.448 8.464 -0.436 1.00 0.00 C ATOM 421 CG1 VAL A 26 -8.179 9.754 0.323 1.00 0.00 C ATOM 422 CG2 VAL A 26 -7.715 7.297 0.206 1.00 0.00 C ATOM 423 H VAL A 26 -9.936 6.951 -2.241 1.00 0.00 H ATOM 424 HA VAL A 26 -10.315 8.001 0.534 1.00 0.00 H ATOM 425 HB VAL A 26 -8.084 8.608 -1.454 1.00 0.00 H ATOM 426 1HG1 VAL A 26 -7.105 9.946 0.346 1.00 0.00 H ATOM 427 2HG1 VAL A 26 -8.684 10.582 -0.175 1.00 0.00 H ATOM 428 3HG1 VAL A 26 -8.551 9.661 1.343 1.00 0.00 H ATOM 429 1HG2 VAL A 26 -6.646 7.510 0.235 1.00 0.00 H ATOM 430 2HG2 VAL A 26 -8.083 7.149 1.221 1.00 0.00 H ATOM 431 3HG2 VAL A 26 -7.888 6.392 -0.378 1.00 0.00 H ATOM 432 N VAL A 27 -11.450 10.063 -0.211 1.00 0.00 N ATOM 433 CA VAL A 27 -12.180 11.255 -0.627 1.00 0.00 C ATOM 434 C VAL A 27 -11.665 12.496 0.093 1.00 0.00 C ATOM 435 O VAL A 27 -11.383 12.457 1.291 1.00 0.00 O ATOM 436 CB VAL A 27 -13.684 11.087 -0.343 1.00 0.00 C ATOM 437 CG1 VAL A 27 -14.265 9.968 -1.194 1.00 0.00 C ATOM 438 CG2 VAL A 27 -13.904 10.810 1.136 1.00 0.00 C ATOM 439 H VAL A 27 -11.526 9.750 0.746 1.00 0.00 H ATOM 440 HA VAL A 27 -12.038 11.391 -1.700 1.00 0.00 H ATOM 441 HB VAL A 27 -14.202 12.005 -0.623 1.00 0.00 H ATOM 442 1HG1 VAL A 27 -15.329 9.863 -0.980 1.00 0.00 H ATOM 443 2HG1 VAL A 27 -14.129 10.204 -2.249 1.00 0.00 H ATOM 444 3HG1 VAL A 27 -13.756 9.033 -0.961 1.00 0.00 H ATOM 445 1HG2 VAL A 27 -14.970 10.694 1.330 1.00 0.00 H ATOM 446 2HG2 VAL A 27 -13.381 9.896 1.417 1.00 0.00 H ATOM 447 3HG2 VAL A 27 -13.518 11.644 1.724 1.00 0.00 H ATOM 448 N LEU A 28 -11.543 13.594 -0.644 1.00 0.00 N ATOM 449 CA LEU A 28 -10.997 14.829 -0.094 1.00 0.00 C ATOM 450 C LEU A 28 -12.103 15.831 0.212 1.00 0.00 C ATOM 451 O LEU A 28 -12.836 16.255 -0.681 1.00 0.00 O ATOM 452 CB LEU A 28 -9.993 15.448 -1.074 1.00 0.00 C ATOM 453 CG LEU A 28 -9.411 16.806 -0.662 1.00 0.00 C ATOM 454 CD1 LEU A 28 -8.588 16.642 0.608 1.00 0.00 C ATOM 455 CD2 LEU A 28 -8.562 17.361 -1.796 1.00 0.00 C ATOM 456 H LEU A 28 -11.838 13.574 -1.610 1.00 0.00 H ATOM 457 HA LEU A 28 -10.473 14.593 0.832 1.00 0.00 H ATOM 458 1HB LEU A 28 -9.162 14.757 -1.203 1.00 0.00 H ATOM 459 2HB LEU A 28 -10.484 15.577 -2.039 1.00 0.00 H ATOM 460 HG LEU A 28 -10.224 17.500 -0.445 1.00 0.00 H ATOM 461 1HD1 LEU A 28 -8.175 17.607 0.902 1.00 0.00 H ATOM 462 2HD1 LEU A 28 -9.224 16.262 1.408 1.00 0.00 H ATOM 463 3HD1 LEU A 28 -7.775 15.940 0.426 1.00 0.00 H ATOM 464 1HD2 LEU A 28 -8.149 18.327 -1.503 1.00 0.00 H ATOM 465 2HD2 LEU A 28 -7.748 16.669 -2.013 1.00 0.00 H ATOM 466 3HD2 LEU A 28 -9.180 17.485 -2.686 1.00 0.00 H ATOM 467 N LYS A 29 -12.217 16.209 1.481 1.00 0.00 N ATOM 468 CA LYS A 29 -13.162 17.240 1.891 1.00 0.00 C ATOM 469 C LYS A 29 -12.480 18.308 2.737 1.00 0.00 C ATOM 470 O LYS A 29 -12.642 19.504 2.493 1.00 0.00 O ATOM 471 CB LYS A 29 -14.327 16.622 2.665 1.00 0.00 C ATOM 472 CG LYS A 29 -15.188 15.667 1.849 1.00 0.00 C ATOM 473 CD LYS A 29 -16.352 15.133 2.671 1.00 0.00 C ATOM 474 CE LYS A 29 -17.185 14.141 1.872 1.00 0.00 C ATOM 475 NZ LYS A 29 -18.310 13.587 2.674 1.00 0.00 N ATOM 476 H LYS A 29 -11.635 15.769 2.180 1.00 0.00 H ATOM 477 HA LYS A 29 -13.571 17.711 0.997 1.00 0.00 H ATOM 478 1HB LYS A 29 -13.943 16.073 3.525 1.00 0.00 H ATOM 479 2HB LYS A 29 -14.973 17.414 3.045 1.00 0.00 H ATOM 480 1HG LYS A 29 -15.580 16.188 0.975 1.00 0.00 H ATOM 481 2HG LYS A 29 -14.581 14.830 1.509 1.00 0.00 H ATOM 482 1HD LYS A 29 -15.971 14.639 3.565 1.00 0.00 H ATOM 483 2HD LYS A 29 -16.990 15.962 2.979 1.00 0.00 H ATOM 484 1HE LYS A 29 -17.591 14.633 0.990 1.00 0.00 H ATOM 485 2HE LYS A 29 -16.552 13.317 1.542 1.00 0.00 H ATOM 486 1HZ LYS A 29 -18.836 12.935 2.110 1.00 0.00 H ATOM 487 2HZ LYS A 29 -17.944 13.111 3.486 1.00 0.00 H ATOM 488 3HZ LYS A 29 -18.915 14.340 2.969 1.00 0.00 H ATOM 489 N ASP A 30 -11.714 17.869 3.731 1.00 0.00 N ATOM 490 CA ASP A 30 -10.902 18.778 4.530 1.00 0.00 C ATOM 491 C ASP A 30 -9.609 18.109 4.982 1.00 0.00 C ATOM 492 O ASP A 30 -9.337 16.961 4.629 1.00 0.00 O ATOM 493 CB ASP A 30 -11.685 19.265 5.751 1.00 0.00 C ATOM 494 CG ASP A 30 -12.065 18.136 6.700 1.00 0.00 C ATOM 495 OD1 ASP A 30 -11.514 17.068 6.573 1.00 0.00 O ATOM 496 OD2 ASP A 30 -12.903 18.352 7.543 1.00 0.00 O ATOM 497 H ASP A 30 -11.695 16.881 3.937 1.00 0.00 H ATOM 498 HA ASP A 30 -10.651 19.646 3.920 1.00 0.00 H ATOM 499 1HB ASP A 30 -11.089 19.995 6.299 1.00 0.00 H ATOM 500 2HB ASP A 30 -12.597 19.766 5.423 1.00 0.00 H ATOM 501 N GLU A 31 -8.816 18.833 5.763 1.00 0.00 N ATOM 502 CA GLU A 31 -7.503 18.353 6.177 1.00 0.00 C ATOM 503 C GLU A 31 -7.622 17.166 7.124 1.00 0.00 C ATOM 504 O GLU A 31 -6.845 16.215 7.043 1.00 0.00 O ATOM 505 CB GLU A 31 -6.712 19.477 6.850 1.00 0.00 C ATOM 506 CG GLU A 31 -6.384 20.650 5.936 1.00 0.00 C ATOM 507 CD GLU A 31 -7.554 21.571 5.724 1.00 0.00 C ATOM 508 OE1 GLU A 31 -8.572 21.357 6.336 1.00 0.00 O ATOM 509 OE2 GLU A 31 -7.428 22.489 4.948 1.00 0.00 O ATOM 510 H GLU A 31 -9.131 19.739 6.080 1.00 0.00 H ATOM 511 HA GLU A 31 -6.954 18.038 5.289 1.00 0.00 H ATOM 512 1HB GLU A 31 -7.277 19.862 7.698 1.00 0.00 H ATOM 513 2HB GLU A 31 -5.772 19.081 7.235 1.00 0.00 H ATOM 514 1HG GLU A 31 -5.563 21.218 6.372 1.00 0.00 H ATOM 515 2HG GLU A 31 -6.052 20.264 4.973 1.00 0.00 H ATOM 516 N GLU A 32 -8.601 17.228 8.021 1.00 0.00 N ATOM 517 CA GLU A 32 -8.733 16.233 9.079 1.00 0.00 C ATOM 518 C GLU A 32 -9.161 14.884 8.516 1.00 0.00 C ATOM 519 O GLU A 32 -8.676 13.838 8.949 1.00 0.00 O ATOM 520 CB GLU A 32 -9.743 16.701 10.129 1.00 0.00 C ATOM 521 CG GLU A 32 -9.276 17.881 10.968 1.00 0.00 C ATOM 522 CD GLU A 32 -7.997 17.603 11.708 1.00 0.00 C ATOM 523 OE1 GLU A 32 -7.927 16.602 12.380 1.00 0.00 O ATOM 524 OE2 GLU A 32 -7.089 18.393 11.602 1.00 0.00 O ATOM 525 H GLU A 32 -9.268 17.983 7.969 1.00 0.00 H ATOM 526 HA GLU A 32 -7.766 16.117 9.569 1.00 0.00 H ATOM 527 1HB GLU A 32 -10.673 16.988 9.636 1.00 0.00 H ATOM 528 2HB GLU A 32 -9.972 15.878 10.806 1.00 0.00 H ATOM 529 1HG GLU A 32 -9.125 18.741 10.316 1.00 0.00 H ATOM 530 2HG GLU A 32 -10.056 18.136 11.684 1.00 0.00 H ATOM 531 N LEU A 33 -10.070 14.914 7.547 1.00 0.00 N ATOM 532 CA LEU A 33 -10.533 13.695 6.894 1.00 0.00 C ATOM 533 C LEU A 33 -9.423 13.057 6.069 1.00 0.00 C ATOM 534 O LEU A 33 -9.242 11.840 6.089 1.00 0.00 O ATOM 535 CB LEU A 33 -11.736 14.000 5.993 1.00 0.00 C ATOM 536 CG LEU A 33 -12.311 12.805 5.222 1.00 0.00 C ATOM 537 CD1 LEU A 33 -12.798 11.751 6.208 1.00 0.00 C ATOM 538 CD2 LEU A 33 -13.444 13.277 4.323 1.00 0.00 C ATOM 539 H LEU A 33 -10.450 15.803 7.257 1.00 0.00 H ATOM 540 HA LEU A 33 -10.848 12.988 7.662 1.00 0.00 H ATOM 541 1HB LEU A 33 -12.534 14.413 6.608 1.00 0.00 H ATOM 542 2HB LEU A 33 -11.441 14.754 5.263 1.00 0.00 H ATOM 543 HG LEU A 33 -11.528 12.354 4.613 1.00 0.00 H ATOM 544 1HD1 LEU A 33 -13.206 10.902 5.661 1.00 0.00 H ATOM 545 2HD1 LEU A 33 -11.963 11.417 6.825 1.00 0.00 H ATOM 546 3HD1 LEU A 33 -13.572 12.179 6.845 1.00 0.00 H ATOM 547 1HD2 LEU A 33 -13.852 12.427 3.775 1.00 0.00 H ATOM 548 2HD2 LEU A 33 -14.228 13.727 4.932 1.00 0.00 H ATOM 549 3HD2 LEU A 33 -13.064 14.016 3.617 1.00 0.00 H ATOM 550 N LEU A 34 -8.680 13.887 5.343 1.00 0.00 N ATOM 551 CA LEU A 34 -7.590 13.404 4.504 1.00 0.00 C ATOM 552 C LEU A 34 -6.535 12.680 5.332 1.00 0.00 C ATOM 553 O LEU A 34 -6.077 11.599 4.963 1.00 0.00 O ATOM 554 CB LEU A 34 -6.944 14.574 3.750 1.00 0.00 C ATOM 555 CG LEU A 34 -5.737 14.215 2.874 1.00 0.00 C ATOM 556 CD1 LEU A 34 -6.174 13.255 1.776 1.00 0.00 C ATOM 557 CD2 LEU A 34 -5.142 15.486 2.285 1.00 0.00 C ATOM 558 H LEU A 34 -8.876 14.877 5.374 1.00 0.00 H ATOM 559 HA LEU A 34 -7.999 12.706 3.772 1.00 0.00 H ATOM 560 1HB LEU A 34 -7.695 15.031 3.108 1.00 0.00 H ATOM 561 2HB LEU A 34 -6.617 15.317 4.477 1.00 0.00 H ATOM 562 HG LEU A 34 -4.985 13.709 3.480 1.00 0.00 H ATOM 563 1HD1 LEU A 34 -5.316 13.000 1.153 1.00 0.00 H ATOM 564 2HD1 LEU A 34 -6.578 12.348 2.225 1.00 0.00 H ATOM 565 3HD1 LEU A 34 -6.939 13.729 1.162 1.00 0.00 H ATOM 566 1HD2 LEU A 34 -4.283 15.231 1.663 1.00 0.00 H ATOM 567 2HD2 LEU A 34 -5.893 15.992 1.678 1.00 0.00 H ATOM 568 3HD2 LEU A 34 -4.822 16.145 3.092 1.00 0.00 H ATOM 569 N LYS A 35 -6.154 13.283 6.453 1.00 0.00 N ATOM 570 CA LYS A 35 -5.171 12.686 7.347 1.00 0.00 C ATOM 571 C LYS A 35 -5.627 11.316 7.833 1.00 0.00 C ATOM 572 O LYS A 35 -4.859 10.355 7.819 1.00 0.00 O ATOM 573 CB LYS A 35 -4.905 13.606 8.540 1.00 0.00 C ATOM 574 CG LYS A 35 -4.038 14.817 8.220 1.00 0.00 C ATOM 575 CD LYS A 35 -3.676 15.586 9.481 1.00 0.00 C ATOM 576 CE LYS A 35 -4.868 16.366 10.016 1.00 0.00 C ATOM 577 NZ LYS A 35 -4.482 17.280 11.126 1.00 0.00 N ATOM 578 H LYS A 35 -6.558 14.178 6.691 1.00 0.00 H ATOM 579 HA LYS A 35 -4.233 12.569 6.801 1.00 0.00 H ATOM 580 1HB LYS A 35 -5.853 13.969 8.938 1.00 0.00 H ATOM 581 2HB LYS A 35 -4.412 13.042 9.332 1.00 0.00 H ATOM 582 1HG LYS A 35 -3.121 14.488 7.729 1.00 0.00 H ATOM 583 2HG LYS A 35 -4.575 15.479 7.542 1.00 0.00 H ATOM 584 1HD LYS A 35 -3.335 14.889 10.248 1.00 0.00 H ATOM 585 2HD LYS A 35 -2.866 16.282 9.263 1.00 0.00 H ATOM 586 1HE LYS A 35 -5.306 16.956 9.212 1.00 0.00 H ATOM 587 2HE LYS A 35 -5.624 15.671 10.380 1.00 0.00 H ATOM 588 1HZ LYS A 35 -5.299 17.777 11.452 1.00 0.00 H ATOM 589 2HZ LYS A 35 -4.091 16.741 11.886 1.00 0.00 H ATOM 590 3HZ LYS A 35 -3.795 17.942 10.795 1.00 0.00 H ATOM 591 N LYS A 36 -6.881 11.234 8.263 1.00 0.00 N ATOM 592 CA LYS A 36 -7.451 9.976 8.730 1.00 0.00 C ATOM 593 C LYS A 36 -7.396 8.910 7.644 1.00 0.00 C ATOM 594 O LYS A 36 -6.974 7.780 7.890 1.00 0.00 O ATOM 595 CB LYS A 36 -8.894 10.181 9.193 1.00 0.00 C ATOM 596 CG LYS A 36 -9.584 8.914 9.681 1.00 0.00 C ATOM 597 CD LYS A 36 -11.019 9.193 10.102 1.00 0.00 C ATOM 598 CE LYS A 36 -11.689 7.942 10.653 1.00 0.00 C ATOM 599 NZ LYS A 36 -11.920 6.923 9.594 1.00 0.00 N ATOM 600 H LYS A 36 -7.455 12.066 8.267 1.00 0.00 H ATOM 601 HA LYS A 36 -6.871 9.632 9.588 1.00 0.00 H ATOM 602 1HB LYS A 36 -8.917 10.907 10.006 1.00 0.00 H ATOM 603 2HB LYS A 36 -9.485 10.589 8.373 1.00 0.00 H ATOM 604 1HG LYS A 36 -9.588 8.171 8.882 1.00 0.00 H ATOM 605 2HG LYS A 36 -9.038 8.506 10.530 1.00 0.00 H ATOM 606 1HD LYS A 36 -11.029 9.968 10.870 1.00 0.00 H ATOM 607 2HD LYS A 36 -11.588 9.550 9.244 1.00 0.00 H ATOM 608 1HE LYS A 36 -11.062 7.506 11.429 1.00 0.00 H ATOM 609 2HE LYS A 36 -12.647 8.209 11.098 1.00 0.00 H ATOM 610 1HZ LYS A 36 -12.365 6.111 9.998 1.00 0.00 H ATOM 611 2HZ LYS A 36 -12.517 7.311 8.876 1.00 0.00 H ATOM 612 3HZ LYS A 36 -11.036 6.654 9.186 1.00 0.00 H ATOM 613 N LEU A 37 -7.827 9.276 6.441 1.00 0.00 N ATOM 614 CA LEU A 37 -7.899 8.331 5.333 1.00 0.00 C ATOM 615 C LEU A 37 -6.511 7.866 4.913 1.00 0.00 C ATOM 616 O LEU A 37 -6.318 6.707 4.547 1.00 0.00 O ATOM 617 CB LEU A 37 -8.614 8.970 4.137 1.00 0.00 C ATOM 618 CG LEU A 37 -10.106 9.267 4.335 1.00 0.00 C ATOM 619 CD1 LEU A 37 -10.604 10.151 3.199 1.00 0.00 C ATOM 620 CD2 LEU A 37 -10.882 7.959 4.390 1.00 0.00 C ATOM 621 H LEU A 37 -8.111 10.233 6.290 1.00 0.00 H ATOM 622 HA LEU A 37 -8.476 7.463 5.656 1.00 0.00 H ATOM 623 1HB LEU A 37 -8.119 9.910 3.898 1.00 0.00 H ATOM 624 2HB LEU A 37 -8.520 8.305 3.279 1.00 0.00 H ATOM 625 HG LEU A 37 -10.248 9.813 5.268 1.00 0.00 H ATOM 626 1HD1 LEU A 37 -11.664 10.362 3.339 1.00 0.00 H ATOM 627 2HD1 LEU A 37 -10.046 11.087 3.194 1.00 0.00 H ATOM 628 3HD1 LEU A 37 -10.459 9.637 2.249 1.00 0.00 H ATOM 629 1HD2 LEU A 37 -11.942 8.171 4.532 1.00 0.00 H ATOM 630 2HD2 LEU A 37 -10.742 7.414 3.457 1.00 0.00 H ATOM 631 3HD2 LEU A 37 -10.518 7.356 5.222 1.00 0.00 H ATOM 632 N LEU A 38 -5.546 8.777 4.970 1.00 0.00 N ATOM 633 CA LEU A 38 -4.159 8.444 4.667 1.00 0.00 C ATOM 634 C LEU A 38 -3.609 7.423 5.655 1.00 0.00 C ATOM 635 O LEU A 38 -2.888 6.501 5.273 1.00 0.00 O ATOM 636 CB LEU A 38 -3.293 9.710 4.694 1.00 0.00 C ATOM 637 CG LEU A 38 -3.465 10.660 3.502 1.00 0.00 C ATOM 638 CD1 LEU A 38 -2.798 11.992 3.813 1.00 0.00 C ATOM 639 CD2 LEU A 38 -2.864 10.025 2.256 1.00 0.00 C ATOM 640 H LEU A 38 -5.779 9.725 5.229 1.00 0.00 H ATOM 641 HA LEU A 38 -4.116 8.018 3.664 1.00 0.00 H ATOM 642 1HB LEU A 38 -3.524 10.269 5.599 1.00 0.00 H ATOM 643 2HB LEU A 38 -2.245 9.413 4.733 1.00 0.00 H ATOM 644 HG LEU A 38 -4.526 10.848 3.337 1.00 0.00 H ATOM 645 1HD1 LEU A 38 -2.920 12.667 2.966 1.00 0.00 H ATOM 646 2HD1 LEU A 38 -3.260 12.433 4.697 1.00 0.00 H ATOM 647 3HD1 LEU A 38 -1.736 11.833 4.000 1.00 0.00 H ATOM 648 1HD2 LEU A 38 -2.987 10.700 1.409 1.00 0.00 H ATOM 649 2HD2 LEU A 38 -1.803 9.837 2.420 1.00 0.00 H ATOM 650 3HD2 LEU A 38 -3.371 9.083 2.047 1.00 0.00 H ATOM 651 N GLU A 39 -3.955 7.593 6.927 1.00 0.00 N ATOM 652 CA GLU A 39 -3.529 6.664 7.966 1.00 0.00 C ATOM 653 C GLU A 39 -4.111 5.275 7.734 1.00 0.00 C ATOM 654 O GLU A 39 -3.449 4.265 7.976 1.00 0.00 O ATOM 655 CB GLU A 39 -3.947 7.178 9.346 1.00 0.00 C ATOM 656 CG GLU A 39 -3.144 8.373 9.840 1.00 0.00 C ATOM 657 CD GLU A 39 -3.649 8.917 11.148 1.00 0.00 C ATOM 658 OE1 GLU A 39 -4.671 8.461 11.604 1.00 0.00 O ATOM 659 OE2 GLU A 39 -3.013 9.788 11.692 1.00 0.00 O ATOM 660 H GLU A 39 -4.525 8.387 7.179 1.00 0.00 H ATOM 661 HA GLU A 39 -2.442 6.595 7.946 1.00 0.00 H ATOM 662 1HB GLU A 39 -4.998 7.467 9.324 1.00 0.00 H ATOM 663 2HB GLU A 39 -3.842 6.379 10.079 1.00 0.00 H ATOM 664 1HG GLU A 39 -2.104 8.073 9.962 1.00 0.00 H ATOM 665 2HG GLU A 39 -3.181 9.159 9.087 1.00 0.00 H ATOM 666 N GLU A 40 -5.353 5.230 7.264 1.00 0.00 N ATOM 667 CA GLU A 40 -6.009 3.966 6.952 1.00 0.00 C ATOM 668 C GLU A 40 -5.299 3.243 5.813 1.00 0.00 C ATOM 669 O GLU A 40 -5.179 2.018 5.823 1.00 0.00 O ATOM 670 CB GLU A 40 -7.475 4.202 6.583 1.00 0.00 C ATOM 671 CG GLU A 40 -8.353 4.644 7.746 1.00 0.00 C ATOM 672 CD GLU A 40 -9.773 4.917 7.336 1.00 0.00 C ATOM 673 OE1 GLU A 40 -10.083 4.740 6.182 1.00 0.00 O ATOM 674 OE2 GLU A 40 -10.550 5.302 8.178 1.00 0.00 O ATOM 675 H GLU A 40 -5.855 6.094 7.118 1.00 0.00 H ATOM 676 HA GLU A 40 -5.981 3.332 7.839 1.00 0.00 H ATOM 677 1HB GLU A 40 -7.537 4.967 5.808 1.00 0.00 H ATOM 678 2HB GLU A 40 -7.900 3.286 6.172 1.00 0.00 H ATOM 679 1HG GLU A 40 -8.350 3.863 8.506 1.00 0.00 H ATOM 680 2HG GLU A 40 -7.927 5.544 8.187 1.00 0.00 H ATOM 681 N VAL A 41 -4.829 4.009 4.835 1.00 0.00 N ATOM 682 CA VAL A 41 -4.086 3.448 3.713 1.00 0.00 C ATOM 683 C VAL A 41 -2.706 2.972 4.148 1.00 0.00 C ATOM 684 O VAL A 41 -2.261 1.892 3.760 1.00 0.00 O ATOM 685 CB VAL A 41 -3.935 4.496 2.594 1.00 0.00 C ATOM 686 CG1 VAL A 41 -3.004 3.983 1.506 1.00 0.00 C ATOM 687 CG2 VAL A 41 -5.301 4.838 2.018 1.00 0.00 C ATOM 688 H VAL A 41 -4.991 5.005 4.869 1.00 0.00 H ATOM 689 HA VAL A 41 -4.643 2.595 3.321 1.00 0.00 H ATOM 690 HB VAL A 41 -3.480 5.394 3.010 1.00 0.00 H ATOM 691 1HG1 VAL A 41 -2.909 4.736 0.723 1.00 0.00 H ATOM 692 2HG1 VAL A 41 -2.023 3.778 1.934 1.00 0.00 H ATOM 693 3HG1 VAL A 41 -3.413 3.067 1.079 1.00 0.00 H ATOM 694 1HG2 VAL A 41 -5.187 5.580 1.228 1.00 0.00 H ATOM 695 2HG2 VAL A 41 -5.759 3.938 1.608 1.00 0.00 H ATOM 696 3HG2 VAL A 41 -5.937 5.242 2.806 1.00 0.00 H ATOM 697 N GLU A 42 -2.034 3.784 4.956 1.00 0.00 N ATOM 698 CA GLU A 42 -0.688 3.463 5.417 1.00 0.00 C ATOM 699 C GLU A 42 -0.686 2.210 6.281 1.00 0.00 C ATOM 700 O GLU A 42 0.205 1.368 6.168 1.00 0.00 O ATOM 701 CB GLU A 42 -0.100 4.637 6.205 1.00 0.00 C ATOM 702 CG GLU A 42 1.349 4.444 6.632 1.00 0.00 C ATOM 703 CD GLU A 42 1.933 5.664 7.287 1.00 0.00 C ATOM 704 OE1 GLU A 42 1.238 6.646 7.397 1.00 0.00 O ATOM 705 OE2 GLU A 42 3.075 5.615 7.677 1.00 0.00 O ATOM 706 H GLU A 42 -2.465 4.646 5.258 1.00 0.00 H ATOM 707 HA GLU A 42 -0.057 3.289 4.546 1.00 0.00 H ATOM 708 1HB GLU A 42 -0.152 5.543 5.601 1.00 0.00 H ATOM 709 2HB GLU A 42 -0.694 4.807 7.103 1.00 0.00 H ATOM 710 1HG GLU A 42 1.402 3.610 7.331 1.00 0.00 H ATOM 711 2HG GLU A 42 1.943 4.187 5.757 1.00 0.00 H ATOM 712 N LYS A 43 -1.690 2.090 7.144 1.00 0.00 N ATOM 713 CA LYS A 43 -1.778 0.962 8.064 1.00 0.00 C ATOM 714 C LYS A 43 -1.657 -0.364 7.324 1.00 0.00 C ATOM 715 O LYS A 43 -2.044 -0.474 6.161 1.00 0.00 O ATOM 716 OXT LYS A 43 -1.180 -1.317 7.875 1.00 0.00 O ATOM 717 CB LYS A 43 -3.093 1.009 8.845 1.00 0.00 C ATOM 718 CG LYS A 43 -3.250 -0.097 9.880 1.00 0.00 C ATOM 719 CD LYS A 43 -4.539 0.065 10.671 1.00 0.00 C ATOM 720 CE LYS A 43 -4.697 -1.038 11.707 1.00 0.00 C ATOM 721 NZ LYS A 43 -5.955 -0.892 12.488 1.00 0.00 N ATOM 722 H LYS A 43 -2.410 2.798 7.163 1.00 0.00 H ATOM 723 HA LYS A 43 -0.962 1.037 8.783 1.00 0.00 H ATOM 724 1HB LYS A 43 -3.174 1.965 9.363 1.00 0.00 H ATOM 725 2HB LYS A 43 -3.931 0.940 8.152 1.00 0.00 H ATOM 726 1HG LYS A 43 -3.261 -1.066 9.378 1.00 0.00 H ATOM 727 2HG LYS A 43 -2.406 -0.074 10.569 1.00 0.00 H ATOM 728 1HD LYS A 43 -4.536 1.031 11.178 1.00 0.00 H ATOM 729 2HD LYS A 43 -5.390 0.034 9.990 1.00 0.00 H ATOM 730 1HE LYS A 43 -4.703 -2.006 11.209 1.00 0.00 H ATOM 731 2HE LYS A 43 -3.852 -1.014 12.395 1.00 0.00 H ATOM 732 1HZ LYS A 43 -6.021 -1.641 13.163 1.00 0.00 H ATOM 733 2HZ LYS A 43 -5.952 -0.004 12.970 1.00 0.00 H ATOM 734 3HZ LYS A 43 -6.747 -0.933 11.863 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE start25_0121_0002.pdb label fa_atr fa_rep fa_sol fa_intra_atr_xover4 fa_intra_rep_xover4 fa_intra_sol_xover4 lk_ball lk_ball_iso lk_ball_bridge lk_ball_bridge_uncpl fa_elec fa_intra_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun_dev fa_dun_rot fa_dun_semi p_aa_pp hxl_tors ref rama_prepro gen_bonded total weights 1 0.55 1 1 0.55 1 0.92 -0.38 -0.33 -0.33 1 1 1.25 1 1 1 1 1.25 0.48 0.69 0.76 0.78 0.61 1 1 0.5 1 NA pose -222 22.5554 181.025 -17.1016 8.94289 14.5788 91.9346 -98.3481 -0.469 -2.66538 -78.3069 -13.9811 0 -26.6051 -5.532 -2.33546 -6.2223 0 3.54271 2.80558 24.166 43.7978 -13.8956 0 -23.3425 -2.94897 0 -120.406 ASP:NtermProteinFull_1 -3.59011 0.1316 5.80049 -0.26426 0.14436 1.01243 2.48274 -2.5615 -0.0278 -0.1515 -4.00307 -1.52669 0 0 0 -0.58189 0 0 0.26166 0.07864 0 1.65355 0 0 -2.3716 0 0 -3.51296 GLU_2 -3.33759 0.15443 4.19889 -0.46794 0.28086 1.47546 1.36408 -1.80989 -0.02575 -0.13328 -1.61652 -2.88429 0 0 0 0 0 0 -0.00105 0.04275 0 3.99772 -0.27473 0 -2.7348 -0.21062 0 -1.98223 GLU_3 -4.79787 0.34364 6.7028 -0.45969 0.08223 0.92606 2.53088 -2.82997 -0.02575 -0.13328 -3.39926 -0.44707 0 0 0 0 -0.62787 0 0.05106 0.05758 0 3.39154 -0.20887 0 -2.7348 -0.32501 0 -1.90365 ALA_4 -5.5215 0.76284 4.14044 -0.02164 0 0 3.06746 -2.72865 -0 -0 -2.6527 -0.35584 0 0 0 -0.58189 0 0 -0.0026 0 0 0 -0.23144 0 1.8394 -0.14113 0 -2.42725 LEU_5 -7.74274 0.56579 5.16621 -0.69236 0.43856 0.24602 2.79906 -3.02191 -0.02541 -0.14234 -1.58146 0.17263 0 0 0 0 0 0 0.01675 0.1538 0.84129 0 -0.21231 0 0.18072 0.20853 0 -2.62917 LYS_6 -5.77077 0.28118 7.65361 -0.47912 0.22291 0.25029 3.09008 -3.23343 -0.02047 -0.16197 -4.09406 0.13903 0 0 0 0 -0.62787 0 -0.04678 0.0296 2.53183 0 -0.00912 0 -1.5107 0.12519 0 -1.63056 LEU_7 -6.27384 0.75805 4.76506 -0.4978 0.42932 0.11965 2.66844 -2.72352 -0 -0 -2.30793 0.23441 0 0 0 0 0 0 0.12683 0.29197 0.3877 0 -0.26737 0 0.18072 -0.08861 0 -2.19693 VAL_8 -7.54345 1.21303 3.04994 -0.31376 0.28674 0.07155 2.75859 -2.67311 -0 -0 -2.29529 -0.07655 0 0 0 0 0 0 -0.05325 0.05235 0.09313 0 -0.25233 0 1.9342 0.14873 0 -3.59947 GLU_9 -6.56643 0.55414 6.54547 -0.21182 0.0275 0.29019 2.69455 -3.16825 -0.03954 -0.29092 -2.01789 -0.57983 0 0 0 0 0 0 -0.01748 0.00926 0 3.1247 -0.04856 0 -2.7348 0.23221 0 -2.19752 GLU_10 -6.11202 0.47312 7.30961 -0.33161 0.08832 0.38885 3.30855 -3.22738 -0 -0 -3.08313 -0.55175 0 0 0 0 -0.96143 0 -0.02552 0.07698 0 3.55793 -0.08245 0 -2.7348 0.15059 0 -1.75612 LEU_11 -7.94544 1.14339 4.78198 -0.49627 0.36252 0.11975 3.04506 -2.98043 -0 -0 -2.22869 0.22412 0 0 0 0 0 0 0.23839 0.30505 0.30043 0 -0.29988 0 0.18072 -0.00363 0 -3.25292 ALA_12 -5.13364 0.4203 3.28274 -0.02165 0 0 2.53354 -2.46601 -0 -0 -1.80616 -0.35519 0 0 0 0 0 0 0.09743 0 0 0 -0.22209 0 1.8394 -0.07798 0 -1.90931 ARG_13 -4.65651 0.6906 5.42083 -0.81951 0.19071 0.54694 1.87435 -2.50289 -0.01907 -0.12895 -1.09552 0.37958 0 0 0 0 0 0 0.03389 0.21392 1.66121 0 -0.18029 0 -1.2888 -0.17988 0 0.14063 ARG_14 -4.54967 0.40267 4.70024 -0.64942 0.18359 0.39155 2.46078 -2.10939 -0 -0 -1.95917 0.11285 0 0 0 0 -0.96143 0 0.16174 0.05732 2.27461 0 -0.01947 0 -1.2888 -0.08048 0 -0.87248 GLY_15 -2.23038 0.27685 2.43902 -5e-05 0 0 1.12146 -1.3392 -0 -0 -0.87007 -0.39636 0 0 0 0 0 0 -0.09288 0 0 0 -1.37876 0 0.83697 -0.09328 0 -1.7267 VAL_16 -5.45229 0.6831 2.80286 -0.28539 0.21275 0.0623 1.61676 -2.08809 -0 -0 -0.23041 0.0873 0 0 0 0 0 0 0.44924 0.01516 0.042 0 -0.40615 0 1.9342 -0.37513 0 -0.9318 GLU_17 -2.41676 0.1013 2.36833 -0.21518 0.03143 0.30283 1.56155 -1.18018 -0 -0 -1.14532 -0.59133 0 0 0 0 0 0 -0.03983 0.00017 0 3.03502 -0.27187 0 -2.7348 -0.42008 0 -1.61471 ARG_18 -4.68487 0.38432 2.91819 -0.49737 0.06548 0.25428 1.25418 -1.66352 -0 -0 -0.84424 0.49338 0 0 0 0 -0.8634 0 0.00924 0.13617 2.20905 0 -0.20619 0 -1.2888 -0.18823 0 -2.51232 VAL_19 -6.39135 1.01535 2.17659 -0.27455 0.1986 0.0594 2.37129 -1.88182 -0 -0 -2.09374 -0.29803 0 0 0 0 0 0 -0.02333 0.00265 0.23965 0 -0.76276 0 1.9342 -0.18578 0 -3.91363 ILE_20 -4.4993 0.73884 1.96487 -0.50258 0.64237 0.12634 0.45131 -1.33219 -0 -0 -0.21247 -0.21875 0 0 0 0 0 0 -0.01749 0.10951 0.24888 0 -0.43581 0 0.73287 -0.06841 0 -2.27201 ILE_21 -6.58049 1.33595 2.14199 -0.48266 0.67187 0.10543 2.00299 -2.10899 -0 -0 -1.07095 -0.05359 0 0 0 0 0 0 0.32875 0.04411 0.27919 0 -0.42412 0 0.73287 0.2566 0 -2.82103 ASN_22 -2.66946 0.38319 2.04641 -0.19083 0.04551 0.32763 0.64165 -1.18848 -0.00239 -0.00916 0.26195 -1.00942 0 0 0 0 0 0 0.50153 0.00083 0 1.97769 -1.01899 0 -0.93687 -0.13703 0 -0.97622 GLY_23 -1.65494 0.29049 1.76106 -6e-05 0 0 0.19265 -0.95876 -0.0002 -0.00054 -0.04322 -0.40725 0 0 0 0 0 0 -0.12524 0 0 0 -1.49549 0 0.83697 -0.70683 0 -2.31137 TRP_24 -7.20433 1.01563 4.43934 -0.83907 0.01755 0.29897 3.00441 -2.91561 -0.00573 -0.01809 -1.85364 -0.13427 0 0 0 0 0 0 -0.03641 0.00204 0 1.44733 -0.10859 0 1.6906 -0.7319 0 -1.93178 HIS_25 -4.07647 0.25543 2.80251 -0.43013 0.03665 0.4523 1.04619 -1.63249 -0.00612 -0.02355 -1.09963 -0.35425 0 0 0 0 -0.8634 0 -0.06831 0.07277 0 2.74283 -0.25191 0 -0.45461 -0.20974 0 -2.06192 VAL_26 -5.84989 0.75181 1.70869 -0.27489 0.20158 0.05901 2.27355 -1.76787 -0.00573 -0.01809 -2.49962 -0.23741 0 0 0 0 0 0 -0.04702 0.01152 0.28106 0 -0.79085 0 1.9342 -0.18099 0 -4.45093 VAL_27 -4.20177 0.40641 1.19544 -0.33197 0.5592 0.07365 1.05204 -1.25506 -0.00827 -0.02946 -0.53802 -0.52942 0 0 0 0 0 0 0.07911 0.00893 1.43964 0 -0.69576 0 1.9342 -0.41163 0 -1.25274 LEU_28 -4.87986 0.26444 1.6631 -0.62075 0.37471 0.1732 1.33287 -1.58888 -0 -0 -0.84321 0.29823 0 0 0 0 0 0 0.34977 0.01445 0.59422 0 -0.34968 0 0.18072 -0.20443 0 -3.2411 LYS_29 -2.66457 0.2208 1.69769 -0.28962 0.03418 0.1383 0.12926 -0.83351 -0.03242 -0.13315 0.38064 -0.15131 0 0 0 0 0 0 0.61302 0.05621 1.63344 0 -0.10111 0 -1.5107 0.7841 0 -0.02874 ASP_30 -4.26773 0.14371 6.33566 -0.24997 0.13298 0.96988 2.34448 -2.6618 -0.05877 -0.27008 -4.27263 -0.78225 0 0 0 -0.58583 0 0 0.10322 0.00014 0 1.95434 -0.26485 0 -2.3716 0.9758 0 -2.82533 GLU_31 -3.56127 0.18389 4.4226 -0.46868 0.29846 1.48134 1.40636 -1.90449 -0.02432 -0.12421 -1.53589 -2.89742 0 0 0 0 0 0 0.12127 0.05463 0 4.00181 -0.27239 0 -2.7348 -0.05794 0 -1.61104 GLU_32 -4.12744 0.16341 6.18896 -0.4642 0.0823 0.93248 2.21991 -2.52517 -0.02432 -0.12421 -3.20309 -0.44995 0 0 0 0 -0.65846 0 0.11149 0.05748 0 3.31239 -0.25941 0 -2.7348 -0.38575 0 -1.88837 LEU_33 -6.5832 0.63006 5.26112 -0.7137 0.49406 0.28105 2.70413 -2.77413 -0 -0 -2.74839 0.15724 0 0 0 -0.58583 0 0 -0.01002 0.05306 0.89326 0 -0.24221 0 0.18072 -0.12468 0 -3.12749 LEU_34 -7.15507 0.58278 4.00778 -0.7089 0.42903 0.26916 2.53904 -2.69103 -0.0287 -0.14337 -1.97304 0.16138 0 0 0 0 0 0 0.0372 0.02908 0.88698 0 -0.21619 0 0.18072 0.27199 0 -3.52116 LYS_35 -6.02865 0.45108 7.74773 -0.47122 0.19279 0.24384 3.28107 -3.31835 -0 -0 -3.76997 0.15017 0 0 0 0 -0.65846 0 0.04189 0.10015 2.59466 0 0.05185 0 -1.5107 0.32878 0 -0.57332 LYS_36 -5.31115 0.40629 7.13302 -0.49885 0.10511 0.38189 3.45548 -3.06809 -0.02103 -0.14557 -3.83387 0.21272 0 0 0 0 0 0 0.00459 0.05996 2.29064 0 0.06214 0 -1.5107 0.27588 0 -0.00154 LEU_37 -8.41738 1.11933 5.01266 -0.50278 0.434 0.1207 3.40386 -3.18767 -0.0193 -0.15091 -2.26958 0.23948 0 0 0 0 0 0 0.22094 0.14623 0.30476 0 -0.306 0 0.18072 0.09573 0 -3.57522 LEU_38 -8.37395 1.00532 4.84158 -0.50037 0.46634 0.12161 3.30905 -3.07553 -0 -0 -2.59211 0.23678 0 0 0 0 0 0 0.07768 0.36148 0.36655 0 -0.26948 0 0.18072 -0.04479 0 -3.88914 GLU_39 -4.77486 0.33018 6.03411 -0.21617 0.02862 0.30506 2.75941 -2.728 -0.02103 -0.14557 -1.98474 -0.60062 0 0 0 0 0 0 0.1035 0.0629 0 3.00607 -0.30522 0 -2.7348 -0.20972 0 -1.09089 GLU_40 -5.50509 0.46464 6.64361 -0.21659 0.02875 0.30411 2.8752 -3.01463 -0.0231 -0.16905 -2.83306 -0.61202 0 0 0 0 0 0 0.11306 0.00062 0 3.0846 -0.30184 0 -2.7348 -0.46482 0 -2.3604 VAL_41 -7.02023 0.65813 2.66508 -0.311 0.26939 0.0709 2.04669 -2.39647 -0 -0 -0.20817 -0.13013 0 0 0 0 0 0 -0.05769 0.01133 0.21498 0 -0.34331 0 1.9342 -0.19209 0 -2.78841 GLU_42 -3.7183 0.26608 3.59018 -0.33382 0.05741 0.39525 1.45882 -1.76014 -0 -0 -0.36861 -0.60474 0 0 0 0 0 0 -0.04563 0.02172 0 3.51031 -0.22177 0 -2.7348 -0.13096 0 -0.61901 LYS:CtermProteinFull_43 -2.15745 0.13184 3.49612 -0.48342 0.09414 0.42913 1.40081 -1.47161 -0.0038 -0.01814 0.12901 -0.04464 0 0 0 0 0 0 0 0.00305 1.55681 0 0 0 -1.5107 -0.17152 0 1.37963 #END_POSE_ENERGIES_TABLE start25_0121_0002.pdb score_per_res -2.80013 total_score -120.406
HEEH_KT_rd6_1376.pdb
ATOM 1 N THR A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA THR A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C THR A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O THR A 1 1.878 2.148 -0.985 1.00 0.00 O ATOM 5 CB THR A 1 2.012 -0.770 -1.213 1.00 0.00 C ATOM 6 OG1 THR A 1 1.550 -2.126 -1.173 1.00 0.00 O ATOM 7 CG2 THR A 1 3.533 -0.756 -1.204 1.00 0.00 C ATOM 8 1H THR A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 9 2H THR A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 10 3H THR A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 11 HA THR A 1 1.804 -0.509 0.900 1.00 0.00 H ATOM 12 HB THR A 1 1.656 -0.306 -2.132 1.00 0.00 H ATOM 13 HG1 THR A 1 1.686 -2.535 -2.031 1.00 0.00 H ATOM 14 1HG2 THR A 1 3.907 -1.304 -2.068 1.00 0.00 H ATOM 15 2HG2 THR A 1 3.888 0.274 -1.246 1.00 0.00 H ATOM 16 3HG2 THR A 1 3.896 -1.227 -0.291 1.00 0.00 H ATOM 17 N GLU A 2 2.626 1.810 1.110 1.00 0.00 N ATOM 18 CA GLU A 2 3.130 3.169 1.270 1.00 0.00 C ATOM 19 C GLU A 2 4.215 3.478 0.245 1.00 0.00 C ATOM 20 O GLU A 2 4.307 4.599 -0.256 1.00 0.00 O ATOM 21 CB GLU A 2 3.678 3.372 2.685 1.00 0.00 C ATOM 22 CG GLU A 2 2.625 3.301 3.782 1.00 0.00 C ATOM 23 CD GLU A 2 2.258 1.891 4.151 1.00 0.00 C ATOM 24 OE1 GLU A 2 2.813 0.984 3.580 1.00 0.00 O ATOM 25 OE2 GLU A 2 1.421 1.721 5.006 1.00 0.00 O ATOM 26 H GLU A 2 2.749 1.148 1.863 1.00 0.00 H ATOM 27 HA GLU A 2 2.302 3.864 1.124 1.00 0.00 H ATOM 28 1HB GLU A 2 4.432 2.613 2.895 1.00 0.00 H ATOM 29 2HB GLU A 2 4.165 4.344 2.750 1.00 0.00 H ATOM 30 1HG GLU A 2 3.005 3.809 4.668 1.00 0.00 H ATOM 31 2HG GLU A 2 1.733 3.829 3.450 1.00 0.00 H ATOM 32 N ALA A 3 5.034 2.478 -0.061 1.00 0.00 N ATOM 33 CA ALA A 3 6.149 2.657 -0.984 1.00 0.00 C ATOM 34 C ALA A 3 5.665 3.129 -2.349 1.00 0.00 C ATOM 35 O ALA A 3 6.308 3.958 -2.993 1.00 0.00 O ATOM 36 CB ALA A 3 6.936 1.362 -1.121 1.00 0.00 C ATOM 37 H ALA A 3 4.880 1.571 0.354 1.00 0.00 H ATOM 38 HA ALA A 3 6.822 3.410 -0.571 1.00 0.00 H ATOM 39 1HB ALA A 3 7.765 1.511 -1.812 1.00 0.00 H ATOM 40 2HB ALA A 3 7.325 1.068 -0.146 1.00 0.00 H ATOM 41 3HB ALA A 3 6.283 0.578 -1.502 1.00 0.00 H ATOM 42 N GLU A 4 4.528 2.598 -2.784 1.00 0.00 N ATOM 43 CA GLU A 4 4.006 2.890 -4.113 1.00 0.00 C ATOM 44 C GLU A 4 3.401 4.287 -4.172 1.00 0.00 C ATOM 45 O GLU A 4 3.582 5.011 -5.152 1.00 0.00 O ATOM 46 CB GLU A 4 2.956 1.852 -4.515 1.00 0.00 C ATOM 47 CG GLU A 4 3.514 0.457 -4.764 1.00 0.00 C ATOM 48 CD GLU A 4 2.440 -0.570 -4.993 1.00 0.00 C ATOM 49 OE1 GLU A 4 1.287 -0.232 -4.876 1.00 0.00 O ATOM 50 OE2 GLU A 4 2.774 -1.694 -5.285 1.00 0.00 O ATOM 51 H GLU A 4 4.013 1.975 -2.179 1.00 0.00 H ATOM 52 HA GLU A 4 4.827 2.834 -4.828 1.00 0.00 H ATOM 53 1HB GLU A 4 2.201 1.775 -3.732 1.00 0.00 H ATOM 54 2HB GLU A 4 2.451 2.177 -5.425 1.00 0.00 H ATOM 55 1HG GLU A 4 4.164 0.488 -5.638 1.00 0.00 H ATOM 56 2HG GLU A 4 4.117 0.161 -3.907 1.00 0.00 H ATOM 57 N GLU A 5 2.683 4.661 -3.119 1.00 0.00 N ATOM 58 CA GLU A 5 2.070 5.981 -3.039 1.00 0.00 C ATOM 59 C GLU A 5 3.126 7.074 -2.941 1.00 0.00 C ATOM 60 O GLU A 5 2.985 8.142 -3.539 1.00 0.00 O ATOM 61 CB GLU A 5 1.127 6.058 -1.836 1.00 0.00 C ATOM 62 CG GLU A 5 -0.142 5.230 -1.977 1.00 0.00 C ATOM 63 CD GLU A 5 -1.076 5.387 -0.810 1.00 0.00 C ATOM 64 OE1 GLU A 5 -0.693 6.006 0.154 1.00 0.00 O ATOM 65 OE2 GLU A 5 -2.175 4.888 -0.882 1.00 0.00 O ATOM 66 H GLU A 5 2.559 4.013 -2.353 1.00 0.00 H ATOM 67 HA GLU A 5 1.480 6.144 -3.943 1.00 0.00 H ATOM 68 1HB GLU A 5 1.650 5.719 -0.941 1.00 0.00 H ATOM 69 2HB GLU A 5 0.833 7.095 -1.670 1.00 0.00 H ATOM 70 1HG GLU A 5 -0.661 5.531 -2.886 1.00 0.00 H ATOM 71 2HG GLU A 5 0.131 4.180 -2.079 1.00 0.00 H ATOM 72 N ILE A 6 4.183 6.802 -2.184 1.00 0.00 N ATOM 73 CA ILE A 6 5.268 7.760 -2.012 1.00 0.00 C ATOM 74 C ILE A 6 6.112 7.869 -3.276 1.00 0.00 C ATOM 75 O ILE A 6 6.495 8.964 -3.686 1.00 0.00 O ATOM 76 CB ILE A 6 6.167 7.364 -0.827 1.00 0.00 C ATOM 77 CG1 ILE A 6 5.394 7.474 0.490 1.00 0.00 C ATOM 78 CG2 ILE A 6 7.413 8.236 -0.790 1.00 0.00 C ATOM 79 CD1 ILE A 6 6.061 6.773 1.651 1.00 0.00 C ATOM 80 H ILE A 6 4.236 5.909 -1.716 1.00 0.00 H ATOM 81 HA ILE A 6 4.837 8.738 -1.794 1.00 0.00 H ATOM 82 HB ILE A 6 6.467 6.322 -0.929 1.00 0.00 H ATOM 83 1HG1 ILE A 6 5.269 8.525 0.752 1.00 0.00 H ATOM 84 2HG1 ILE A 6 4.398 7.050 0.363 1.00 0.00 H ATOM 85 1HG2 ILE A 6 8.037 7.943 0.054 1.00 0.00 H ATOM 86 2HG2 ILE A 6 7.973 8.109 -1.716 1.00 0.00 H ATOM 87 3HG2 ILE A 6 7.123 9.281 -0.682 1.00 0.00 H ATOM 88 1HD1 ILE A 6 5.453 6.895 2.548 1.00 0.00 H ATOM 89 2HD1 ILE A 6 6.164 5.711 1.424 1.00 0.00 H ATOM 90 3HD1 ILE A 6 7.046 7.205 1.819 1.00 0.00 H ATOM 91 N ALA A 7 6.400 6.726 -3.890 1.00 0.00 N ATOM 92 CA ALA A 7 7.200 6.692 -5.108 1.00 0.00 C ATOM 93 C ALA A 7 6.552 7.509 -6.217 1.00 0.00 C ATOM 94 O ALA A 7 7.235 8.206 -6.968 1.00 0.00 O ATOM 95 CB ALA A 7 7.410 5.255 -5.563 1.00 0.00 C ATOM 96 H ALA A 7 6.055 5.859 -3.503 1.00 0.00 H ATOM 97 HA ALA A 7 8.181 7.114 -4.889 1.00 0.00 H ATOM 98 1HB ALA A 7 8.010 5.245 -6.473 1.00 0.00 H ATOM 99 2HB ALA A 7 7.927 4.697 -4.782 1.00 0.00 H ATOM 100 3HB ALA A 7 6.445 4.791 -5.760 1.00 0.00 H ATOM 101 N GLN A 8 5.229 7.419 -6.316 1.00 0.00 N ATOM 102 CA GLN A 8 4.481 8.185 -7.305 1.00 0.00 C ATOM 103 C GLN A 8 4.572 9.680 -7.029 1.00 0.00 C ATOM 104 O GLN A 8 4.728 10.483 -7.949 1.00 0.00 O ATOM 105 CB GLN A 8 3.015 7.744 -7.327 1.00 0.00 C ATOM 106 CG GLN A 8 2.176 8.427 -8.392 1.00 0.00 C ATOM 107 CD GLN A 8 2.610 8.056 -9.798 1.00 0.00 C ATOM 108 OE1 GLN A 8 2.658 6.877 -10.156 1.00 0.00 O ATOM 109 NE2 GLN A 8 2.930 9.063 -10.602 1.00 0.00 N ATOM 110 H GLN A 8 4.730 6.805 -5.688 1.00 0.00 H ATOM 111 HA GLN A 8 4.906 7.985 -8.290 1.00 0.00 H ATOM 112 1HB GLN A 8 2.961 6.669 -7.494 1.00 0.00 H ATOM 113 2HB GLN A 8 2.560 7.949 -6.358 1.00 0.00 H ATOM 114 1HG GLN A 8 1.135 8.129 -8.267 1.00 0.00 H ATOM 115 2HG GLN A 8 2.271 9.507 -8.279 1.00 0.00 H ATOM 116 1HE2 GLN A 8 3.225 8.880 -11.541 1.00 0.00 H ATOM 117 2HE2 GLN A 8 2.878 10.005 -10.270 1.00 0.00 H ATOM 118 N HIS A 9 4.471 10.048 -5.756 1.00 0.00 N ATOM 119 CA HIS A 9 4.599 11.442 -5.350 1.00 0.00 C ATOM 120 C HIS A 9 5.958 12.007 -5.741 1.00 0.00 C ATOM 121 O HIS A 9 6.052 13.114 -6.269 1.00 0.00 O ATOM 122 CB HIS A 9 4.395 11.586 -3.838 1.00 0.00 C ATOM 123 CG HIS A 9 4.420 13.005 -3.360 1.00 0.00 C ATOM 124 ND1 HIS A 9 3.394 13.892 -3.609 1.00 0.00 N ATOM 125 CD2 HIS A 9 5.347 13.691 -2.650 1.00 0.00 C ATOM 126 CE1 HIS A 9 3.688 15.063 -3.071 1.00 0.00 C ATOM 127 NE2 HIS A 9 4.867 14.967 -2.484 1.00 0.00 N ATOM 128 H HIS A 9 4.301 9.343 -5.052 1.00 0.00 H ATOM 129 HA HIS A 9 3.823 12.021 -5.849 1.00 0.00 H ATOM 130 1HB HIS A 9 3.437 11.148 -3.556 1.00 0.00 H ATOM 131 2HB HIS A 9 5.175 11.036 -3.312 1.00 0.00 H ATOM 132 HD1 HIS A 9 2.522 13.678 -4.049 1.00 0.00 H ATOM 133 HD2 HIS A 9 6.315 13.413 -2.233 1.00 0.00 H ATOM 134 HE1 HIS A 9 2.999 15.902 -3.157 1.00 0.00 H ATOM 135 N ILE A 10 7.011 11.240 -5.478 1.00 0.00 N ATOM 136 CA ILE A 10 8.368 11.665 -5.798 1.00 0.00 C ATOM 137 C ILE A 10 8.532 11.900 -7.294 1.00 0.00 C ATOM 138 O ILE A 10 9.126 12.893 -7.714 1.00 0.00 O ATOM 139 CB ILE A 10 9.396 10.621 -5.326 1.00 0.00 C ATOM 140 CG1 ILE A 10 9.422 10.550 -3.797 1.00 0.00 C ATOM 141 CG2 ILE A 10 10.777 10.950 -5.871 1.00 0.00 C ATOM 142 CD1 ILE A 10 10.168 9.353 -3.253 1.00 0.00 C ATOM 143 H ILE A 10 6.867 10.339 -5.043 1.00 0.00 H ATOM 144 HA ILE A 10 8.572 12.598 -5.272 1.00 0.00 H ATOM 145 HB ILE A 10 9.102 9.634 -5.682 1.00 0.00 H ATOM 146 1HG1 ILE A 10 9.887 11.452 -3.399 1.00 0.00 H ATOM 147 2HG1 ILE A 10 8.401 10.516 -3.417 1.00 0.00 H ATOM 148 1HG2 ILE A 10 11.492 10.203 -5.527 1.00 0.00 H ATOM 149 2HG2 ILE A 10 10.748 10.951 -6.959 1.00 0.00 H ATOM 150 3HG2 ILE A 10 11.083 11.935 -5.516 1.00 0.00 H ATOM 151 1HD1 ILE A 10 10.143 9.373 -2.163 1.00 0.00 H ATOM 152 2HD1 ILE A 10 9.697 8.437 -3.611 1.00 0.00 H ATOM 153 3HD1 ILE A 10 11.203 9.385 -3.592 1.00 0.00 H ATOM 154 N ALA A 11 8.004 10.980 -8.094 1.00 0.00 N ATOM 155 CA ALA A 11 8.078 11.093 -9.546 1.00 0.00 C ATOM 156 C ALA A 11 7.352 12.340 -10.038 1.00 0.00 C ATOM 157 O ALA A 11 7.819 13.022 -10.950 1.00 0.00 O ATOM 158 CB ALA A 11 7.499 9.850 -10.205 1.00 0.00 C ATOM 159 H ALA A 11 7.540 10.181 -7.687 1.00 0.00 H ATOM 160 HA ALA A 11 9.126 11.163 -9.835 1.00 0.00 H ATOM 161 1HB ALA A 11 7.560 9.950 -11.289 1.00 0.00 H ATOM 162 2HB ALA A 11 8.065 8.974 -9.889 1.00 0.00 H ATOM 163 3HB ALA A 11 6.457 9.734 -9.911 1.00 0.00 H ATOM 164 N GLU A 12 6.208 12.631 -9.428 1.00 0.00 N ATOM 165 CA GLU A 12 5.403 13.782 -9.821 1.00 0.00 C ATOM 166 C GLU A 12 6.157 15.086 -9.594 1.00 0.00 C ATOM 167 O GLU A 12 6.019 16.036 -10.364 1.00 0.00 O ATOM 168 CB GLU A 12 4.085 13.803 -9.042 1.00 0.00 C ATOM 169 CG GLU A 12 3.069 12.766 -9.500 1.00 0.00 C ATOM 170 CD GLU A 12 1.850 12.715 -8.621 1.00 0.00 C ATOM 171 OE1 GLU A 12 1.870 13.316 -7.574 1.00 0.00 O ATOM 172 OE2 GLU A 12 0.897 12.074 -8.998 1.00 0.00 O ATOM 173 H GLU A 12 5.888 12.041 -8.674 1.00 0.00 H ATOM 174 HA GLU A 12 5.168 13.694 -10.882 1.00 0.00 H ATOM 175 1HB GLU A 12 4.285 13.631 -7.985 1.00 0.00 H ATOM 176 2HB GLU A 12 3.624 14.786 -9.133 1.00 0.00 H ATOM 177 1HG GLU A 12 2.759 13.001 -10.518 1.00 0.00 H ATOM 178 2HG GLU A 12 3.544 11.787 -9.511 1.00 0.00 H ATOM 179 N LEU A 13 6.957 15.124 -8.533 1.00 0.00 N ATOM 180 CA LEU A 13 7.718 16.320 -8.191 1.00 0.00 C ATOM 181 C LEU A 13 8.874 16.532 -9.160 1.00 0.00 C ATOM 182 O LEU A 13 9.496 17.594 -9.176 1.00 0.00 O ATOM 183 CB LEU A 13 8.256 16.214 -6.759 1.00 0.00 C ATOM 184 CG LEU A 13 7.197 16.211 -5.649 1.00 0.00 C ATOM 185 CD1 LEU A 13 7.856 15.881 -4.317 1.00 0.00 C ATOM 186 CD2 LEU A 13 6.512 17.569 -5.598 1.00 0.00 C ATOM 187 H LEU A 13 7.039 14.305 -7.950 1.00 0.00 H ATOM 188 HA LEU A 13 7.053 17.182 -8.246 1.00 0.00 H ATOM 189 1HB LEU A 13 8.830 15.293 -6.670 1.00 0.00 H ATOM 190 2HB LEU A 13 8.926 17.054 -6.576 1.00 0.00 H ATOM 191 HG LEU A 13 6.455 15.439 -5.855 1.00 0.00 H ATOM 192 1HD1 LEU A 13 7.104 15.879 -3.528 1.00 0.00 H ATOM 193 2HD1 LEU A 13 8.321 14.897 -4.376 1.00 0.00 H ATOM 194 3HD1 LEU A 13 8.616 16.629 -4.092 1.00 0.00 H ATOM 195 1HD2 LEU A 13 5.758 17.567 -4.809 1.00 0.00 H ATOM 196 2HD2 LEU A 13 7.252 18.342 -5.391 1.00 0.00 H ATOM 197 3HD2 LEU A 13 6.034 17.772 -6.556 1.00 0.00 H ATOM 198 N ASN A 14 9.159 15.515 -9.967 1.00 0.00 N ATOM 199 CA ASN A 14 10.312 15.544 -10.858 1.00 0.00 C ATOM 200 C ASN A 14 11.588 15.878 -10.096 1.00 0.00 C ATOM 201 O ASN A 14 12.366 16.737 -10.515 1.00 0.00 O ATOM 202 CB ASN A 14 10.090 16.533 -11.988 1.00 0.00 C ATOM 203 CG ASN A 14 11.038 16.322 -13.135 1.00 0.00 C ATOM 204 OD1 ASN A 14 11.448 15.190 -13.418 1.00 0.00 O ATOM 205 ND2 ASN A 14 11.395 17.390 -13.802 1.00 0.00 N ATOM 206 H ASN A 14 8.560 14.702 -9.962 1.00 0.00 H ATOM 207 HA ASN A 14 10.446 14.562 -11.312 1.00 0.00 H ATOM 208 1HB ASN A 14 9.067 16.442 -12.355 1.00 0.00 H ATOM 209 2HB ASN A 14 10.214 17.549 -11.612 1.00 0.00 H ATOM 210 1HD2 ASN A 14 12.024 17.310 -14.576 1.00 0.00 H ATOM 211 2HD2 ASN A 14 11.039 18.286 -13.538 1.00 0.00 H ATOM 212 N THR A 15 11.799 15.197 -8.976 1.00 0.00 N ATOM 213 CA THR A 15 12.949 15.466 -8.120 1.00 0.00 C ATOM 214 C THR A 15 13.698 14.184 -7.784 1.00 0.00 C ATOM 215 O THR A 15 13.289 13.092 -8.180 1.00 0.00 O ATOM 216 CB THR A 15 12.519 16.169 -6.819 1.00 0.00 C ATOM 217 OG1 THR A 15 13.677 16.665 -6.136 1.00 0.00 O ATOM 218 CG2 THR A 15 11.774 15.203 -5.911 1.00 0.00 C ATOM 219 H THR A 15 11.147 14.473 -8.710 1.00 0.00 H ATOM 220 HA THR A 15 13.624 16.138 -8.649 1.00 0.00 H ATOM 221 HB THR A 15 11.867 17.010 -7.058 1.00 0.00 H ATOM 222 HG1 THR A 15 13.408 17.313 -5.479 1.00 0.00 H ATOM 223 1HG2 THR A 15 11.477 15.717 -4.997 1.00 0.00 H ATOM 224 2HG2 THR A 15 10.886 14.832 -6.424 1.00 0.00 H ATOM 225 3HG2 THR A 15 12.424 14.365 -5.661 1.00 0.00 H ATOM 226 N THR A 16 14.799 14.321 -7.053 1.00 0.00 N ATOM 227 CA THR A 16 15.563 13.169 -6.592 1.00 0.00 C ATOM 228 C THR A 16 15.547 13.071 -5.071 1.00 0.00 C ATOM 229 O THR A 16 15.795 14.054 -4.374 1.00 0.00 O ATOM 230 CB THR A 16 17.018 13.232 -7.092 1.00 0.00 C ATOM 231 OG1 THR A 16 17.034 13.223 -8.525 1.00 0.00 O ATOM 232 CG2 THR A 16 17.813 12.044 -6.572 1.00 0.00 C ATOM 233 H THR A 16 15.115 15.250 -6.811 1.00 0.00 H ATOM 234 HA THR A 16 15.111 12.266 -7.004 1.00 0.00 H ATOM 235 HB THR A 16 17.483 14.154 -6.743 1.00 0.00 H ATOM 236 HG1 THR A 16 16.798 14.095 -8.853 1.00 0.00 H ATOM 237 1HG2 THR A 16 18.839 12.106 -6.935 1.00 0.00 H ATOM 238 2HG2 THR A 16 17.812 12.054 -5.482 1.00 0.00 H ATOM 239 3HG2 THR A 16 17.358 11.120 -6.926 1.00 0.00 H ATOM 240 N VAL A 17 15.255 11.879 -4.563 1.00 0.00 N ATOM 241 CA VAL A 17 15.194 11.653 -3.124 1.00 0.00 C ATOM 242 C VAL A 17 16.145 10.541 -2.699 1.00 0.00 C ATOM 243 O VAL A 17 16.226 9.499 -3.350 1.00 0.00 O ATOM 244 CB VAL A 17 13.758 11.287 -2.702 1.00 0.00 C ATOM 245 CG1 VAL A 17 13.695 11.022 -1.205 1.00 0.00 C ATOM 246 CG2 VAL A 17 12.803 12.404 -3.093 1.00 0.00 C ATOM 247 H VAL A 17 15.071 11.108 -5.190 1.00 0.00 H ATOM 248 HA VAL A 17 15.484 12.574 -2.617 1.00 0.00 H ATOM 249 HB VAL A 17 13.466 10.365 -3.204 1.00 0.00 H ATOM 250 1HG1 VAL A 17 12.674 10.764 -0.924 1.00 0.00 H ATOM 251 2HG1 VAL A 17 14.360 10.196 -0.953 1.00 0.00 H ATOM 252 3HG1 VAL A 17 14.005 11.916 -0.664 1.00 0.00 H ATOM 253 1HG2 VAL A 17 11.790 12.138 -2.792 1.00 0.00 H ATOM 254 2HG2 VAL A 17 13.099 13.327 -2.595 1.00 0.00 H ATOM 255 3HG2 VAL A 17 12.834 12.548 -4.173 1.00 0.00 H ATOM 256 N THR A 18 16.862 10.769 -1.606 1.00 0.00 N ATOM 257 CA THR A 18 17.825 9.796 -1.104 1.00 0.00 C ATOM 258 C THR A 18 17.539 9.436 0.348 1.00 0.00 C ATOM 259 O THR A 18 17.003 10.246 1.105 1.00 0.00 O ATOM 260 CB THR A 18 19.266 10.325 -1.231 1.00 0.00 C ATOM 261 OG1 THR A 18 19.436 11.465 -0.379 1.00 0.00 O ATOM 262 CG2 THR A 18 19.564 10.722 -2.669 1.00 0.00 C ATOM 263 H THR A 18 16.737 11.639 -1.108 1.00 0.00 H ATOM 264 HA THR A 18 17.750 8.891 -1.709 1.00 0.00 H ATOM 265 HB THR A 18 19.967 9.550 -0.921 1.00 0.00 H ATOM 266 HG1 THR A 18 19.449 11.180 0.538 1.00 0.00 H ATOM 267 1HG2 THR A 18 20.586 11.093 -2.740 1.00 0.00 H ATOM 268 2HG2 THR A 18 19.446 9.854 -3.317 1.00 0.00 H ATOM 269 3HG2 THR A 18 18.872 11.503 -2.981 1.00 0.00 H ATOM 270 N TRP A 19 17.898 8.215 0.732 1.00 0.00 N ATOM 271 CA TRP A 19 17.817 7.796 2.126 1.00 0.00 C ATOM 272 C TRP A 19 19.122 7.158 2.585 1.00 0.00 C ATOM 273 O TRP A 19 19.795 6.473 1.814 1.00 0.00 O ATOM 274 CB TRP A 19 16.665 6.807 2.319 1.00 0.00 C ATOM 275 CG TRP A 19 15.355 7.303 1.785 1.00 0.00 C ATOM 276 CD1 TRP A 19 14.370 7.925 2.492 1.00 0.00 C ATOM 277 CD2 TRP A 19 14.879 7.220 0.420 1.00 0.00 C ATOM 278 NE1 TRP A 19 13.318 8.233 1.665 1.00 0.00 N ATOM 279 CE2 TRP A 19 13.613 7.810 0.394 1.00 0.00 C ATOM 280 CE3 TRP A 19 15.418 6.701 -0.764 1.00 0.00 C ATOM 281 CZ2 TRP A 19 12.868 7.897 -0.772 1.00 0.00 C ATOM 282 CZ3 TRP A 19 14.672 6.790 -1.933 1.00 0.00 C ATOM 283 CH2 TRP A 19 13.430 7.373 -1.936 1.00 0.00 C ATOM 284 H TRP A 19 18.237 7.562 0.040 1.00 0.00 H ATOM 285 HA TRP A 19 17.622 8.675 2.741 1.00 0.00 H ATOM 286 1HB TRP A 19 16.905 5.868 1.821 1.00 0.00 H ATOM 287 2HB TRP A 19 16.544 6.594 3.381 1.00 0.00 H ATOM 288 HD1 TRP A 19 14.412 8.146 3.557 1.00 0.00 H ATOM 289 HE1 TRP A 19 12.465 8.695 1.946 1.00 0.00 H ATOM 290 HE3 TRP A 19 16.405 6.240 -0.767 1.00 0.00 H ATOM 291 HZ2 TRP A 19 11.879 8.357 -0.795 1.00 0.00 H ATOM 292 HZ3 TRP A 19 15.098 6.382 -2.850 1.00 0.00 H ATOM 293 HH2 TRP A 19 12.872 7.426 -2.871 1.00 0.00 H ATOM 294 N VAL A 20 19.474 7.384 3.846 1.00 0.00 N ATOM 295 CA VAL A 20 20.704 6.841 4.408 1.00 0.00 C ATOM 296 C VAL A 20 20.424 6.016 5.657 1.00 0.00 C ATOM 297 O VAL A 20 19.821 6.504 6.613 1.00 0.00 O ATOM 298 CB VAL A 20 21.680 7.980 4.758 1.00 0.00 C ATOM 299 CG1 VAL A 20 22.962 7.418 5.354 1.00 0.00 C ATOM 300 CG2 VAL A 20 21.979 8.805 3.516 1.00 0.00 C ATOM 301 H VAL A 20 18.872 7.947 4.431 1.00 0.00 H ATOM 302 HA VAL A 20 21.171 6.198 3.661 1.00 0.00 H ATOM 303 HB VAL A 20 21.225 8.616 5.517 1.00 0.00 H ATOM 304 1HG1 VAL A 20 23.641 8.237 5.596 1.00 0.00 H ATOM 305 2HG1 VAL A 20 22.728 6.862 6.262 1.00 0.00 H ATOM 306 3HG1 VAL A 20 23.439 6.754 4.633 1.00 0.00 H ATOM 307 1HG2 VAL A 20 22.670 9.609 3.771 1.00 0.00 H ATOM 308 2HG2 VAL A 20 22.430 8.167 2.755 1.00 0.00 H ATOM 309 3HG2 VAL A 20 21.053 9.231 3.130 1.00 0.00 H ATOM 310 N ILE A 21 20.865 4.763 5.644 1.00 0.00 N ATOM 311 CA ILE A 21 20.853 3.933 6.842 1.00 0.00 C ATOM 312 C ILE A 21 22.241 3.386 7.147 1.00 0.00 C ATOM 313 O ILE A 21 22.746 2.516 6.438 1.00 0.00 O ATOM 314 CB ILE A 21 19.862 2.764 6.691 1.00 0.00 C ATOM 315 CG1 ILE A 21 18.444 3.293 6.464 1.00 0.00 C ATOM 316 CG2 ILE A 21 19.909 1.866 7.918 1.00 0.00 C ATOM 317 CD1 ILE A 21 17.434 2.214 6.143 1.00 0.00 C ATOM 318 H ILE A 21 21.217 4.374 4.780 1.00 0.00 H ATOM 319 HA ILE A 21 20.525 4.545 7.683 1.00 0.00 H ATOM 320 HB ILE A 21 20.124 2.177 5.812 1.00 0.00 H ATOM 321 1HG1 ILE A 21 18.106 3.823 7.354 1.00 0.00 H ATOM 322 2HG1 ILE A 21 18.450 4.008 5.641 1.00 0.00 H ATOM 323 1HG2 ILE A 21 19.202 1.046 7.795 1.00 0.00 H ATOM 324 2HG2 ILE A 21 20.914 1.464 8.036 1.00 0.00 H ATOM 325 3HG2 ILE A 21 19.643 2.444 8.803 1.00 0.00 H ATOM 326 1HD1 ILE A 21 16.453 2.667 5.995 1.00 0.00 H ATOM 327 2HD1 ILE A 21 17.735 1.693 5.234 1.00 0.00 H ATOM 328 3HD1 ILE A 21 17.385 1.506 6.969 1.00 0.00 H ATOM 329 N GLY A 22 22.855 3.901 8.206 1.00 0.00 N ATOM 330 CA GLY A 22 24.264 3.642 8.478 1.00 0.00 C ATOM 331 C GLY A 22 25.155 4.280 7.419 1.00 0.00 C ATOM 332 O GLY A 22 25.212 5.503 7.297 1.00 0.00 O ATOM 333 H GLY A 22 22.333 4.489 8.841 1.00 0.00 H ATOM 334 1HA GLY A 22 24.523 4.034 9.461 1.00 0.00 H ATOM 335 2HA GLY A 22 24.437 2.567 8.505 1.00 0.00 H ATOM 336 N THR A 23 25.849 3.443 6.655 1.00 0.00 N ATOM 337 CA THR A 23 26.755 3.924 5.619 1.00 0.00 C ATOM 338 C THR A 23 26.219 3.607 4.229 1.00 0.00 C ATOM 339 O THR A 23 26.892 3.842 3.225 1.00 0.00 O ATOM 340 CB THR A 23 28.159 3.313 5.783 1.00 0.00 C ATOM 341 OG1 THR A 23 28.080 1.887 5.665 1.00 0.00 O ATOM 342 CG2 THR A 23 28.742 3.674 7.141 1.00 0.00 C ATOM 343 H THR A 23 25.748 2.447 6.797 1.00 0.00 H ATOM 344 HA THR A 23 26.852 5.005 5.719 1.00 0.00 H ATOM 345 HB THR A 23 28.815 3.693 5.000 1.00 0.00 H ATOM 346 HG1 THR A 23 28.063 1.643 4.737 1.00 0.00 H ATOM 347 1HG2 THR A 23 29.735 3.235 7.239 1.00 0.00 H ATOM 348 2HG2 THR A 23 28.815 4.758 7.229 1.00 0.00 H ATOM 349 3HG2 THR A 23 28.096 3.289 7.928 1.00 0.00 H ATOM 350 N THR A 24 25.004 3.073 4.176 1.00 0.00 N ATOM 351 CA THR A 24 24.393 2.681 2.911 1.00 0.00 C ATOM 352 C THR A 24 23.392 3.727 2.437 1.00 0.00 C ATOM 353 O THR A 24 22.458 4.079 3.157 1.00 0.00 O ATOM 354 CB THR A 24 23.694 1.314 3.033 1.00 0.00 C ATOM 355 OG1 THR A 24 24.660 0.309 3.367 1.00 0.00 O ATOM 356 CG2 THR A 24 23.016 0.944 1.723 1.00 0.00 C ATOM 357 H THR A 24 24.490 2.933 5.035 1.00 0.00 H ATOM 358 HA THR A 24 25.179 2.585 2.162 1.00 0.00 H ATOM 359 HB THR A 24 22.946 1.357 3.824 1.00 0.00 H ATOM 360 HG1 THR A 24 24.901 0.393 4.293 1.00 0.00 H ATOM 361 1HG2 THR A 24 22.527 -0.025 1.827 1.00 0.00 H ATOM 362 2HG2 THR A 24 22.273 1.700 1.471 1.00 0.00 H ATOM 363 3HG2 THR A 24 23.761 0.890 0.930 1.00 0.00 H ATOM 364 N THR A 25 23.594 4.223 1.220 1.00 0.00 N ATOM 365 CA THR A 25 22.740 5.268 0.667 1.00 0.00 C ATOM 366 C THR A 25 21.880 4.731 -0.469 1.00 0.00 C ATOM 367 O THR A 25 22.375 4.052 -1.369 1.00 0.00 O ATOM 368 CB THR A 25 23.577 6.459 0.165 1.00 0.00 C ATOM 369 OG1 THR A 25 24.326 7.013 1.254 1.00 0.00 O ATOM 370 CG2 THR A 25 22.675 7.533 -0.424 1.00 0.00 C ATOM 371 H THR A 25 24.358 3.866 0.664 1.00 0.00 H ATOM 372 HA THR A 25 22.086 5.634 1.459 1.00 0.00 H ATOM 373 HB THR A 25 24.273 6.117 -0.601 1.00 0.00 H ATOM 374 HG1 THR A 25 25.028 6.406 1.500 1.00 0.00 H ATOM 375 1HG2 THR A 25 23.283 8.367 -0.774 1.00 0.00 H ATOM 376 2HG2 THR A 25 22.112 7.118 -1.260 1.00 0.00 H ATOM 377 3HG2 THR A 25 21.983 7.885 0.340 1.00 0.00 H ATOM 378 N PHE A 26 20.589 5.041 -0.423 1.00 0.00 N ATOM 379 CA PHE A 26 19.671 4.656 -1.489 1.00 0.00 C ATOM 380 C PHE A 26 19.214 5.870 -2.287 1.00 0.00 C ATOM 381 O PHE A 26 18.737 6.853 -1.721 1.00 0.00 O ATOM 382 CB PHE A 26 18.453 3.933 -0.910 1.00 0.00 C ATOM 383 CG PHE A 26 18.803 2.752 -0.049 1.00 0.00 C ATOM 384 CD1 PHE A 26 19.110 2.921 1.293 1.00 0.00 C ATOM 385 CD2 PHE A 26 18.826 1.471 -0.579 1.00 0.00 C ATOM 386 CE1 PHE A 26 19.431 1.835 2.086 1.00 0.00 C ATOM 387 CE2 PHE A 26 19.146 0.384 0.211 1.00 0.00 C ATOM 388 CZ PHE A 26 19.450 0.567 1.545 1.00 0.00 C ATOM 389 H PHE A 26 20.234 5.554 0.370 1.00 0.00 H ATOM 390 HA PHE A 26 20.188 3.970 -2.161 1.00 0.00 H ATOM 391 1HB PHE A 26 17.867 4.629 -0.311 1.00 0.00 H ATOM 392 2HB PHE A 26 17.817 3.584 -1.723 1.00 0.00 H ATOM 393 HD1 PHE A 26 19.094 3.924 1.721 1.00 0.00 H ATOM 394 HD2 PHE A 26 18.587 1.327 -1.634 1.00 0.00 H ATOM 395 HE1 PHE A 26 19.671 1.982 3.139 1.00 0.00 H ATOM 396 HE2 PHE A 26 19.161 -0.617 -0.218 1.00 0.00 H ATOM 397 HZ PHE A 26 19.704 -0.288 2.169 1.00 0.00 H ATOM 398 N VAL A 27 19.363 5.796 -3.605 1.00 0.00 N ATOM 399 CA VAL A 27 19.060 6.927 -4.475 1.00 0.00 C ATOM 400 C VAL A 27 17.938 6.587 -5.448 1.00 0.00 C ATOM 401 O VAL A 27 18.039 5.632 -6.218 1.00 0.00 O ATOM 402 CB VAL A 27 20.314 7.343 -5.267 1.00 0.00 C ATOM 403 CG1 VAL A 27 20.005 8.530 -6.168 1.00 0.00 C ATOM 404 CG2 VAL A 27 21.446 7.676 -4.307 1.00 0.00 C ATOM 405 H VAL A 27 19.695 4.936 -4.015 1.00 0.00 H ATOM 406 HA VAL A 27 18.742 7.766 -3.855 1.00 0.00 H ATOM 407 HB VAL A 27 20.615 6.519 -5.913 1.00 0.00 H ATOM 408 1HG1 VAL A 27 20.902 8.810 -6.720 1.00 0.00 H ATOM 409 2HG1 VAL A 27 19.217 8.257 -6.870 1.00 0.00 H ATOM 410 3HG1 VAL A 27 19.675 9.372 -5.560 1.00 0.00 H ATOM 411 1HG2 VAL A 27 22.329 7.968 -4.873 1.00 0.00 H ATOM 412 2HG2 VAL A 27 21.142 8.497 -3.656 1.00 0.00 H ATOM 413 3HG2 VAL A 27 21.678 6.800 -3.700 1.00 0.00 H ATOM 414 N ALA A 28 16.869 7.374 -5.408 1.00 0.00 N ATOM 415 CA ALA A 28 15.737 7.177 -6.307 1.00 0.00 C ATOM 416 C ALA A 28 15.595 8.341 -7.277 1.00 0.00 C ATOM 417 O ALA A 28 15.334 9.474 -6.870 1.00 0.00 O ATOM 418 CB ALA A 28 14.453 6.992 -5.511 1.00 0.00 C ATOM 419 H ALA A 28 16.838 8.130 -4.737 1.00 0.00 H ATOM 420 HA ALA A 28 15.905 6.263 -6.878 1.00 0.00 H ATOM 421 1HB ALA A 28 13.618 6.847 -6.197 1.00 0.00 H ATOM 422 2HB ALA A 28 14.548 6.120 -4.864 1.00 0.00 H ATOM 423 3HB ALA A 28 14.273 7.877 -4.903 1.00 0.00 H ATOM 424 N THR A 29 15.769 8.058 -8.564 1.00 0.00 N ATOM 425 CA THR A 29 15.639 9.078 -9.598 1.00 0.00 C ATOM 426 C THR A 29 14.409 8.831 -10.462 1.00 0.00 C ATOM 427 O THR A 29 14.211 9.495 -11.480 1.00 0.00 O ATOM 428 CB THR A 29 16.894 9.129 -10.488 1.00 0.00 C ATOM 429 OG1 THR A 29 17.076 7.863 -11.136 1.00 0.00 O ATOM 430 CG2 THR A 29 18.126 9.450 -9.655 1.00 0.00 C ATOM 431 H THR A 29 15.998 7.112 -8.832 1.00 0.00 H ATOM 432 HA THR A 29 15.537 10.050 -9.114 1.00 0.00 H ATOM 433 HB THR A 29 16.768 9.897 -11.251 1.00 0.00 H ATOM 434 HG1 THR A 29 16.543 7.833 -11.934 1.00 0.00 H ATOM 435 1HG2 THR A 29 19.003 9.482 -10.301 1.00 0.00 H ATOM 436 2HG2 THR A 29 17.995 10.417 -9.171 1.00 0.00 H ATOM 437 3HG2 THR A 29 18.262 8.680 -8.897 1.00 0.00 H ATOM 438 N SER A 30 13.587 7.872 -10.052 1.00 0.00 N ATOM 439 CA SER A 30 12.397 7.506 -10.813 1.00 0.00 C ATOM 440 C SER A 30 11.353 6.851 -9.918 1.00 0.00 C ATOM 441 O SER A 30 11.635 6.493 -8.776 1.00 0.00 O ATOM 442 CB SER A 30 12.768 6.566 -11.943 1.00 0.00 C ATOM 443 OG SER A 30 13.192 5.326 -11.447 1.00 0.00 O ATOM 444 H SER A 30 13.789 7.384 -9.191 1.00 0.00 H ATOM 445 HA SER A 30 11.970 8.411 -11.245 1.00 0.00 H ATOM 446 1HB SER A 30 11.907 6.424 -12.596 1.00 0.00 H ATOM 447 2HB SER A 30 13.562 7.012 -12.541 1.00 0.00 H ATOM 448 HG SER A 30 13.434 4.803 -12.214 1.00 0.00 H ATOM 449 N ARG A 31 10.143 6.697 -10.446 1.00 0.00 N ATOM 450 CA ARG A 31 9.070 6.027 -9.720 1.00 0.00 C ATOM 451 C ARG A 31 9.435 4.583 -9.405 1.00 0.00 C ATOM 452 O ARG A 31 9.157 4.086 -8.314 1.00 0.00 O ATOM 453 CB ARG A 31 7.780 6.056 -10.526 1.00 0.00 C ATOM 454 CG ARG A 31 6.577 5.437 -9.831 1.00 0.00 C ATOM 455 CD ARG A 31 5.343 5.568 -10.647 1.00 0.00 C ATOM 456 NE ARG A 31 5.444 4.842 -11.903 1.00 0.00 N ATOM 457 CZ ARG A 31 4.496 4.833 -12.860 1.00 0.00 C ATOM 458 NH1 ARG A 31 3.385 5.515 -12.690 1.00 0.00 N ATOM 459 NH2 ARG A 31 4.683 4.139 -13.969 1.00 0.00 N ATOM 460 H ARG A 31 9.961 7.051 -11.375 1.00 0.00 H ATOM 461 HA ARG A 31 8.903 6.558 -8.782 1.00 0.00 H ATOM 462 1HB ARG A 31 7.526 7.086 -10.769 1.00 0.00 H ATOM 463 2HB ARG A 31 7.926 5.524 -11.467 1.00 0.00 H ATOM 464 1HG ARG A 31 6.763 4.377 -9.657 1.00 0.00 H ATOM 465 2HG ARG A 31 6.412 5.938 -8.876 1.00 0.00 H ATOM 466 1HD ARG A 31 4.495 5.171 -10.091 1.00 0.00 H ATOM 467 2HD ARG A 31 5.167 6.619 -10.874 1.00 0.00 H ATOM 468 HE ARG A 31 6.285 4.306 -12.069 1.00 0.00 H ATOM 469 1HH1 ARG A 31 3.242 6.045 -11.842 1.00 0.00 H ATOM 470 2HH1 ARG A 31 2.674 5.508 -13.408 1.00 0.00 H ATOM 471 1HH2 ARG A 31 5.538 3.615 -14.099 1.00 0.00 H ATOM 472 2HH2 ARG A 31 3.973 4.133 -14.686 1.00 0.00 H ATOM 473 N GLU A 32 10.060 3.912 -10.367 1.00 0.00 N ATOM 474 CA GLU A 32 10.428 2.511 -10.210 1.00 0.00 C ATOM 475 C GLU A 32 11.529 2.344 -9.169 1.00 0.00 C ATOM 476 O GLU A 32 11.482 1.433 -8.343 1.00 0.00 O ATOM 477 CB GLU A 32 10.885 1.927 -11.549 1.00 0.00 C ATOM 478 CG GLU A 32 9.792 1.844 -12.604 1.00 0.00 C ATOM 479 CD GLU A 32 9.493 3.173 -13.241 1.00 0.00 C ATOM 480 OE1 GLU A 32 10.253 4.090 -13.044 1.00 0.00 O ATOM 481 OE2 GLU A 32 8.502 3.271 -13.926 1.00 0.00 O ATOM 482 H GLU A 32 10.286 4.386 -11.231 1.00 0.00 H ATOM 483 HA GLU A 32 9.549 1.956 -9.880 1.00 0.00 H ATOM 484 1HB GLU A 32 11.696 2.534 -11.953 1.00 0.00 H ATOM 485 2HB GLU A 32 11.276 0.921 -11.392 1.00 0.00 H ATOM 486 1HG GLU A 32 10.102 1.144 -13.380 1.00 0.00 H ATOM 487 2HG GLU A 32 8.885 1.455 -12.144 1.00 0.00 H ATOM 488 N ALA A 33 12.518 3.230 -9.215 1.00 0.00 N ATOM 489 CA ALA A 33 13.612 3.206 -8.251 1.00 0.00 C ATOM 490 C ALA A 33 13.112 3.492 -6.842 1.00 0.00 C ATOM 491 O ALA A 33 13.512 2.830 -5.884 1.00 0.00 O ATOM 492 CB ALA A 33 14.686 4.210 -8.645 1.00 0.00 C ATOM 493 H ALA A 33 12.512 3.938 -9.935 1.00 0.00 H ATOM 494 HA ALA A 33 14.066 2.215 -8.268 1.00 0.00 H ATOM 495 1HB ALA A 33 15.496 4.181 -7.916 1.00 0.00 H ATOM 496 2HB ALA A 33 15.076 3.958 -9.631 1.00 0.00 H ATOM 497 3HB ALA A 33 14.257 5.211 -8.669 1.00 0.00 H ATOM 498 N ALA A 34 12.234 4.482 -6.721 1.00 0.00 N ATOM 499 CA ALA A 34 11.703 4.881 -5.423 1.00 0.00 C ATOM 500 C ALA A 34 10.867 3.767 -4.803 1.00 0.00 C ATOM 501 O ALA A 34 10.942 3.517 -3.600 1.00 0.00 O ATOM 502 CB ALA A 34 10.876 6.151 -5.557 1.00 0.00 C ATOM 503 H ALA A 34 11.927 4.972 -7.549 1.00 0.00 H ATOM 504 HA ALA A 34 12.540 5.100 -4.759 1.00 0.00 H ATOM 505 1HB ALA A 34 10.486 6.436 -4.579 1.00 0.00 H ATOM 506 2HB ALA A 34 11.502 6.954 -5.946 1.00 0.00 H ATOM 507 3HB ALA A 34 10.046 5.974 -6.239 1.00 0.00 H ATOM 508 N THR A 35 10.074 3.098 -5.634 1.00 0.00 N ATOM 509 CA THR A 35 9.197 2.032 -5.163 1.00 0.00 C ATOM 510 C THR A 35 10.000 0.875 -4.583 1.00 0.00 C ATOM 511 O THR A 35 9.714 0.398 -3.484 1.00 0.00 O ATOM 512 CB THR A 35 8.292 1.516 -6.297 1.00 0.00 C ATOM 513 OG1 THR A 35 7.501 2.596 -6.809 1.00 0.00 O ATOM 514 CG2 THR A 35 7.373 0.416 -5.788 1.00 0.00 C ATOM 515 H THR A 35 10.077 3.336 -6.615 1.00 0.00 H ATOM 516 HA THR A 35 8.550 2.435 -4.383 1.00 0.00 H ATOM 517 HB THR A 35 8.909 1.122 -7.104 1.00 0.00 H ATOM 518 HG1 THR A 35 8.060 3.191 -7.314 1.00 0.00 H ATOM 519 1HG2 THR A 35 6.742 0.064 -6.603 1.00 0.00 H ATOM 520 2HG2 THR A 35 7.972 -0.411 -5.408 1.00 0.00 H ATOM 521 3HG2 THR A 35 6.747 0.807 -4.987 1.00 0.00 H ATOM 522 N LYS A 36 11.008 0.429 -5.325 1.00 0.00 N ATOM 523 CA LYS A 36 11.827 -0.702 -4.907 1.00 0.00 C ATOM 524 C LYS A 36 12.618 -0.371 -3.647 1.00 0.00 C ATOM 525 O LYS A 36 12.747 -1.202 -2.748 1.00 0.00 O ATOM 526 CB LYS A 36 12.776 -1.121 -6.030 1.00 0.00 C ATOM 527 CG LYS A 36 12.090 -1.780 -7.220 1.00 0.00 C ATOM 528 CD LYS A 36 13.090 -2.119 -8.316 1.00 0.00 C ATOM 529 CE LYS A 36 12.404 -2.761 -9.512 1.00 0.00 C ATOM 530 NZ LYS A 36 13.367 -3.077 -10.602 1.00 0.00 N ATOM 531 H LYS A 36 11.210 0.885 -6.203 1.00 0.00 H ATOM 532 HA LYS A 36 11.169 -1.546 -4.694 1.00 0.00 H ATOM 533 1HB LYS A 36 13.315 -0.247 -6.397 1.00 0.00 H ATOM 534 2HB LYS A 36 13.515 -1.821 -5.640 1.00 0.00 H ATOM 535 1HG LYS A 36 11.597 -2.696 -6.894 1.00 0.00 H ATOM 536 2HG LYS A 36 11.336 -1.106 -7.624 1.00 0.00 H ATOM 537 1HD LYS A 36 13.595 -1.209 -8.642 1.00 0.00 H ATOM 538 2HD LYS A 36 13.838 -2.808 -7.925 1.00 0.00 H ATOM 539 1HE LYS A 36 11.914 -3.682 -9.199 1.00 0.00 H ATOM 540 2HE LYS A 36 11.643 -2.085 -9.902 1.00 0.00 H ATOM 541 1HZ LYS A 36 12.873 -3.500 -11.376 1.00 0.00 H ATOM 542 2HZ LYS A 36 13.814 -2.227 -10.914 1.00 0.00 H ATOM 543 3HZ LYS A 36 14.067 -3.719 -10.258 1.00 0.00 H ATOM 544 N ILE A 37 13.148 0.846 -3.590 1.00 0.00 N ATOM 545 CA ILE A 37 13.923 1.290 -2.438 1.00 0.00 C ATOM 546 C ILE A 37 13.038 1.456 -1.210 1.00 0.00 C ATOM 547 O ILE A 37 13.389 1.015 -0.116 1.00 0.00 O ATOM 548 CB ILE A 37 14.641 2.619 -2.737 1.00 0.00 C ATOM 549 CG1 ILE A 37 15.766 2.401 -3.752 1.00 0.00 C ATOM 550 CG2 ILE A 37 15.186 3.230 -1.456 1.00 0.00 C ATOM 551 CD1 ILE A 37 16.298 3.680 -4.358 1.00 0.00 C ATOM 552 H ILE A 37 13.010 1.479 -4.365 1.00 0.00 H ATOM 553 HA ILE A 37 14.684 0.539 -2.223 1.00 0.00 H ATOM 554 HB ILE A 37 13.938 3.317 -3.191 1.00 0.00 H ATOM 555 1HG1 ILE A 37 16.594 1.881 -3.271 1.00 0.00 H ATOM 556 2HG1 ILE A 37 15.408 1.765 -4.562 1.00 0.00 H ATOM 557 1HG2 ILE A 37 15.690 4.168 -1.686 1.00 0.00 H ATOM 558 2HG2 ILE A 37 14.365 3.419 -0.765 1.00 0.00 H ATOM 559 3HG2 ILE A 37 15.894 2.540 -0.997 1.00 0.00 H ATOM 560 1HD1 ILE A 37 17.092 3.444 -5.067 1.00 0.00 H ATOM 561 2HD1 ILE A 37 15.492 4.201 -4.876 1.00 0.00 H ATOM 562 3HD1 ILE A 37 16.694 4.318 -3.569 1.00 0.00 H ATOM 563 N LEU A 38 11.888 2.095 -1.397 1.00 0.00 N ATOM 564 CA LEU A 38 10.988 2.394 -0.289 1.00 0.00 C ATOM 565 C LEU A 38 10.422 1.118 0.321 1.00 0.00 C ATOM 566 O LEU A 38 10.230 1.031 1.533 1.00 0.00 O ATOM 567 CB LEU A 38 9.841 3.293 -0.765 1.00 0.00 C ATOM 568 CG LEU A 38 10.213 4.756 -1.042 1.00 0.00 C ATOM 569 CD1 LEU A 38 9.131 5.402 -1.896 1.00 0.00 C ATOM 570 CD2 LEU A 38 10.382 5.495 0.277 1.00 0.00 C ATOM 571 H LEU A 38 11.630 2.380 -2.331 1.00 0.00 H ATOM 572 HA LEU A 38 11.550 2.930 0.477 1.00 0.00 H ATOM 573 1HB LEU A 38 9.431 2.876 -1.684 1.00 0.00 H ATOM 574 2HB LEU A 38 9.057 3.288 -0.008 1.00 0.00 H ATOM 575 HG LEU A 38 11.147 4.794 -1.602 1.00 0.00 H ATOM 576 1HD1 LEU A 38 9.395 6.442 -2.093 1.00 0.00 H ATOM 577 2HD1 LEU A 38 9.044 4.866 -2.841 1.00 0.00 H ATOM 578 3HD1 LEU A 38 8.179 5.364 -1.368 1.00 0.00 H ATOM 579 1HD2 LEU A 38 10.647 6.534 0.081 1.00 0.00 H ATOM 580 2HD2 LEU A 38 9.448 5.458 0.838 1.00 0.00 H ATOM 581 3HD2 LEU A 38 11.173 5.023 0.860 1.00 0.00 H ATOM 582 N ARG A 39 10.156 0.131 -0.527 1.00 0.00 N ATOM 583 CA ARG A 39 9.714 -1.178 -0.063 1.00 0.00 C ATOM 584 C ARG A 39 10.717 -1.787 0.908 1.00 0.00 C ATOM 585 O ARG A 39 10.336 -2.396 1.908 1.00 0.00 O ATOM 586 CB ARG A 39 9.513 -2.122 -1.239 1.00 0.00 C ATOM 587 CG ARG A 39 8.234 -1.896 -2.030 1.00 0.00 C ATOM 588 CD ARG A 39 8.171 -2.766 -3.232 1.00 0.00 C ATOM 589 NE ARG A 39 6.924 -2.595 -3.960 1.00 0.00 N ATOM 590 CZ ARG A 39 6.679 -3.097 -5.186 1.00 0.00 C ATOM 591 NH1 ARG A 39 7.602 -3.798 -5.806 1.00 0.00 N ATOM 592 NH2 ARG A 39 5.510 -2.886 -5.765 1.00 0.00 N ATOM 593 H ARG A 39 10.264 0.291 -1.519 1.00 0.00 H ATOM 594 HA ARG A 39 8.758 -1.060 0.449 1.00 0.00 H ATOM 595 1HB ARG A 39 10.349 -2.026 -1.930 1.00 0.00 H ATOM 596 2HB ARG A 39 9.502 -3.152 -0.881 1.00 0.00 H ATOM 597 1HG ARG A 39 7.373 -2.119 -1.400 1.00 0.00 H ATOM 598 2HG ARG A 39 8.187 -0.857 -2.356 1.00 0.00 H ATOM 599 1HD ARG A 39 8.993 -2.520 -3.903 1.00 0.00 H ATOM 600 2HD ARG A 39 8.249 -3.810 -2.930 1.00 0.00 H ATOM 601 HE ARG A 39 6.189 -2.062 -3.515 1.00 0.00 H ATOM 602 1HH1 ARG A 39 8.496 -3.960 -5.363 1.00 0.00 H ATOM 603 2HH1 ARG A 39 7.418 -4.174 -6.725 1.00 0.00 H ATOM 604 1HH2 ARG A 39 4.799 -2.347 -5.288 1.00 0.00 H ATOM 605 2HH2 ARG A 39 5.326 -3.262 -6.683 1.00 0.00 H ATOM 606 N HIS A 40 12.000 -1.618 0.609 1.00 0.00 N ATOM 607 CA HIS A 40 13.061 -2.046 1.513 1.00 0.00 C ATOM 608 C HIS A 40 13.071 -1.210 2.787 1.00 0.00 C ATOM 609 O HIS A 40 13.106 -1.747 3.893 1.00 0.00 O ATOM 610 CB HIS A 40 14.427 -1.957 0.825 1.00 0.00 C ATOM 611 CG HIS A 40 15.579 -2.252 1.735 1.00 0.00 C ATOM 612 ND1 HIS A 40 15.869 -3.525 2.178 1.00 0.00 N ATOM 613 CD2 HIS A 40 16.511 -1.439 2.285 1.00 0.00 C ATOM 614 CE1 HIS A 40 16.933 -3.483 2.961 1.00 0.00 C ATOM 615 NE2 HIS A 40 17.341 -2.229 3.043 1.00 0.00 N ATOM 616 H HIS A 40 12.247 -1.181 -0.267 1.00 0.00 H ATOM 617 HA HIS A 40 12.887 -3.089 1.781 1.00 0.00 H ATOM 618 1HB HIS A 40 14.462 -2.659 -0.009 1.00 0.00 H ATOM 619 2HB HIS A 40 14.563 -0.956 0.416 1.00 0.00 H ATOM 620 HD1 HIS A 40 15.413 -4.369 1.894 1.00 0.00 H ATOM 621 HD2 HIS A 40 16.686 -0.365 2.225 1.00 0.00 H ATOM 622 HE1 HIS A 40 17.326 -4.393 3.414 1.00 0.00 H ATOM 623 N LEU A 41 13.039 0.109 2.622 1.00 0.00 N ATOM 624 CA LEU A 41 13.195 1.024 3.747 1.00 0.00 C ATOM 625 C LEU A 41 12.012 0.928 4.702 1.00 0.00 C ATOM 626 O LEU A 41 12.181 0.979 5.920 1.00 0.00 O ATOM 627 CB LEU A 41 13.335 2.465 3.241 1.00 0.00 C ATOM 628 CG LEU A 41 14.571 2.750 2.378 1.00 0.00 C ATOM 629 CD1 LEU A 41 14.450 4.136 1.758 1.00 0.00 C ATOM 630 CD2 LEU A 41 15.824 2.642 3.234 1.00 0.00 C ATOM 631 H LEU A 41 12.906 0.486 1.696 1.00 0.00 H ATOM 632 HA LEU A 41 14.104 0.758 4.287 1.00 0.00 H ATOM 633 1HB LEU A 41 12.455 2.714 2.651 1.00 0.00 H ATOM 634 2HB LEU A 41 13.371 3.134 4.102 1.00 0.00 H ATOM 635 HG LEU A 41 14.623 2.025 1.566 1.00 0.00 H ATOM 636 1HD1 LEU A 41 15.328 4.338 1.145 1.00 0.00 H ATOM 637 2HD1 LEU A 41 13.556 4.179 1.136 1.00 0.00 H ATOM 638 3HD1 LEU A 41 14.380 4.883 2.548 1.00 0.00 H ATOM 639 1HD2 LEU A 41 16.703 2.843 2.620 1.00 0.00 H ATOM 640 2HD2 LEU A 41 15.775 3.368 4.046 1.00 0.00 H ATOM 641 3HD2 LEU A 41 15.895 1.637 3.650 1.00 0.00 H ATOM 642 N LEU A 42 10.816 0.788 4.143 1.00 0.00 N ATOM 643 CA LEU A 42 9.589 0.868 4.927 1.00 0.00 C ATOM 644 C LEU A 42 9.192 -0.498 5.470 1.00 0.00 C ATOM 645 O LEU A 42 8.564 -0.599 6.524 1.00 0.00 O ATOM 646 CB LEU A 42 8.450 1.437 4.073 1.00 0.00 C ATOM 647 CG LEU A 42 8.686 2.839 3.496 1.00 0.00 C ATOM 648 CD1 LEU A 42 7.567 3.183 2.522 1.00 0.00 C ATOM 649 CD2 LEU A 42 8.754 3.850 4.631 1.00 0.00 C ATOM 650 H LEU A 42 10.754 0.621 3.148 1.00 0.00 H ATOM 651 HA LEU A 42 9.760 1.543 5.768 1.00 0.00 H ATOM 652 1HB LEU A 42 8.272 0.761 3.237 1.00 0.00 H ATOM 653 2HB LEU A 42 7.546 1.477 4.680 1.00 0.00 H ATOM 654 HG LEU A 42 9.626 2.851 2.943 1.00 0.00 H ATOM 655 1HD1 LEU A 42 7.736 4.179 2.112 1.00 0.00 H ATOM 656 2HD1 LEU A 42 7.555 2.455 1.711 1.00 0.00 H ATOM 657 3HD1 LEU A 42 6.612 3.162 3.044 1.00 0.00 H ATOM 658 1HD2 LEU A 42 8.922 4.846 4.221 1.00 0.00 H ATOM 659 2HD2 LEU A 42 7.814 3.839 5.184 1.00 0.00 H ATOM 660 3HD2 LEU A 42 9.572 3.590 5.302 1.00 0.00 H ATOM 661 N GLY A 43 9.560 -1.547 4.743 1.00 0.00 N ATOM 662 CA GLY A 43 9.192 -2.908 5.120 1.00 0.00 C ATOM 663 C GLY A 43 9.753 -3.270 6.489 1.00 0.00 C ATOM 664 O GLY A 43 10.804 -2.772 6.892 1.00 0.00 O ATOM 665 OXT GLY A 43 9.169 -4.051 7.188 1.00 0.00 O ATOM 666 H GLY A 43 10.109 -1.400 3.908 1.00 0.00 H ATOM 667 1HA GLY A 43 8.106 -3.001 5.131 1.00 0.00 H ATOM 668 2HA GLY A 43 9.567 -3.606 4.373 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE start01_0209_0002.pdb label fa_atr fa_rep fa_sol fa_intra_atr_xover4 fa_intra_rep_xover4 fa_intra_sol_xover4 lk_ball lk_ball_iso lk_ball_bridge lk_ball_bridge_uncpl fa_elec fa_intra_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun_dev fa_dun_rot fa_dun_semi p_aa_pp hxl_tors ref rama_prepro gen_bonded total weights 1 0.55 1 1 0.55 1 0.92 -0.38 -0.33 -0.33 1 1 1.25 1 1 1 1 1.25 0.48 0.69 0.76 0.78 0.61 1 1 0.5 1 NA pose -213.164 25.1529 136.805 -13.9603 7.16246 10.9154 77.7764 -87.5668 -0.46678 -3.39323 -58.9526 -16.5312 0 -21.9888 -5.59659 -1.33845 -3.32695 0 2.36232 4.56742 13.2039 29.4193 -12.8509 21.315 -5.46361 -1.13865 0 -117.059 THR:NtermProteinFull_1 -3.78335 0.2895 3.21152 -0.18748 0.1286 0.07441 1.61339 -1.65785 -0.01799 -0.14752 -1.37886 -1.09164 0 0 0 0 0 0 -0.00787 0.00368 0.08319 0 0 2.28529 -1.0874 0 0 -1.67035 GLU_2 -3.80502 0.3218 3.19356 -0.46318 0.26093 1.45417 1.6182 -1.75277 -0.02776 -0.15596 -1.82624 -2.95774 0 0 0 0 0 0 -0.05903 0.0105 0 4.00781 -0.32524 0 -2.7348 -0.23562 0 -3.47641 ALA_3 -6.43899 0.73911 2.50717 -0.02221 0 0 2.04593 -2.42554 -0.03063 -0.17208 -0.62319 -0.3666 0 0 0 0 0 0 -0.0017 0 0 0 -0.35562 0 1.8394 -0.3561 0 -3.66105 GLU_4 -5.44223 0.29553 5.52236 -0.21414 0.03728 0.31321 2.52932 -2.61324 -0.01799 -0.14752 -2.14333 -0.59875 0 0 0 0 -0.72163 0 0.07329 0.0568 0 3.14993 -0.23016 0 -2.7348 -0.21333 0 -3.09941 GLU_5 -3.63341 0.05627 4.41242 -0.21452 0.02525 0.29024 1.83718 -2.0241 -0.00039 -0.00825 -1.2348 -0.58184 0 0 0 0 0 0 0.00788 0.07965 0 3.02953 -0.2771 0 -2.7348 -0.30744 0 -1.27823 ILE_6 -6.8032 0.97478 4.03164 -0.51414 0.57385 0.10307 2.72766 -2.64414 -0 -0 -2.23085 -0.01286 0 0 0 0 0 0 -0.04551 0.14482 0.8634 0 -0.40602 0 0.73287 -0.18008 0 -2.6847 ALA_7 -7.05259 0.8441 3.65966 -0.02195 0 0 2.85737 -3.07497 -0.00016 -0.00098 -1.93301 -0.36258 0 0 0 0 0 0 0.07421 0 0 0 -0.31188 0 1.8394 -0.04612 0 -3.52951 GLN_8 -6.13651 0.5143 6.75739 -0.86227 0.12907 0.90982 3.08358 -3.07909 -0 -0 -2.85163 -0.76847 0 0 0 0 -0.94185 0 0.14694 0.02027 0 2.86306 -0.05797 0 -0.18838 -0.01568 0 -0.47744 HIS_D_9 -5.63272 0.47844 5.88265 -0.69765 0.012 0.74255 2.64986 -2.8802 -0.03505 -0.22689 -1.80671 -0.29167 0 0 0 0 0 0 -0.00941 0.02903 0 1.64773 -0.063 0 -0.45461 0.28194 0 -0.37372 ILE_10 -7.82819 0.62952 3.52606 -0.5152 0.62844 0.10155 2.54088 -2.8024 -0 -0 -1.69129 0.09908 0 0 0 0 0 0 -0.03217 0.0274 0.59985 0 -0.37419 0 0.73287 0.44435 0 -3.91345 ALA_11 -4.07847 0.39304 3.41696 -0.02194 0 0 1.81785 -2.12805 -0.00735 -0.1193 -1.32573 -0.35843 0 0 0 0 0 0 -0.04784 0 0 0 -0.2517 0 1.8394 0.13354 0 -0.73802 GLU_12 -4.22025 0.52937 5.25799 -0.21709 0.02974 0.30967 2.02206 -2.28479 -0.03505 -0.22689 -1.00757 -0.5981 0 0 0 0 0 0 -0.05788 0.19124 0 3.02479 -0.34502 0 -2.7348 -0.33365 0 -0.69622 LEU_13 -4.84369 0.70948 3.72823 -0.52378 0.5255 0.14264 1.4538 -1.99011 -0 -0 -0.8593 0.18238 0 0 0 0 0 0 0.08714 0.07976 0.18589 0 -0.08221 0 0.18072 -0.27901 0 -1.30256 ASN_14 -1.98242 0.35275 2.76286 -0.37921 0.09398 0.77023 1.09055 -1.30419 -0.00762 -0.12212 -0.93666 -0.88491 0 0 0 0 0 0 0.03543 0.00785 0 1.65905 -1.04647 0 -0.93687 -0.25694 0 -1.08472 THR_15 -3.32476 0.38611 1.9979 -0.2099 0.1667 0.07388 0.68448 -1.37074 -0.00029 -0.0029 -0.07694 -0.89822 0 0 0 0 0 0 0.02042 0.01488 1.20921 0 -0.74442 2.28698 -1.0874 -0.23278 0 -1.10779 THR_16 -3.00532 0.26015 0.70646 -0.17374 0.12387 0.06143 0.45501 -0.95992 -0.00405 -0.03657 -0.61534 -0.16218 0 0 0 0 0 0 -0.05001 0.00224 0.18664 0 -0.19612 2.29465 -1.0874 -0.02768 0 -2.22789 VAL_17 -5.46936 0.89889 1.34949 -0.2649 0.19407 0.05298 1.68802 -1.71717 -0 -0 -1.82533 -0.18811 0 0 0 0 0 0 -0.053 0.01203 0.46311 0 -0.77374 0 1.9342 -0.21606 0 -3.91489 THR_18 -4.09395 0.75329 0.91929 -0.11938 0.06831 0.08869 0.52868 -1.19447 -0 -0 -0.57847 -0.61135 0 0 0 0 0 0 0.09836 0.06699 0.30444 0 -0.24996 2.28832 -1.0874 -0.34338 0 -3.16198 TRP_19 -9.93259 1.60382 1.51624 -1.0239 0.20067 0.8149 2.37462 -2.49803 -0 -0 -2.03152 -0.03184 0 0 0 0 0 0 0.05886 0.58623 0 2.31454 -0.09912 0 1.6906 -0.214 0 -4.67051 VAL_20 -3.29307 0.25396 1.09267 -0.27561 0.19461 0.05972 0.43373 -1.09508 -0 -0 -0.54192 -0.32691 0 0 0 0 0 0 0.94659 0.01248 0.21776 0 -0.74047 0 1.9342 -0.25783 0 -1.38519 ILE_21 -3.26055 0.41545 2.38954 -0.49975 0.78541 0.12133 1.26012 -1.37012 -0.01358 -0.10204 -1.55667 -0.18216 0 0 0 0 0 0 0.35233 0.02788 0.26219 0 -0.43481 0 0.73287 0.00356 0 -1.069 GLY_22 -1.35366 0.05726 1.13104 -0.00019 0 0 0.26159 -0.71937 -0 -0 0.43113 -0.32703 0 0 0 0 0 0 -0.3192 0 0 0 -1.33433 0 0.83697 0.7683 0 -0.56749 THR_23 -1.21841 0.0717 1.43632 -0.12646 0.06009 0.07836 0.18705 -0.74576 -0.03286 -0.29977 -0.14053 -1.02491 0 0 0 0 0 0 -0.04633 0.01402 0.04119 0 -0.49076 2.32897 -1.0874 0.39762 0 -0.59788 THR_24 -3.54934 0.21586 3.16683 -0.17921 0.12998 0.06637 1.75463 -1.7804 -0.05259 -0.4263 -1.4264 -0.16399 0 0 0 0 0 0 -0.03605 0.00602 0.10092 0 0.01654 2.28694 -1.0874 -0.18095 0 -1.13855 THR_25 -3.61337 0.27646 1.00874 -0.17234 0.11812 0.06063 0.48962 -1.17335 -0.00546 -0.01706 -0.2719 -0.19784 0 0 0 0 0 0 0.03786 0.00521 0.18585 0 -0.18525 2.29025 -1.0874 -0.00788 0 -2.2591 PHE_26 -7.97626 1.20224 2.08351 -0.63166 0.10607 0.37652 2.45646 -2.16939 -0.0219 -0.07919 -2.52494 0.17406 0 0 0 0 0 0 0.1005 0.73663 0 2.19064 -0.0877 0 1.0402 -0.13981 0 -3.16403 VAL_27 -3.80898 0.44509 0.16835 -0.27765 0.19159 0.06007 0.25647 -1.06471 -0.00892 -0.03018 -0.32283 -0.29788 0 0 0 0 0 0 -0.00095 0.04583 0.19601 0 -0.73884 0 1.9342 -0.34703 0 -3.60034 ALA_28 -5.06903 0.94168 1.24651 -0.02716 0.002 0 2.20186 -1.91444 -0.01668 -0.08247 -1.19717 -0.409 0 0 0 0 0 0 0.0265 0 0 0 0.62193 0 1.8394 0.15647 0 -1.67959 THR_29 -2.10412 0.14204 1.00701 -0.12723 0.06034 0.0802 0.32827 -0.79995 -0.03193 -0.31063 -0.26877 -1.0562 0 0 0 0 0 0 -0.04311 0.01118 0.03759 0 -0.46722 2.36448 -1.0874 0.21433 0 -2.05112 SER_30 -3.7307 0.14889 4.27128 -0.02567 0 0.06153 2.81065 -2.24148 -0.02532 -0.28863 -1.68541 -0.34683 0 0 0 -0.66923 0 0 -0.00986 0.00066 0.0354 0 -0.55928 0.60186 -0.77834 -0.30621 0 -2.73668 ARG_31 -6.14735 0.49248 5.41589 -0.76235 0.13687 0.51672 2.40274 -2.65406 -0.00226 -0.00848 -3.54421 0.39734 0 0 0 0 -0.94185 0 -0.04979 0.10876 2.79569 0 -0.10667 0 -1.2888 -0.15912 0 -3.39844 GLU_32 -4.1911 0.15325 5.68805 -0.46622 0.21885 1.45709 1.91788 -2.42815 -0.03101 -0.1654 -2.14495 -2.61111 0 0 0 0 0 0 0.09586 0.03542 0 3.88818 -0.19633 0 -2.7348 -0.1256 0 -1.64011 ALA_33 -4.98657 0.26755 3.57504 -0.02126 0 0 2.55749 -2.48858 -0.02875 -0.15692 -0.95117 -0.34601 0 0 0 -0.66923 0 0 -0.03581 0 0 0 -0.08738 0 1.8394 -0.0258 0 -1.55799 ALA_34 -6.7012 1.28315 3.29318 -0.02175 0 0 2.67843 -2.92368 -0 -0 -2.31473 -0.35307 0 0 0 0 0 0 -0.04449 0 0 0 -0.15114 0 1.8394 0.0401 0 -3.37579 THR_35 -7.45074 0.73753 6.15301 -0.19995 0.12672 0.07181 3.22422 -3.3583 -0.00342 -0.02534 -3.20998 -0.06693 0 0 0 0 0 0 -0.01507 0.08926 0.05457 0 -0.02204 2.28723 -1.0874 0.37827 0 -2.31657 LYS_36 -4.18558 0.11003 4.64476 -0.3062 0.02914 0.13786 1.78582 -2.10946 -0 -0 -1.45302 -0.01384 0 0 0 0 0 0 0.00318 0.01009 1.76467 0 -0.01012 0 -1.5107 0.31016 0 -0.79321 ILE_37 -8.80097 1.84668 3.93058 -0.513 0.59922 0.10148 2.87033 -2.98256 -0 -0 -2.2215 0.07643 0 0 0 0 0 0 0.0089 0.23894 0.61679 0 -0.47375 0 0.73287 0.0226 0 -3.94695 LEU_38 -10.6644 1.98716 3.76069 -0.49105 0.28367 0.12272 3.52932 -3.413 -0 -0 -2.55087 0.18986 0 0 0 0 0 0 0.39077 0.85091 0.29801 0 -0.30666 0 0.18072 0.07345 0 -5.75872 ARG_39 -6.21172 0.58368 5.82158 -0.44165 0.05718 0.21605 2.74946 -2.89366 -0 -0 -2.47281 0.38297 0 0 0 0 -0.72163 0 0.39332 0.39493 2.09161 0 -0.15572 0 -1.2888 0.001 0 -1.49419 HIS_D_40 -4.19772 0.36578 4.07251 -0.7358 0.01615 0.78248 1.77678 -2.08782 -0.00388 -0.01692 -0.31101 -0.28963 0 0 0 0 0 0 0.14489 0.19647 0 1.64406 -0.1886 0 -0.45461 0.34282 0 1.05596 LEU_41 -7.13793 1.49528 2.1473 -0.50387 0.43443 0.11663 1.55986 -1.94653 -0 -0 -0.40288 0.26751 0 0 0 0 0 0 0.27461 0.28218 0.36158 0 -0.28035 0 0.18072 0.24854 0 -2.90294 LEU_42 -4.61671 0.58662 2.36741 -0.50742 0.41376 0.12438 1.45364 -1.66423 -0 -0 -1.07796 0.18595 0 0 0 0 0 0 -0.05042 0.16718 0.24835 0 -0.28203 0 0.18072 -0.08822 0 -2.55899 GLY:CtermProteinFull_43 -1.38752 0.04287 2.57292 -0.00022 0 0 1.2115 -1.14099 -0.00388 -0.01692 0.18462 0.29184 0 0 0 0 0 0 0 0 0 0 0 0 0.83697 -0.05939 0 2.53179 #END_POSE_ENERGIES_TABLE start01_0209_0002.pdb score_per_res -2.22093 total_score -95.5
HEEH_KT_rd6_1415.pdb
ATOM 1 N SER A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA SER A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C SER A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O SER A 1 2.448 1.926 -1.033 1.00 0.00 O ATOM 5 CB SER A 1 1.980 -0.754 -1.207 1.00 0.00 C ATOM 6 OG SER A 1 1.579 -2.096 -1.173 1.00 0.00 O ATOM 7 1H SER A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 8 2H SER A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 9 3H SER A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 10 HA SER A 1 1.804 -0.509 0.900 1.00 0.00 H ATOM 11 1HB SER A 1 1.610 -0.284 -2.118 1.00 0.00 H ATOM 12 2HB SER A 1 3.067 -0.698 -1.229 1.00 0.00 H ATOM 13 HG SER A 1 1.956 -2.506 -1.955 1.00 0.00 H ATOM 14 N GLU A 2 1.983 2.059 1.164 1.00 0.00 N ATOM 15 CA GLU A 2 2.394 3.453 1.282 1.00 0.00 C ATOM 16 C GLU A 2 3.873 3.621 0.962 1.00 0.00 C ATOM 17 O GLU A 2 4.280 4.618 0.366 1.00 0.00 O ATOM 18 CB GLU A 2 2.105 3.977 2.691 1.00 0.00 C ATOM 19 CG GLU A 2 0.626 4.130 3.015 1.00 0.00 C ATOM 20 CD GLU A 2 0.380 4.604 4.420 1.00 0.00 C ATOM 21 OE1 GLU A 2 1.331 4.766 5.147 1.00 0.00 O ATOM 22 OE2 GLU A 2 -0.760 4.803 4.768 1.00 0.00 O ATOM 23 H GLU A 2 1.671 1.567 1.990 1.00 0.00 H ATOM 24 HA GLU A 2 1.813 4.046 0.575 1.00 0.00 H ATOM 25 1HB GLU A 2 2.541 3.300 3.427 1.00 0.00 H ATOM 26 2HB GLU A 2 2.579 4.950 2.822 1.00 0.00 H ATOM 27 1HG GLU A 2 0.185 4.845 2.320 1.00 0.00 H ATOM 28 2HG GLU A 2 0.132 3.171 2.868 1.00 0.00 H ATOM 29 N GLU A 3 4.675 2.639 1.359 1.00 0.00 N ATOM 30 CA GLU A 3 6.117 2.698 1.156 1.00 0.00 C ATOM 31 C GLU A 3 6.463 2.738 -0.327 1.00 0.00 C ATOM 32 O GLU A 3 7.376 3.453 -0.741 1.00 0.00 O ATOM 33 CB GLU A 3 6.798 1.497 1.817 1.00 0.00 C ATOM 34 CG GLU A 3 6.698 1.475 3.336 1.00 0.00 C ATOM 35 CD GLU A 3 5.383 0.937 3.827 1.00 0.00 C ATOM 36 OE1 GLU A 3 4.584 0.539 3.014 1.00 0.00 O ATOM 37 OE2 GLU A 3 5.177 0.925 5.018 1.00 0.00 O ATOM 38 H GLU A 3 4.274 1.831 1.814 1.00 0.00 H ATOM 39 HA GLU A 3 6.496 3.605 1.629 1.00 0.00 H ATOM 40 1HB GLU A 3 6.357 0.575 1.439 1.00 0.00 H ATOM 41 2HB GLU A 3 7.855 1.487 1.551 1.00 0.00 H ATOM 42 1HG GLU A 3 7.502 0.856 3.733 1.00 0.00 H ATOM 43 2HG GLU A 3 6.836 2.487 3.713 1.00 0.00 H ATOM 44 N GLU A 4 5.729 1.968 -1.122 1.00 0.00 N ATOM 45 CA GLU A 4 5.955 1.917 -2.561 1.00 0.00 C ATOM 46 C GLU A 4 5.573 3.234 -3.226 1.00 0.00 C ATOM 47 O GLU A 4 6.224 3.673 -4.174 1.00 0.00 O ATOM 48 CB GLU A 4 5.158 0.770 -3.186 1.00 0.00 C ATOM 49 CG GLU A 4 5.651 -0.619 -2.803 1.00 0.00 C ATOM 50 CD GLU A 4 4.846 -1.720 -3.435 1.00 0.00 C ATOM 51 OE1 GLU A 4 3.827 -1.428 -4.014 1.00 0.00 O ATOM 52 OE2 GLU A 4 5.251 -2.855 -3.340 1.00 0.00 O ATOM 53 H GLU A 4 4.994 1.404 -0.719 1.00 0.00 H ATOM 54 HA GLU A 4 7.015 1.730 -2.738 1.00 0.00 H ATOM 55 1HB GLU A 4 4.113 0.848 -2.887 1.00 0.00 H ATOM 56 2HB GLU A 4 5.195 0.850 -4.272 1.00 0.00 H ATOM 57 1HG GLU A 4 6.691 -0.722 -3.111 1.00 0.00 H ATOM 58 2HG GLU A 4 5.610 -0.721 -1.719 1.00 0.00 H ATOM 59 N LEU A 5 4.515 3.860 -2.723 1.00 0.00 N ATOM 60 CA LEU A 5 4.078 5.155 -3.231 1.00 0.00 C ATOM 61 C LEU A 5 5.121 6.232 -2.961 1.00 0.00 C ATOM 62 O LEU A 5 5.354 7.108 -3.795 1.00 0.00 O ATOM 63 CB LEU A 5 2.744 5.554 -2.588 1.00 0.00 C ATOM 64 CG LEU A 5 1.533 4.700 -2.984 1.00 0.00 C ATOM 65 CD1 LEU A 5 0.341 5.074 -2.114 1.00 0.00 C ATOM 66 CD2 LEU A 5 1.222 4.911 -4.458 1.00 0.00 C ATOM 67 H LEU A 5 4.000 3.428 -1.970 1.00 0.00 H ATOM 68 HA LEU A 5 3.931 5.073 -4.309 1.00 0.00 H ATOM 69 1HB LEU A 5 2.849 5.498 -1.506 1.00 0.00 H ATOM 70 2HB LEU A 5 2.523 6.587 -2.858 1.00 0.00 H ATOM 71 HG LEU A 5 1.757 3.647 -2.808 1.00 0.00 H ATOM 72 1HD1 LEU A 5 -0.519 4.466 -2.395 1.00 0.00 H ATOM 73 2HD1 LEU A 5 0.584 4.894 -1.066 1.00 0.00 H ATOM 74 3HD1 LEU A 5 0.103 6.127 -2.256 1.00 0.00 H ATOM 75 1HD2 LEU A 5 0.362 4.303 -4.739 1.00 0.00 H ATOM 76 2HD2 LEU A 5 0.997 5.963 -4.635 1.00 0.00 H ATOM 77 3HD2 LEU A 5 2.085 4.619 -5.057 1.00 0.00 H ATOM 78 N GLU A 6 5.747 6.164 -1.791 1.00 0.00 N ATOM 79 CA GLU A 6 6.785 7.117 -1.420 1.00 0.00 C ATOM 80 C GLU A 6 7.982 7.021 -2.359 1.00 0.00 C ATOM 81 O GLU A 6 8.542 8.036 -2.772 1.00 0.00 O ATOM 82 CB GLU A 6 7.236 6.879 0.023 1.00 0.00 C ATOM 83 CG GLU A 6 6.218 7.293 1.076 1.00 0.00 C ATOM 84 CD GLU A 6 6.716 7.095 2.481 1.00 0.00 C ATOM 85 OE1 GLU A 6 7.800 6.589 2.641 1.00 0.00 O ATOM 86 OE2 GLU A 6 6.010 7.452 3.395 1.00 0.00 O ATOM 87 H GLU A 6 5.497 5.431 -1.142 1.00 0.00 H ATOM 88 HA GLU A 6 6.370 8.123 -1.485 1.00 0.00 H ATOM 89 1HB GLU A 6 7.454 5.821 0.167 1.00 0.00 H ATOM 90 2HB GLU A 6 8.157 7.431 0.212 1.00 0.00 H ATOM 91 1HG GLU A 6 5.972 8.345 0.935 1.00 0.00 H ATOM 92 2HG GLU A 6 5.307 6.713 0.933 1.00 0.00 H ATOM 93 N GLU A 7 8.369 5.794 -2.691 1.00 0.00 N ATOM 94 CA GLU A 7 9.521 5.562 -3.553 1.00 0.00 C ATOM 95 C GLU A 7 9.312 6.183 -4.929 1.00 0.00 C ATOM 96 O GLU A 7 10.221 6.797 -5.488 1.00 0.00 O ATOM 97 CB GLU A 7 9.787 4.062 -3.695 1.00 0.00 C ATOM 98 CG GLU A 7 10.365 3.405 -2.450 1.00 0.00 C ATOM 99 CD GLU A 7 10.603 1.931 -2.623 1.00 0.00 C ATOM 100 OE1 GLU A 7 10.241 1.406 -3.648 1.00 0.00 O ATOM 101 OE2 GLU A 7 11.148 1.329 -1.728 1.00 0.00 O ATOM 102 H GLU A 7 7.853 5.002 -2.335 1.00 0.00 H ATOM 103 HA GLU A 7 10.398 6.019 -3.093 1.00 0.00 H ATOM 104 1HB GLU A 7 8.858 3.549 -3.943 1.00 0.00 H ATOM 105 2HB GLU A 7 10.484 3.892 -4.517 1.00 0.00 H ATOM 106 1HG GLU A 7 11.311 3.888 -2.203 1.00 0.00 H ATOM 107 2HG GLU A 7 9.680 3.563 -1.618 1.00 0.00 H ATOM 108 N PHE A 8 8.110 6.020 -5.470 1.00 0.00 N ATOM 109 CA PHE A 8 7.758 6.621 -6.751 1.00 0.00 C ATOM 110 C PHE A 8 7.893 8.138 -6.704 1.00 0.00 C ATOM 111 O PHE A 8 8.576 8.736 -7.534 1.00 0.00 O ATOM 112 CB PHE A 8 6.329 6.244 -7.144 1.00 0.00 C ATOM 113 CG PHE A 8 5.833 6.947 -8.375 1.00 0.00 C ATOM 114 CD1 PHE A 8 5.998 6.378 -9.630 1.00 0.00 C ATOM 115 CD2 PHE A 8 5.202 8.178 -8.282 1.00 0.00 C ATOM 116 CE1 PHE A 8 5.542 7.024 -10.763 1.00 0.00 C ATOM 117 CE2 PHE A 8 4.744 8.825 -9.414 1.00 0.00 C ATOM 118 CZ PHE A 8 4.915 8.247 -10.656 1.00 0.00 C ATOM 119 H PHE A 8 7.421 5.467 -4.980 1.00 0.00 H ATOM 120 HA PHE A 8 8.436 6.233 -7.513 1.00 0.00 H ATOM 121 1HB PHE A 8 6.272 5.170 -7.319 1.00 0.00 H ATOM 122 2HB PHE A 8 5.652 6.478 -6.323 1.00 0.00 H ATOM 123 HD1 PHE A 8 6.493 5.410 -9.715 1.00 0.00 H ATOM 124 HD2 PHE A 8 5.067 8.634 -7.301 1.00 0.00 H ATOM 125 HE1 PHE A 8 5.679 6.566 -11.743 1.00 0.00 H ATOM 126 HE2 PHE A 8 4.249 9.792 -9.327 1.00 0.00 H ATOM 127 HZ PHE A 8 4.557 8.757 -11.548 1.00 0.00 H ATOM 128 N ALA A 9 7.237 8.755 -5.727 1.00 0.00 N ATOM 129 CA ALA A 9 7.170 10.209 -5.648 1.00 0.00 C ATOM 130 C ALA A 9 8.560 10.818 -5.512 1.00 0.00 C ATOM 131 O ALA A 9 8.861 11.844 -6.121 1.00 0.00 O ATOM 132 CB ALA A 9 6.289 10.636 -4.484 1.00 0.00 C ATOM 133 H ALA A 9 6.771 8.202 -5.021 1.00 0.00 H ATOM 134 HA ALA A 9 6.712 10.585 -6.564 1.00 0.00 H ATOM 135 1HB ALA A 9 6.248 11.725 -4.439 1.00 0.00 H ATOM 136 2HB ALA A 9 5.282 10.242 -4.626 1.00 0.00 H ATOM 137 3HB ALA A 9 6.702 10.250 -3.554 1.00 0.00 H ATOM 138 N LYS A 10 9.404 10.179 -4.709 1.00 0.00 N ATOM 139 CA LYS A 10 10.756 10.670 -4.472 1.00 0.00 C ATOM 140 C LYS A 10 11.556 10.724 -5.766 1.00 0.00 C ATOM 141 O LYS A 10 12.173 11.741 -6.083 1.00 0.00 O ATOM 142 CB LYS A 10 11.474 9.792 -3.446 1.00 0.00 C ATOM 143 CG LYS A 10 10.987 9.972 -2.014 1.00 0.00 C ATOM 144 CD LYS A 10 11.633 8.959 -1.079 1.00 0.00 C ATOM 145 CE LYS A 10 11.171 9.157 0.357 1.00 0.00 C ATOM 146 NZ LYS A 10 11.714 8.111 1.265 1.00 0.00 N ATOM 147 H LYS A 10 9.100 9.332 -4.250 1.00 0.00 H ATOM 148 HA LYS A 10 10.691 11.677 -4.059 1.00 0.00 H ATOM 149 1HB LYS A 10 11.346 8.742 -3.713 1.00 0.00 H ATOM 150 2HB LYS A 10 12.542 10.007 -3.466 1.00 0.00 H ATOM 151 1HG LYS A 10 11.232 10.978 -1.670 1.00 0.00 H ATOM 152 2HG LYS A 10 9.906 9.848 -1.978 1.00 0.00 H ATOM 153 1HD LYS A 10 11.373 7.950 -1.401 1.00 0.00 H ATOM 154 2HD LYS A 10 12.717 9.066 -1.120 1.00 0.00 H ATOM 155 1HE LYS A 10 11.495 10.133 0.712 1.00 0.00 H ATOM 156 2HE LYS A 10 10.082 9.124 0.396 1.00 0.00 H ATOM 157 1HZ LYS A 10 11.384 8.277 2.206 1.00 0.00 H ATOM 158 2HZ LYS A 10 11.403 7.200 0.955 1.00 0.00 H ATOM 159 3HZ LYS A 10 12.723 8.144 1.252 1.00 0.00 H ATOM 160 N GLU A 11 11.543 9.624 -6.511 1.00 0.00 N ATOM 161 CA GLU A 11 12.337 9.514 -7.729 1.00 0.00 C ATOM 162 C GLU A 11 11.907 10.547 -8.763 1.00 0.00 C ATOM 163 O GLU A 11 12.738 11.112 -9.472 1.00 0.00 O ATOM 164 CB GLU A 11 12.216 8.107 -8.319 1.00 0.00 C ATOM 165 CG GLU A 11 12.929 7.026 -7.519 1.00 0.00 C ATOM 166 CD GLU A 11 12.759 5.653 -8.108 1.00 0.00 C ATOM 167 OE1 GLU A 11 11.987 5.514 -9.027 1.00 0.00 O ATOM 168 OE2 GLU A 11 13.400 4.743 -7.639 1.00 0.00 O ATOM 169 H GLU A 11 10.968 8.844 -6.225 1.00 0.00 H ATOM 170 HA GLU A 11 13.384 9.686 -7.477 1.00 0.00 H ATOM 171 1HB GLU A 11 11.164 7.831 -8.389 1.00 0.00 H ATOM 172 2HB GLU A 11 12.624 8.100 -9.330 1.00 0.00 H ATOM 173 1HG GLU A 11 13.993 7.261 -7.478 1.00 0.00 H ATOM 174 2HG GLU A 11 12.545 7.029 -6.500 1.00 0.00 H ATOM 175 N VAL A 12 10.603 10.789 -8.842 1.00 0.00 N ATOM 176 CA VAL A 12 10.053 11.706 -9.833 1.00 0.00 C ATOM 177 C VAL A 12 10.261 13.156 -9.416 1.00 0.00 C ATOM 178 O VAL A 12 10.699 13.985 -10.214 1.00 0.00 O ATOM 179 CB VAL A 12 8.548 11.442 -10.028 1.00 0.00 C ATOM 180 CG1 VAL A 12 7.942 12.481 -10.960 1.00 0.00 C ATOM 181 CG2 VAL A 12 8.336 10.038 -10.574 1.00 0.00 C ATOM 182 H VAL A 12 9.977 10.326 -8.199 1.00 0.00 H ATOM 183 HA VAL A 12 10.565 11.538 -10.782 1.00 0.00 H ATOM 184 HB VAL A 12 8.044 11.539 -9.067 1.00 0.00 H ATOM 185 1HG1 VAL A 12 6.878 12.279 -11.086 1.00 0.00 H ATOM 186 2HG1 VAL A 12 8.073 13.474 -10.532 1.00 0.00 H ATOM 187 3HG1 VAL A 12 8.437 12.433 -11.929 1.00 0.00 H ATOM 188 1HG2 VAL A 12 7.270 9.858 -10.709 1.00 0.00 H ATOM 189 2HG2 VAL A 12 8.845 9.940 -11.533 1.00 0.00 H ATOM 190 3HG2 VAL A 12 8.741 9.309 -9.872 1.00 0.00 H ATOM 191 N LEU A 13 9.942 13.457 -8.162 1.00 0.00 N ATOM 192 CA LEU A 13 9.967 14.831 -7.674 1.00 0.00 C ATOM 193 C LEU A 13 11.391 15.370 -7.622 1.00 0.00 C ATOM 194 O LEU A 13 11.624 16.559 -7.845 1.00 0.00 O ATOM 195 CB LEU A 13 9.332 14.910 -6.280 1.00 0.00 C ATOM 196 CG LEU A 13 7.821 14.650 -6.222 1.00 0.00 C ATOM 197 CD1 LEU A 13 7.388 14.489 -4.771 1.00 0.00 C ATOM 198 CD2 LEU A 13 7.081 15.800 -6.890 1.00 0.00 C ATOM 199 H LEU A 13 9.675 12.716 -7.531 1.00 0.00 H ATOM 200 HA LEU A 13 9.384 15.452 -8.355 1.00 0.00 H ATOM 201 1HB LEU A 13 9.818 14.181 -5.635 1.00 0.00 H ATOM 202 2HB LEU A 13 9.512 15.904 -5.872 1.00 0.00 H ATOM 203 HG LEU A 13 7.592 13.720 -6.743 1.00 0.00 H ATOM 204 1HD1 LEU A 13 6.315 14.304 -4.730 1.00 0.00 H ATOM 205 2HD1 LEU A 13 7.918 13.648 -4.324 1.00 0.00 H ATOM 206 3HD1 LEU A 13 7.621 15.400 -4.220 1.00 0.00 H ATOM 207 1HD2 LEU A 13 6.007 15.614 -6.849 1.00 0.00 H ATOM 208 2HD2 LEU A 13 7.309 16.730 -6.369 1.00 0.00 H ATOM 209 3HD2 LEU A 13 7.396 15.880 -7.930 1.00 0.00 H ATOM 210 N ARG A 14 12.341 14.490 -7.324 1.00 0.00 N ATOM 211 CA ARG A 14 13.740 14.885 -7.202 1.00 0.00 C ATOM 212 C ARG A 14 14.325 15.265 -8.556 1.00 0.00 C ATOM 213 O ARG A 14 15.418 15.825 -8.635 1.00 0.00 O ATOM 214 CB ARG A 14 14.564 13.758 -6.597 1.00 0.00 C ATOM 215 CG ARG A 14 14.362 13.550 -5.104 1.00 0.00 C ATOM 216 CD ARG A 14 15.086 12.348 -4.615 1.00 0.00 C ATOM 217 NE ARG A 14 14.922 12.162 -3.182 1.00 0.00 N ATOM 218 CZ ARG A 14 15.363 11.091 -2.494 1.00 0.00 C ATOM 219 NH1 ARG A 14 15.991 10.121 -3.120 1.00 0.00 N ATOM 220 NH2 ARG A 14 15.163 11.016 -1.190 1.00 0.00 N ATOM 221 H ARG A 14 12.088 13.524 -7.180 1.00 0.00 H ATOM 222 HA ARG A 14 13.799 15.749 -6.540 1.00 0.00 H ATOM 223 1HB ARG A 14 14.320 12.821 -7.096 1.00 0.00 H ATOM 224 2HB ARG A 14 15.623 13.952 -6.763 1.00 0.00 H ATOM 225 1HG ARG A 14 14.735 14.419 -4.562 1.00 0.00 H ATOM 226 2HG ARG A 14 13.300 13.419 -4.895 1.00 0.00 H ATOM 227 1HD ARG A 14 14.703 11.462 -5.120 1.00 0.00 H ATOM 228 2HD ARG A 14 16.150 12.454 -4.825 1.00 0.00 H ATOM 229 HE ARG A 14 14.443 12.888 -2.666 1.00 0.00 H ATOM 230 1HH1 ARG A 14 16.144 10.179 -4.117 1.00 0.00 H ATOM 231 2HH1 ARG A 14 16.322 9.318 -2.605 1.00 0.00 H ATOM 232 1HH2 ARG A 14 14.680 11.762 -0.708 1.00 0.00 H ATOM 233 2HH2 ARG A 14 15.494 10.213 -0.674 1.00 0.00 H ATOM 234 N ARG A 15 13.591 14.957 -9.620 1.00 0.00 N ATOM 235 CA ARG A 15 14.041 15.256 -10.974 1.00 0.00 C ATOM 236 C ARG A 15 13.433 16.557 -11.482 1.00 0.00 C ATOM 237 O ARG A 15 13.664 16.958 -12.623 1.00 0.00 O ATOM 238 CB ARG A 15 13.675 14.124 -11.922 1.00 0.00 C ATOM 239 CG ARG A 15 14.428 12.824 -11.687 1.00 0.00 C ATOM 240 CD ARG A 15 13.900 11.723 -12.533 1.00 0.00 C ATOM 241 NE ARG A 15 14.124 11.971 -13.948 1.00 0.00 N ATOM 242 CZ ARG A 15 13.535 11.286 -14.948 1.00 0.00 C ATOM 243 NH1 ARG A 15 12.691 10.316 -14.672 1.00 0.00 N ATOM 244 NH2 ARG A 15 13.806 11.589 -16.205 1.00 0.00 N ATOM 245 H ARG A 15 12.697 14.505 -9.487 1.00 0.00 H ATOM 246 HA ARG A 15 15.126 15.360 -10.963 1.00 0.00 H ATOM 247 1HB ARG A 15 12.611 13.908 -11.837 1.00 0.00 H ATOM 248 2HB ARG A 15 13.865 14.434 -12.950 1.00 0.00 H ATOM 249 1HG ARG A 15 15.482 12.965 -11.927 1.00 0.00 H ATOM 250 2HG ARG A 15 14.329 12.530 -10.641 1.00 0.00 H ATOM 251 1HD ARG A 15 14.397 10.790 -12.268 1.00 0.00 H ATOM 252 2HD ARG A 15 12.828 11.621 -12.370 1.00 0.00 H ATOM 253 HE ARG A 15 14.767 12.710 -14.200 1.00 0.00 H ATOM 254 1HH1 ARG A 15 12.485 10.085 -13.710 1.00 0.00 H ATOM 255 2HH1 ARG A 15 12.250 9.803 -15.421 1.00 0.00 H ATOM 256 1HH2 ARG A 15 14.454 12.335 -16.417 1.00 0.00 H ATOM 257 2HH2 ARG A 15 13.365 11.076 -16.954 1.00 0.00 H ATOM 258 N GLY A 16 12.653 17.214 -10.629 1.00 0.00 N ATOM 259 CA GLY A 16 11.991 18.458 -10.998 1.00 0.00 C ATOM 260 C GLY A 16 10.717 18.190 -11.791 1.00 0.00 C ATOM 261 O GLY A 16 10.257 19.043 -12.551 1.00 0.00 O ATOM 262 H GLY A 16 12.516 16.840 -9.701 1.00 0.00 H ATOM 263 1HA GLY A 16 11.750 19.024 -10.098 1.00 0.00 H ATOM 264 2HA GLY A 16 12.670 19.070 -11.590 1.00 0.00 H ATOM 265 N ILE A 17 10.153 17.001 -11.610 1.00 0.00 N ATOM 266 CA ILE A 17 8.953 16.604 -12.338 1.00 0.00 C ATOM 267 C ILE A 17 7.723 16.660 -11.440 1.00 0.00 C ATOM 268 O ILE A 17 7.716 16.100 -10.344 1.00 0.00 O ATOM 269 CB ILE A 17 9.105 15.186 -12.916 1.00 0.00 C ATOM 270 CG1 ILE A 17 10.288 15.128 -13.886 1.00 0.00 C ATOM 271 CG2 ILE A 17 7.822 14.755 -13.611 1.00 0.00 C ATOM 272 CD1 ILE A 17 10.727 13.723 -14.231 1.00 0.00 C ATOM 273 H ILE A 17 10.566 16.355 -10.953 1.00 0.00 H ATOM 274 HA ILE A 17 8.810 17.293 -13.171 1.00 0.00 H ATOM 275 HB ILE A 17 9.323 14.486 -12.110 1.00 0.00 H ATOM 276 1HG1 ILE A 17 10.026 15.641 -14.810 1.00 0.00 H ATOM 277 2HG1 ILE A 17 11.140 15.653 -13.452 1.00 0.00 H ATOM 278 1HG2 ILE A 17 7.947 13.750 -14.014 1.00 0.00 H ATOM 279 2HG2 ILE A 17 7.002 14.758 -12.894 1.00 0.00 H ATOM 280 3HG2 ILE A 17 7.598 15.447 -14.423 1.00 0.00 H ATOM 281 1HD1 ILE A 17 11.569 13.765 -14.922 1.00 0.00 H ATOM 282 2HD1 ILE A 17 11.028 13.202 -13.322 1.00 0.00 H ATOM 283 3HD1 ILE A 17 9.901 13.190 -14.700 1.00 0.00 H ATOM 284 N THR A 18 6.682 17.338 -11.913 1.00 0.00 N ATOM 285 CA THR A 18 5.416 17.396 -11.194 1.00 0.00 C ATOM 286 C THR A 18 4.553 16.177 -11.497 1.00 0.00 C ATOM 287 O THR A 18 4.437 15.757 -12.648 1.00 0.00 O ATOM 288 CB THR A 18 4.639 18.679 -11.545 1.00 0.00 C ATOM 289 OG1 THR A 18 5.424 19.826 -11.196 1.00 0.00 O ATOM 290 CG2 THR A 18 3.318 18.725 -10.792 1.00 0.00 C ATOM 291 H THR A 18 6.771 17.825 -12.793 1.00 0.00 H ATOM 292 HA THR A 18 5.625 17.419 -10.124 1.00 0.00 H ATOM 293 HB THR A 18 4.441 18.703 -12.616 1.00 0.00 H ATOM 294 HG1 THR A 18 6.104 19.962 -11.860 1.00 0.00 H ATOM 295 1HG2 THR A 18 2.783 19.638 -11.052 1.00 0.00 H ATOM 296 2HG2 THR A 18 2.714 17.860 -11.064 1.00 0.00 H ATOM 297 3HG2 THR A 18 3.510 18.711 -9.720 1.00 0.00 H ATOM 298 N ILE A 19 3.950 15.612 -10.456 1.00 0.00 N ATOM 299 CA ILE A 19 3.117 14.424 -10.605 1.00 0.00 C ATOM 300 C ILE A 19 1.646 14.795 -10.733 1.00 0.00 C ATOM 301 O ILE A 19 1.106 15.526 -9.902 1.00 0.00 O ATOM 302 CB ILE A 19 3.305 13.468 -9.412 1.00 0.00 C ATOM 303 CG1 ILE A 19 4.754 12.979 -9.342 1.00 0.00 C ATOM 304 CG2 ILE A 19 2.347 12.292 -9.518 1.00 0.00 C ATOM 305 CD1 ILE A 19 5.124 12.356 -8.016 1.00 0.00 C ATOM 306 H ILE A 19 4.072 16.016 -9.539 1.00 0.00 H ATOM 307 HA ILE A 19 3.425 13.897 -11.510 1.00 0.00 H ATOM 308 HB ILE A 19 3.107 14.003 -8.484 1.00 0.00 H ATOM 309 1HG1 ILE A 19 4.927 12.243 -10.126 1.00 0.00 H ATOM 310 2HG1 ILE A 19 5.429 13.815 -9.526 1.00 0.00 H ATOM 311 1HG2 ILE A 19 2.493 11.626 -8.667 1.00 0.00 H ATOM 312 2HG2 ILE A 19 1.321 12.657 -9.520 1.00 0.00 H ATOM 313 3HG2 ILE A 19 2.540 11.747 -10.442 1.00 0.00 H ATOM 314 1HD1 ILE A 19 6.166 12.035 -8.043 1.00 0.00 H ATOM 315 2HD1 ILE A 19 4.992 13.090 -7.220 1.00 0.00 H ATOM 316 3HD1 ILE A 19 4.485 11.496 -7.827 1.00 0.00 H ATOM 317 N ILE A 20 1.002 14.287 -11.778 1.00 0.00 N ATOM 318 CA ILE A 20 -0.400 14.597 -12.038 1.00 0.00 C ATOM 319 C ILE A 20 -1.284 13.376 -11.812 1.00 0.00 C ATOM 320 O ILE A 20 -1.096 12.337 -12.444 1.00 0.00 O ATOM 321 CB ILE A 20 -0.591 15.110 -13.477 1.00 0.00 C ATOM 322 CG1 ILE A 20 0.383 16.254 -13.769 1.00 0.00 C ATOM 323 CG2 ILE A 20 -2.027 15.561 -13.694 1.00 0.00 C ATOM 324 CD1 ILE A 20 0.215 17.448 -12.856 1.00 0.00 C ATOM 325 H ILE A 20 1.495 13.671 -12.409 1.00 0.00 H ATOM 326 HA ILE A 20 -0.713 15.386 -11.354 1.00 0.00 H ATOM 327 HB ILE A 20 -0.360 14.312 -14.181 1.00 0.00 H ATOM 328 1HG1 ILE A 20 1.407 15.894 -13.674 1.00 0.00 H ATOM 329 2HG1 ILE A 20 0.250 16.592 -14.797 1.00 0.00 H ATOM 330 1HG2 ILE A 20 -2.145 15.921 -14.716 1.00 0.00 H ATOM 331 2HG2 ILE A 20 -2.701 14.722 -13.526 1.00 0.00 H ATOM 332 3HG2 ILE A 20 -2.266 16.364 -12.996 1.00 0.00 H ATOM 333 1HD1 ILE A 20 0.939 18.217 -13.126 1.00 0.00 H ATOM 334 2HD1 ILE A 20 -0.795 17.847 -12.962 1.00 0.00 H ATOM 335 3HD1 ILE A 20 0.378 17.142 -11.824 1.00 0.00 H ATOM 336 N VAL A 21 -2.247 13.510 -10.906 1.00 0.00 N ATOM 337 CA VAL A 21 -3.174 12.424 -10.609 1.00 0.00 C ATOM 338 C VAL A 21 -4.619 12.905 -10.654 1.00 0.00 C ATOM 339 O VAL A 21 -5.090 13.574 -9.735 1.00 0.00 O ATOM 340 CB VAL A 21 -2.876 11.833 -9.218 1.00 0.00 C ATOM 341 CG1 VAL A 21 -3.838 10.696 -8.906 1.00 0.00 C ATOM 342 CG2 VAL A 21 -1.435 11.352 -9.157 1.00 0.00 C ATOM 343 H VAL A 21 -2.340 14.386 -10.412 1.00 0.00 H ATOM 344 HA VAL A 21 -3.041 11.641 -11.355 1.00 0.00 H ATOM 345 HB VAL A 21 -3.035 12.604 -8.464 1.00 0.00 H ATOM 346 1HG1 VAL A 21 -3.614 10.290 -7.919 1.00 0.00 H ATOM 347 2HG1 VAL A 21 -4.861 11.071 -8.919 1.00 0.00 H ATOM 348 3HG1 VAL A 21 -3.728 9.911 -9.653 1.00 0.00 H ATOM 349 1HG2 VAL A 21 -1.231 10.936 -8.171 1.00 0.00 H ATOM 350 2HG2 VAL A 21 -1.275 10.585 -9.915 1.00 0.00 H ATOM 351 3HG2 VAL A 21 -0.763 12.191 -9.343 1.00 0.00 H ATOM 352 N ASN A 22 -5.316 12.562 -11.732 1.00 0.00 N ATOM 353 CA ASN A 22 -6.715 12.939 -11.891 1.00 0.00 C ATOM 354 C ASN A 22 -6.902 14.443 -11.733 1.00 0.00 C ATOM 355 O ASN A 22 -7.883 14.899 -11.144 1.00 0.00 O ATOM 356 CB ASN A 22 -7.587 12.186 -10.903 1.00 0.00 C ATOM 357 CG ASN A 22 -7.477 10.695 -11.055 1.00 0.00 C ATOM 358 OD1 ASN A 22 -7.219 10.188 -12.153 1.00 0.00 O ATOM 359 ND2 ASN A 22 -7.667 9.982 -9.974 1.00 0.00 N ATOM 360 H ASN A 22 -4.867 12.025 -12.459 1.00 0.00 H ATOM 361 HA ASN A 22 -7.031 12.679 -12.902 1.00 0.00 H ATOM 362 1HB ASN A 22 -7.303 12.458 -9.885 1.00 0.00 H ATOM 363 2HB ASN A 22 -8.629 12.478 -11.041 1.00 0.00 H ATOM 364 1HD2 ASN A 22 -7.606 8.984 -10.016 1.00 0.00 H ATOM 365 2HD2 ASN A 22 -7.874 10.434 -9.107 1.00 0.00 H ATOM 366 N GLY A 23 -5.955 15.210 -12.262 1.00 0.00 N ATOM 367 CA GLY A 23 -6.053 16.665 -12.253 1.00 0.00 C ATOM 368 C GLY A 23 -5.355 17.256 -11.034 1.00 0.00 C ATOM 369 O GLY A 23 -5.183 18.471 -10.935 1.00 0.00 O ATOM 370 H GLY A 23 -5.146 14.774 -12.681 1.00 0.00 H ATOM 371 1HA GLY A 23 -5.606 17.066 -13.162 1.00 0.00 H ATOM 372 2HA GLY A 23 -7.102 16.958 -12.254 1.00 0.00 H ATOM 373 N ILE A 24 -4.956 16.391 -10.109 1.00 0.00 N ATOM 374 CA ILE A 24 -4.272 16.826 -8.897 1.00 0.00 C ATOM 375 C ILE A 24 -2.791 17.067 -9.158 1.00 0.00 C ATOM 376 O ILE A 24 -2.103 16.216 -9.723 1.00 0.00 O ATOM 377 CB ILE A 24 -4.434 15.788 -7.772 1.00 0.00 C ATOM 378 CG1 ILE A 24 -5.916 15.578 -7.449 1.00 0.00 C ATOM 379 CG2 ILE A 24 -3.672 16.225 -6.531 1.00 0.00 C ATOM 380 CD1 ILE A 24 -6.190 14.348 -6.614 1.00 0.00 C ATOM 381 H ILE A 24 -5.132 15.406 -10.248 1.00 0.00 H ATOM 382 HA ILE A 24 -4.724 17.759 -8.561 1.00 0.00 H ATOM 383 HB ILE A 24 -4.045 14.826 -8.106 1.00 0.00 H ATOM 384 1HG1 ILE A 24 -6.298 16.446 -6.913 1.00 0.00 H ATOM 385 2HG1 ILE A 24 -6.482 15.492 -8.376 1.00 0.00 H ATOM 386 1HG2 ILE A 24 -3.798 15.480 -5.745 1.00 0.00 H ATOM 387 2HG2 ILE A 24 -2.614 16.325 -6.770 1.00 0.00 H ATOM 388 3HG2 ILE A 24 -4.058 17.185 -6.186 1.00 0.00 H ATOM 389 1HD1 ILE A 24 -7.261 14.266 -6.427 1.00 0.00 H ATOM 390 2HD1 ILE A 24 -5.847 13.461 -7.148 1.00 0.00 H ATOM 391 3HD1 ILE A 24 -5.662 14.427 -5.665 1.00 0.00 H ATOM 392 N ARG A 25 -2.304 18.232 -8.742 1.00 0.00 N ATOM 393 CA ARG A 25 -0.895 18.574 -8.900 1.00 0.00 C ATOM 394 C ARG A 25 -0.111 18.273 -7.629 1.00 0.00 C ATOM 395 O ARG A 25 -0.232 18.982 -6.631 1.00 0.00 O ATOM 396 CB ARG A 25 -0.737 20.045 -9.254 1.00 0.00 C ATOM 397 CG ARG A 25 -0.646 20.338 -10.743 1.00 0.00 C ATOM 398 CD ARG A 25 -1.936 20.085 -11.433 1.00 0.00 C ATOM 399 NE ARG A 25 -1.877 20.443 -12.841 1.00 0.00 N ATOM 400 CZ ARG A 25 -2.891 20.282 -13.715 1.00 0.00 C ATOM 401 NH1 ARG A 25 -4.032 19.770 -13.310 1.00 0.00 N ATOM 402 NH2 ARG A 25 -2.738 20.640 -14.978 1.00 0.00 N ATOM 403 H ARG A 25 -2.927 18.898 -8.308 1.00 0.00 H ATOM 404 HA ARG A 25 -0.483 17.977 -9.715 1.00 0.00 H ATOM 405 1HB ARG A 25 -1.583 20.607 -8.859 1.00 0.00 H ATOM 406 2HB ARG A 25 0.164 20.437 -8.784 1.00 0.00 H ATOM 407 1HG ARG A 25 -0.376 21.384 -10.892 1.00 0.00 H ATOM 408 2HG ARG A 25 0.115 19.700 -11.194 1.00 0.00 H ATOM 409 1HD ARG A 25 -2.186 19.027 -11.361 1.00 0.00 H ATOM 410 2HD ARG A 25 -2.722 20.676 -10.964 1.00 0.00 H ATOM 411 HE ARG A 25 -1.015 20.840 -13.190 1.00 0.00 H ATOM 412 1HH1 ARG A 25 -4.149 19.497 -12.345 1.00 0.00 H ATOM 413 2HH1 ARG A 25 -4.792 19.650 -13.964 1.00 0.00 H ATOM 414 1HH2 ARG A 25 -1.860 21.034 -15.289 1.00 0.00 H ATOM 415 2HH2 ARG A 25 -3.497 20.519 -15.632 1.00 0.00 H ATOM 416 N ILE A 26 0.693 17.216 -7.673 1.00 0.00 N ATOM 417 CA ILE A 26 1.458 16.787 -6.509 1.00 0.00 C ATOM 418 C ILE A 26 2.918 17.204 -6.625 1.00 0.00 C ATOM 419 O ILE A 26 3.594 16.872 -7.599 1.00 0.00 O ATOM 420 CB ILE A 26 1.372 15.260 -6.327 1.00 0.00 C ATOM 421 CG1 ILE A 26 -0.064 14.842 -6.000 1.00 0.00 C ATOM 422 CG2 ILE A 26 2.326 14.799 -5.237 1.00 0.00 C ATOM 423 CD1 ILE A 26 -0.803 14.229 -7.167 1.00 0.00 C ATOM 424 H ILE A 26 0.778 16.697 -8.536 1.00 0.00 H ATOM 425 HA ILE A 26 1.030 17.254 -5.622 1.00 0.00 H ATOM 426 HB ILE A 26 1.638 14.767 -7.262 1.00 0.00 H ATOM 427 1HG1 ILE A 26 -0.055 14.119 -5.184 1.00 0.00 H ATOM 428 2HG1 ILE A 26 -0.627 15.711 -5.659 1.00 0.00 H ATOM 429 1HG2 ILE A 26 2.252 13.718 -5.121 1.00 0.00 H ATOM 430 2HG2 ILE A 26 3.346 15.066 -5.510 1.00 0.00 H ATOM 431 3HG2 ILE A 26 2.064 15.283 -4.296 1.00 0.00 H ATOM 432 1HD1 ILE A 26 -1.813 13.959 -6.857 1.00 0.00 H ATOM 433 2HD1 ILE A 26 -0.855 14.950 -7.984 1.00 0.00 H ATOM 434 3HD1 ILE A 26 -0.277 13.337 -7.503 1.00 0.00 H ATOM 435 N THR A 27 3.401 17.932 -5.624 1.00 0.00 N ATOM 436 CA THR A 27 4.781 18.404 -5.615 1.00 0.00 C ATOM 437 C THR A 27 5.539 17.866 -4.409 1.00 0.00 C ATOM 438 O THR A 27 6.701 18.209 -4.191 1.00 0.00 O ATOM 439 CB THR A 27 4.841 19.943 -5.619 1.00 0.00 C ATOM 440 OG1 THR A 27 4.193 20.452 -4.446 1.00 0.00 O ATOM 441 CG2 THR A 27 4.153 20.500 -6.856 1.00 0.00 C ATOM 442 H THR A 27 2.796 18.165 -4.849 1.00 0.00 H ATOM 443 HA THR A 27 5.272 18.053 -6.522 1.00 0.00 H ATOM 444 HB THR A 27 5.881 20.267 -5.612 1.00 0.00 H ATOM 445 HG1 THR A 27 4.786 20.377 -3.695 1.00 0.00 H ATOM 446 1HG2 THR A 27 4.205 21.589 -6.842 1.00 0.00 H ATOM 447 2HG2 THR A 27 4.651 20.124 -7.750 1.00 0.00 H ATOM 448 3HG2 THR A 27 3.110 20.188 -6.864 1.00 0.00 H ATOM 449 N GLU A 28 4.875 17.023 -3.627 1.00 0.00 N ATOM 450 CA GLU A 28 5.466 16.479 -2.410 1.00 0.00 C ATOM 451 C GLU A 28 5.210 14.982 -2.293 1.00 0.00 C ATOM 452 O GLU A 28 4.246 14.461 -2.855 1.00 0.00 O ATOM 453 CB GLU A 28 4.908 17.199 -1.179 1.00 0.00 C ATOM 454 CG GLU A 28 5.128 18.705 -1.178 1.00 0.00 C ATOM 455 CD GLU A 28 4.642 19.366 0.081 1.00 0.00 C ATOM 456 OE1 GLU A 28 4.134 18.678 0.933 1.00 0.00 O ATOM 457 OE2 GLU A 28 4.778 20.562 0.191 1.00 0.00 O ATOM 458 H GLU A 28 3.937 16.749 -3.882 1.00 0.00 H ATOM 459 HA GLU A 28 6.543 16.649 -2.442 1.00 0.00 H ATOM 460 1HB GLU A 28 3.836 17.018 -1.107 1.00 0.00 H ATOM 461 2HB GLU A 28 5.370 16.792 -0.280 1.00 0.00 H ATOM 462 1HG GLU A 28 6.193 18.906 -1.292 1.00 0.00 H ATOM 463 2HG GLU A 28 4.611 19.138 -2.033 1.00 0.00 H ATOM 464 N VAL A 29 6.080 14.293 -1.561 1.00 0.00 N ATOM 465 CA VAL A 29 5.955 12.853 -1.378 1.00 0.00 C ATOM 466 C VAL A 29 4.770 12.511 -0.485 1.00 0.00 C ATOM 467 O VAL A 29 4.018 11.577 -0.765 1.00 0.00 O ATOM 468 CB VAL A 29 7.243 12.279 -0.758 1.00 0.00 C ATOM 469 CG1 VAL A 29 7.067 10.802 -0.437 1.00 0.00 C ATOM 470 CG2 VAL A 29 8.413 12.489 -1.707 1.00 0.00 C ATOM 471 H VAL A 29 6.846 14.781 -1.120 1.00 0.00 H ATOM 472 HA VAL A 29 5.802 12.392 -2.355 1.00 0.00 H ATOM 473 HB VAL A 29 7.441 12.791 0.183 1.00 0.00 H ATOM 474 1HG1 VAL A 29 7.987 10.413 0.001 1.00 0.00 H ATOM 475 2HG1 VAL A 29 6.248 10.679 0.272 1.00 0.00 H ATOM 476 3HG1 VAL A 29 6.842 10.255 -1.352 1.00 0.00 H ATOM 477 1HG2 VAL A 29 9.320 12.081 -1.262 1.00 0.00 H ATOM 478 2HG2 VAL A 29 8.211 11.981 -2.651 1.00 0.00 H ATOM 479 3HG2 VAL A 29 8.546 13.555 -1.891 1.00 0.00 H ATOM 480 N GLU A 30 4.608 13.272 0.591 1.00 0.00 N ATOM 481 CA GLU A 30 3.535 13.029 1.547 1.00 0.00 C ATOM 482 C GLU A 30 2.168 13.173 0.890 1.00 0.00 C ATOM 483 O GLU A 30 1.232 12.443 1.215 1.00 0.00 O ATOM 484 CB GLU A 30 3.647 13.993 2.731 1.00 0.00 C ATOM 485 CG GLU A 30 4.876 13.777 3.603 1.00 0.00 C ATOM 486 CD GLU A 30 6.125 14.369 3.011 1.00 0.00 C ATOM 487 OE1 GLU A 30 6.031 15.004 1.988 1.00 0.00 O ATOM 488 OE2 GLU A 30 7.174 14.184 3.582 1.00 0.00 O ATOM 489 H GLU A 30 5.244 14.041 0.751 1.00 0.00 H ATOM 490 HA GLU A 30 3.634 12.012 1.928 1.00 0.00 H ATOM 491 1HB GLU A 30 3.674 15.019 2.363 1.00 0.00 H ATOM 492 2HB GLU A 30 2.766 13.895 3.364 1.00 0.00 H ATOM 493 1HG GLU A 30 4.700 14.230 4.578 1.00 0.00 H ATOM 494 2HG GLU A 30 5.020 12.708 3.750 1.00 0.00 H ATOM 495 N ILE A 31 2.059 14.119 -0.037 1.00 0.00 N ATOM 496 CA ILE A 31 0.814 14.342 -0.762 1.00 0.00 C ATOM 497 C ILE A 31 0.497 13.173 -1.685 1.00 0.00 C ATOM 498 O ILE A 31 -0.630 12.678 -1.710 1.00 0.00 O ATOM 499 CB ILE A 31 0.882 15.641 -1.584 1.00 0.00 C ATOM 500 CG1 ILE A 31 0.951 16.857 -0.656 1.00 0.00 C ATOM 501 CG2 ILE A 31 -0.316 15.745 -2.515 1.00 0.00 C ATOM 502 CD1 ILE A 31 1.247 18.155 -1.371 1.00 0.00 C ATOM 503 H ILE A 31 2.860 14.698 -0.245 1.00 0.00 H ATOM 504 HA ILE A 31 0.006 14.445 -0.037 1.00 0.00 H ATOM 505 HB ILE A 31 1.795 15.648 -2.179 1.00 0.00 H ATOM 506 1HG1 ILE A 31 0.004 16.966 -0.129 1.00 0.00 H ATOM 507 2HG1 ILE A 31 1.726 16.699 0.095 1.00 0.00 H ATOM 508 1HG2 ILE A 31 -0.252 16.670 -3.088 1.00 0.00 H ATOM 509 2HG2 ILE A 31 -0.321 14.896 -3.196 1.00 0.00 H ATOM 510 3HG2 ILE A 31 -1.234 15.745 -1.927 1.00 0.00 H ATOM 511 1HD1 ILE A 31 1.280 18.970 -0.648 1.00 0.00 H ATOM 512 2HD1 ILE A 31 2.210 18.081 -1.878 1.00 0.00 H ATOM 513 3HD1 ILE A 31 0.466 18.353 -2.104 1.00 0.00 H ATOM 514 N PHE A 32 1.496 12.734 -2.441 1.00 0.00 N ATOM 515 CA PHE A 32 1.323 11.628 -3.375 1.00 0.00 C ATOM 516 C PHE A 32 0.689 10.424 -2.691 1.00 0.00 C ATOM 517 O PHE A 32 -0.258 9.830 -3.210 1.00 0.00 O ATOM 518 CB PHE A 32 2.669 11.225 -3.981 1.00 0.00 C ATOM 519 CG PHE A 32 2.567 10.139 -5.014 1.00 0.00 C ATOM 520 CD1 PHE A 32 2.066 10.409 -6.279 1.00 0.00 C ATOM 521 CD2 PHE A 32 2.971 8.845 -4.722 1.00 0.00 C ATOM 522 CE1 PHE A 32 1.972 9.410 -7.229 1.00 0.00 C ATOM 523 CE2 PHE A 32 2.879 7.845 -5.671 1.00 0.00 C ATOM 524 CZ PHE A 32 2.379 8.128 -6.926 1.00 0.00 C ATOM 525 H PHE A 32 2.401 13.178 -2.367 1.00 0.00 H ATOM 526 HA PHE A 32 0.667 11.957 -4.183 1.00 0.00 H ATOM 527 1HB PHE A 32 3.132 12.094 -4.447 1.00 0.00 H ATOM 528 2HB PHE A 32 3.336 10.883 -3.192 1.00 0.00 H ATOM 529 HD1 PHE A 32 1.746 11.423 -6.519 1.00 0.00 H ATOM 530 HD2 PHE A 32 3.366 8.621 -3.731 1.00 0.00 H ATOM 531 HE1 PHE A 32 1.577 9.636 -8.219 1.00 0.00 H ATOM 532 HE2 PHE A 32 3.201 6.832 -5.429 1.00 0.00 H ATOM 533 HZ PHE A 32 2.304 7.340 -7.674 1.00 0.00 H ATOM 534 N VAL A 33 1.215 10.067 -1.525 1.00 0.00 N ATOM 535 CA VAL A 33 0.736 8.900 -0.793 1.00 0.00 C ATOM 536 C VAL A 33 -0.730 9.055 -0.408 1.00 0.00 C ATOM 537 O VAL A 33 -1.531 8.138 -0.591 1.00 0.00 O ATOM 538 CB VAL A 33 1.578 8.685 0.479 1.00 0.00 C ATOM 539 CG1 VAL A 33 0.975 7.583 1.337 1.00 0.00 C ATOM 540 CG2 VAL A 33 3.012 8.350 0.100 1.00 0.00 C ATOM 541 H VAL A 33 1.966 10.618 -1.135 1.00 0.00 H ATOM 542 HA VAL A 33 0.839 8.024 -1.433 1.00 0.00 H ATOM 543 HB VAL A 33 1.562 9.599 1.073 1.00 0.00 H ATOM 544 1HG1 VAL A 33 1.582 7.445 2.232 1.00 0.00 H ATOM 545 2HG1 VAL A 33 -0.039 7.860 1.626 1.00 0.00 H ATOM 546 3HG1 VAL A 33 0.950 6.653 0.769 1.00 0.00 H ATOM 547 1HG2 VAL A 33 3.602 8.201 1.004 1.00 0.00 H ATOM 548 2HG2 VAL A 33 3.027 7.440 -0.499 1.00 0.00 H ATOM 549 3HG2 VAL A 33 3.437 9.171 -0.478 1.00 0.00 H ATOM 550 N LYS A 34 -1.076 10.222 0.126 1.00 0.00 N ATOM 551 CA LYS A 34 -2.451 10.507 0.517 1.00 0.00 C ATOM 552 C LYS A 34 -3.398 10.384 -0.669 1.00 0.00 C ATOM 553 O LYS A 34 -4.464 9.777 -0.565 1.00 0.00 O ATOM 554 CB LYS A 34 -2.555 11.905 1.130 1.00 0.00 C ATOM 555 CG LYS A 34 -3.954 12.285 1.597 1.00 0.00 C ATOM 556 CD LYS A 34 -3.965 13.660 2.247 1.00 0.00 C ATOM 557 CE LYS A 34 -5.370 14.062 2.671 1.00 0.00 C ATOM 558 NZ LYS A 34 -5.396 15.407 3.307 1.00 0.00 N ATOM 559 H LYS A 34 -0.369 10.928 0.266 1.00 0.00 H ATOM 560 HA LYS A 34 -2.751 9.788 1.280 1.00 0.00 H ATOM 561 1HB LYS A 34 -1.885 11.977 1.987 1.00 0.00 H ATOM 562 2HB LYS A 34 -2.233 12.647 0.399 1.00 0.00 H ATOM 563 1HG LYS A 34 -4.634 12.290 0.744 1.00 0.00 H ATOM 564 2HG LYS A 34 -4.309 11.549 2.317 1.00 0.00 H ATOM 565 1HD LYS A 34 -3.317 13.653 3.125 1.00 0.00 H ATOM 566 2HD LYS A 34 -3.584 14.399 1.542 1.00 0.00 H ATOM 567 1HE LYS A 34 -6.024 14.072 1.800 1.00 0.00 H ATOM 568 2HE LYS A 34 -5.759 13.331 3.381 1.00 0.00 H ATOM 569 1HZ LYS A 34 -6.344 15.635 3.573 1.00 0.00 H ATOM 570 2HZ LYS A 34 -4.807 15.404 4.128 1.00 0.00 H ATOM 571 3HZ LYS A 34 -5.056 16.096 2.652 1.00 0.00 H ATOM 572 N VAL A 35 -3.003 10.963 -1.798 1.00 0.00 N ATOM 573 CA VAL A 35 -3.844 10.973 -2.989 1.00 0.00 C ATOM 574 C VAL A 35 -4.046 9.564 -3.533 1.00 0.00 C ATOM 575 O VAL A 35 -5.170 9.156 -3.824 1.00 0.00 O ATOM 576 CB VAL A 35 -3.212 11.856 -4.082 1.00 0.00 C ATOM 577 CG1 VAL A 35 -3.964 11.697 -5.395 1.00 0.00 C ATOM 578 CG2 VAL A 35 -3.208 13.309 -3.634 1.00 0.00 C ATOM 579 H VAL A 35 -2.097 11.407 -1.832 1.00 0.00 H ATOM 580 HA VAL A 35 -4.816 11.388 -2.723 1.00 0.00 H ATOM 581 HB VAL A 35 -2.188 11.525 -4.256 1.00 0.00 H ATOM 582 1HG1 VAL A 35 -3.504 12.328 -6.156 1.00 0.00 H ATOM 583 2HG1 VAL A 35 -3.923 10.656 -5.715 1.00 0.00 H ATOM 584 3HG1 VAL A 35 -5.003 11.996 -5.258 1.00 0.00 H ATOM 585 1HG2 VAL A 35 -2.760 13.928 -4.411 1.00 0.00 H ATOM 586 2HG2 VAL A 35 -4.232 13.638 -3.455 1.00 0.00 H ATOM 587 3HG2 VAL A 35 -2.630 13.406 -2.715 1.00 0.00 H ATOM 588 N LEU A 36 -2.951 8.824 -3.668 1.00 0.00 N ATOM 589 CA LEU A 36 -2.994 7.493 -4.260 1.00 0.00 C ATOM 590 C LEU A 36 -3.638 6.489 -3.311 1.00 0.00 C ATOM 591 O LEU A 36 -4.334 5.571 -3.743 1.00 0.00 O ATOM 592 CB LEU A 36 -1.578 7.028 -4.623 1.00 0.00 C ATOM 593 CG LEU A 36 -1.137 7.303 -6.066 1.00 0.00 C ATOM 594 CD1 LEU A 36 -1.928 6.416 -7.017 1.00 0.00 C ATOM 595 CD2 LEU A 36 -1.346 8.775 -6.389 1.00 0.00 C ATOM 596 H LEU A 36 -2.065 9.195 -3.352 1.00 0.00 H ATOM 597 HA LEU A 36 -3.586 7.539 -5.174 1.00 0.00 H ATOM 598 1HB LEU A 36 -0.870 7.522 -3.960 1.00 0.00 H ATOM 599 2HB LEU A 36 -1.512 5.953 -4.455 1.00 0.00 H ATOM 600 HG LEU A 36 -0.081 7.054 -6.177 1.00 0.00 H ATOM 601 1HD1 LEU A 36 -1.614 6.611 -8.043 1.00 0.00 H ATOM 602 2HD1 LEU A 36 -1.745 5.369 -6.776 1.00 0.00 H ATOM 603 3HD1 LEU A 36 -2.991 6.631 -6.916 1.00 0.00 H ATOM 604 1HD2 LEU A 36 -1.032 8.971 -7.414 1.00 0.00 H ATOM 605 2HD2 LEU A 36 -2.402 9.025 -6.279 1.00 0.00 H ATOM 606 3HD2 LEU A 36 -0.756 9.385 -5.705 1.00 0.00 H ATOM 607 N ARG A 37 -3.401 6.671 -2.016 1.00 0.00 N ATOM 608 CA ARG A 37 -3.943 5.772 -1.005 1.00 0.00 C ATOM 609 C ARG A 37 -5.464 5.715 -1.078 1.00 0.00 C ATOM 610 O ARG A 37 -6.056 4.636 -1.055 1.00 0.00 O ATOM 611 CB ARG A 37 -3.522 6.216 0.388 1.00 0.00 C ATOM 612 CG ARG A 37 -4.056 5.356 1.523 1.00 0.00 C ATOM 613 CD ARG A 37 -3.527 5.794 2.840 1.00 0.00 C ATOM 614 NE ARG A 37 -3.947 7.146 3.171 1.00 0.00 N ATOM 615 CZ ARG A 37 -3.304 7.957 4.034 1.00 0.00 C ATOM 616 NH1 ARG A 37 -2.217 7.539 4.643 1.00 0.00 N ATOM 617 NH2 ARG A 37 -3.767 9.172 4.269 1.00 0.00 N ATOM 618 H ARG A 37 -2.830 7.451 -1.726 1.00 0.00 H ATOM 619 HA ARG A 37 -3.547 4.771 -1.182 1.00 0.00 H ATOM 620 1HB ARG A 37 -2.435 6.213 0.457 1.00 0.00 H ATOM 621 2HB ARG A 37 -3.858 7.238 0.562 1.00 0.00 H ATOM 622 1HG ARG A 37 -5.144 5.426 1.550 1.00 0.00 H ATOM 623 2HG ARG A 37 -3.763 4.318 1.363 1.00 0.00 H ATOM 624 1HD ARG A 37 -3.890 5.124 3.618 1.00 0.00 H ATOM 625 2HD ARG A 37 -2.438 5.770 2.820 1.00 0.00 H ATOM 626 HE ARG A 37 -4.780 7.503 2.722 1.00 0.00 H ATOM 627 1HH1 ARG A 37 -1.863 6.609 4.464 1.00 0.00 H ATOM 628 2HH1 ARG A 37 -1.735 8.146 5.290 1.00 0.00 H ATOM 629 1HH2 ARG A 37 -4.603 9.493 3.800 1.00 0.00 H ATOM 630 2HH2 ARG A 37 -3.286 9.779 4.915 1.00 0.00 H ATOM 631 N GLU A 38 -6.091 6.882 -1.165 1.00 0.00 N ATOM 632 CA GLU A 38 -7.543 6.966 -1.261 1.00 0.00 C ATOM 633 C GLU A 38 -8.046 6.365 -2.567 1.00 0.00 C ATOM 634 O GLU A 38 -9.066 5.677 -2.593 1.00 0.00 O ATOM 635 CB GLU A 38 -8.002 8.422 -1.149 1.00 0.00 C ATOM 636 CG GLU A 38 -7.839 9.027 0.238 1.00 0.00 C ATOM 637 CD GLU A 38 -8.327 10.447 0.318 1.00 0.00 C ATOM 638 OE1 GLU A 38 -8.641 11.006 -0.706 1.00 0.00 O ATOM 639 OE2 GLU A 38 -8.387 10.974 1.404 1.00 0.00 O ATOM 640 H GLU A 38 -5.548 7.734 -1.165 1.00 0.00 H ATOM 641 HA GLU A 38 -7.977 6.410 -0.430 1.00 0.00 H ATOM 642 1HB GLU A 38 -7.437 9.036 -1.850 1.00 0.00 H ATOM 643 2HB GLU A 38 -9.054 8.494 -1.424 1.00 0.00 H ATOM 644 1HG GLU A 38 -8.396 8.423 0.955 1.00 0.00 H ATOM 645 2HG GLU A 38 -6.787 8.994 0.517 1.00 0.00 H ATOM 646 N ILE A 39 -7.322 6.628 -3.650 1.00 0.00 N ATOM 647 CA ILE A 39 -7.686 6.103 -4.960 1.00 0.00 C ATOM 648 C ILE A 39 -7.624 4.581 -4.981 1.00 0.00 C ATOM 649 O ILE A 39 -8.540 3.920 -5.472 1.00 0.00 O ATOM 650 CB ILE A 39 -6.764 6.670 -6.055 1.00 0.00 C ATOM 651 CG1 ILE A 39 -7.024 8.166 -6.249 1.00 0.00 C ATOM 652 CG2 ILE A 39 -6.965 5.918 -7.362 1.00 0.00 C ATOM 653 CD1 ILE A 39 -5.959 8.871 -7.059 1.00 0.00 C ATOM 654 H ILE A 39 -6.499 7.206 -3.564 1.00 0.00 H ATOM 655 HA ILE A 39 -8.707 6.414 -5.187 1.00 0.00 H ATOM 656 HB ILE A 39 -5.725 6.568 -5.744 1.00 0.00 H ATOM 657 1HG1 ILE A 39 -7.982 8.308 -6.748 1.00 0.00 H ATOM 658 2HG1 ILE A 39 -7.088 8.654 -5.276 1.00 0.00 H ATOM 659 1HG2 ILE A 39 -6.306 6.332 -8.125 1.00 0.00 H ATOM 660 2HG2 ILE A 39 -6.732 4.865 -7.214 1.00 0.00 H ATOM 661 3HG2 ILE A 39 -8.001 6.019 -7.684 1.00 0.00 H ATOM 662 1HD1 ILE A 39 -6.213 9.927 -7.153 1.00 0.00 H ATOM 663 2HD1 ILE A 39 -4.996 8.772 -6.559 1.00 0.00 H ATOM 664 3HD1 ILE A 39 -5.902 8.423 -8.051 1.00 0.00 H ATOM 665 N LEU A 40 -6.539 4.031 -4.446 1.00 0.00 N ATOM 666 CA LEU A 40 -6.306 2.592 -4.495 1.00 0.00 C ATOM 667 C LEU A 40 -7.338 1.838 -3.666 1.00 0.00 C ATOM 668 O LEU A 40 -7.765 0.744 -4.034 1.00 0.00 O ATOM 669 CB LEU A 40 -4.896 2.266 -3.988 1.00 0.00 C ATOM 670 CG LEU A 40 -3.742 2.743 -4.878 1.00 0.00 C ATOM 671 CD1 LEU A 40 -2.435 2.666 -4.100 1.00 0.00 C ATOM 672 CD2 LEU A 40 -3.682 1.886 -6.134 1.00 0.00 C ATOM 673 H LEU A 40 -5.860 4.624 -3.994 1.00 0.00 H ATOM 674 HA LEU A 40 -6.384 2.264 -5.532 1.00 0.00 H ATOM 675 1HB LEU A 40 -4.767 2.720 -3.006 1.00 0.00 H ATOM 676 2HB LEU A 40 -4.807 1.185 -3.880 1.00 0.00 H ATOM 677 HG LEU A 40 -3.903 3.785 -5.157 1.00 0.00 H ATOM 678 1HD1 LEU A 40 -1.615 3.006 -4.733 1.00 0.00 H ATOM 679 2HD1 LEU A 40 -2.499 3.303 -3.218 1.00 0.00 H ATOM 680 3HD1 LEU A 40 -2.254 1.637 -3.793 1.00 0.00 H ATOM 681 1HD2 LEU A 40 -2.861 2.226 -6.767 1.00 0.00 H ATOM 682 2HD2 LEU A 40 -3.519 0.845 -5.857 1.00 0.00 H ATOM 683 3HD2 LEU A 40 -4.621 1.974 -6.679 1.00 0.00 H ATOM 684 N GLU A 41 -7.738 2.431 -2.546 1.00 0.00 N ATOM 685 CA GLU A 41 -8.726 1.818 -1.666 1.00 0.00 C ATOM 686 C GLU A 41 -10.103 1.797 -2.314 1.00 0.00 C ATOM 687 O GLU A 41 -10.858 0.836 -2.160 1.00 0.00 O ATOM 688 CB GLU A 41 -8.790 2.568 -0.333 1.00 0.00 C ATOM 689 CG GLU A 41 -7.587 2.346 0.572 1.00 0.00 C ATOM 690 CD GLU A 41 -7.650 3.154 1.838 1.00 0.00 C ATOM 691 OE1 GLU A 41 -8.547 3.953 1.966 1.00 0.00 O ATOM 692 OE2 GLU A 41 -6.800 2.973 2.678 1.00 0.00 O ATOM 693 H GLU A 41 -7.347 3.328 -2.297 1.00 0.00 H ATOM 694 HA GLU A 41 -8.419 0.791 -1.463 1.00 0.00 H ATOM 695 1HB GLU A 41 -8.874 3.638 -0.522 1.00 0.00 H ATOM 696 2HB GLU A 41 -9.681 2.261 0.214 1.00 0.00 H ATOM 697 1HG GLU A 41 -7.530 1.289 0.832 1.00 0.00 H ATOM 698 2HG GLU A 41 -6.681 2.607 0.025 1.00 0.00 H ATOM 699 N LYS A 42 -10.426 2.861 -3.040 1.00 0.00 N ATOM 700 CA LYS A 42 -11.751 3.012 -3.633 1.00 0.00 C ATOM 701 C LYS A 42 -11.829 2.322 -4.990 1.00 0.00 C ATOM 702 O LYS A 42 -12.879 1.811 -5.377 1.00 0.00 O ATOM 703 CB LYS A 42 -12.109 4.492 -3.774 1.00 0.00 C ATOM 704 CG LYS A 42 -12.365 5.206 -2.453 1.00 0.00 C ATOM 705 CD LYS A 42 -12.725 6.667 -2.675 1.00 0.00 C ATOM 706 CE LYS A 42 -12.998 7.377 -1.357 1.00 0.00 C ATOM 707 NZ LYS A 42 -13.353 8.808 -1.559 1.00 0.00 N ATOM 708 H LYS A 42 -9.738 3.585 -3.187 1.00 0.00 H ATOM 709 HA LYS A 42 -12.482 2.555 -2.966 1.00 0.00 H ATOM 710 1HB LYS A 42 -11.301 5.015 -4.285 1.00 0.00 H ATOM 711 2HB LYS A 42 -13.005 4.593 -4.387 1.00 0.00 H ATOM 712 1HG LYS A 42 -13.184 4.714 -1.927 1.00 0.00 H ATOM 713 2HG LYS A 42 -11.473 5.151 -1.831 1.00 0.00 H ATOM 714 1HD LYS A 42 -11.904 7.171 -3.186 1.00 0.00 H ATOM 715 2HD LYS A 42 -13.614 6.732 -3.302 1.00 0.00 H ATOM 716 1HE LYS A 42 -13.819 6.882 -0.841 1.00 0.00 H ATOM 717 2HE LYS A 42 -12.113 7.322 -0.724 1.00 0.00 H ATOM 718 1HZ LYS A 42 -13.525 9.243 -0.664 1.00 0.00 H ATOM 719 2HZ LYS A 42 -12.590 9.283 -2.022 1.00 0.00 H ATOM 720 3HZ LYS A 42 -14.184 8.872 -2.130 1.00 0.00 H ATOM 721 N ARG A 43 -10.711 2.312 -5.708 1.00 0.00 N ATOM 722 CA ARG A 43 -10.678 1.789 -7.068 1.00 0.00 C ATOM 723 C ARG A 43 -10.688 0.266 -7.075 1.00 0.00 C ATOM 724 O ARG A 43 -10.187 -0.370 -6.148 1.00 0.00 O ATOM 725 OXT ARG A 43 -11.188 -0.327 -7.990 1.00 0.00 O ATOM 726 CB ARG A 43 -9.444 2.288 -7.804 1.00 0.00 C ATOM 727 CG ARG A 43 -9.419 1.983 -9.293 1.00 0.00 C ATOM 728 CD ARG A 43 -8.282 2.655 -9.973 1.00 0.00 C ATOM 729 NE ARG A 43 -7.006 2.059 -9.612 1.00 0.00 N ATOM 730 CZ ARG A 43 -5.805 2.625 -9.841 1.00 0.00 C ATOM 731 NH1 ARG A 43 -5.733 3.799 -10.429 1.00 0.00 N ATOM 732 NH2 ARG A 43 -4.699 2.001 -9.473 1.00 0.00 N ATOM 733 H ARG A 43 -9.861 2.675 -5.300 1.00 0.00 H ATOM 734 HA ARG A 43 -11.563 2.147 -7.596 1.00 0.00 H ATOM 735 1HB ARG A 43 -9.363 3.368 -7.688 1.00 0.00 H ATOM 736 2HB ARG A 43 -8.552 1.844 -7.362 1.00 0.00 H ATOM 737 1HG ARG A 43 -9.321 0.908 -9.443 1.00 0.00 H ATOM 738 2HG ARG A 43 -10.346 2.330 -9.751 1.00 0.00 H ATOM 739 1HD ARG A 43 -8.404 2.572 -11.053 1.00 0.00 H ATOM 740 2HD ARG A 43 -8.259 3.706 -9.691 1.00 0.00 H ATOM 741 HE ARG A 43 -7.021 1.155 -9.158 1.00 0.00 H ATOM 742 1HH1 ARG A 43 -6.578 4.276 -10.709 1.00 0.00 H ATOM 743 2HH1 ARG A 43 -4.833 4.223 -10.600 1.00 0.00 H ATOM 744 1HH2 ARG A 43 -4.755 1.099 -9.021 1.00 0.00 H ATOM 745 2HH2 ARG A 43 -3.800 2.425 -9.645 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE start02_0087_0001.pdb label fa_atr fa_rep fa_sol fa_intra_atr_xover4 fa_intra_rep_xover4 fa_intra_sol_xover4 lk_ball lk_ball_iso lk_ball_bridge lk_ball_bridge_uncpl fa_elec fa_intra_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun_dev fa_dun_rot fa_dun_semi p_aa_pp hxl_tors ref rama_prepro gen_bonded total weights 1 0.55 1 1 0.55 1 0.92 -0.38 -0.33 -0.33 1 1 1.25 1 1 1 1 1.25 0.48 0.69 0.76 0.78 0.61 1 1 0.5 1 NA pose -235.781 28.8386 159.059 -16.9184 9.64708 11.0557 82.5987 -94.1334 -0.47282 -3.3652 -56.9753 -11.8929 0 -27.4137 -3.18707 -0.87924 -0.76262 0 0.10357 3.98584 28.9322 38.2146 -15.3607 5.20272 -21.0964 -4.5009 0 -125.102 SER:NtermProteinFull_1 -2.69924 0.17168 3.20549 -0.03502 0.01185 0.02972 1.3742 -1.36695 -0.01747 -0.15905 -1.2603 -1.01023 0 0 0 0 0 0 0.10861 0.01918 0.27548 0 0 0.60041 -0.77834 0 0 -1.52997 GLU_2 -4.74628 0.35087 4.89035 -0.21734 0.02947 0.30556 2.14449 -2.22028 -0 -0 -2.20457 -0.60749 0 0 0 0 -0.38131 0 -0.05859 0.00091 0 3.04059 -0.32821 0 -2.7348 -0.24507 0 -2.98169 GLU_3 -3.72191 0.25626 4.87115 -0.45913 0.20605 1.42883 1.51222 -2.14741 -0.04795 -0.31894 -1.01903 -2.8266 0 0 0 0 0 0 -0.01401 0.00411 0 4.00791 -0.26104 0 -2.7348 -0.44749 0 -1.71178 GLU_4 -4.26635 0.21968 5.08454 -0.21603 0.02873 0.30074 1.80139 -2.22131 -0.06533 -0.479 -1.29178 -0.58901 0 0 0 0 0 0 0.15699 0.0095 0 3.03965 -0.32853 0 -2.7348 -0.4456 0 -1.99651 LEU_5 -8.68767 1.23347 3.62205 -0.5094 0.57295 0.12115 2.84715 -2.79806 -0 -0 -1.74715 0.26607 0 0 0 0 0 0 0.04505 0.0206 0.32271 0 -0.29002 0 0.18072 -0.27685 0 -5.07724 GLU_6 -6.65525 0.7579 6.21724 -0.21348 0.02439 0.28623 2.8476 -3.08098 -0.04844 -0.27978 -2.46675 -0.58567 0 0 0 0 0 0 -0.0406 0.1034 0 3.0474 -0.1836 0 -2.7348 -0.1628 0 -3.16799 GLU_7 -4.49564 0.22945 5.65671 -0.21341 0.02498 0.28971 2.28485 -2.51755 -0.01914 -0.16439 -1.00408 -0.5854 0 0 0 0 0 0 0.1614 0.05668 0 3.03953 -0.16365 0 -2.7348 -0.22864 0 -0.38338 PHE_8 -6.5281 0.96428 3.24294 -0.90017 0.13482 0.29993 2.3126 -2.38664 -0.01053 -0.12297 -1.64141 -0.01204 0 0 0 0 0 0 0.14926 0.05195 0 2.01606 -0.48072 0 1.0402 0.316 0 -1.55454 ALA_9 -6.96424 1.23981 2.91551 -0.02181 0 0 2.72221 -2.7769 -0 -0 -2.10117 -0.35886 0 0 0 0 0 0 -0.04637 0 0 0 -0.26344 0 1.8394 0.35072 0 -3.46513 LYS_10 -7.12113 0.78481 6.87137 -0.30311 0.02736 0.13073 2.54036 -3.08034 -0.02921 -0.11641 -2.56928 0.01227 0 0 0 0 0 0 0.02468 0.22969 1.86565 0 0.07867 0 -1.5107 0.17935 0 -1.98525 GLU_11 -3.90162 0.19734 4.82194 -0.21583 0.02703 0.29857 1.85392 -2.15162 -0.0087 -0.10751 -1.03209 -0.59055 0 0 0 0 0 0 -0.0493 0.02259 0 3.00044 -0.28785 0 -2.7348 0.02782 0 -0.83022 VAL_12 -7.39079 1.10409 4.04036 -0.30443 0.2377 0.06846 2.89455 -2.74967 -0 -0 -2.12016 -0.12249 0 0 0 0 0 0 0.13986 0.00335 0.18064 0 -0.41098 0 1.9342 -0.10442 0 -2.59973 LEU_13 -8.13599 1.16929 4.12628 -0.50584 0.46804 0.12416 2.85142 -3.15803 -0.00183 -0.01546 -2.19314 0.23084 0 0 0 0 0 0 -0.05448 0.11939 0.31235 0 -0.31767 0 0.18072 0.01623 0 -4.78372 ARG_14 -3.90326 0.44675 4.34853 -0.45552 0.05739 0.24563 1.52488 -1.8513 -0 -0 -1.08918 0.26576 0 0 0 0 0 0 -0.06433 0.27704 2.10319 0 -0.07827 0 -1.2888 -0.08752 0 0.45099 ARG_15 -4.23633 0.61647 3.70786 -0.65659 0.11826 0.44252 1.5828 -1.78415 -0.006 -0.02027 -0.82771 0.1841 0 0 0 0 0 0 -0.05808 0.11474 1.97694 0 -0.07958 0 -1.2888 -0.226 0 -0.43982 GLY_16 -1.57645 0.10606 2.09876 -5e-05 0 0 0.78762 -1.01411 -0.00984 -0.03648 -0.8695 -0.4024 0 0 0 0 0 0 -0.1489 0 0 0 -1.38351 0 0.83697 -0.59226 0 -2.20409 ILE_17 -5.47668 0.76881 3.14993 -0.4826 0.5177 0.10171 1.66046 -1.99522 -0.00743 -0.03928 -0.31868 0.13928 0 0 0 0 0 0 0.1306 0.10897 0.51044 0 -0.73658 0 0.73287 -0.66775 0 -1.90345 THR_18 -3.3693 0.21025 0.73184 -0.16874 0.11455 0.05823 0.14556 -1.00529 -0.01109 -0.03988 -0.47041 0.0589 0 0 0 0 0 0 0.01929 0.01602 0.11972 0 0.00108 2.29562 -1.0874 -0.3463 0 -2.72736 ILE_19 -8.18766 1.4835 1.36416 -0.48479 0.48915 0.10404 2.244 -2.10392 -0.01107 -0.03594 -1.90024 0.18605 0 0 0 0 0 0 -0.05561 0.18122 0.51727 0 -0.65275 0 0.73287 -0.35119 0 -6.4809 ILE_20 -4.86348 0.63292 1.07781 -0.65632 0.97953 0.1303 0.60383 -1.49815 -0.00125 -0.0034 -0.01147 0.34187 0 0 0 0 0 0 0.00757 0.124 1.02659 0 -0.75327 0 0.73287 -0.58902 0 -2.71907 VAL_21 -6.65438 1.5564 2.25999 -0.288 0.2338 0.07291 2.09853 -2.17866 -0.01107 -0.03594 -1.27165 -0.61031 0 0 0 0 0 0 0.09474 0 0.19319 0 -0.25554 0 1.9342 0.0799 0 -2.78189 ASN_22 -2.39883 0.23919 1.70763 -0.19289 0.02515 0.33494 0.5365 -1.01151 -0 -0 0.38965 -1.02097 0 0 0 0 0 0 -0.00017 0.14059 0 1.94753 -1.0135 0 -0.93687 0.07716 0 -1.1764 GLY_23 -2.17568 0.18847 2.34044 -7e-05 0 0 0.81397 -1.20791 -0 -0 -0.55495 -0.40173 0 0 0 -0.43962 0 0 -0.16027 0 0 0 -1.5103 0 0.83697 -0.71283 0 -2.9835 ILE_24 -6.56229 1.04828 3.98877 -0.48871 0.52214 0.10074 2.92177 -2.53613 -0 -0 -1.98929 0.34726 0 0 0 0 0 0 -0.05521 0.24182 0.42337 0 -0.49655 0 0.73287 -0.73156 0 -2.53272 ARG_25 -4.35818 0.2786 1.94661 -0.7312 0.19742 0.52194 0.83427 -1.43333 -0.0067 -0.05303 -0.76553 0.14553 0 0 0 -0.43962 0 0 -0.06587 0.35352 2.81898 0 0.20311 0 -1.2888 -0.19612 0 -2.03841 ILE_26 -9.52016 1.72664 2.05458 -0.5505 0.33013 0.15511 2.58962 -2.57285 -0.00143 -0.01901 -1.98565 0.09875 0 0 0 0 0 0 -0.04158 0.55444 2.88588 0 -0.7264 0 0.73287 -0.21636 0 -4.50592 THR_27 -3.05307 0.2927 1.27165 -0.12368 0.05834 0.07667 0.23146 -1.02388 -0.0067 -0.05303 -0.00071 -0.89675 0 0 0 0 0 0 -0.04266 0.00929 0.11371 0 -0.58684 2.30669 -1.0874 -0.37457 0 -2.88879 GLU_28 -5.42845 0.68111 4.3327 -0.20083 0.04256 0.30114 1.96621 -2.26759 -0.01596 -0.104 -0.93364 -0.57597 0 0 0 0 0 0 0.09231 0.09199 0 3.10034 -0.03417 0 -2.7348 -0.11448 0 -1.80155 VAL_29 -6.49437 0.85365 2.51346 -0.30987 0.2628 0.07076 1.55553 -2.13961 -0 -0 -0.97406 -0.14304 0 0 0 0 0 0 -0.05793 0.01411 0.25205 0 -0.32321 0 1.9342 -0.03421 0 -3.01974 GLU_30 -3.33878 0.07607 4.03263 -0.4647 0.24015 1.45201 1.1448 -1.82194 -0.04323 -0.25484 -1.168 -2.9012 0 0 0 0 0 0 0.02759 0.02467 0 3.99689 -0.32537 0 -2.7348 -0.2014 0 -2.25944 ILE_31 -6.61381 1.07079 4.57427 -0.51411 0.71821 0.09906 2.23896 -2.56354 -0.03 -0.17224 -1.28138 0.12992 0 0 0 0 0 0 -0.06505 0.03641 0.55693 0 -0.48808 0 0.73287 -0.03539 0 -1.60618 PHE_32 -11.0002 2.31242 2.75449 -0.87668 0.03951 0.31034 2.90233 -2.95414 -0 -0 -2.21003 0.01658 0 0 0 0 0 0 -0.02087 0.12522 0 1.89602 -0.44983 0 1.0402 0.62 0 -5.49468 VAL_33 -7.52247 0.99302 4.34186 -0.30749 0.25167 0.06926 2.63998 -2.87349 -0 -0 -2.2529 -0.01307 0 0 0 0 0 0 -0.02367 0.01703 0.03957 0 -0.29368 0 1.9342 0.66232 0 -2.33786 LYS_34 -4.81584 0.13702 5.41751 -0.42215 0.06633 0.22852 2.07658 -2.49961 -0.01495 -0.1648 -1.07551 -0.1009 0 0 0 0 0 0 -0.01804 0.00161 1.98039 0 0.04497 0 -1.5107 0.30411 0 -0.36547 VAL_35 -7.18689 0.71611 2.71707 -0.30741 0.25636 0.06892 2.48348 -2.42644 -0.00557 -0.08017 -1.78339 -0.01779 0 0 0 0 0 0 0.01982 0.02212 0.03411 0 -0.36181 0 1.9342 0.30642 0 -3.61086 LEU_36 -8.70957 1.2755 3.24948 -0.77006 0.96467 0.2127 2.8141 -2.70655 -0.00273 -0.0214 -2.56502 0.37471 0 0 0 0 0 0 -0.02059 0.17017 2.70078 0 -0.29427 0 0.18072 0.14877 0 -2.9986 ARG_37 -6.82552 0.52787 7.7604 -0.81022 0.19588 0.54569 2.97782 -3.40763 -0.01495 -0.1648 -3.22015 0.43627 0 0 0 0 -0.38131 0 0.02707 0.1577 2.46608 0 -0.06129 0 -1.2888 0.16591 0 -0.91398 GLU_38 -4.64716 0.1601 5.84977 -0.21397 0.02586 0.29097 2.17674 -2.51254 -0.0149 -0.19166 -1.52361 -0.58081 0 0 0 0 0 0 0.01487 0.04777 0 3.02551 -0.24458 0 -2.7348 0.05936 0 -1.01307 ILE_39 -7.07162 0.73221 4.65858 -0.51303 0.60502 0.10055 2.96201 -2.83102 -0 -0 -1.81613 0.11773 0 0 0 0 0 0 0.07415 0.05606 0.52514 0 -0.44699 0 0.73287 0.03995 0 -2.07451 LEU_40 -5.3144 0.4361 3.94528 -0.49695 0.3596 0.11994 1.87415 -2.2648 -0 -0 -0.60648 0.22207 0 0 0 0 0 0 -0.00278 0.29765 0.3032 0 -0.30882 0 0.18072 0.15786 0 -1.09764 GLU_41 -3.45328 0.22992 4.53561 -0.2148 0.02704 0.30184 1.39232 -1.92116 -0.00933 -0.11149 -0.32938 -0.59625 0 0 0 0 0 0 -0.0101 0.09218 0 3.0567 -0.30456 0 -2.7348 -0.29774 0 -0.34726 LYS_42 -2.69333 0.0975 3.42062 -0.30336 0.02872 0.14229 1.32959 -1.45748 -0 -0 -0.76489 -0.11086 0 0 0 0 0 0 -0.01523 0.01667 1.99456 0 -0.1631 0 -1.5107 -0.27628 0 -0.26527 ARG:CtermProteinFull_43 -3.01557 0.26523 3.34042 -0.79812 0.12578 0.71314 1.50182 -1.61371 -0 -0 -0.15454 0.19354 0 0 0 0 0 0 0 0.05145 2.43333 0 0 0 -1.2888 -0.05094 0 1.70302 #END_POSE_ENERGIES_TABLE start02_0087_0001.pdb score_per_res -2.37664 total_score -102.196
HEEH_KT_rd6_1485.pdb
ATOM 1 N THR A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA THR A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C THR A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O THR A 1 1.825 2.168 -0.960 1.00 0.00 O ATOM 5 CB THR A 1 2.012 -0.770 -1.213 1.00 0.00 C ATOM 6 OG1 THR A 1 1.560 -2.129 -1.167 1.00 0.00 O ATOM 7 CG2 THR A 1 3.533 -0.745 -1.211 1.00 0.00 C ATOM 8 1H THR A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 9 2H THR A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 10 3H THR A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 11 HA THR A 1 1.804 -0.509 0.900 1.00 0.00 H ATOM 12 HB THR A 1 1.648 -0.311 -2.132 1.00 0.00 H ATOM 13 HG1 THR A 1 1.696 -2.540 -2.024 1.00 0.00 H ATOM 14 1HG2 THR A 1 3.907 -1.293 -2.075 1.00 0.00 H ATOM 15 2HG2 THR A 1 3.880 0.287 -1.258 1.00 0.00 H ATOM 16 3HG2 THR A 1 3.903 -1.211 -0.299 1.00 0.00 H ATOM 17 N GLU A 2 2.686 1.788 1.083 1.00 0.00 N ATOM 18 CA GLU A 2 3.176 3.149 1.255 1.00 0.00 C ATOM 19 C GLU A 2 4.196 3.507 0.181 1.00 0.00 C ATOM 20 O GLU A 2 4.259 4.650 -0.273 1.00 0.00 O ATOM 21 CB GLU A 2 3.800 3.321 2.642 1.00 0.00 C ATOM 22 CG GLU A 2 2.810 3.215 3.793 1.00 0.00 C ATOM 23 CD GLU A 2 2.468 1.793 4.142 1.00 0.00 C ATOM 24 OE1 GLU A 2 3.002 0.904 3.522 1.00 0.00 O ATOM 25 OE2 GLU A 2 1.672 1.595 5.029 1.00 0.00 O ATOM 26 H GLU A 2 2.864 1.104 1.806 1.00 0.00 H ATOM 27 HA GLU A 2 2.331 3.834 1.177 1.00 0.00 H ATOM 28 1HB GLU A 2 4.569 2.563 2.791 1.00 0.00 H ATOM 29 2HB GLU A 2 4.283 4.295 2.705 1.00 0.00 H ATOM 30 1HG GLU A 2 3.237 3.699 4.671 1.00 0.00 H ATOM 31 2HG GLU A 2 1.899 3.748 3.526 1.00 0.00 H ATOM 32 N GLU A 3 4.993 2.523 -0.222 1.00 0.00 N ATOM 33 CA GLU A 3 6.040 2.742 -1.213 1.00 0.00 C ATOM 34 C GLU A 3 5.452 3.179 -2.548 1.00 0.00 C ATOM 35 O GLU A 3 5.998 4.054 -3.222 1.00 0.00 O ATOM 36 CB GLU A 3 6.870 1.471 -1.403 1.00 0.00 C ATOM 37 CG GLU A 3 7.734 1.100 -0.206 1.00 0.00 C ATOM 38 CD GLU A 3 8.466 -0.200 -0.394 1.00 0.00 C ATOM 39 OE1 GLU A 3 8.194 -0.880 -1.354 1.00 0.00 O ATOM 40 OE2 GLU A 3 9.298 -0.514 0.424 1.00 0.00 O ATOM 41 H GLU A 3 4.870 1.599 0.167 1.00 0.00 H ATOM 42 HA GLU A 3 6.702 3.529 -0.848 1.00 0.00 H ATOM 43 1HB GLU A 3 6.207 0.631 -1.610 1.00 0.00 H ATOM 44 2HB GLU A 3 7.526 1.590 -2.265 1.00 0.00 H ATOM 45 1HG GLU A 3 8.463 1.892 -0.038 1.00 0.00 H ATOM 46 2HG GLU A 3 7.102 1.031 0.678 1.00 0.00 H ATOM 47 N GLU A 4 4.335 2.566 -2.926 1.00 0.00 N ATOM 48 CA GLU A 4 3.659 2.907 -4.172 1.00 0.00 C ATOM 49 C GLU A 4 2.977 4.265 -4.075 1.00 0.00 C ATOM 50 O GLU A 4 2.970 5.036 -5.034 1.00 0.00 O ATOM 51 CB GLU A 4 2.628 1.834 -4.531 1.00 0.00 C ATOM 52 CG GLU A 4 3.230 0.495 -4.937 1.00 0.00 C ATOM 53 CD GLU A 4 2.190 -0.557 -5.201 1.00 0.00 C ATOM 54 OE1 GLU A 4 1.085 -0.404 -4.737 1.00 0.00 O ATOM 55 OE2 GLU A 4 2.500 -1.517 -5.867 1.00 0.00 O ATOM 56 H GLU A 4 3.946 1.845 -2.336 1.00 0.00 H ATOM 57 HA GLU A 4 4.402 2.945 -4.970 1.00 0.00 H ATOM 58 1HB GLU A 4 1.971 1.660 -3.678 1.00 0.00 H ATOM 59 2HB GLU A 4 2.008 2.185 -5.356 1.00 0.00 H ATOM 60 1HG GLU A 4 3.826 0.635 -5.838 1.00 0.00 H ATOM 61 2HG GLU A 4 3.894 0.153 -4.145 1.00 0.00 H ATOM 62 N ILE A 5 2.405 4.553 -2.911 1.00 0.00 N ATOM 63 CA ILE A 5 1.754 5.835 -2.672 1.00 0.00 C ATOM 64 C ILE A 5 2.754 6.983 -2.749 1.00 0.00 C ATOM 65 O ILE A 5 2.498 7.999 -3.395 1.00 0.00 O ATOM 66 CB ILE A 5 1.058 5.851 -1.299 1.00 0.00 C ATOM 67 CG1 ILE A 5 -0.151 4.912 -1.303 1.00 0.00 C ATOM 68 CG2 ILE A 5 0.636 7.265 -0.932 1.00 0.00 C ATOM 69 CD1 ILE A 5 -0.684 4.598 0.077 1.00 0.00 C ATOM 70 H ILE A 5 2.422 3.865 -2.172 1.00 0.00 H ATOM 71 HA ILE A 5 0.992 5.984 -3.439 1.00 0.00 H ATOM 72 HB ILE A 5 1.744 5.478 -0.539 1.00 0.00 H ATOM 73 1HG1 ILE A 5 -0.956 5.357 -1.886 1.00 0.00 H ATOM 74 2HG1 ILE A 5 0.120 3.972 -1.785 1.00 0.00 H ATOM 75 1HG2 ILE A 5 0.146 7.258 0.041 1.00 0.00 H ATOM 76 2HG2 ILE A 5 1.515 7.907 -0.890 1.00 0.00 H ATOM 77 3HG2 ILE A 5 -0.055 7.646 -1.685 1.00 0.00 H ATOM 78 1HD1 ILE A 5 -1.540 3.927 -0.008 1.00 0.00 H ATOM 79 2HD1 ILE A 5 0.096 4.118 0.668 1.00 0.00 H ATOM 80 3HD1 ILE A 5 -0.995 5.520 0.565 1.00 0.00 H ATOM 81 N ARG A 6 3.892 6.814 -2.086 1.00 0.00 N ATOM 82 CA ARG A 6 4.920 7.849 -2.052 1.00 0.00 C ATOM 83 C ARG A 6 5.470 8.124 -3.444 1.00 0.00 C ATOM 84 O ARG A 6 5.744 9.271 -3.798 1.00 0.00 O ATOM 85 CB ARG A 6 6.061 7.440 -1.131 1.00 0.00 C ATOM 86 CG ARG A 6 5.710 7.412 0.348 1.00 0.00 C ATOM 87 CD ARG A 6 6.816 6.849 1.164 1.00 0.00 C ATOM 88 NE ARG A 6 6.458 6.753 2.570 1.00 0.00 N ATOM 89 CZ ARG A 6 7.239 6.207 3.523 1.00 0.00 C ATOM 90 NH1 ARG A 6 8.416 5.715 3.205 1.00 0.00 N ATOM 91 NH2 ARG A 6 6.822 6.167 4.776 1.00 0.00 N ATOM 92 H ARG A 6 4.050 5.947 -1.593 1.00 0.00 H ATOM 93 HA ARG A 6 4.474 8.765 -1.663 1.00 0.00 H ATOM 94 1HB ARG A 6 6.411 6.447 -1.406 1.00 0.00 H ATOM 95 2HB ARG A 6 6.896 8.129 -1.259 1.00 0.00 H ATOM 96 1HG ARG A 6 5.511 8.427 0.694 1.00 0.00 H ATOM 97 2HG ARG A 6 4.823 6.796 0.500 1.00 0.00 H ATOM 98 1HD ARG A 6 7.060 5.850 0.805 1.00 0.00 H ATOM 99 2HD ARG A 6 7.693 7.490 1.079 1.00 0.00 H ATOM 100 HE ARG A 6 5.560 7.121 2.853 1.00 0.00 H ATOM 101 1HH1 ARG A 6 8.735 5.745 2.247 1.00 0.00 H ATOM 102 2HH1 ARG A 6 9.001 5.306 3.919 1.00 0.00 H ATOM 103 1HH2 ARG A 6 5.917 6.546 5.020 1.00 0.00 H ATOM 104 2HH2 ARG A 6 7.407 5.759 5.490 1.00 0.00 H ATOM 105 N THR A 7 5.629 7.066 -4.232 1.00 0.00 N ATOM 106 CA THR A 7 6.152 7.192 -5.589 1.00 0.00 C ATOM 107 C THR A 7 5.207 8.000 -6.469 1.00 0.00 C ATOM 108 O THR A 7 5.631 8.918 -7.172 1.00 0.00 O ATOM 109 CB THR A 7 6.392 5.810 -6.222 1.00 0.00 C ATOM 110 OG1 THR A 7 7.364 5.091 -5.452 1.00 0.00 O ATOM 111 CG2 THR A 7 6.891 5.957 -7.651 1.00 0.00 C ATOM 112 H THR A 7 5.383 6.151 -3.884 1.00 0.00 H ATOM 113 HA THR A 7 7.112 7.705 -5.543 1.00 0.00 H ATOM 114 HB THR A 7 5.461 5.244 -6.225 1.00 0.00 H ATOM 115 HG1 THR A 7 6.963 4.787 -4.634 1.00 0.00 H ATOM 116 1HG2 THR A 7 7.056 4.970 -8.083 1.00 0.00 H ATOM 117 2HG2 THR A 7 6.149 6.493 -8.242 1.00 0.00 H ATOM 118 3HG2 THR A 7 7.828 6.514 -7.654 1.00 0.00 H ATOM 119 N GLU A 8 3.926 7.654 -6.427 1.00 0.00 N ATOM 120 CA GLU A 8 2.928 8.307 -7.267 1.00 0.00 C ATOM 121 C GLU A 8 2.813 9.789 -6.937 1.00 0.00 C ATOM 122 O GLU A 8 2.714 10.629 -7.831 1.00 0.00 O ATOM 123 CB GLU A 8 1.566 7.630 -7.101 1.00 0.00 C ATOM 124 CG GLU A 8 1.466 6.251 -7.739 1.00 0.00 C ATOM 125 CD GLU A 8 0.140 5.587 -7.492 1.00 0.00 C ATOM 126 OE1 GLU A 8 -0.633 6.113 -6.728 1.00 0.00 O ATOM 127 OE2 GLU A 8 -0.099 4.552 -8.069 1.00 0.00 O ATOM 128 H GLU A 8 3.634 6.920 -5.798 1.00 0.00 H ATOM 129 HA GLU A 8 3.233 8.203 -8.309 1.00 0.00 H ATOM 130 1HB GLU A 8 1.339 7.525 -6.040 1.00 0.00 H ATOM 131 2HB GLU A 8 0.791 8.258 -7.540 1.00 0.00 H ATOM 132 1HG GLU A 8 1.617 6.348 -8.813 1.00 0.00 H ATOM 133 2HG GLU A 8 2.262 5.622 -7.343 1.00 0.00 H ATOM 134 N ILE A 9 2.826 10.104 -5.645 1.00 0.00 N ATOM 135 CA ILE A 9 2.696 11.485 -5.193 1.00 0.00 C ATOM 136 C ILE A 9 3.914 12.310 -5.586 1.00 0.00 C ATOM 137 O ILE A 9 3.784 13.443 -6.052 1.00 0.00 O ATOM 138 CB ILE A 9 2.505 11.546 -3.666 1.00 0.00 C ATOM 139 CG1 ILE A 9 1.158 10.934 -3.272 1.00 0.00 C ATOM 140 CG2 ILE A 9 2.605 12.982 -3.175 1.00 0.00 C ATOM 141 CD1 ILE A 9 0.996 10.722 -1.784 1.00 0.00 C ATOM 142 H ILE A 9 2.929 9.370 -4.961 1.00 0.00 H ATOM 143 HA ILE A 9 1.813 11.920 -5.661 1.00 0.00 H ATOM 144 HB ILE A 9 3.276 10.951 -3.179 1.00 0.00 H ATOM 145 1HG1 ILE A 9 0.351 11.581 -3.614 1.00 0.00 H ATOM 146 2HG1 ILE A 9 1.037 9.971 -3.768 1.00 0.00 H ATOM 147 1HG2 ILE A 9 2.466 13.008 -2.095 1.00 0.00 H ATOM 148 2HG2 ILE A 9 3.585 13.385 -3.425 1.00 0.00 H ATOM 149 3HG2 ILE A 9 1.833 13.585 -3.654 1.00 0.00 H ATOM 150 1HD1 ILE A 9 0.018 10.285 -1.583 1.00 0.00 H ATOM 151 2HD1 ILE A 9 1.775 10.048 -1.425 1.00 0.00 H ATOM 152 3HD1 ILE A 9 1.078 11.678 -1.269 1.00 0.00 H ATOM 153 N ALA A 10 5.098 11.737 -5.397 1.00 0.00 N ATOM 154 CA ALA A 10 6.342 12.423 -5.724 1.00 0.00 C ATOM 155 C ALA A 10 6.379 12.825 -7.193 1.00 0.00 C ATOM 156 O ALA A 10 6.816 13.924 -7.535 1.00 0.00 O ATOM 157 CB ALA A 10 7.536 11.543 -5.386 1.00 0.00 C ATOM 158 H ALA A 10 5.137 10.802 -5.017 1.00 0.00 H ATOM 159 HA ALA A 10 6.412 13.323 -5.114 1.00 0.00 H ATOM 160 1HB ALA A 10 8.458 12.069 -5.636 1.00 0.00 H ATOM 161 2HB ALA A 10 7.528 11.312 -4.321 1.00 0.00 H ATOM 162 3HB ALA A 10 7.480 10.618 -5.958 1.00 0.00 H ATOM 163 N ARG A 11 5.919 11.929 -8.059 1.00 0.00 N ATOM 164 CA ARG A 11 5.959 12.161 -9.498 1.00 0.00 C ATOM 165 C ARG A 11 4.990 13.265 -9.904 1.00 0.00 C ATOM 166 O ARG A 11 5.290 14.072 -10.785 1.00 0.00 O ATOM 167 CB ARG A 11 5.619 10.887 -10.256 1.00 0.00 C ATOM 168 CG ARG A 11 6.689 9.808 -10.206 1.00 0.00 C ATOM 169 CD ARG A 11 6.227 8.547 -10.841 1.00 0.00 C ATOM 170 NE ARG A 11 7.260 7.524 -10.829 1.00 0.00 N ATOM 171 CZ ARG A 11 7.076 6.245 -11.212 1.00 0.00 C ATOM 172 NH1 ARG A 11 5.895 5.850 -11.634 1.00 0.00 N ATOM 173 NH2 ARG A 11 8.081 5.389 -11.163 1.00 0.00 N ATOM 174 H ARG A 11 5.530 11.063 -7.711 1.00 0.00 H ATOM 175 HA ARG A 11 6.970 12.465 -9.771 1.00 0.00 H ATOM 176 1HB ARG A 11 4.701 10.460 -9.855 1.00 0.00 H ATOM 177 2HB ARG A 11 5.439 11.124 -11.305 1.00 0.00 H ATOM 178 1HG ARG A 11 7.578 10.152 -10.733 1.00 0.00 H ATOM 179 2HG ARG A 11 6.942 9.595 -9.166 1.00 0.00 H ATOM 180 1HD ARG A 11 5.361 8.164 -10.303 1.00 0.00 H ATOM 181 2HD ARG A 11 5.953 8.741 -11.878 1.00 0.00 H ATOM 182 HE ARG A 11 8.182 7.790 -10.510 1.00 0.00 H ATOM 183 1HH1 ARG A 11 5.127 6.504 -11.672 1.00 0.00 H ATOM 184 2HH1 ARG A 11 5.757 4.892 -11.921 1.00 0.00 H ATOM 185 1HH2 ARG A 11 8.989 5.693 -10.838 1.00 0.00 H ATOM 186 2HH2 ARG A 11 7.943 4.431 -11.450 1.00 0.00 H ATOM 187 N GLU A 12 3.830 13.295 -9.258 1.00 0.00 N ATOM 188 CA GLU A 12 2.793 14.264 -9.592 1.00 0.00 C ATOM 189 C GLU A 12 3.195 15.670 -9.169 1.00 0.00 C ATOM 190 O GLU A 12 2.955 16.639 -9.890 1.00 0.00 O ATOM 191 CB GLU A 12 1.469 13.879 -8.926 1.00 0.00 C ATOM 192 CG GLU A 12 0.790 12.661 -9.535 1.00 0.00 C ATOM 193 CD GLU A 12 -0.465 12.267 -8.807 1.00 0.00 C ATOM 194 OE1 GLU A 12 -0.730 12.828 -7.771 1.00 0.00 O ATOM 195 OE2 GLU A 12 -1.160 11.402 -9.287 1.00 0.00 O ATOM 196 H GLU A 12 3.662 12.630 -8.517 1.00 0.00 H ATOM 197 HA GLU A 12 2.644 14.253 -10.672 1.00 0.00 H ATOM 198 1HB GLU A 12 1.640 13.674 -7.869 1.00 0.00 H ATOM 199 2HB GLU A 12 0.774 14.716 -8.988 1.00 0.00 H ATOM 200 1HG GLU A 12 0.540 12.878 -10.573 1.00 0.00 H ATOM 201 2HG GLU A 12 1.488 11.826 -9.524 1.00 0.00 H ATOM 202 N VAL A 13 3.808 15.777 -7.994 1.00 0.00 N ATOM 203 CA VAL A 13 4.187 17.071 -7.443 1.00 0.00 C ATOM 204 C VAL A 13 5.471 17.587 -8.078 1.00 0.00 C ATOM 205 O VAL A 13 5.539 18.734 -8.521 1.00 0.00 O ATOM 206 CB VAL A 13 4.377 16.967 -5.918 1.00 0.00 C ATOM 207 CG1 VAL A 13 4.899 18.281 -5.355 1.00 0.00 C ATOM 208 CG2 VAL A 13 3.063 16.581 -5.257 1.00 0.00 C ATOM 209 H VAL A 13 4.017 14.938 -7.471 1.00 0.00 H ATOM 210 HA VAL A 13 3.385 17.782 -7.647 1.00 0.00 H ATOM 211 HB VAL A 13 5.129 16.206 -5.706 1.00 0.00 H ATOM 212 1HG1 VAL A 13 5.028 18.189 -4.277 1.00 0.00 H ATOM 213 2HG1 VAL A 13 5.857 18.519 -5.816 1.00 0.00 H ATOM 214 3HG1 VAL A 13 4.185 19.077 -5.568 1.00 0.00 H ATOM 215 1HG2 VAL A 13 3.206 16.508 -4.179 1.00 0.00 H ATOM 216 2HG2 VAL A 13 2.310 17.339 -5.473 1.00 0.00 H ATOM 217 3HG2 VAL A 13 2.730 15.618 -5.644 1.00 0.00 H ATOM 218 N ASN A 14 6.488 16.734 -8.121 1.00 0.00 N ATOM 219 CA ASN A 14 7.745 17.073 -8.778 1.00 0.00 C ATOM 220 C ASN A 14 8.283 18.409 -8.284 1.00 0.00 C ATOM 221 O ASN A 14 8.617 19.287 -9.081 1.00 0.00 O ATOM 222 CB ASN A 14 7.571 17.091 -10.285 1.00 0.00 C ATOM 223 CG ASN A 14 8.883 17.057 -11.019 1.00 0.00 C ATOM 224 OD1 ASN A 14 9.867 16.487 -10.531 1.00 0.00 O ATOM 225 ND2 ASN A 14 8.918 17.656 -12.182 1.00 0.00 N ATOM 226 H ASN A 14 6.389 15.828 -7.686 1.00 0.00 H ATOM 227 HA ASN A 14 8.485 16.313 -8.522 1.00 0.00 H ATOM 228 1HB ASN A 14 6.974 16.232 -10.594 1.00 0.00 H ATOM 229 2HB ASN A 14 7.028 17.990 -10.578 1.00 0.00 H ATOM 230 1HD2 ASN A 14 9.765 17.665 -12.715 1.00 0.00 H ATOM 231 2HD2 ASN A 14 8.099 18.104 -12.538 1.00 0.00 H ATOM 232 N SER A 15 8.363 18.559 -6.967 1.00 0.00 N ATOM 233 CA SER A 15 8.847 19.795 -6.365 1.00 0.00 C ATOM 234 C SER A 15 9.371 19.553 -4.955 1.00 0.00 C ATOM 235 O SER A 15 8.631 19.115 -4.074 1.00 0.00 O ATOM 236 CB SER A 15 7.738 20.829 -6.331 1.00 0.00 C ATOM 237 OG SER A 15 8.185 22.026 -5.754 1.00 0.00 O ATOM 238 H SER A 15 8.082 17.797 -6.367 1.00 0.00 H ATOM 239 HA SER A 15 9.662 20.184 -6.977 1.00 0.00 H ATOM 240 1HB SER A 15 7.388 21.020 -7.344 1.00 0.00 H ATOM 241 2HB SER A 15 6.896 20.440 -5.761 1.00 0.00 H ATOM 242 HG SER A 15 7.461 22.650 -5.846 1.00 0.00 H ATOM 243 N THR A 16 10.651 19.840 -4.747 1.00 0.00 N ATOM 244 CA THR A 16 11.318 19.505 -3.494 1.00 0.00 C ATOM 245 C THR A 16 10.698 20.256 -2.322 1.00 0.00 C ATOM 246 O THR A 16 10.536 21.475 -2.370 1.00 0.00 O ATOM 247 CB THR A 16 12.825 19.815 -3.567 1.00 0.00 C ATOM 248 OG1 THR A 16 13.409 19.100 -4.664 1.00 0.00 O ATOM 249 CG2 THR A 16 13.517 19.407 -2.276 1.00 0.00 C ATOM 250 H THR A 16 11.176 20.301 -5.476 1.00 0.00 H ATOM 251 HA THR A 16 11.210 18.434 -3.319 1.00 0.00 H ATOM 252 HB THR A 16 12.969 20.883 -3.729 1.00 0.00 H ATOM 253 HG1 THR A 16 14.301 19.423 -4.817 1.00 0.00 H ATOM 254 1HG2 THR A 16 14.581 19.634 -2.346 1.00 0.00 H ATOM 255 2HG2 THR A 16 13.083 19.958 -1.441 1.00 0.00 H ATOM 256 3HG2 THR A 16 13.384 18.339 -2.113 1.00 0.00 H ATOM 257 N ILE A 17 10.352 19.520 -1.272 1.00 0.00 N ATOM 258 CA ILE A 17 9.795 20.121 -0.066 1.00 0.00 C ATOM 259 C ILE A 17 10.575 19.697 1.172 1.00 0.00 C ATOM 260 O ILE A 17 10.948 18.533 1.315 1.00 0.00 O ATOM 261 CB ILE A 17 8.313 19.737 0.105 1.00 0.00 C ATOM 262 CG1 ILE A 17 7.489 20.254 -1.077 1.00 0.00 C ATOM 263 CG2 ILE A 17 7.770 20.284 1.416 1.00 0.00 C ATOM 264 CD1 ILE A 17 6.099 19.664 -1.157 1.00 0.00 C ATOM 265 H ILE A 17 10.479 18.518 -1.309 1.00 0.00 H ATOM 266 HA ILE A 17 9.853 21.205 -0.161 1.00 0.00 H ATOM 267 HB ILE A 17 8.216 18.652 0.106 1.00 0.00 H ATOM 268 1HG1 ILE A 17 7.397 21.337 -1.011 1.00 0.00 H ATOM 269 2HG1 ILE A 17 8.008 20.028 -2.009 1.00 0.00 H ATOM 270 1HG2 ILE A 17 6.722 20.004 1.520 1.00 0.00 H ATOM 271 2HG2 ILE A 17 8.340 19.869 2.246 1.00 0.00 H ATOM 272 3HG2 ILE A 17 7.858 21.370 1.422 1.00 0.00 H ATOM 273 1HD1 ILE A 17 5.577 20.078 -2.020 1.00 0.00 H ATOM 274 2HD1 ILE A 17 6.169 18.581 -1.260 1.00 0.00 H ATOM 275 3HD1 ILE A 17 5.549 19.908 -0.249 1.00 0.00 H ATOM 276 N LYS A 18 10.820 20.650 2.066 1.00 0.00 N ATOM 277 CA LYS A 18 11.525 20.369 3.311 1.00 0.00 C ATOM 278 C LYS A 18 10.603 20.525 4.513 1.00 0.00 C ATOM 279 O LYS A 18 9.966 21.564 4.689 1.00 0.00 O ATOM 280 CB LYS A 18 12.740 21.287 3.457 1.00 0.00 C ATOM 281 CG LYS A 18 12.399 22.765 3.595 1.00 0.00 C ATOM 282 CD LYS A 18 13.656 23.621 3.636 1.00 0.00 C ATOM 283 CE LYS A 18 13.319 25.091 3.839 1.00 0.00 C ATOM 284 NZ LYS A 18 14.539 25.942 3.870 1.00 0.00 N ATOM 285 H LYS A 18 10.510 21.592 1.878 1.00 0.00 H ATOM 286 HA LYS A 18 11.888 19.341 3.279 1.00 0.00 H ATOM 287 1HB LYS A 18 13.315 20.993 4.335 1.00 0.00 H ATOM 288 2HB LYS A 18 13.388 21.174 2.588 1.00 0.00 H ATOM 289 1HG LYS A 18 11.783 23.077 2.750 1.00 0.00 H ATOM 290 2HG LYS A 18 11.832 22.923 4.512 1.00 0.00 H ATOM 291 1HD LYS A 18 14.297 23.288 4.452 1.00 0.00 H ATOM 292 2HD LYS A 18 14.202 23.510 2.699 1.00 0.00 H ATOM 293 1HE LYS A 18 12.674 25.431 3.030 1.00 0.00 H ATOM 294 2HE LYS A 18 12.781 25.215 4.779 1.00 0.00 H ATOM 295 1HZ LYS A 18 14.273 26.907 4.006 1.00 0.00 H ATOM 296 2HZ LYS A 18 15.137 25.647 4.629 1.00 0.00 H ATOM 297 3HZ LYS A 18 15.036 25.851 2.996 1.00 0.00 H ATOM 298 N VAL A 19 10.535 19.487 5.339 1.00 0.00 N ATOM 299 CA VAL A 19 9.719 19.520 6.547 1.00 0.00 C ATOM 300 C VAL A 19 10.538 19.146 7.775 1.00 0.00 C ATOM 301 O VAL A 19 11.248 18.141 7.777 1.00 0.00 O ATOM 302 CB VAL A 19 8.528 18.553 6.413 1.00 0.00 C ATOM 303 CG1 VAL A 19 7.714 18.530 7.698 1.00 0.00 C ATOM 304 CG2 VAL A 19 7.660 18.960 5.232 1.00 0.00 C ATOM 305 H VAL A 19 11.063 18.652 5.125 1.00 0.00 H ATOM 306 HA VAL A 19 9.336 20.533 6.678 1.00 0.00 H ATOM 307 HB VAL A 19 8.908 17.543 6.256 1.00 0.00 H ATOM 308 1HG1 VAL A 19 6.876 17.841 7.586 1.00 0.00 H ATOM 309 2HG1 VAL A 19 8.345 18.202 8.523 1.00 0.00 H ATOM 310 3HG1 VAL A 19 7.334 19.531 7.906 1.00 0.00 H ATOM 311 1HG2 VAL A 19 6.821 18.271 5.143 1.00 0.00 H ATOM 312 2HG2 VAL A 19 7.286 19.972 5.387 1.00 0.00 H ATOM 313 3HG2 VAL A 19 8.253 18.929 4.317 1.00 0.00 H ATOM 314 N GLU A 20 10.435 19.961 8.820 1.00 0.00 N ATOM 315 CA GLU A 20 11.164 19.715 10.058 1.00 0.00 C ATOM 316 C GLU A 20 10.420 18.727 10.948 1.00 0.00 C ATOM 317 O GLU A 20 9.212 18.847 11.151 1.00 0.00 O ATOM 318 CB GLU A 20 11.390 21.027 10.814 1.00 0.00 C ATOM 319 CG GLU A 20 12.178 20.879 12.107 1.00 0.00 C ATOM 320 CD GLU A 20 12.456 22.197 12.776 1.00 0.00 C ATOM 321 OE1 GLU A 20 12.221 23.212 12.167 1.00 0.00 O ATOM 322 OE2 GLU A 20 12.905 22.187 13.898 1.00 0.00 O ATOM 323 H GLU A 20 9.836 20.772 8.754 1.00 0.00 H ATOM 324 HA GLU A 20 12.139 19.296 9.809 1.00 0.00 H ATOM 325 1HB GLU A 20 11.926 21.727 10.173 1.00 0.00 H ATOM 326 2HB GLU A 20 10.428 21.477 11.058 1.00 0.00 H ATOM 327 1HG GLU A 20 11.615 20.248 12.794 1.00 0.00 H ATOM 328 2HG GLU A 20 13.122 20.381 11.891 1.00 0.00 H ATOM 329 N SER A 21 11.149 17.750 11.477 1.00 0.00 N ATOM 330 CA SER A 21 10.581 16.796 12.421 1.00 0.00 C ATOM 331 C SER A 21 11.605 16.385 13.473 1.00 0.00 C ATOM 332 O SER A 21 12.646 15.813 13.148 1.00 0.00 O ATOM 333 CB SER A 21 10.080 15.569 11.685 1.00 0.00 C ATOM 334 OG SER A 21 9.560 14.624 12.579 1.00 0.00 O ATOM 335 H SER A 21 12.122 17.666 11.218 1.00 0.00 H ATOM 336 HA SER A 21 9.735 17.267 12.923 1.00 0.00 H ATOM 337 1HB SER A 21 9.308 15.862 10.973 1.00 0.00 H ATOM 338 2HB SER A 21 10.897 15.126 11.117 1.00 0.00 H ATOM 339 HG SER A 21 9.186 13.924 12.038 1.00 0.00 H ATOM 340 N ASN A 22 11.304 16.681 14.732 1.00 0.00 N ATOM 341 CA ASN A 22 12.205 16.357 15.831 1.00 0.00 C ATOM 342 C ASN A 22 13.545 17.064 15.672 1.00 0.00 C ATOM 343 O ASN A 22 14.571 16.589 16.157 1.00 0.00 O ATOM 344 CB ASN A 22 12.403 14.856 15.934 1.00 0.00 C ATOM 345 CG ASN A 22 11.117 14.120 16.190 1.00 0.00 C ATOM 346 OD1 ASN A 22 10.265 14.582 16.957 1.00 0.00 O ATOM 347 ND2 ASN A 22 10.960 12.983 15.561 1.00 0.00 N ATOM 348 H ASN A 22 10.429 17.142 14.933 1.00 0.00 H ATOM 349 HA ASN A 22 11.760 16.714 16.761 1.00 0.00 H ATOM 350 1HB ASN A 22 12.845 14.482 15.010 1.00 0.00 H ATOM 351 2HB ASN A 22 13.101 14.636 16.743 1.00 0.00 H ATOM 352 1HD2 ASN A 22 10.124 12.450 15.692 1.00 0.00 H ATOM 353 2HD2 ASN A 22 11.676 12.648 14.949 1.00 0.00 H ATOM 354 N GLY A 23 13.529 18.205 14.989 1.00 0.00 N ATOM 355 CA GLY A 23 14.708 19.057 14.892 1.00 0.00 C ATOM 356 C GLY A 23 15.496 18.763 13.621 1.00 0.00 C ATOM 357 O GLY A 23 16.404 19.510 13.258 1.00 0.00 O ATOM 358 H GLY A 23 12.677 18.488 14.526 1.00 0.00 H ATOM 359 1HA GLY A 23 14.403 20.102 14.902 1.00 0.00 H ATOM 360 2HA GLY A 23 15.344 18.898 15.763 1.00 0.00 H ATOM 361 N GLU A 24 15.143 17.673 12.950 1.00 0.00 N ATOM 362 CA GLU A 24 15.821 17.275 11.724 1.00 0.00 C ATOM 363 C GLU A 24 15.024 17.688 10.494 1.00 0.00 C ATOM 364 O GLU A 24 13.796 17.760 10.534 1.00 0.00 O ATOM 365 CB GLU A 24 16.052 15.762 11.709 1.00 0.00 C ATOM 366 CG GLU A 24 16.985 15.258 12.801 1.00 0.00 C ATOM 367 CD GLU A 24 17.251 13.781 12.708 1.00 0.00 C ATOM 368 OE1 GLU A 24 16.674 13.145 11.859 1.00 0.00 O ATOM 369 OE2 GLU A 24 18.032 13.288 13.487 1.00 0.00 O ATOM 370 H GLU A 24 14.384 17.105 13.299 1.00 0.00 H ATOM 371 HA GLU A 24 16.794 17.767 11.690 1.00 0.00 H ATOM 372 1HB GLU A 24 15.098 15.247 11.820 1.00 0.00 H ATOM 373 2HB GLU A 24 16.473 15.467 10.747 1.00 0.00 H ATOM 374 1HG GLU A 24 17.933 15.791 12.729 1.00 0.00 H ATOM 375 2HG GLU A 24 16.546 15.483 13.772 1.00 0.00 H ATOM 376 N ILE A 25 15.728 17.958 9.401 1.00 0.00 N ATOM 377 CA ILE A 25 15.085 18.323 8.144 1.00 0.00 C ATOM 378 C ILE A 25 15.103 17.161 7.158 1.00 0.00 C ATOM 379 O ILE A 25 16.166 16.659 6.795 1.00 0.00 O ATOM 380 CB ILE A 25 15.774 19.546 7.511 1.00 0.00 C ATOM 381 CG1 ILE A 25 15.879 20.686 8.528 1.00 0.00 C ATOM 382 CG2 ILE A 25 15.016 20.001 6.273 1.00 0.00 C ATOM 383 CD1 ILE A 25 14.546 21.132 9.085 1.00 0.00 C ATOM 384 H ILE A 25 16.737 17.910 9.441 1.00 0.00 H ATOM 385 HA ILE A 25 14.048 18.591 8.350 1.00 0.00 H ATOM 386 HB ILE A 25 16.792 19.283 7.226 1.00 0.00 H ATOM 387 1HG1 ILE A 25 16.510 20.374 9.359 1.00 0.00 H ATOM 388 2HG1 ILE A 25 16.357 21.547 8.061 1.00 0.00 H ATOM 389 1HG2 ILE A 25 15.516 20.866 5.838 1.00 0.00 H ATOM 390 2HG2 ILE A 25 14.992 19.192 5.544 1.00 0.00 H ATOM 391 3HG2 ILE A 25 13.997 20.272 6.549 1.00 0.00 H ATOM 392 1HD1 ILE A 25 14.703 21.942 9.797 1.00 0.00 H ATOM 393 2HD1 ILE A 25 13.910 21.482 8.271 1.00 0.00 H ATOM 394 3HD1 ILE A 25 14.064 20.295 9.588 1.00 0.00 H ATOM 395 N THR A 26 13.919 16.739 6.728 1.00 0.00 N ATOM 396 CA THR A 26 13.798 15.657 5.758 1.00 0.00 C ATOM 397 C THR A 26 13.408 16.190 4.385 1.00 0.00 C ATOM 398 O THR A 26 12.439 16.938 4.251 1.00 0.00 O ATOM 399 CB THR A 26 12.765 14.612 6.220 1.00 0.00 C ATOM 400 OG1 THR A 26 13.185 14.039 7.465 1.00 0.00 O ATOM 401 CG2 THR A 26 12.621 13.510 5.181 1.00 0.00 C ATOM 402 H THR A 26 13.082 17.179 7.083 1.00 0.00 H ATOM 403 HA THR A 26 14.763 15.155 5.678 1.00 0.00 H ATOM 404 HB THR A 26 11.799 15.095 6.365 1.00 0.00 H ATOM 405 HG1 THR A 26 13.094 14.691 8.164 1.00 0.00 H ATOM 406 1HG2 THR A 26 11.887 12.781 5.524 1.00 0.00 H ATOM 407 2HG2 THR A 26 12.291 13.941 4.237 1.00 0.00 H ATOM 408 3HG2 THR A 26 13.582 13.017 5.039 1.00 0.00 H ATOM 409 N ILE A 27 14.168 15.801 3.368 1.00 0.00 N ATOM 410 CA ILE A 27 13.966 16.318 2.019 1.00 0.00 C ATOM 411 C ILE A 27 13.368 15.257 1.106 1.00 0.00 C ATOM 412 O ILE A 27 13.951 14.190 0.912 1.00 0.00 O ATOM 413 CB ILE A 27 15.292 16.823 1.421 1.00 0.00 C ATOM 414 CG1 ILE A 27 15.959 17.822 2.369 1.00 0.00 C ATOM 415 CG2 ILE A 27 15.054 17.454 0.058 1.00 0.00 C ATOM 416 CD1 ILE A 27 15.118 19.044 2.659 1.00 0.00 C ATOM 417 H ILE A 27 14.903 15.129 3.532 1.00 0.00 H ATOM 418 HA ILE A 27 13.278 17.163 2.071 1.00 0.00 H ATOM 419 HB ILE A 27 15.982 15.987 1.308 1.00 0.00 H ATOM 420 1HG1 ILE A 27 16.185 17.331 3.315 1.00 0.00 H ATOM 421 2HG1 ILE A 27 16.905 18.155 1.940 1.00 0.00 H ATOM 422 1HG2 ILE A 27 16.001 17.806 -0.350 1.00 0.00 H ATOM 423 2HG2 ILE A 27 14.621 16.715 -0.615 1.00 0.00 H ATOM 424 3HG2 ILE A 27 14.368 18.296 0.161 1.00 0.00 H ATOM 425 1HD1 ILE A 27 15.658 19.706 3.337 1.00 0.00 H ATOM 426 2HD1 ILE A 27 14.909 19.572 1.727 1.00 0.00 H ATOM 427 3HD1 ILE A 27 14.180 18.739 3.121 1.00 0.00 H ATOM 428 N VAL A 28 12.201 15.555 0.545 1.00 0.00 N ATOM 429 CA VAL A 28 11.546 14.650 -0.391 1.00 0.00 C ATOM 430 C VAL A 28 10.903 15.415 -1.541 1.00 0.00 C ATOM 431 O VAL A 28 10.540 16.582 -1.395 1.00 0.00 O ATOM 432 CB VAL A 28 10.471 13.818 0.333 1.00 0.00 C ATOM 433 CG1 VAL A 28 9.871 12.786 -0.611 1.00 0.00 C ATOM 434 CG2 VAL A 28 11.075 13.143 1.555 1.00 0.00 C ATOM 435 H VAL A 28 11.755 16.433 0.774 1.00 0.00 H ATOM 436 HA VAL A 28 12.298 13.973 -0.800 1.00 0.00 H ATOM 437 HB VAL A 28 9.662 14.479 0.644 1.00 0.00 H ATOM 438 1HG1 VAL A 28 9.112 12.208 -0.082 1.00 0.00 H ATOM 439 2HG1 VAL A 28 9.413 13.293 -1.460 1.00 0.00 H ATOM 440 3HG1 VAL A 28 10.654 12.118 -0.965 1.00 0.00 H ATOM 441 1HG2 VAL A 28 10.309 12.557 2.063 1.00 0.00 H ATOM 442 2HG2 VAL A 28 11.888 12.487 1.245 1.00 0.00 H ATOM 443 3HG2 VAL A 28 11.462 13.902 2.236 1.00 0.00 H ATOM 444 N LEU A 29 10.765 14.753 -2.683 1.00 0.00 N ATOM 445 CA LEU A 29 10.242 15.395 -3.884 1.00 0.00 C ATOM 446 C LEU A 29 8.783 15.794 -3.703 1.00 0.00 C ATOM 447 O LEU A 29 8.227 16.534 -4.515 1.00 0.00 O ATOM 448 CB LEU A 29 10.376 14.456 -5.089 1.00 0.00 C ATOM 449 CG LEU A 29 10.016 15.065 -6.450 1.00 0.00 C ATOM 450 CD1 LEU A 29 10.935 16.244 -6.739 1.00 0.00 C ATOM 451 CD2 LEU A 29 10.136 14.001 -7.531 1.00 0.00 C ATOM 452 H LEU A 29 11.029 13.779 -2.722 1.00 0.00 H ATOM 453 HA LEU A 29 10.829 16.293 -4.079 1.00 0.00 H ATOM 454 1HB LEU A 29 11.406 14.107 -5.145 1.00 0.00 H ATOM 455 2HB LEU A 29 9.729 13.593 -4.931 1.00 0.00 H ATOM 456 HG LEU A 29 8.992 15.439 -6.422 1.00 0.00 H ATOM 457 1HD1 LEU A 29 10.679 16.677 -7.706 1.00 0.00 H ATOM 458 2HD1 LEU A 29 10.814 16.999 -5.961 1.00 0.00 H ATOM 459 3HD1 LEU A 29 11.969 15.903 -6.757 1.00 0.00 H ATOM 460 1HD2 LEU A 29 9.879 14.433 -8.498 1.00 0.00 H ATOM 461 2HD2 LEU A 29 11.160 13.627 -7.561 1.00 0.00 H ATOM 462 3HD2 LEU A 29 9.456 13.178 -7.309 1.00 0.00 H ATOM 463 N ALA A 30 8.167 15.300 -2.635 1.00 0.00 N ATOM 464 CA ALA A 30 6.800 15.675 -2.297 1.00 0.00 C ATOM 465 C ALA A 30 6.506 15.418 -0.825 1.00 0.00 C ATOM 466 O ALA A 30 5.569 14.694 -0.485 1.00 0.00 O ATOM 467 CB ALA A 30 5.812 14.919 -3.173 1.00 0.00 C ATOM 468 H ALA A 30 8.659 14.646 -2.042 1.00 0.00 H ATOM 469 HA ALA A 30 6.673 16.740 -2.498 1.00 0.00 H ATOM 470 1HB ALA A 30 4.795 15.211 -2.910 1.00 0.00 H ATOM 471 2HB ALA A 30 5.998 15.158 -4.221 1.00 0.00 H ATOM 472 3HB ALA A 30 5.934 13.848 -3.019 1.00 0.00 H ATOM 473 N ARG A 31 7.311 16.016 0.048 1.00 0.00 N ATOM 474 CA ARG A 31 7.308 15.660 1.462 1.00 0.00 C ATOM 475 C ARG A 31 5.955 15.950 2.099 1.00 0.00 C ATOM 476 O ARG A 31 5.392 15.104 2.794 1.00 0.00 O ATOM 477 CB ARG A 31 8.392 16.424 2.208 1.00 0.00 C ATOM 478 CG ARG A 31 8.486 16.111 3.693 1.00 0.00 C ATOM 479 CD ARG A 31 8.836 14.688 3.934 1.00 0.00 C ATOM 480 NE ARG A 31 8.943 14.388 5.353 1.00 0.00 N ATOM 481 CZ ARG A 31 8.978 13.145 5.871 1.00 0.00 C ATOM 482 NH1 ARG A 31 8.914 12.099 5.077 1.00 0.00 N ATOM 483 NH2 ARG A 31 9.077 12.977 7.179 1.00 0.00 N ATOM 484 H ARG A 31 7.942 16.734 -0.278 1.00 0.00 H ATOM 485 HA ARG A 31 7.515 14.593 1.550 1.00 0.00 H ATOM 486 1HB ARG A 31 9.362 16.207 1.764 1.00 0.00 H ATOM 487 2HB ARG A 31 8.217 17.495 2.107 1.00 0.00 H ATOM 488 1HG ARG A 31 9.256 16.735 4.148 1.00 0.00 H ATOM 489 2HG ARG A 31 7.526 16.314 4.170 1.00 0.00 H ATOM 490 1HD ARG A 31 8.065 14.047 3.507 1.00 0.00 H ATOM 491 2HD ARG A 31 9.794 14.464 3.465 1.00 0.00 H ATOM 492 HE ARG A 31 8.995 15.167 5.995 1.00 0.00 H ATOM 493 1HH1 ARG A 31 8.839 12.228 4.078 1.00 0.00 H ATOM 494 2HH1 ARG A 31 8.941 11.168 5.466 1.00 0.00 H ATOM 495 1HH2 ARG A 31 9.126 13.781 7.789 1.00 0.00 H ATOM 496 2HH2 ARG A 31 9.104 12.046 7.567 1.00 0.00 H ATOM 497 N ARG A 32 5.438 17.150 1.859 1.00 0.00 N ATOM 498 CA ARG A 32 4.216 17.602 2.512 1.00 0.00 C ATOM 499 C ARG A 32 2.997 16.866 1.969 1.00 0.00 C ATOM 500 O ARG A 32 2.099 16.493 2.724 1.00 0.00 O ATOM 501 CB ARG A 32 4.028 19.100 2.318 1.00 0.00 C ATOM 502 CG ARG A 32 2.748 19.666 2.913 1.00 0.00 C ATOM 503 CD ARG A 32 2.710 19.505 4.389 1.00 0.00 C ATOM 504 NE ARG A 32 3.766 20.260 5.044 1.00 0.00 N ATOM 505 CZ ARG A 32 4.101 20.138 6.343 1.00 0.00 C ATOM 506 NH1 ARG A 32 3.455 19.289 7.112 1.00 0.00 N ATOM 507 NH2 ARG A 32 5.080 20.871 6.845 1.00 0.00 N ATOM 508 H ARG A 32 5.905 17.765 1.208 1.00 0.00 H ATOM 509 HA ARG A 32 4.298 17.401 3.580 1.00 0.00 H ATOM 510 1HB ARG A 32 4.864 19.632 2.769 1.00 0.00 H ATOM 511 2HB ARG A 32 4.028 19.332 1.253 1.00 0.00 H ATOM 512 1HG ARG A 32 2.678 20.729 2.682 1.00 0.00 H ATOM 513 2HG ARG A 32 1.888 19.145 2.489 1.00 0.00 H ATOM 514 1HD ARG A 32 1.752 19.859 4.769 1.00 0.00 H ATOM 515 2HD ARG A 32 2.835 18.453 4.644 1.00 0.00 H ATOM 516 HE ARG A 32 4.286 20.923 4.485 1.00 0.00 H ATOM 517 1HH1 ARG A 32 2.708 18.728 6.728 1.00 0.00 H ATOM 518 2HH1 ARG A 32 3.706 19.197 8.085 1.00 0.00 H ATOM 519 1HH2 ARG A 32 5.576 21.524 6.254 1.00 0.00 H ATOM 520 2HH2 ARG A 32 5.330 20.780 7.818 1.00 0.00 H ATOM 521 N ALA A 33 2.973 16.658 0.657 1.00 0.00 N ATOM 522 CA ALA A 33 1.860 15.976 0.009 1.00 0.00 C ATOM 523 C ALA A 33 1.739 14.537 0.493 1.00 0.00 C ATOM 524 O ALA A 33 0.635 14.027 0.684 1.00 0.00 O ATOM 525 CB ALA A 33 2.023 16.015 -1.503 1.00 0.00 C ATOM 526 H ALA A 33 3.747 16.982 0.093 1.00 0.00 H ATOM 527 HA ALA A 33 0.939 16.506 0.256 1.00 0.00 H ATOM 528 1HB ALA A 33 1.184 15.502 -1.973 1.00 0.00 H ATOM 529 2HB ALA A 33 2.050 17.051 -1.840 1.00 0.00 H ATOM 530 3HB ALA A 33 2.952 15.520 -1.781 1.00 0.00 H ATOM 531 N ILE A 34 2.880 13.887 0.689 1.00 0.00 N ATOM 532 CA ILE A 34 2.905 12.510 1.169 1.00 0.00 C ATOM 533 C ILE A 34 2.409 12.418 2.606 1.00 0.00 C ATOM 534 O ILE A 34 1.630 11.530 2.949 1.00 0.00 O ATOM 535 CB ILE A 34 4.325 11.921 1.076 1.00 0.00 C ATOM 536 CG1 ILE A 34 4.728 11.726 -0.388 1.00 0.00 C ATOM 537 CG2 ILE A 34 4.405 10.605 1.834 1.00 0.00 C ATOM 538 CD1 ILE A 34 6.203 11.463 -0.585 1.00 0.00 C ATOM 539 H ILE A 34 3.754 14.358 0.502 1.00 0.00 H ATOM 540 HA ILE A 34 2.251 11.911 0.535 1.00 0.00 H ATOM 541 HB ILE A 34 5.038 12.622 1.508 1.00 0.00 H ATOM 542 1HG1 ILE A 34 4.172 10.889 -0.810 1.00 0.00 H ATOM 543 2HG1 ILE A 34 4.462 12.615 -0.960 1.00 0.00 H ATOM 544 1HG2 ILE A 34 5.415 10.202 1.757 1.00 0.00 H ATOM 545 2HG2 ILE A 34 4.160 10.772 2.881 1.00 0.00 H ATOM 546 3HG2 ILE A 34 3.698 9.894 1.405 1.00 0.00 H ATOM 547 1HD1 ILE A 34 6.411 11.336 -1.648 1.00 0.00 H ATOM 548 2HD1 ILE A 34 6.778 12.306 -0.201 1.00 0.00 H ATOM 549 3HD1 ILE A 34 6.485 10.557 -0.050 1.00 0.00 H ATOM 550 N ILE A 35 2.868 13.342 3.444 1.00 0.00 N ATOM 551 CA ILE A 35 2.474 13.365 4.848 1.00 0.00 C ATOM 552 C ILE A 35 0.964 13.510 4.993 1.00 0.00 C ATOM 553 O ILE A 35 0.323 12.743 5.712 1.00 0.00 O ATOM 554 CB ILE A 35 3.175 14.514 5.596 1.00 0.00 C ATOM 555 CG1 ILE A 35 4.675 14.232 5.721 1.00 0.00 C ATOM 556 CG2 ILE A 35 2.552 14.714 6.968 1.00 0.00 C ATOM 557 CD1 ILE A 35 5.490 15.438 6.130 1.00 0.00 C ATOM 558 H ILE A 35 3.504 14.046 3.100 1.00 0.00 H ATOM 559 HA ILE A 35 2.781 12.426 5.309 1.00 0.00 H ATOM 560 HB ILE A 35 3.074 15.436 5.023 1.00 0.00 H ATOM 561 1HG1 ILE A 35 4.837 13.445 6.456 1.00 0.00 H ATOM 562 2HG1 ILE A 35 5.058 13.871 4.766 1.00 0.00 H ATOM 563 1HG2 ILE A 35 3.060 15.529 7.484 1.00 0.00 H ATOM 564 2HG2 ILE A 35 1.496 14.958 6.856 1.00 0.00 H ATOM 565 3HG2 ILE A 35 2.652 13.798 7.551 1.00 0.00 H ATOM 566 1HD1 ILE A 35 6.542 15.160 6.197 1.00 0.00 H ATOM 567 2HD1 ILE A 35 5.370 16.228 5.388 1.00 0.00 H ATOM 568 3HD1 ILE A 35 5.148 15.796 7.100 1.00 0.00 H ATOM 569 N GLU A 36 0.400 14.499 4.308 1.00 0.00 N ATOM 570 CA GLU A 36 -1.025 14.788 4.411 1.00 0.00 C ATOM 571 C GLU A 36 -1.860 13.638 3.862 1.00 0.00 C ATOM 572 O GLU A 36 -2.881 13.268 4.443 1.00 0.00 O ATOM 573 CB GLU A 36 -1.363 16.080 3.664 1.00 0.00 C ATOM 574 CG GLU A 36 -0.849 17.346 4.334 1.00 0.00 C ATOM 575 CD GLU A 36 -1.229 18.597 3.591 1.00 0.00 C ATOM 576 OE1 GLU A 36 -1.747 18.486 2.506 1.00 0.00 O ATOM 577 OE2 GLU A 36 -1.000 19.664 4.109 1.00 0.00 O ATOM 578 H GLU A 36 0.975 15.066 3.701 1.00 0.00 H ATOM 579 HA GLU A 36 -1.274 14.930 5.463 1.00 0.00 H ATOM 580 1HB GLU A 36 -0.944 16.039 2.659 1.00 0.00 H ATOM 581 2HB GLU A 36 -2.445 16.170 3.565 1.00 0.00 H ATOM 582 1HG GLU A 36 -1.253 17.401 5.344 1.00 0.00 H ATOM 583 2HG GLU A 36 0.236 17.290 4.409 1.00 0.00 H ATOM 584 N PHE A 37 -1.422 13.078 2.740 1.00 0.00 N ATOM 585 CA PHE A 37 -2.157 12.005 2.081 1.00 0.00 C ATOM 586 C PHE A 37 -2.283 10.787 2.988 1.00 0.00 C ATOM 587 O PHE A 37 -3.383 10.282 3.215 1.00 0.00 O ATOM 588 CB PHE A 37 -1.466 11.606 0.776 1.00 0.00 C ATOM 589 CG PHE A 37 -2.187 10.532 0.012 1.00 0.00 C ATOM 590 CD1 PHE A 37 -3.202 10.855 -0.877 1.00 0.00 C ATOM 591 CD2 PHE A 37 -1.853 9.197 0.180 1.00 0.00 C ATOM 592 CE1 PHE A 37 -3.866 9.868 -1.580 1.00 0.00 C ATOM 593 CE2 PHE A 37 -2.514 8.208 -0.522 1.00 0.00 C ATOM 594 CZ PHE A 37 -3.522 8.545 -1.403 1.00 0.00 C ATOM 595 H PHE A 37 -0.557 13.403 2.333 1.00 0.00 H ATOM 596 HA PHE A 37 -3.158 12.367 1.841 1.00 0.00 H ATOM 597 1HB PHE A 37 -1.375 12.479 0.131 1.00 0.00 H ATOM 598 2HB PHE A 37 -0.459 11.252 0.991 1.00 0.00 H ATOM 599 HD1 PHE A 37 -3.473 11.902 -1.018 1.00 0.00 H ATOM 600 HD2 PHE A 37 -1.057 8.931 0.877 1.00 0.00 H ATOM 601 HE1 PHE A 37 -4.661 10.136 -2.275 1.00 0.00 H ATOM 602 HE2 PHE A 37 -2.241 7.163 -0.381 1.00 0.00 H ATOM 603 HZ PHE A 37 -4.045 7.766 -1.956 1.00 0.00 H ATOM 604 N LEU A 38 -1.152 10.319 3.503 1.00 0.00 N ATOM 605 CA LEU A 38 -1.114 9.079 4.269 1.00 0.00 C ATOM 606 C LEU A 38 -1.907 9.208 5.563 1.00 0.00 C ATOM 607 O LEU A 38 -2.549 8.255 6.006 1.00 0.00 O ATOM 608 CB LEU A 38 0.338 8.697 4.586 1.00 0.00 C ATOM 609 CG LEU A 38 1.185 8.250 3.389 1.00 0.00 C ATOM 610 CD1 LEU A 38 2.643 8.133 3.813 1.00 0.00 C ATOM 611 CD2 LEU A 38 0.660 6.922 2.863 1.00 0.00 C ATOM 612 H LEU A 38 -0.296 10.835 3.359 1.00 0.00 H ATOM 613 HA LEU A 38 -1.555 8.285 3.665 1.00 0.00 H ATOM 614 1HB LEU A 38 0.832 9.556 5.039 1.00 0.00 H ATOM 615 2HB LEU A 38 0.332 7.883 5.311 1.00 0.00 H ATOM 616 HG LEU A 38 1.127 9.001 2.600 1.00 0.00 H ATOM 617 1HD1 LEU A 38 3.245 7.815 2.962 1.00 0.00 H ATOM 618 2HD1 LEU A 38 2.998 9.101 4.166 1.00 0.00 H ATOM 619 3HD1 LEU A 38 2.731 7.399 4.613 1.00 0.00 H ATOM 620 1HD2 LEU A 38 1.262 6.604 2.011 1.00 0.00 H ATOM 621 2HD2 LEU A 38 0.720 6.170 3.650 1.00 0.00 H ATOM 622 3HD2 LEU A 38 -0.378 7.039 2.551 1.00 0.00 H ATOM 623 N ARG A 39 -1.859 10.390 6.166 1.00 0.00 N ATOM 624 CA ARG A 39 -2.591 10.653 7.399 1.00 0.00 C ATOM 625 C ARG A 39 -4.095 10.567 7.175 1.00 0.00 C ATOM 626 O ARG A 39 -4.837 10.113 8.046 1.00 0.00 O ATOM 627 CB ARG A 39 -2.241 12.029 7.948 1.00 0.00 C ATOM 628 CG ARG A 39 -0.867 12.131 8.589 1.00 0.00 C ATOM 629 CD ARG A 39 -0.571 13.515 9.038 1.00 0.00 C ATOM 630 NE ARG A 39 0.712 13.604 9.715 1.00 0.00 N ATOM 631 CZ ARG A 39 1.248 14.744 10.194 1.00 0.00 C ATOM 632 NH1 ARG A 39 0.600 15.880 10.061 1.00 0.00 N ATOM 633 NH2 ARG A 39 2.424 14.720 10.795 1.00 0.00 N ATOM 634 H ARG A 39 -1.299 11.127 5.759 1.00 0.00 H ATOM 635 HA ARG A 39 -2.304 9.904 8.138 1.00 0.00 H ATOM 636 1HB ARG A 39 -2.285 12.762 7.144 1.00 0.00 H ATOM 637 2HB ARG A 39 -2.978 12.320 8.697 1.00 0.00 H ATOM 638 1HG ARG A 39 -0.820 11.472 9.457 1.00 0.00 H ATOM 639 2HG ARG A 39 -0.105 11.834 7.867 1.00 0.00 H ATOM 640 1HD ARG A 39 -0.548 14.180 8.175 1.00 0.00 H ATOM 641 2HD ARG A 39 -1.345 13.846 9.730 1.00 0.00 H ATOM 642 HE ARG A 39 1.240 12.750 9.836 1.00 0.00 H ATOM 643 1HH1 ARG A 39 -0.299 15.899 9.601 1.00 0.00 H ATOM 644 2HH1 ARG A 39 1.002 16.735 10.420 1.00 0.00 H ATOM 645 1HH2 ARG A 39 2.922 13.846 10.897 1.00 0.00 H ATOM 646 2HH2 ARG A 39 2.825 15.574 11.154 1.00 0.00 H ATOM 647 N LYS A 40 -4.539 11.006 6.003 1.00 0.00 N ATOM 648 CA LYS A 40 -5.954 10.957 5.652 1.00 0.00 C ATOM 649 C LYS A 40 -6.416 9.524 5.423 1.00 0.00 C ATOM 650 O LYS A 40 -7.568 9.182 5.690 1.00 0.00 O ATOM 651 CB LYS A 40 -6.227 11.802 4.407 1.00 0.00 C ATOM 652 CG LYS A 40 -6.155 13.306 4.638 1.00 0.00 C ATOM 653 CD LYS A 40 -6.385 14.076 3.347 1.00 0.00 C ATOM 654 CE LYS A 40 -6.297 15.578 3.573 1.00 0.00 C ATOM 655 NZ LYS A 40 -6.499 16.344 2.314 1.00 0.00 N ATOM 656 H LYS A 40 -3.881 11.382 5.336 1.00 0.00 H ATOM 657 HA LYS A 40 -6.529 11.383 6.476 1.00 0.00 H ATOM 658 1HB LYS A 40 -5.506 11.549 3.629 1.00 0.00 H ATOM 659 2HB LYS A 40 -7.220 11.571 4.020 1.00 0.00 H ATOM 660 1HG LYS A 40 -6.913 13.599 5.366 1.00 0.00 H ATOM 661 2HG LYS A 40 -5.175 13.566 5.037 1.00 0.00 H ATOM 662 1HD LYS A 40 -5.635 13.783 2.610 1.00 0.00 H ATOM 663 2HD LYS A 40 -7.371 13.835 2.950 1.00 0.00 H ATOM 664 1HE LYS A 40 -7.055 15.881 4.294 1.00 0.00 H ATOM 665 2HE LYS A 40 -5.318 15.828 3.982 1.00 0.00 H ATOM 666 1HZ LYS A 40 -6.433 17.333 2.506 1.00 0.00 H ATOM 667 2HZ LYS A 40 -5.790 16.083 1.643 1.00 0.00 H ATOM 668 3HZ LYS A 40 -7.412 16.135 1.935 1.00 0.00 H ATOM 669 N LEU A 41 -5.510 8.688 4.928 1.00 0.00 N ATOM 670 CA LEU A 41 -5.810 7.279 4.701 1.00 0.00 C ATOM 671 C LEU A 41 -5.913 6.520 6.017 1.00 0.00 C ATOM 672 O LEU A 41 -6.770 5.651 6.178 1.00 0.00 O ATOM 673 CB LEU A 41 -4.728 6.642 3.820 1.00 0.00 C ATOM 674 CG LEU A 41 -5.027 6.612 2.315 1.00 0.00 C ATOM 675 CD1 LEU A 41 -5.200 8.036 1.803 1.00 0.00 C ATOM 676 CD2 LEU A 41 -3.896 5.903 1.586 1.00 0.00 C ATOM 677 H LEU A 41 -4.590 9.038 4.701 1.00 0.00 H ATOM 678 HA LEU A 41 -6.766 7.208 4.180 1.00 0.00 H ATOM 679 1HB LEU A 41 -3.798 7.189 3.961 1.00 0.00 H ATOM 680 2HB LEU A 41 -4.574 5.614 4.147 1.00 0.00 H ATOM 681 HG LEU A 41 -5.963 6.080 2.141 1.00 0.00 H ATOM 682 1HD1 LEU A 41 -5.413 8.015 0.734 1.00 0.00 H ATOM 683 2HD1 LEU A 41 -6.028 8.514 2.328 1.00 0.00 H ATOM 684 3HD1 LEU A 41 -4.284 8.599 1.980 1.00 0.00 H ATOM 685 1HD2 LEU A 41 -4.110 5.881 0.517 1.00 0.00 H ATOM 686 2HD2 LEU A 41 -2.961 6.435 1.759 1.00 0.00 H ATOM 687 3HD2 LEU A 41 -3.807 4.882 1.959 1.00 0.00 H ATOM 688 N GLU A 42 -5.035 6.853 6.957 1.00 0.00 N ATOM 689 CA GLU A 42 -5.013 6.189 8.255 1.00 0.00 C ATOM 690 C GLU A 42 -6.170 6.653 9.131 1.00 0.00 C ATOM 691 O GLU A 42 -6.722 5.876 9.910 1.00 0.00 O ATOM 692 CB GLU A 42 -3.684 6.453 8.966 1.00 0.00 C ATOM 693 CG GLU A 42 -2.484 5.762 8.332 1.00 0.00 C ATOM 694 CD GLU A 42 -1.201 6.028 9.068 1.00 0.00 C ATOM 695 OE1 GLU A 42 -1.214 6.818 9.981 1.00 0.00 O ATOM 696 OE2 GLU A 42 -0.206 5.438 8.718 1.00 0.00 O ATOM 697 H GLU A 42 -4.365 7.584 6.767 1.00 0.00 H ATOM 698 HA GLU A 42 -5.106 5.113 8.095 1.00 0.00 H ATOM 699 1HB GLU A 42 -3.485 7.524 8.979 1.00 0.00 H ATOM 700 2HB GLU A 42 -3.753 6.119 10.001 1.00 0.00 H ATOM 701 1HG GLU A 42 -2.664 4.688 8.314 1.00 0.00 H ATOM 702 2HG GLU A 42 -2.384 6.103 7.303 1.00 0.00 H ATOM 703 N LYS A 43 -6.531 7.925 9.000 1.00 0.00 N ATOM 704 CA LYS A 43 -7.607 8.502 9.797 1.00 0.00 C ATOM 705 C LYS A 43 -8.880 7.672 9.687 1.00 0.00 C ATOM 706 O LYS A 43 -9.131 7.037 8.663 1.00 0.00 O ATOM 707 OXT LYS A 43 -9.652 7.633 10.604 1.00 0.00 O ATOM 708 CB LYS A 43 -7.880 9.943 9.365 1.00 0.00 C ATOM 709 CG LYS A 43 -8.950 10.653 10.183 1.00 0.00 C ATOM 710 CD LYS A 43 -9.107 12.103 9.749 1.00 0.00 C ATOM 711 CE LYS A 43 -10.172 12.815 10.570 1.00 0.00 C ATOM 712 NZ LYS A 43 -10.337 14.235 10.156 1.00 0.00 N ATOM 713 H LYS A 43 -6.048 8.507 8.330 1.00 0.00 H ATOM 714 HA LYS A 43 -7.292 8.522 10.841 1.00 0.00 H ATOM 715 1HB LYS A 43 -6.961 10.526 9.440 1.00 0.00 H ATOM 716 2HB LYS A 43 -8.192 9.958 8.321 1.00 0.00 H ATOM 717 1HG LYS A 43 -9.904 10.140 10.058 1.00 0.00 H ATOM 718 2HG LYS A 43 -8.680 10.626 11.238 1.00 0.00 H ATOM 719 1HD LYS A 43 -8.157 12.624 9.871 1.00 0.00 H ATOM 720 2HD LYS A 43 -9.389 12.139 8.697 1.00 0.00 H ATOM 721 1HE LYS A 43 -11.125 12.302 10.453 1.00 0.00 H ATOM 722 2HE LYS A 43 -9.897 12.788 11.625 1.00 0.00 H ATOM 723 1HZ LYS A 43 -11.050 14.671 10.723 1.00 0.00 H ATOM 724 2HZ LYS A 43 -9.463 14.726 10.278 1.00 0.00 H ATOM 725 3HZ LYS A 43 -10.611 14.273 9.184 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE start03_0265_0002.pdb label fa_atr fa_rep fa_sol fa_intra_atr_xover4 fa_intra_rep_xover4 fa_intra_sol_xover4 lk_ball lk_ball_iso lk_ball_bridge lk_ball_bridge_uncpl fa_elec fa_intra_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun_dev fa_dun_rot fa_dun_semi p_aa_pp hxl_tors ref rama_prepro gen_bonded total weights 1 0.55 1 1 0.55 1 0.92 -0.38 -0.33 -0.33 1 1 1.25 1 1 1 1 1.25 0.48 0.69 0.76 0.78 0.61 1 1 0.5 1 NA pose -211.992 27.0647 153.445 -15.8401 10.7277 10.4035 74.4768 -88.0152 -0.3048 -2.16761 -44.4493 -11.5265 0 -23.8925 -6.16818 0 0 0 1.7301 2.13215 31.5075 33.614 -12.6287 10.3945 -24.4991 1.2856 0 -84.7032 THR:NtermProteinFull_1 -4.04228 0.30997 3.54162 -0.18605 0.12725 0.0723 1.73266 -1.79504 -0.0344 -0.26307 -1.71473 -1.075 0 0 0 0 0 0 0.09047 0.00057 0.07866 0 0 2.28528 -1.0874 0 0 -1.95919 GLU_2 -4.37322 0.34753 3.79506 -0.46397 0.25639 1.45451 1.67821 -1.8768 -0.02621 -0.14403 -2.26263 -2.9361 0 0 0 0 0 0 -0.06602 0.01865 0 4.00624 -0.34731 0 -2.7348 -0.24081 0 -3.91531 GLU_3 -3.50388 0.25457 3.66199 -0.21574 0.03295 0.30441 1.55005 -1.76126 -0.02621 -0.14403 -1.29712 -0.59108 0 0 0 0 0 0 0.02506 0.00625 0 3.00174 -0.23783 0 -2.7348 -0.42365 0 -2.09856 GLU_4 -4.70285 0.25419 5.51318 -0.21392 0.03387 0.30328 2.07624 -2.40874 -0.0344 -0.26307 -0.94572 -0.56614 0 0 0 0 0 0 0.11385 0.00865 0 3.1572 -0.28687 0 -2.7348 -0.37634 0 -1.07237 ILE_5 -7.51507 1.02305 4.08695 -0.51208 0.58053 0.10055 2.50756 -2.67261 -0.00801 -0.10238 -1.43785 0.11838 0 0 0 0 0 0 -0.06223 0.12918 0.51144 0 -0.45206 0 0.73287 0.05276 0 -2.91901 ARG_6 -6.58239 0.66657 5.09292 -0.44825 0.05769 0.2271 2.62023 -2.65273 -0 -0 -2.54862 0.38129 0 0 0 0 0 0 -0.02711 0.11528 2.06546 0 -0.12397 0 -1.2888 0.17283 0 -2.2725 THR_7 -5.07146 0.27212 5.37537 -0.20272 0.1494 0.07341 2.62334 -2.64021 -0 -0 -2.65844 -0.11165 0 0 0 0 0 0 -0.01337 0.00019 0.05973 0 -0.02732 2.28525 -1.0874 0.32861 0 -0.64517 GLU_8 -4.64287 0.25132 5.62306 -0.21376 0.02769 0.29628 2.34614 -2.52173 -0.00801 -0.10238 -1.16575 -0.58526 0 0 0 0 0 0 -0.03827 0.03365 0 3.02308 -0.18532 0 -2.7348 0.27139 0 -0.32552 ILE_9 -8.61108 1.14109 3.70607 -0.51643 0.69496 0.10134 2.68312 -2.93188 -0.02153 -0.18225 -1.83569 0.07165 0 0 0 0 0 0 -0.06709 0.00434 0.67314 0 -0.42918 0 0.73287 -0.02756 0 -4.8141 ALA_10 -5.62949 0.87759 3.72667 -0.02164 0 0 2.52175 -2.67539 -0.0139 -0.11126 -2.29361 -0.35893 0 0 0 0 0 0 -0.03558 0 0 0 -0.27147 0 1.8394 0.09793 0 -2.34792 ARG_11 -4.35669 0.24541 4.19367 -0.44415 0.05664 0.22236 1.43848 -2.08282 -0 -0 -1.01468 0.35269 0 0 0 0 0 0 -0.04843 0.06548 2.03819 0 -0.1151 0 -1.2888 -0.0992 0 -0.83695 GLU_12 -3.19574 0.16918 3.8582 -0.21319 0.02819 0.29936 1.39712 -1.75539 -0.00922 -0.10518 -0.24841 -0.58692 0 0 0 0 0 0 -0.04071 0.06866 0 3.09002 -0.24901 0 -2.7348 -0.25705 0 -0.48489 VAL_13 -5.17427 0.82193 2.45159 -0.30177 0.22959 0.06705 1.6492 -1.94445 -0 -0 -0.50669 -0.10049 0 0 0 0 0 0 0.20361 0.0016 0.12561 0 -0.42854 0 1.9342 0.01326 0 -0.95856 ASN_14 -3.44735 0.30472 2.75553 -0.37815 0.08783 0.76645 1.17061 -1.57504 -0.0123 -0.07707 -1.01922 -0.88605 0 0 0 0 0 0 -0.05299 0.00509 0 1.62392 -1.04829 0 -0.93687 0.04038 0 -2.67881 SER_15 -3.70446 0.53991 3.99682 -0.03084 0.00173 0.05701 1.47903 -2.05453 -0.01395 -0.11216 -0.12892 -0.78326 0 0 0 0 0 0 0.24291 0.01304 0.05434 0 -0.22171 0.61715 -0.77834 0.57542 0 -0.2508 THR_16 -2.89231 0.40423 1.35831 -0.16803 0.09785 0.06101 0.25894 -1.05167 -0 -0 -0.29546 -0.07698 0 0 0 0 0 0 -0.00904 0.02411 0.04493 0 0.05931 2.29726 -1.0874 0.72868 0 -0.24625 ILE_17 -6.67973 0.91561 3.97812 -0.46782 0.55569 0.09181 3.02323 -2.51074 -0.00752 -0.02712 -0.93811 0.10504 0 0 0 0 0 0 -0.06889 0.06113 0.52731 0 -0.57512 0 0.73287 -0.09474 0 -1.37899 LYS_18 -2.97584 0.58943 0.61588 -0.54203 0.48152 0.41817 0.17661 -0.72372 -0 -0 -0.32917 -0.27888 0 0 0 0 0 0 -0.01511 0.03906 3.42421 0 0.33408 0 -1.5107 -0.10523 0 -0.40174 VAL_19 -5.57465 0.60568 2.59617 -0.271 0.20121 0.0568 1.55514 -1.95031 -0.02278 -0.17955 -1.27934 -0.25963 0 0 0 0 0 0 -0.08178 0.01252 0.31398 0 -0.77131 0 1.9342 -0.18882 0 -3.30349 GLU_20 -3.53463 0.43915 2.07457 -0.29093 0.06237 0.33947 0.541 -1.19427 -0 -0 -0.54862 -0.27379 0 0 0 0 0 0 0.05723 0.03288 0 2.97446 0.03378 0 -2.7348 -0.3654 0 -2.38752 SER_21 -3.05342 0.52856 4.01881 -0.03175 0.00157 0.05879 2.11916 -1.86381 -0 -0 -0.84991 -0.79323 0 0 0 0 0 0 -0.05612 9e-05 0.10066 0 -0.11855 0.61822 -0.77834 0.22537 0 0.1261 ASN_22 -1.5571 0.36169 1.91122 -0.19136 0.02683 0.32246 0.62974 -0.88463 -0 -0 0.5342 -0.98463 0 0 0 0 0 0 0.23645 0.04428 0 1.74784 -0.8696 0 -0.93687 0.27748 0 0.668 GLY_23 -1.81321 0.27154 2.06728 -7e-05 0 0 0.5702 -0.98116 -0 -0 -0.13962 -0.39946 0 0 0 0 0 0 -0.17516 0 0 0 -1.51559 0 0.83697 -0.53331 0 -1.81161 GLU_24 -3.49854 0.32178 4.34154 -0.20697 0.03217 0.29602 2.25803 -2.04674 -0.00657 -0.0196 -1.94432 -0.46431 0 0 0 0 0 0 -0.00163 0.02321 0 3.00803 0.02334 0 -2.7348 -0.52933 0 -1.14869 ILE_25 -3.97547 0.48044 0.89383 -0.6609 0.97623 0.13185 0.11673 -1.12118 -0.00424 -0.01402 -0.1684 0.39602 0 0 0 0 0 0 0.05533 0.11938 0.97759 0 -0.71854 0 0.73287 -0.41061 0 -2.19308 THR_26 -4.23601 0.30802 3.30013 -0.17669 0.12448 0.06336 1.59874 -1.85979 -0.0303 -0.19778 -1.43052 -0.20738 0 0 0 0 0 0 0.11862 0.00036 0.13376 0 -0.11127 2.29132 -1.0874 -0.31358 0 -1.71193 ILE_27 -3.94277 0.88502 0.44542 -0.65845 1.02216 0.13046 0.13922 -1.03624 -0.00424 -0.01402 -0.25878 0.35843 0 0 0 0 0 0 0.11171 0.04596 1.01086 0 -0.7412 0 0.73287 -0.30149 0 -2.07509 VAL_28 -6.10545 2.42014 3.60124 -0.2345 0.18486 0.04321 2.52649 -2.39774 -0.00848 -0.02576 -1.06383 -0.23025 0 0 0 0 0 0 0.29369 0.29415 1.09406 0 -0.10012 0 1.9342 -0.32356 0 1.90236 LEU_29 -6.20061 1.2869 2.7856 -0.74639 1.08843 0.34155 1.47368 -2.23721 -0 -0 -0.5129 -0.07726 0 0 0 0 0 0 0.10165 0.00664 2.16948 0 0.03728 0 0.18072 0.19319 0 -0.10924 ALA_30 -6.23485 2.05262 1.90765 -0.02829 0.01238 0 1.72253 -2.33058 -0.00256 -0.02172 -0.62645 -0.46059 0 0 0 0 0 0 0.64815 0 0 0 -0.31868 0 1.8394 1.26842 0 -0.57258 ARG_31 -9.50017 1.56082 6.08997 -0.9491 0.5123 0.7049 1.99563 -3.04449 -5e-05 -0.0009 -0.41404 0.26951 0 0 0 0 0 0 0.10616 0.0535 2.79744 0 0.00196 0 -1.2888 1.31319 0 0.20784 ARG_32 -6.24491 0.39181 4.89993 -1.24986 0.62149 0.88735 1.84403 -2.52136 -0 -0 -0.14945 0.24296 0 0 0 0 0 0 -0.01155 0.02989 3.18567 0 -0.07792 0 -1.2888 0.26068 0 0.81993 ALA_33 -4.32044 0.32259 2.69896 -0.02212 0 0 1.43009 -1.92776 -0 -0 -0.93363 -0.36085 0 0 0 0 0 0 0.01839 0 0 0 -0.23408 0 1.8394 -0.14788 0 -1.63733 ILE_34 -8.74927 1.04687 4.28633 -0.5151 0.62016 0.10226 2.65352 -2.89065 -0 -0 -1.74732 0.05393 0 0 0 0 0 0 -0.06329 0.11071 0.67433 0 -0.43264 0 0.73287 -0.02977 0 -4.14704 ILE_35 -7.3954 0.7057 5.05365 -0.50832 0.57384 0.09766 2.37512 -2.85947 -0.00256 -0.02172 -1.61981 0.20333 0 0 0 0 0 0 0.01009 0.07554 0.46235 0 -0.37104 0 0.73287 0.59115 0 -1.89699 GLU_36 -5.11128 0.25781 5.90279 -0.21327 0.02521 0.28845 2.1121 -2.52392 -0 -0 -1.87265 -0.57836 0 0 0 0 0 0 -0.0424 0.06312 0 3.03322 -0.21063 0 -2.7348 0.33172 0 -1.2729 PHE_37 -7.50977 1.42879 3.36981 -0.85932 0.06671 0.2842 2.73585 -2.51103 -0 -0 -1.85751 -0.01022 0 0 0 0 0 0 0.1594 0.09519 0 1.86422 -0.42154 0 1.0402 0.19184 0 -1.93319 LEU_38 -7.00521 0.38386 4.37345 -0.50968 0.56383 0.12421 2.61555 -2.61644 -0 -0 -1.8259 0.25092 0 0 0 0 0 0 0.03117 0.04964 0.2899 0 -0.30824 0 0.18072 0.28649 0 -3.11572 ARG_39 -5.33782 0.41323 5.55305 -0.44178 0.04753 0.21908 2.35533 -2.63074 -0.00012 -0.00273 -2.05687 0.36256 0 0 0 0 0 0 0.02884 0.16715 2.04628 0 -0.15208 0 -1.2888 -0.17946 0 -0.89735 LYS_40 -4.279 0.29251 4.60736 -0.30768 0.0272 0.14288 1.7966 -2.14459 -0.00357 -0.01654 -0.68313 -0.06635 0 0 0 0 0 0 0.10533 0.06749 1.88604 0 -0.08556 0 -1.5107 -0.32971 0 -0.50142 LEU_41 -4.93746 0.65048 2.40144 -0.52681 0.3151 0.12105 1.70331 -1.83131 -0 -0 -0.27758 0.04925 0 0 0 0 0 0 -0.02308 0.21192 3.18703 0 -0.25761 0 0.18072 -0.22445 0 0.742 GLU_42 -2.65756 0.13621 3.61556 -0.21547 0.02687 0.30156 1.29543 -1.56825 -0.00012 -0.00273 -0.21053 -0.59292 0 0 0 0 0 0 -0.02817 0.03075 0 3.084 -0.30314 0 -2.7348 -0.22242 0 -0.04572 LYS:CtermProteinFull_43 -2.11646 0.12404 3.3179 -0.48373 0.09503 0.42957 1.38108 -1.40678 -0.00357 -0.01654 0.12836 -0.04648 0 0 0 0 0 0 0 0.00285 1.57506 0 0 0 -1.5107 -0.2108 0 1.25883 #END_POSE_ENERGIES_TABLE start03_0265_0002.pdb score_per_res -1.46203 total_score -62.8675
HEEH_KT_rd6_1538.pdb
ATOM 1 N ASP A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA ASP A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C ASP A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O ASP A 1 1.400 2.332 -0.559 1.00 0.00 O ATOM 5 CB ASP A 1 1.994 -0.762 -1.214 1.00 0.00 C ATOM 6 CG ASP A 1 1.646 -2.244 -1.186 1.00 0.00 C ATOM 7 OD1 ASP A 1 1.243 -2.719 -0.151 1.00 0.00 O ATOM 8 OD2 ASP A 1 1.786 -2.886 -2.199 1.00 0.00 O ATOM 9 1H ASP A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 10 2H ASP A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 11 3H ASP A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 12 HA ASP A 1 1.804 -0.509 0.900 1.00 0.00 H ATOM 13 1HB ASP A 1 1.587 -0.325 -2.127 1.00 0.00 H ATOM 14 2HB ASP A 1 3.079 -0.659 -1.258 1.00 0.00 H ATOM 15 N TRP A 2 3.164 1.601 0.631 1.00 0.00 N ATOM 16 CA TRP A 2 3.745 2.928 0.800 1.00 0.00 C ATOM 17 C TRP A 2 4.279 3.467 -0.520 1.00 0.00 C ATOM 18 O TRP A 2 4.354 4.680 -0.722 1.00 0.00 O ATOM 19 CB TRP A 2 4.873 2.889 1.833 1.00 0.00 C ATOM 20 CG TRP A 2 4.389 2.950 3.251 1.00 0.00 C ATOM 21 CD1 TRP A 2 4.443 1.949 4.174 1.00 0.00 C ATOM 22 CD2 TRP A 2 3.771 4.077 3.917 1.00 0.00 C ATOM 23 NE1 TRP A 2 3.904 2.372 5.363 1.00 0.00 N ATOM 24 CE2 TRP A 2 3.488 3.673 5.225 1.00 0.00 C ATOM 25 CE3 TRP A 2 3.441 5.377 3.515 1.00 0.00 C ATOM 26 CZ2 TRP A 2 2.887 4.521 6.141 1.00 0.00 C ATOM 27 CZ3 TRP A 2 2.839 6.228 4.435 1.00 0.00 C ATOM 28 CH2 TRP A 2 2.570 5.811 5.714 1.00 0.00 C ATOM 29 H TRP A 2 3.653 0.800 1.002 1.00 0.00 H ATOM 30 HA TRP A 2 2.968 3.602 1.164 1.00 0.00 H ATOM 31 1HB TRP A 2 5.450 1.973 1.707 1.00 0.00 H ATOM 32 2HB TRP A 2 5.548 3.728 1.666 1.00 0.00 H ATOM 33 HD1 TRP A 2 4.855 0.957 3.994 1.00 0.00 H ATOM 34 HE1 TRP A 2 3.824 1.818 6.203 1.00 0.00 H ATOM 35 HE3 TRP A 2 3.654 5.715 2.502 1.00 0.00 H ATOM 36 HZ2 TRP A 2 2.665 4.208 7.161 1.00 0.00 H ATOM 37 HZ3 TRP A 2 2.584 7.239 4.113 1.00 0.00 H ATOM 38 HH2 TRP A 2 2.097 6.504 6.409 1.00 0.00 H ATOM 39 N GLU A 3 4.651 2.560 -1.417 1.00 0.00 N ATOM 40 CA GLU A 3 5.201 2.945 -2.712 1.00 0.00 C ATOM 41 C GLU A 3 4.216 3.799 -3.498 1.00 0.00 C ATOM 42 O GLU A 3 4.606 4.761 -4.162 1.00 0.00 O ATOM 43 CB GLU A 3 5.573 1.701 -3.523 1.00 0.00 C ATOM 44 CG GLU A 3 6.777 0.939 -2.989 1.00 0.00 C ATOM 45 CD GLU A 3 7.072 -0.311 -3.771 1.00 0.00 C ATOM 46 OE1 GLU A 3 6.262 -0.685 -4.585 1.00 0.00 O ATOM 47 OE2 GLU A 3 8.109 -0.892 -3.555 1.00 0.00 O ATOM 48 H GLU A 3 4.549 1.580 -1.197 1.00 0.00 H ATOM 49 HA GLU A 3 6.110 3.523 -2.544 1.00 0.00 H ATOM 50 1HB GLU A 3 4.726 1.015 -3.547 1.00 0.00 H ATOM 51 2HB GLU A 3 5.789 1.990 -4.552 1.00 0.00 H ATOM 52 1HG GLU A 3 7.651 1.590 -3.024 1.00 0.00 H ATOM 53 2HG GLU A 3 6.595 0.676 -1.948 1.00 0.00 H ATOM 54 N GLU A 4 2.938 3.444 -3.419 1.00 0.00 N ATOM 55 CA GLU A 4 1.893 4.182 -4.119 1.00 0.00 C ATOM 56 C GLU A 4 1.518 5.453 -3.367 1.00 0.00 C ATOM 57 O GLU A 4 1.172 6.466 -3.975 1.00 0.00 O ATOM 58 CB GLU A 4 0.654 3.303 -4.305 1.00 0.00 C ATOM 59 CG GLU A 4 0.847 2.138 -5.264 1.00 0.00 C ATOM 60 CD GLU A 4 -0.404 1.328 -5.460 1.00 0.00 C ATOM 61 OE1 GLU A 4 -1.348 1.543 -4.739 1.00 0.00 O ATOM 62 OE2 GLU A 4 -0.416 0.492 -6.333 1.00 0.00 O ATOM 63 H GLU A 4 2.684 2.642 -2.861 1.00 0.00 H ATOM 64 HA GLU A 4 2.269 4.467 -5.102 1.00 0.00 H ATOM 65 1HB GLU A 4 0.349 2.896 -3.341 1.00 0.00 H ATOM 66 2HB GLU A 4 -0.170 3.911 -4.678 1.00 0.00 H ATOM 67 1HG GLU A 4 1.170 2.526 -6.230 1.00 0.00 H ATOM 68 2HG GLU A 4 1.636 1.492 -4.881 1.00 0.00 H ATOM 69 N ILE A 5 1.590 5.393 -2.042 1.00 0.00 N ATOM 70 CA ILE A 5 1.331 6.561 -1.207 1.00 0.00 C ATOM 71 C ILE A 5 2.361 7.655 -1.455 1.00 0.00 C ATOM 72 O ILE A 5 2.025 8.837 -1.508 1.00 0.00 O ATOM 73 CB ILE A 5 1.335 6.181 0.285 1.00 0.00 C ATOM 74 CG1 ILE A 5 0.139 5.282 0.610 1.00 0.00 C ATOM 75 CG2 ILE A 5 1.316 7.430 1.152 1.00 0.00 C ATOM 76 CD1 ILE A 5 0.214 4.636 1.975 1.00 0.00 C ATOM 77 H ILE A 5 1.831 4.517 -1.601 1.00 0.00 H ATOM 78 HA ILE A 5 0.342 6.949 -1.454 1.00 0.00 H ATOM 79 HB ILE A 5 2.232 5.606 0.512 1.00 0.00 H ATOM 80 1HG1 ILE A 5 -0.779 5.865 0.558 1.00 0.00 H ATOM 81 2HG1 ILE A 5 0.066 4.491 -0.137 1.00 0.00 H ATOM 82 1HG2 ILE A 5 1.318 7.144 2.204 1.00 0.00 H ATOM 83 2HG2 ILE A 5 2.197 8.034 0.939 1.00 0.00 H ATOM 84 3HG2 ILE A 5 0.418 8.010 0.936 1.00 0.00 H ATOM 85 1HD1 ILE A 5 -0.668 4.014 2.132 1.00 0.00 H ATOM 86 2HD1 ILE A 5 1.110 4.017 2.036 1.00 0.00 H ATOM 87 3HD1 ILE A 5 0.253 5.409 2.741 1.00 0.00 H ATOM 88 N ILE A 6 3.619 7.254 -1.607 1.00 0.00 N ATOM 89 CA ILE A 6 4.697 8.196 -1.878 1.00 0.00 C ATOM 90 C ILE A 6 4.474 8.924 -3.196 1.00 0.00 C ATOM 91 O ILE A 6 4.591 10.147 -3.270 1.00 0.00 O ATOM 92 CB ILE A 6 6.059 7.479 -1.910 1.00 0.00 C ATOM 93 CG1 ILE A 6 6.431 6.976 -0.513 1.00 0.00 C ATOM 94 CG2 ILE A 6 7.136 8.407 -2.449 1.00 0.00 C ATOM 95 CD1 ILE A 6 7.550 5.960 -0.508 1.00 0.00 C ATOM 96 H ILE A 6 3.834 6.269 -1.532 1.00 0.00 H ATOM 97 HA ILE A 6 4.724 8.932 -1.073 1.00 0.00 H ATOM 98 HB ILE A 6 5.993 6.602 -2.554 1.00 0.00 H ATOM 99 1HG1 ILE A 6 6.731 7.818 0.109 1.00 0.00 H ATOM 100 2HG1 ILE A 6 5.557 6.521 -0.046 1.00 0.00 H ATOM 101 1HG2 ILE A 6 8.092 7.884 -2.465 1.00 0.00 H ATOM 102 2HG2 ILE A 6 6.876 8.718 -3.460 1.00 0.00 H ATOM 103 3HG2 ILE A 6 7.214 9.286 -1.809 1.00 0.00 H ATOM 104 1HD1 ILE A 6 7.756 5.651 0.517 1.00 0.00 H ATOM 105 2HD1 ILE A 6 7.256 5.091 -1.097 1.00 0.00 H ATOM 106 3HD1 ILE A 6 8.446 6.404 -0.939 1.00 0.00 H ATOM 107 N GLU A 7 4.153 8.164 -4.239 1.00 0.00 N ATOM 108 CA GLU A 7 3.883 8.738 -5.551 1.00 0.00 C ATOM 109 C GLU A 7 2.673 9.663 -5.509 1.00 0.00 C ATOM 110 O GLU A 7 2.649 10.700 -6.172 1.00 0.00 O ATOM 111 CB GLU A 7 3.654 7.630 -6.581 1.00 0.00 C ATOM 112 CG GLU A 7 4.908 6.853 -6.957 1.00 0.00 C ATOM 113 CD GLU A 7 4.653 5.801 -8.000 1.00 0.00 C ATOM 114 OE1 GLU A 7 3.512 5.584 -8.331 1.00 0.00 O ATOM 115 OE2 GLU A 7 5.601 5.214 -8.467 1.00 0.00 O ATOM 116 H GLU A 7 4.095 7.162 -4.117 1.00 0.00 H ATOM 117 HA GLU A 7 4.754 9.315 -5.863 1.00 0.00 H ATOM 118 1HB GLU A 7 2.923 6.919 -6.195 1.00 0.00 H ATOM 119 2HB GLU A 7 3.242 8.061 -7.493 1.00 0.00 H ATOM 120 1HG GLU A 7 5.655 7.550 -7.335 1.00 0.00 H ATOM 121 2HG GLU A 7 5.311 6.380 -6.062 1.00 0.00 H ATOM 122 N HIS A 8 1.670 9.282 -4.726 1.00 0.00 N ATOM 123 CA HIS A 8 0.478 10.103 -4.553 1.00 0.00 C ATOM 124 C HIS A 8 0.832 11.480 -4.003 1.00 0.00 C ATOM 125 O HIS A 8 0.433 12.503 -4.560 1.00 0.00 O ATOM 126 CB HIS A 8 -0.522 9.416 -3.617 1.00 0.00 C ATOM 127 CG HIS A 8 -1.801 10.173 -3.442 1.00 0.00 C ATOM 128 ND1 HIS A 8 -2.820 10.137 -4.371 1.00 0.00 N ATOM 129 CD2 HIS A 8 -2.227 10.987 -2.448 1.00 0.00 C ATOM 130 CE1 HIS A 8 -3.818 10.896 -3.954 1.00 0.00 C ATOM 131 NE2 HIS A 8 -3.483 11.422 -2.791 1.00 0.00 N ATOM 132 H HIS A 8 1.734 8.400 -4.237 1.00 0.00 H ATOM 133 HA HIS A 8 -0.001 10.228 -5.526 1.00 0.00 H ATOM 134 1HB HIS A 8 -0.762 8.425 -4.006 1.00 0.00 H ATOM 135 2HB HIS A 8 -0.068 9.281 -2.636 1.00 0.00 H ATOM 136 HD1 HIS A 8 -2.851 9.566 -5.192 1.00 0.00 H ATOM 137 HD2 HIS A 8 -1.771 11.315 -1.513 1.00 0.00 H ATOM 138 HE1 HIS A 8 -4.724 10.999 -4.552 1.00 0.00 H ATOM 139 N ALA A 9 1.583 11.498 -2.908 1.00 0.00 N ATOM 140 CA ALA A 9 1.964 12.747 -2.260 1.00 0.00 C ATOM 141 C ALA A 9 2.777 13.629 -3.197 1.00 0.00 C ATOM 142 O ALA A 9 2.594 14.846 -3.236 1.00 0.00 O ATOM 143 CB ALA A 9 2.747 12.467 -0.985 1.00 0.00 C ATOM 144 H ALA A 9 1.900 10.623 -2.514 1.00 0.00 H ATOM 145 HA ALA A 9 1.054 13.281 -1.979 1.00 0.00 H ATOM 146 1HB ALA A 9 3.023 13.410 -0.513 1.00 0.00 H ATOM 147 2HB ALA A 9 2.130 11.885 -0.300 1.00 0.00 H ATOM 148 3HB ALA A 9 3.647 11.905 -1.228 1.00 0.00 H ATOM 149 N LYS A 10 3.676 13.008 -3.953 1.00 0.00 N ATOM 150 CA LYS A 10 4.563 13.742 -4.849 1.00 0.00 C ATOM 151 C LYS A 10 3.781 14.401 -5.979 1.00 0.00 C ATOM 152 O LYS A 10 4.008 15.565 -6.307 1.00 0.00 O ATOM 153 CB LYS A 10 5.633 12.812 -5.422 1.00 0.00 C ATOM 154 CG LYS A 10 6.720 12.417 -4.431 1.00 0.00 C ATOM 155 CD LYS A 10 7.610 11.320 -4.995 1.00 0.00 C ATOM 156 CE LYS A 10 8.482 11.840 -6.127 1.00 0.00 C ATOM 157 NZ LYS A 10 9.455 10.816 -6.596 1.00 0.00 N ATOM 158 H LYS A 10 3.748 12.002 -3.905 1.00 0.00 H ATOM 159 HA LYS A 10 5.070 14.518 -4.276 1.00 0.00 H ATOM 160 1HB LYS A 10 5.164 11.898 -5.786 1.00 0.00 H ATOM 161 2HB LYS A 10 6.116 13.294 -6.273 1.00 0.00 H ATOM 162 1HG LYS A 10 7.335 13.288 -4.199 1.00 0.00 H ATOM 163 2HG LYS A 10 6.260 12.063 -3.509 1.00 0.00 H ATOM 164 1HD LYS A 10 8.251 10.928 -4.203 1.00 0.00 H ATOM 165 2HD LYS A 10 6.990 10.506 -5.371 1.00 0.00 H ATOM 166 1HE LYS A 10 7.852 12.135 -6.965 1.00 0.00 H ATOM 167 2HE LYS A 10 9.033 12.717 -5.789 1.00 0.00 H ATOM 168 1HZ LYS A 10 10.013 11.199 -7.346 1.00 0.00 H ATOM 169 2HZ LYS A 10 10.058 10.548 -5.831 1.00 0.00 H ATOM 170 3HZ LYS A 10 8.955 10.004 -6.931 1.00 0.00 H ATOM 171 N LYS A 11 2.858 13.649 -6.570 1.00 0.00 N ATOM 172 CA LYS A 11 2.078 14.140 -7.700 1.00 0.00 C ATOM 173 C LYS A 11 1.229 15.340 -7.303 1.00 0.00 C ATOM 174 O LYS A 11 1.056 16.276 -8.082 1.00 0.00 O ATOM 175 CB LYS A 11 1.189 13.029 -8.261 1.00 0.00 C ATOM 176 CG LYS A 11 1.939 11.958 -9.042 1.00 0.00 C ATOM 177 CD LYS A 11 0.996 10.866 -9.526 1.00 0.00 C ATOM 178 CE LYS A 11 1.742 9.798 -10.312 1.00 0.00 C ATOM 179 NZ LYS A 11 0.831 8.726 -10.797 1.00 0.00 N ATOM 180 H LYS A 11 2.692 12.714 -6.228 1.00 0.00 H ATOM 181 HA LYS A 11 2.767 14.445 -8.489 1.00 0.00 H ATOM 182 1HB LYS A 11 0.661 12.539 -7.443 1.00 0.00 H ATOM 183 2HB LYS A 11 0.439 13.463 -8.922 1.00 0.00 H ATOM 184 1HG LYS A 11 2.428 12.412 -9.904 1.00 0.00 H ATOM 185 2HG LYS A 11 2.702 11.511 -8.406 1.00 0.00 H ATOM 186 1HD LYS A 11 0.508 10.400 -8.669 1.00 0.00 H ATOM 187 2HD LYS A 11 0.229 11.304 -10.165 1.00 0.00 H ATOM 188 1HE LYS A 11 2.235 10.255 -11.169 1.00 0.00 H ATOM 189 2HE LYS A 11 2.507 9.348 -9.679 1.00 0.00 H ATOM 190 1HZ LYS A 11 1.364 8.039 -11.312 1.00 0.00 H ATOM 191 2HZ LYS A 11 0.383 8.282 -10.008 1.00 0.00 H ATOM 192 3HZ LYS A 11 0.129 9.128 -11.401 1.00 0.00 H ATOM 193 N ARG A 12 0.701 15.307 -6.084 1.00 0.00 N ATOM 194 CA ARG A 12 -0.184 16.362 -5.603 1.00 0.00 C ATOM 195 C ARG A 12 0.605 17.474 -4.923 1.00 0.00 C ATOM 196 O ARG A 12 0.033 18.466 -4.471 1.00 0.00 O ATOM 197 CB ARG A 12 -1.206 15.799 -4.626 1.00 0.00 C ATOM 198 CG ARG A 12 -2.233 14.863 -5.244 1.00 0.00 C ATOM 199 CD ARG A 12 -3.184 14.344 -4.229 1.00 0.00 C ATOM 200 NE ARG A 12 -4.004 15.403 -3.662 1.00 0.00 N ATOM 201 CZ ARG A 12 -4.800 15.261 -2.584 1.00 0.00 C ATOM 202 NH1 ARG A 12 -4.872 14.101 -1.969 1.00 0.00 N ATOM 203 NH2 ARG A 12 -5.507 16.287 -2.145 1.00 0.00 N ATOM 204 H ARG A 12 0.916 14.531 -5.475 1.00 0.00 H ATOM 205 HA ARG A 12 -0.716 16.783 -6.457 1.00 0.00 H ATOM 206 1HB ARG A 12 -0.693 15.250 -3.838 1.00 0.00 H ATOM 207 2HB ARG A 12 -1.749 16.618 -4.155 1.00 0.00 H ATOM 208 1HG ARG A 12 -2.802 15.398 -6.005 1.00 0.00 H ATOM 209 2HG ARG A 12 -1.723 14.014 -5.702 1.00 0.00 H ATOM 210 1HD ARG A 12 -3.846 13.611 -4.691 1.00 0.00 H ATOM 211 2HD ARG A 12 -2.630 13.872 -3.419 1.00 0.00 H ATOM 212 HE ARG A 12 -3.975 16.310 -4.108 1.00 0.00 H ATOM 213 1HH1 ARG A 12 -4.331 13.317 -2.305 1.00 0.00 H ATOM 214 2HH1 ARG A 12 -5.469 13.994 -1.161 1.00 0.00 H ATOM 215 1HH2 ARG A 12 -5.452 17.179 -2.618 1.00 0.00 H ATOM 216 2HH2 ARG A 12 -6.103 16.180 -1.338 1.00 0.00 H ATOM 217 N ASN A 13 1.920 17.303 -4.855 1.00 0.00 N ATOM 218 CA ASN A 13 2.780 18.242 -4.145 1.00 0.00 C ATOM 219 C ASN A 13 2.276 18.488 -2.729 1.00 0.00 C ATOM 220 O ASN A 13 2.233 19.627 -2.264 1.00 0.00 O ATOM 221 CB ASN A 13 2.887 19.550 -4.908 1.00 0.00 C ATOM 222 CG ASN A 13 3.572 19.389 -6.236 1.00 0.00 C ATOM 223 OD1 ASN A 13 4.620 18.739 -6.334 1.00 0.00 O ATOM 224 ND2 ASN A 13 3.002 19.968 -7.262 1.00 0.00 N ATOM 225 H ASN A 13 2.336 16.500 -5.305 1.00 0.00 H ATOM 226 HA ASN A 13 3.776 17.805 -4.062 1.00 0.00 H ATOM 227 1HB ASN A 13 1.889 19.957 -5.074 1.00 0.00 H ATOM 228 2HB ASN A 13 3.441 20.275 -4.312 1.00 0.00 H ATOM 229 1HD2 ASN A 13 3.414 19.895 -8.171 1.00 0.00 H ATOM 230 2HD2 ASN A 13 2.155 20.484 -7.137 1.00 0.00 H ATOM 231 N THR A 14 1.894 17.414 -2.046 1.00 0.00 N ATOM 232 CA THR A 14 1.367 17.514 -0.690 1.00 0.00 C ATOM 233 C THR A 14 2.225 16.730 0.293 1.00 0.00 C ATOM 234 O THR A 14 3.229 16.128 -0.088 1.00 0.00 O ATOM 235 CB THR A 14 -0.087 17.012 -0.622 1.00 0.00 C ATOM 236 OG1 THR A 14 -0.644 17.326 0.661 1.00 0.00 O ATOM 237 CG2 THR A 14 -0.143 15.508 -0.841 1.00 0.00 C ATOM 238 H THR A 14 1.971 16.505 -2.478 1.00 0.00 H ATOM 239 HA THR A 14 1.368 18.564 -0.396 1.00 0.00 H ATOM 240 HB THR A 14 -0.679 17.508 -1.391 1.00 0.00 H ATOM 241 HG1 THR A 14 -1.601 17.257 0.619 1.00 0.00 H ATOM 242 1HG2 THR A 14 -1.178 15.171 -0.790 1.00 0.00 H ATOM 243 2HG2 THR A 14 0.269 15.267 -1.821 1.00 0.00 H ATOM 244 3HG2 THR A 14 0.439 15.006 -0.069 1.00 0.00 H ATOM 245 N ARG A 15 1.824 16.740 1.560 1.00 0.00 N ATOM 246 CA ARG A 15 2.605 16.109 2.617 1.00 0.00 C ATOM 247 C ARG A 15 1.790 15.051 3.348 1.00 0.00 C ATOM 248 O ARG A 15 0.626 15.272 3.683 1.00 0.00 O ATOM 249 CB ARG A 15 3.094 17.148 3.615 1.00 0.00 C ATOM 250 CG ARG A 15 3.831 16.582 4.818 1.00 0.00 C ATOM 251 CD ARG A 15 4.335 17.658 5.709 1.00 0.00 C ATOM 252 NE ARG A 15 5.487 18.339 5.139 1.00 0.00 N ATOM 253 CZ ARG A 15 6.220 19.270 5.780 1.00 0.00 C ATOM 254 NH1 ARG A 15 5.910 19.618 7.009 1.00 0.00 N ATOM 255 NH2 ARG A 15 7.251 19.832 5.173 1.00 0.00 N ATOM 256 H ARG A 15 0.955 17.197 1.797 1.00 0.00 H ATOM 257 HA ARG A 15 3.474 15.629 2.164 1.00 0.00 H ATOM 258 1HB ARG A 15 3.765 17.845 3.115 1.00 0.00 H ATOM 259 2HB ARG A 15 2.245 17.722 3.987 1.00 0.00 H ATOM 260 1HG ARG A 15 3.155 15.949 5.394 1.00 0.00 H ATOM 261 2HG ARG A 15 4.682 15.991 4.479 1.00 0.00 H ATOM 262 1HD ARG A 15 3.549 18.395 5.871 1.00 0.00 H ATOM 263 2HD ARG A 15 4.633 17.229 6.665 1.00 0.00 H ATOM 264 HE ARG A 15 5.756 18.097 4.194 1.00 0.00 H ATOM 265 1HH1 ARG A 15 5.123 19.189 7.473 1.00 0.00 H ATOM 266 2HH1 ARG A 15 6.460 20.316 7.490 1.00 0.00 H ATOM 267 1HH2 ARG A 15 7.489 19.564 4.228 1.00 0.00 H ATOM 268 2HH2 ARG A 15 7.800 20.529 5.654 1.00 0.00 H ATOM 269 N ILE A 16 2.407 13.900 3.594 1.00 0.00 N ATOM 270 CA ILE A 16 1.790 12.857 4.404 1.00 0.00 C ATOM 271 C ILE A 16 2.661 12.500 5.601 1.00 0.00 C ATOM 272 O ILE A 16 3.846 12.202 5.451 1.00 0.00 O ATOM 273 CB ILE A 16 1.527 11.593 3.566 1.00 0.00 C ATOM 274 CG1 ILE A 16 0.563 11.905 2.418 1.00 0.00 C ATOM 275 CG2 ILE A 16 0.975 10.479 4.441 1.00 0.00 C ATOM 276 CD1 ILE A 16 0.349 10.748 1.469 1.00 0.00 C ATOM 277 H ILE A 16 3.329 13.744 3.211 1.00 0.00 H ATOM 278 HA ILE A 16 0.830 13.224 4.768 1.00 0.00 H ATOM 279 HB ILE A 16 2.459 11.257 3.111 1.00 0.00 H ATOM 280 1HG1 ILE A 16 -0.405 12.196 2.825 1.00 0.00 H ATOM 281 2HG1 ILE A 16 0.942 12.750 1.844 1.00 0.00 H ATOM 282 1HG2 ILE A 16 0.794 9.593 3.832 1.00 0.00 H ATOM 283 2HG2 ILE A 16 1.695 10.240 5.223 1.00 0.00 H ATOM 284 3HG2 ILE A 16 0.039 10.803 4.896 1.00 0.00 H ATOM 285 1HD1 ILE A 16 -0.346 11.046 0.683 1.00 0.00 H ATOM 286 2HD1 ILE A 16 1.302 10.463 1.022 1.00 0.00 H ATOM 287 3HD1 ILE A 16 -0.064 9.901 2.015 1.00 0.00 H ATOM 288 N VAL A 17 2.068 12.532 6.789 1.00 0.00 N ATOM 289 CA VAL A 17 2.801 12.256 8.019 1.00 0.00 C ATOM 290 C VAL A 17 2.247 11.026 8.726 1.00 0.00 C ATOM 291 O VAL A 17 1.047 10.931 8.980 1.00 0.00 O ATOM 292 CB VAL A 17 2.727 13.466 8.969 1.00 0.00 C ATOM 293 CG1 VAL A 17 3.498 13.186 10.250 1.00 0.00 C ATOM 294 CG2 VAL A 17 3.270 14.705 8.272 1.00 0.00 C ATOM 295 H VAL A 17 1.085 12.753 6.842 1.00 0.00 H ATOM 296 HA VAL A 17 3.847 12.073 7.766 1.00 0.00 H ATOM 297 HB VAL A 17 1.687 13.633 9.249 1.00 0.00 H ATOM 298 1HG1 VAL A 17 3.435 14.052 10.910 1.00 0.00 H ATOM 299 2HG1 VAL A 17 3.069 12.318 10.750 1.00 0.00 H ATOM 300 3HG1 VAL A 17 4.543 12.989 10.011 1.00 0.00 H ATOM 301 1HG2 VAL A 17 3.214 15.557 8.949 1.00 0.00 H ATOM 302 2HG2 VAL A 17 4.309 14.535 7.987 1.00 0.00 H ATOM 303 3HG2 VAL A 17 2.678 14.910 7.381 1.00 0.00 H ATOM 304 N HIS A 18 3.129 10.083 9.041 1.00 0.00 N ATOM 305 CA HIS A 18 2.731 8.856 9.721 1.00 0.00 C ATOM 306 C HIS A 18 3.896 8.252 10.495 1.00 0.00 C ATOM 307 O HIS A 18 5.040 8.289 10.042 1.00 0.00 O ATOM 308 CB HIS A 18 2.190 7.832 8.718 1.00 0.00 C ATOM 309 CG HIS A 18 1.558 6.637 9.360 1.00 0.00 C ATOM 310 ND1 HIS A 18 0.292 6.669 9.907 1.00 0.00 N ATOM 311 CD2 HIS A 18 2.016 5.376 9.543 1.00 0.00 C ATOM 312 CE1 HIS A 18 -0.001 5.477 10.399 1.00 0.00 C ATOM 313 NE2 HIS A 18 1.028 4.676 10.191 1.00 0.00 N ATOM 314 H HIS A 18 4.101 10.220 8.804 1.00 0.00 H ATOM 315 HA HIS A 18 1.931 9.094 10.423 1.00 0.00 H ATOM 316 1HB HIS A 18 1.447 8.308 8.076 1.00 0.00 H ATOM 317 2HB HIS A 18 3.002 7.487 8.078 1.00 0.00 H ATOM 318 HD2 HIS A 18 2.987 4.989 9.235 1.00 0.00 H ATOM 319 HE1 HIS A 18 -0.934 5.203 10.891 1.00 0.00 H ATOM 320 HE2 HIS A 18 1.085 3.705 10.462 1.00 0.00 H ATOM 321 N THR A 19 3.597 7.693 11.663 1.00 0.00 N ATOM 322 CA THR A 19 4.605 7.012 12.465 1.00 0.00 C ATOM 323 C THR A 19 4.826 5.586 11.977 1.00 0.00 C ATOM 324 O THR A 19 3.888 4.791 11.905 1.00 0.00 O ATOM 325 CB THR A 19 4.209 6.993 13.953 1.00 0.00 C ATOM 326 OG1 THR A 19 4.050 8.338 14.425 1.00 0.00 O ATOM 327 CG2 THR A 19 5.275 6.292 14.780 1.00 0.00 C ATOM 328 H THR A 19 2.648 7.742 12.003 1.00 0.00 H ATOM 329 HA THR A 19 5.544 7.560 12.381 1.00 0.00 H ATOM 330 HB THR A 19 3.261 6.467 14.071 1.00 0.00 H ATOM 331 HG1 THR A 19 3.547 8.332 15.243 1.00 0.00 H ATOM 332 1HG2 THR A 19 4.978 6.288 15.829 1.00 0.00 H ATOM 333 2HG2 THR A 19 5.390 5.266 14.432 1.00 0.00 H ATOM 334 3HG2 THR A 19 6.222 6.820 14.674 1.00 0.00 H ATOM 335 N ILE A 20 6.072 5.267 11.642 1.00 0.00 N ATOM 336 CA ILE A 20 6.422 3.931 11.176 1.00 0.00 C ATOM 337 C ILE A 20 7.484 3.297 12.065 1.00 0.00 C ATOM 338 O ILE A 20 8.645 3.706 12.048 1.00 0.00 O ATOM 339 CB ILE A 20 6.926 3.971 9.722 1.00 0.00 C ATOM 340 CG1 ILE A 20 5.852 4.554 8.800 1.00 0.00 C ATOM 341 CG2 ILE A 20 7.330 2.579 9.260 1.00 0.00 C ATOM 342 CD1 ILE A 20 6.331 4.810 7.389 1.00 0.00 C ATOM 343 H ILE A 20 6.795 5.969 11.714 1.00 0.00 H ATOM 344 HA ILE A 20 5.526 3.310 11.203 1.00 0.00 H ATOM 345 HB ILE A 20 7.791 4.631 9.655 1.00 0.00 H ATOM 346 1HG1 ILE A 20 5.003 3.873 8.754 1.00 0.00 H ATOM 347 2HG1 ILE A 20 5.491 5.497 9.212 1.00 0.00 H ATOM 348 1HG2 ILE A 20 7.683 2.626 8.230 1.00 0.00 H ATOM 349 2HG2 ILE A 20 8.126 2.200 9.900 1.00 0.00 H ATOM 350 3HG2 ILE A 20 6.469 1.913 9.319 1.00 0.00 H ATOM 351 1HD1 ILE A 20 5.514 5.223 6.797 1.00 0.00 H ATOM 352 2HD1 ILE A 20 7.160 5.518 7.409 1.00 0.00 H ATOM 353 3HD1 ILE A 20 6.664 3.873 6.943 1.00 0.00 H ATOM 354 N GLY A 21 7.079 2.297 12.839 1.00 0.00 N ATOM 355 CA GLY A 21 7.914 1.776 13.917 1.00 0.00 C ATOM 356 C GLY A 21 8.088 2.806 15.025 1.00 0.00 C ATOM 357 O GLY A 21 7.110 3.291 15.594 1.00 0.00 O ATOM 358 H GLY A 21 6.171 1.885 12.678 1.00 0.00 H ATOM 359 1HA GLY A 21 7.461 0.872 14.323 1.00 0.00 H ATOM 360 2HA GLY A 21 8.889 1.496 13.519 1.00 0.00 H ATOM 361 N ASP A 22 9.338 3.138 15.326 1.00 0.00 N ATOM 362 CA ASP A 22 9.644 4.100 16.378 1.00 0.00 C ATOM 363 C ASP A 22 10.190 5.398 15.796 1.00 0.00 C ATOM 364 O ASP A 22 10.789 6.205 16.508 1.00 0.00 O ATOM 365 CB ASP A 22 10.656 3.512 17.365 1.00 0.00 C ATOM 366 CG ASP A 22 11.947 3.063 16.694 1.00 0.00 C ATOM 367 OD1 ASP A 22 11.973 2.992 15.488 1.00 0.00 O ATOM 368 OD2 ASP A 22 12.895 2.797 17.394 1.00 0.00 O ATOM 369 H ASP A 22 10.098 2.712 14.813 1.00 0.00 H ATOM 370 HA ASP A 22 8.726 4.320 16.923 1.00 0.00 H ATOM 371 1HB ASP A 22 10.897 4.255 18.125 1.00 0.00 H ATOM 372 2HB ASP A 22 10.212 2.656 17.874 1.00 0.00 H ATOM 373 N ILE A 23 9.978 5.593 14.499 1.00 0.00 N ATOM 374 CA ILE A 23 10.415 6.811 13.827 1.00 0.00 C ATOM 375 C ILE A 23 9.256 7.489 13.107 1.00 0.00 C ATOM 376 O ILE A 23 8.454 6.831 12.445 1.00 0.00 O ATOM 377 CB ILE A 23 11.541 6.511 12.821 1.00 0.00 C ATOM 378 CG1 ILE A 23 12.021 7.803 12.155 1.00 0.00 C ATOM 379 CG2 ILE A 23 11.066 5.514 11.774 1.00 0.00 C ATOM 380 CD1 ILE A 23 13.316 7.651 11.390 1.00 0.00 C ATOM 381 H ILE A 23 9.503 4.880 13.965 1.00 0.00 H ATOM 382 HA ILE A 23 10.811 7.497 14.577 1.00 0.00 H ATOM 383 HB ILE A 23 12.397 6.091 13.347 1.00 0.00 H ATOM 384 1HG1 ILE A 23 11.257 8.163 11.467 1.00 0.00 H ATOM 385 2HG1 ILE A 23 12.163 8.573 12.915 1.00 0.00 H ATOM 386 1HG2 ILE A 23 11.874 5.314 11.071 1.00 0.00 H ATOM 387 2HG2 ILE A 23 10.772 4.586 12.263 1.00 0.00 H ATOM 388 3HG2 ILE A 23 10.212 5.929 11.238 1.00 0.00 H ATOM 389 1HD1 ILE A 23 13.592 8.609 10.948 1.00 0.00 H ATOM 390 2HD1 ILE A 23 14.104 7.325 12.069 1.00 0.00 H ATOM 391 3HD1 ILE A 23 13.187 6.912 10.601 1.00 0.00 H ATOM 392 N THR A 24 9.175 8.808 13.242 1.00 0.00 N ATOM 393 CA THR A 24 8.177 9.592 12.520 1.00 0.00 C ATOM 394 C THR A 24 8.641 9.898 11.101 1.00 0.00 C ATOM 395 O THR A 24 9.715 10.464 10.898 1.00 0.00 O ATOM 396 CB THR A 24 7.865 10.907 13.257 1.00 0.00 C ATOM 397 OG1 THR A 24 7.363 10.616 14.568 1.00 0.00 O ATOM 398 CG2 THR A 24 6.830 11.716 12.490 1.00 0.00 C ATOM 399 H THR A 24 9.818 9.282 13.859 1.00 0.00 H ATOM 400 HA THR A 24 7.254 9.014 12.470 1.00 0.00 H ATOM 401 HB THR A 24 8.777 11.495 13.354 1.00 0.00 H ATOM 402 HG1 THR A 24 7.380 11.414 15.101 1.00 0.00 H ATOM 403 1HG2 THR A 24 6.622 12.642 13.026 1.00 0.00 H ATOM 404 2HG2 THR A 24 7.213 11.949 11.497 1.00 0.00 H ATOM 405 3HG2 THR A 24 5.912 11.136 12.398 1.00 0.00 H ATOM 406 N ILE A 25 7.823 9.522 10.124 1.00 0.00 N ATOM 407 CA ILE A 25 8.197 9.652 8.720 1.00 0.00 C ATOM 408 C ILE A 25 7.282 10.631 7.995 1.00 0.00 C ATOM 409 O ILE A 25 6.059 10.515 8.060 1.00 0.00 O ATOM 410 CB ILE A 25 8.153 8.286 8.011 1.00 0.00 C ATOM 411 CG1 ILE A 25 9.107 7.300 8.691 1.00 0.00 C ATOM 412 CG2 ILE A 25 8.503 8.440 6.539 1.00 0.00 C ATOM 413 CD1 ILE A 25 10.552 7.742 8.679 1.00 0.00 C ATOM 414 H ILE A 25 6.921 9.135 10.359 1.00 0.00 H ATOM 415 HA ILE A 25 9.221 10.026 8.668 1.00 0.00 H ATOM 416 HB ILE A 25 7.152 7.865 8.095 1.00 0.00 H ATOM 417 1HG1 ILE A 25 8.803 7.156 9.727 1.00 0.00 H ATOM 418 2HG1 ILE A 25 9.043 6.331 8.195 1.00 0.00 H ATOM 419 1HG2 ILE A 25 8.467 7.465 6.053 1.00 0.00 H ATOM 420 2HG2 ILE A 25 7.786 9.108 6.063 1.00 0.00 H ATOM 421 3HG2 ILE A 25 9.506 8.856 6.444 1.00 0.00 H ATOM 422 1HD1 ILE A 25 11.166 6.992 9.178 1.00 0.00 H ATOM 423 2HD1 ILE A 25 10.889 7.859 7.648 1.00 0.00 H ATOM 424 3HD1 ILE A 25 10.646 8.693 9.201 1.00 0.00 H ATOM 425 N ILE A 26 7.883 11.595 7.305 1.00 0.00 N ATOM 426 CA ILE A 26 7.127 12.544 6.497 1.00 0.00 C ATOM 427 C ILE A 26 7.447 12.384 5.017 1.00 0.00 C ATOM 428 O ILE A 26 8.612 12.362 4.622 1.00 0.00 O ATOM 429 CB ILE A 26 7.419 13.991 6.933 1.00 0.00 C ATOM 430 CG1 ILE A 26 7.051 14.190 8.406 1.00 0.00 C ATOM 431 CG2 ILE A 26 6.661 14.975 6.054 1.00 0.00 C ATOM 432 CD1 ILE A 26 8.220 14.044 9.352 1.00 0.00 C ATOM 433 H ILE A 26 8.889 11.671 7.342 1.00 0.00 H ATOM 434 HA ILE A 26 6.062 12.356 6.648 1.00 0.00 H ATOM 435 HB ILE A 26 8.487 14.189 6.846 1.00 0.00 H ATOM 436 1HG1 ILE A 26 6.623 15.182 8.543 1.00 0.00 H ATOM 437 2HG1 ILE A 26 6.289 13.464 8.692 1.00 0.00 H ATOM 438 1HG2 ILE A 26 6.879 15.993 6.376 1.00 0.00 H ATOM 439 2HG2 ILE A 26 6.971 14.848 5.017 1.00 0.00 H ATOM 440 3HG2 ILE A 26 5.591 14.788 6.139 1.00 0.00 H ATOM 441 1HD1 ILE A 26 7.880 14.198 10.377 1.00 0.00 H ATOM 442 2HD1 ILE A 26 8.643 13.043 9.257 1.00 0.00 H ATOM 443 3HD1 ILE A 26 8.981 14.784 9.108 1.00 0.00 H ATOM 444 N ILE A 27 6.404 12.273 4.200 1.00 0.00 N ATOM 445 CA ILE A 27 6.570 12.173 2.755 1.00 0.00 C ATOM 446 C ILE A 27 6.493 13.544 2.095 1.00 0.00 C ATOM 447 O ILE A 27 5.448 14.193 2.112 1.00 0.00 O ATOM 448 CB ILE A 27 5.504 11.247 2.143 1.00 0.00 C ATOM 449 CG1 ILE A 27 5.627 9.835 2.722 1.00 0.00 C ATOM 450 CG2 ILE A 27 5.633 11.216 0.627 1.00 0.00 C ATOM 451 CD1 ILE A 27 4.484 8.920 2.347 1.00 0.00 C ATOM 452 H ILE A 27 5.473 12.258 4.591 1.00 0.00 H ATOM 453 HA ILE A 27 7.550 11.741 2.549 1.00 0.00 H ATOM 454 HB ILE A 27 4.512 11.611 2.406 1.00 0.00 H ATOM 455 1HG1 ILE A 27 6.556 9.381 2.380 1.00 0.00 H ATOM 456 2HG1 ILE A 27 5.673 9.892 3.810 1.00 0.00 H ATOM 457 1HG2 ILE A 27 4.873 10.556 0.211 1.00 0.00 H ATOM 458 2HG2 ILE A 27 5.498 12.222 0.231 1.00 0.00 H ATOM 459 3HG2 ILE A 27 6.622 10.848 0.354 1.00 0.00 H ATOM 460 1HD1 ILE A 27 4.642 7.938 2.795 1.00 0.00 H ATOM 461 2HD1 ILE A 27 3.546 9.339 2.712 1.00 0.00 H ATOM 462 3HD1 ILE A 27 4.440 8.820 1.263 1.00 0.00 H ATOM 463 N ASP A 28 7.605 13.979 1.515 1.00 0.00 N ATOM 464 CA ASP A 28 7.685 15.301 0.903 1.00 0.00 C ATOM 465 C ASP A 28 8.813 15.369 -0.118 1.00 0.00 C ATOM 466 O ASP A 28 9.522 14.387 -0.341 1.00 0.00 O ATOM 467 CB ASP A 28 7.892 16.375 1.974 1.00 0.00 C ATOM 468 CG ASP A 28 7.285 17.718 1.590 1.00 0.00 C ATOM 469 OD1 ASP A 28 7.185 17.990 0.417 1.00 0.00 O ATOM 470 OD2 ASP A 28 6.928 18.460 2.474 1.00 0.00 O ATOM 471 H ASP A 28 8.418 13.379 1.495 1.00 0.00 H ATOM 472 HA ASP A 28 6.741 15.504 0.396 1.00 0.00 H ATOM 473 1HB ASP A 28 7.444 16.045 2.912 1.00 0.00 H ATOM 474 2HB ASP A 28 8.959 16.512 2.151 1.00 0.00 H ATOM 475 N HIS A 29 8.975 16.533 -0.735 1.00 0.00 N ATOM 476 CA HIS A 29 10.081 16.764 -1.658 1.00 0.00 C ATOM 477 C HIS A 29 11.382 17.017 -0.907 1.00 0.00 C ATOM 478 O HIS A 29 11.421 17.807 0.036 1.00 0.00 O ATOM 479 CB HIS A 29 9.778 17.950 -2.580 1.00 0.00 C ATOM 480 CG HIS A 29 8.663 17.693 -3.545 1.00 0.00 C ATOM 481 ND1 HIS A 29 8.720 16.701 -4.501 1.00 0.00 N ATOM 482 CD2 HIS A 29 7.463 18.299 -3.703 1.00 0.00 C ATOM 483 CE1 HIS A 29 7.601 16.707 -5.204 1.00 0.00 C ATOM 484 NE2 HIS A 29 6.823 17.667 -4.740 1.00 0.00 N ATOM 485 H HIS A 29 8.317 17.279 -0.562 1.00 0.00 H ATOM 486 HA HIS A 29 10.203 15.876 -2.281 1.00 0.00 H ATOM 487 1HB HIS A 29 9.515 18.821 -1.978 1.00 0.00 H ATOM 488 2HB HIS A 29 10.671 18.205 -3.151 1.00 0.00 H ATOM 489 HD2 HIS A 29 7.077 19.134 -3.116 1.00 0.00 H ATOM 490 HE1 HIS A 29 7.362 16.034 -6.027 1.00 0.00 H ATOM 491 HE2 HIS A 29 5.905 17.904 -5.088 1.00 0.00 H ATOM 492 N ASN A 30 12.444 16.341 -1.332 1.00 0.00 N ATOM 493 CA ASN A 30 13.779 16.602 -0.806 1.00 0.00 C ATOM 494 C ASN A 30 13.795 16.529 0.716 1.00 0.00 C ATOM 495 O ASN A 30 14.414 17.360 1.380 1.00 0.00 O ATOM 496 CB ASN A 30 14.285 17.952 -1.281 1.00 0.00 C ATOM 497 CG ASN A 30 14.399 18.032 -2.778 1.00 0.00 C ATOM 498 OD1 ASN A 30 14.815 17.070 -3.433 1.00 0.00 O ATOM 499 ND2 ASN A 30 14.038 19.162 -3.331 1.00 0.00 N ATOM 500 H ASN A 30 12.324 15.628 -2.037 1.00 0.00 H ATOM 501 HA ASN A 30 14.454 15.829 -1.174 1.00 0.00 H ATOM 502 1HB ASN A 30 13.609 18.736 -0.937 1.00 0.00 H ATOM 503 2HB ASN A 30 15.264 18.148 -0.842 1.00 0.00 H ATOM 504 1HD2 ASN A 30 14.092 19.272 -4.324 1.00 0.00 H ATOM 505 2HD2 ASN A 30 13.707 19.914 -2.762 1.00 0.00 H ATOM 506 N ILE A 31 13.111 15.529 1.262 1.00 0.00 N ATOM 507 CA ILE A 31 13.063 15.333 2.706 1.00 0.00 C ATOM 508 C ILE A 31 13.734 14.026 3.107 1.00 0.00 C ATOM 509 O ILE A 31 13.547 12.997 2.460 1.00 0.00 O ATOM 510 CB ILE A 31 11.609 15.341 3.214 1.00 0.00 C ATOM 511 CG1 ILE A 31 11.578 15.354 4.744 1.00 0.00 C ATOM 512 CG2 ILE A 31 10.851 14.138 2.673 1.00 0.00 C ATOM 513 CD1 ILE A 31 10.234 15.730 5.324 1.00 0.00 C ATOM 514 H ILE A 31 12.611 14.889 0.662 1.00 0.00 H ATOM 515 HA ILE A 31 13.590 16.158 3.185 1.00 0.00 H ATOM 516 HB ILE A 31 11.113 16.251 2.880 1.00 0.00 H ATOM 517 1HG1 ILE A 31 11.850 14.369 5.122 1.00 0.00 H ATOM 518 2HG1 ILE A 31 12.319 16.062 5.117 1.00 0.00 H ATOM 519 1HG2 ILE A 31 9.826 14.159 3.042 1.00 0.00 H ATOM 520 2HG2 ILE A 31 10.846 14.171 1.585 1.00 0.00 H ATOM 521 3HG2 ILE A 31 11.338 13.221 3.006 1.00 0.00 H ATOM 522 1HD1 ILE A 31 10.291 15.719 6.413 1.00 0.00 H ATOM 523 2HD1 ILE A 31 9.958 16.730 4.986 1.00 0.00 H ATOM 524 3HD1 ILE A 31 9.482 15.015 4.993 1.00 0.00 H ATOM 525 N HIS A 32 14.518 14.074 4.180 1.00 0.00 N ATOM 526 CA HIS A 32 15.320 12.930 4.594 1.00 0.00 C ATOM 527 C HIS A 32 14.440 11.793 5.097 1.00 0.00 C ATOM 528 O HIS A 32 14.831 10.626 5.054 1.00 0.00 O ATOM 529 CB HIS A 32 16.315 13.334 5.687 1.00 0.00 C ATOM 530 CG HIS A 32 15.664 13.824 6.943 1.00 0.00 C ATOM 531 ND1 HIS A 32 15.101 15.079 7.048 1.00 0.00 N ATOM 532 CD2 HIS A 32 15.486 13.230 8.146 1.00 0.00 C ATOM 533 CE1 HIS A 32 14.604 15.234 8.263 1.00 0.00 C ATOM 534 NE2 HIS A 32 14.825 14.127 8.948 1.00 0.00 N ATOM 535 H HIS A 32 14.558 14.926 4.721 1.00 0.00 H ATOM 536 HA HIS A 32 15.889 12.576 3.734 1.00 0.00 H ATOM 537 1HB HIS A 32 16.945 12.480 5.940 1.00 0.00 H ATOM 538 2HB HIS A 32 16.968 14.122 5.311 1.00 0.00 H ATOM 539 HD2 HIS A 32 15.808 12.226 8.426 1.00 0.00 H ATOM 540 HE1 HIS A 32 14.097 16.124 8.635 1.00 0.00 H ATOM 541 HE2 HIS A 32 14.554 13.961 9.907 1.00 0.00 H ATOM 542 N ALA A 33 13.250 12.139 5.573 1.00 0.00 N ATOM 543 CA ALA A 33 12.317 11.150 6.100 1.00 0.00 C ATOM 544 C ALA A 33 11.833 10.210 5.003 1.00 0.00 C ATOM 545 O ALA A 33 11.613 9.023 5.243 1.00 0.00 O ATOM 546 CB ALA A 33 11.134 11.838 6.766 1.00 0.00 C ATOM 547 H ALA A 33 12.983 13.114 5.570 1.00 0.00 H ATOM 548 HA ALA A 33 12.829 10.564 6.863 1.00 0.00 H ATOM 549 1HB ALA A 33 10.446 11.087 7.154 1.00 0.00 H ATOM 550 2HB ALA A 33 11.490 12.462 7.586 1.00 0.00 H ATOM 551 3HB ALA A 33 10.617 12.460 6.036 1.00 0.00 H ATOM 552 N LEU A 34 11.671 10.747 3.799 1.00 0.00 N ATOM 553 CA LEU A 34 11.224 9.954 2.660 1.00 0.00 C ATOM 554 C LEU A 34 12.337 9.046 2.150 1.00 0.00 C ATOM 555 O LEU A 34 12.080 7.936 1.687 1.00 0.00 O ATOM 556 CB LEU A 34 10.746 10.873 1.529 1.00 0.00 C ATOM 557 CG LEU A 34 10.258 10.165 0.258 1.00 0.00 C ATOM 558 CD1 LEU A 34 9.173 9.161 0.621 1.00 0.00 C ATOM 559 CD2 LEU A 34 9.738 11.198 -0.730 1.00 0.00 C ATOM 560 H LEU A 34 11.862 11.730 3.669 1.00 0.00 H ATOM 561 HA LEU A 34 10.384 9.334 2.978 1.00 0.00 H ATOM 562 1HB LEU A 34 9.927 11.486 1.902 1.00 0.00 H ATOM 563 2HB LEU A 34 11.567 11.532 1.247 1.00 0.00 H ATOM 564 HG LEU A 34 11.084 9.615 -0.192 1.00 0.00 H ATOM 565 1HD1 LEU A 34 8.826 8.658 -0.282 1.00 0.00 H ATOM 566 2HD1 LEU A 34 9.577 8.423 1.314 1.00 0.00 H ATOM 567 3HD1 LEU A 34 8.338 9.680 1.090 1.00 0.00 H ATOM 568 1HD2 LEU A 34 9.392 10.695 -1.634 1.00 0.00 H ATOM 569 2HD2 LEU A 34 8.911 11.748 -0.281 1.00 0.00 H ATOM 570 3HD2 LEU A 34 10.539 11.893 -0.986 1.00 0.00 H ATOM 571 N GLU A 35 13.572 9.527 2.239 1.00 0.00 N ATOM 572 CA GLU A 35 14.734 8.718 1.892 1.00 0.00 C ATOM 573 C GLU A 35 14.827 7.480 2.773 1.00 0.00 C ATOM 574 O GLU A 35 15.158 6.393 2.301 1.00 0.00 O ATOM 575 CB GLU A 35 16.016 9.543 2.019 1.00 0.00 C ATOM 576 CG GLU A 35 16.173 10.629 0.963 1.00 0.00 C ATOM 577 CD GLU A 35 17.445 11.414 1.116 1.00 0.00 C ATOM 578 OE1 GLU A 35 18.124 11.225 2.097 1.00 0.00 O ATOM 579 OE2 GLU A 35 17.739 12.206 0.251 1.00 0.00 O ATOM 580 H GLU A 35 13.709 10.477 2.554 1.00 0.00 H ATOM 581 HA GLU A 35 14.638 8.401 0.853 1.00 0.00 H ATOM 582 1HB GLU A 35 16.045 10.022 2.998 1.00 0.00 H ATOM 583 2HB GLU A 35 16.882 8.884 1.952 1.00 0.00 H ATOM 584 1HG GLU A 35 16.161 10.166 -0.023 1.00 0.00 H ATOM 585 2HG GLU A 35 15.323 11.307 1.026 1.00 0.00 H ATOM 586 N TRP A 36 14.532 7.650 4.058 1.00 0.00 N ATOM 587 CA TRP A 36 14.450 6.525 4.981 1.00 0.00 C ATOM 588 C TRP A 36 13.389 5.525 4.536 1.00 0.00 C ATOM 589 O TRP A 36 13.632 4.318 4.513 1.00 0.00 O ATOM 590 CB TRP A 36 14.132 7.017 6.395 1.00 0.00 C ATOM 591 CG TRP A 36 14.054 5.916 7.408 1.00 0.00 C ATOM 592 CD1 TRP A 36 15.063 5.474 8.210 1.00 0.00 C ATOM 593 CD2 TRP A 36 12.898 5.108 7.736 1.00 0.00 C ATOM 594 NE1 TRP A 36 14.618 4.450 9.010 1.00 0.00 N ATOM 595 CE2 TRP A 36 13.295 4.214 8.734 1.00 0.00 C ATOM 596 CE3 TRP A 36 11.578 5.074 7.269 1.00 0.00 C ATOM 597 CZ2 TRP A 36 12.420 3.288 9.279 1.00 0.00 C ATOM 598 CZ3 TRP A 36 10.700 4.145 7.817 1.00 0.00 C ATOM 599 CH2 TRP A 36 11.111 3.276 8.796 1.00 0.00 C ATOM 600 H TRP A 36 14.361 8.584 4.404 1.00 0.00 H ATOM 601 HA TRP A 36 15.417 6.022 5.002 1.00 0.00 H ATOM 602 1HB TRP A 36 14.898 7.724 6.714 1.00 0.00 H ATOM 603 2HB TRP A 36 13.180 7.547 6.390 1.00 0.00 H ATOM 604 HD1 TRP A 36 16.076 5.874 8.216 1.00 0.00 H ATOM 605 HE1 TRP A 36 15.173 3.951 9.690 1.00 0.00 H ATOM 606 HE3 TRP A 36 11.246 5.763 6.494 1.00 0.00 H ATOM 607 HZ2 TRP A 36 12.727 2.589 10.057 1.00 0.00 H ATOM 608 HZ3 TRP A 36 9.674 4.124 7.448 1.00 0.00 H ATOM 609 HH2 TRP A 36 10.396 2.561 9.204 1.00 0.00 H ATOM 610 N LEU A 37 12.214 6.034 4.184 1.00 0.00 N ATOM 611 CA LEU A 37 11.075 5.181 3.862 1.00 0.00 C ATOM 612 C LEU A 37 11.349 4.343 2.620 1.00 0.00 C ATOM 613 O LEU A 37 11.078 3.142 2.597 1.00 0.00 O ATOM 614 CB LEU A 37 9.819 6.034 3.645 1.00 0.00 C ATOM 615 CG LEU A 37 8.534 5.257 3.330 1.00 0.00 C ATOM 616 CD1 LEU A 37 8.251 4.267 4.452 1.00 0.00 C ATOM 617 CD2 LEU A 37 7.380 6.233 3.158 1.00 0.00 C ATOM 618 H LEU A 37 12.106 7.036 4.137 1.00 0.00 H ATOM 619 HA LEU A 37 10.896 4.510 4.704 1.00 0.00 H ATOM 620 1HB LEU A 37 9.639 6.622 4.543 1.00 0.00 H ATOM 621 2HB LEU A 37 10.003 6.719 2.818 1.00 0.00 H ATOM 622 HG LEU A 37 8.669 4.688 2.410 1.00 0.00 H ATOM 623 1HD1 LEU A 37 7.338 3.715 4.228 1.00 0.00 H ATOM 624 2HD1 LEU A 37 9.083 3.569 4.540 1.00 0.00 H ATOM 625 3HD1 LEU A 37 8.127 4.806 5.390 1.00 0.00 H ATOM 626 1HD2 LEU A 37 6.467 5.681 2.933 1.00 0.00 H ATOM 627 2HD2 LEU A 37 7.243 6.801 4.079 1.00 0.00 H ATOM 628 3HD2 LEU A 37 7.601 6.917 2.339 1.00 0.00 H ATOM 629 N GLU A 38 11.885 4.984 1.586 1.00 0.00 N ATOM 630 CA GLU A 38 12.149 4.310 0.321 1.00 0.00 C ATOM 631 C GLU A 38 13.163 3.187 0.495 1.00 0.00 C ATOM 632 O GLU A 38 13.001 2.099 -0.058 1.00 0.00 O ATOM 633 CB GLU A 38 12.655 5.310 -0.721 1.00 0.00 C ATOM 634 CG GLU A 38 11.595 6.275 -1.234 1.00 0.00 C ATOM 635 CD GLU A 38 12.142 7.283 -2.205 1.00 0.00 C ATOM 636 OE1 GLU A 38 13.338 7.334 -2.368 1.00 0.00 O ATOM 637 OE2 GLU A 38 11.364 8.004 -2.784 1.00 0.00 O ATOM 638 H GLU A 38 12.117 5.962 1.681 1.00 0.00 H ATOM 639 HA GLU A 38 11.214 3.884 -0.045 1.00 0.00 H ATOM 640 1HB GLU A 38 13.466 5.901 -0.294 1.00 0.00 H ATOM 641 2HB GLU A 38 13.059 4.770 -1.577 1.00 0.00 H ATOM 642 1HG GLU A 38 10.807 5.704 -1.725 1.00 0.00 H ATOM 643 2HG GLU A 38 11.153 6.796 -0.386 1.00 0.00 H ATOM 644 N LYS A 39 14.210 3.457 1.267 1.00 0.00 N ATOM 645 CA LYS A 39 15.230 2.454 1.553 1.00 0.00 C ATOM 646 C LYS A 39 14.708 1.396 2.515 1.00 0.00 C ATOM 647 O LYS A 39 15.024 0.214 2.383 1.00 0.00 O ATOM 648 CB LYS A 39 16.484 3.114 2.128 1.00 0.00 C ATOM 649 CG LYS A 39 17.265 3.959 1.129 1.00 0.00 C ATOM 650 CD LYS A 39 18.469 4.618 1.785 1.00 0.00 C ATOM 651 CE LYS A 39 19.242 5.472 0.791 1.00 0.00 C ATOM 652 NZ LYS A 39 20.402 6.154 1.428 1.00 0.00 N ATOM 653 H LYS A 39 14.302 4.380 1.667 1.00 0.00 H ATOM 654 HA LYS A 39 15.509 1.969 0.617 1.00 0.00 H ATOM 655 1HB LYS A 39 16.207 3.757 2.964 1.00 0.00 H ATOM 656 2HB LYS A 39 17.155 2.347 2.513 1.00 0.00 H ATOM 657 1HG LYS A 39 17.608 3.327 0.309 1.00 0.00 H ATOM 658 2HG LYS A 39 16.615 4.732 0.721 1.00 0.00 H ATOM 659 1HD LYS A 39 18.135 5.247 2.610 1.00 0.00 H ATOM 660 2HD LYS A 39 19.133 3.850 2.182 1.00 0.00 H ATOM 661 1HE LYS A 39 19.606 4.846 -0.021 1.00 0.00 H ATOM 662 2HE LYS A 39 18.581 6.228 0.369 1.00 0.00 H ATOM 663 1HZ LYS A 39 20.887 6.709 0.738 1.00 0.00 H ATOM 664 2HZ LYS A 39 20.074 6.753 2.173 1.00 0.00 H ATOM 665 3HZ LYS A 39 21.033 5.462 1.807 1.00 0.00 H ATOM 666 N TRP A 40 13.908 1.828 3.485 1.00 0.00 N ATOM 667 CA TRP A 40 13.328 0.916 4.463 1.00 0.00 C ATOM 668 C TRP A 40 12.423 -0.109 3.791 1.00 0.00 C ATOM 669 O TRP A 40 12.470 -1.297 4.110 1.00 0.00 O ATOM 670 CB TRP A 40 12.532 1.695 5.512 1.00 0.00 C ATOM 671 CG TRP A 40 11.804 0.816 6.485 1.00 0.00 C ATOM 672 CD1 TRP A 40 12.349 0.131 7.529 1.00 0.00 C ATOM 673 CD2 TRP A 40 10.386 0.524 6.509 1.00 0.00 C ATOM 674 NE1 TRP A 40 11.373 -0.566 8.198 1.00 0.00 N ATOM 675 CE2 TRP A 40 10.166 -0.336 7.588 1.00 0.00 C ATOM 676 CE3 TRP A 40 9.303 0.917 5.713 1.00 0.00 C ATOM 677 CZ2 TRP A 40 8.903 -0.816 7.897 1.00 0.00 C ATOM 678 CZ3 TRP A 40 8.037 0.436 6.024 1.00 0.00 C ATOM 679 CH2 TRP A 40 7.842 -0.407 7.088 1.00 0.00 C ATOM 680 H TRP A 40 13.696 2.814 3.545 1.00 0.00 H ATOM 681 HA TRP A 40 14.138 0.389 4.968 1.00 0.00 H ATOM 682 1HB TRP A 40 13.205 2.343 6.073 1.00 0.00 H ATOM 683 2HB TRP A 40 11.802 2.333 5.015 1.00 0.00 H ATOM 684 HD1 TRP A 40 13.405 0.136 7.794 1.00 0.00 H ATOM 685 HE1 TRP A 40 11.519 -1.153 9.006 1.00 0.00 H ATOM 686 HE3 TRP A 40 9.451 1.589 4.868 1.00 0.00 H ATOM 687 HZ2 TRP A 40 8.728 -1.488 8.738 1.00 0.00 H ATOM 688 HZ3 TRP A 40 7.199 0.747 5.399 1.00 0.00 H ATOM 689 HH2 TRP A 40 6.835 -0.765 7.304 1.00 0.00 H ATOM 690 N LEU A 41 11.598 0.358 2.859 1.00 0.00 N ATOM 691 CA LEU A 41 10.675 -0.516 2.146 1.00 0.00 C ATOM 692 C LEU A 41 11.425 -1.568 1.339 1.00 0.00 C ATOM 693 O LEU A 41 11.037 -2.737 1.312 1.00 0.00 O ATOM 694 CB LEU A 41 9.778 0.308 1.214 1.00 0.00 C ATOM 695 CG LEU A 41 8.763 1.225 1.908 1.00 0.00 C ATOM 696 CD1 LEU A 41 8.215 2.229 0.903 1.00 0.00 C ATOM 697 CD2 LEU A 41 7.645 0.385 2.507 1.00 0.00 C ATOM 698 H LEU A 41 11.612 1.344 2.639 1.00 0.00 H ATOM 699 HA LEU A 41 10.042 -1.021 2.876 1.00 0.00 H ATOM 700 1HB LEU A 41 10.411 0.931 0.584 1.00 0.00 H ATOM 701 2HB LEU A 41 9.222 -0.376 0.572 1.00 0.00 H ATOM 702 HG LEU A 41 9.261 1.785 2.700 1.00 0.00 H ATOM 703 1HD1 LEU A 41 7.494 2.882 1.396 1.00 0.00 H ATOM 704 2HD1 LEU A 41 9.033 2.830 0.505 1.00 0.00 H ATOM 705 3HD1 LEU A 41 7.725 1.698 0.088 1.00 0.00 H ATOM 706 1HD2 LEU A 41 6.924 1.037 3.000 1.00 0.00 H ATOM 707 2HD2 LEU A 41 7.146 -0.174 1.715 1.00 0.00 H ATOM 708 3HD2 LEU A 41 8.062 -0.311 3.234 1.00 0.00 H ATOM 709 N LYS A 42 12.500 -1.148 0.682 1.00 0.00 N ATOM 710 CA LYS A 42 13.315 -2.057 -0.115 1.00 0.00 C ATOM 711 C LYS A 42 13.967 -3.122 0.758 1.00 0.00 C ATOM 712 O LYS A 42 13.995 -4.299 0.401 1.00 0.00 O ATOM 713 CB LYS A 42 14.385 -1.281 -0.885 1.00 0.00 C ATOM 714 CG LYS A 42 13.848 -0.453 -2.045 1.00 0.00 C ATOM 715 CD LYS A 42 14.963 0.318 -2.736 1.00 0.00 C ATOM 716 CE LYS A 42 14.426 1.160 -3.884 1.00 0.00 C ATOM 717 NZ LYS A 42 15.505 1.928 -4.563 1.00 0.00 N ATOM 718 H LYS A 42 12.760 -0.173 0.736 1.00 0.00 H ATOM 719 HA LYS A 42 12.671 -2.549 -0.845 1.00 0.00 H ATOM 720 1HB LYS A 42 14.905 -0.606 -0.205 1.00 0.00 H ATOM 721 2HB LYS A 42 15.123 -1.977 -1.284 1.00 0.00 H ATOM 722 1HG LYS A 42 13.370 -1.111 -2.771 1.00 0.00 H ATOM 723 2HG LYS A 42 13.105 0.252 -1.675 1.00 0.00 H ATOM 724 1HD LYS A 42 15.453 0.974 -2.014 1.00 0.00 H ATOM 725 2HD LYS A 42 15.702 -0.381 -3.125 1.00 0.00 H ATOM 726 1HE LYS A 42 13.943 0.512 -4.614 1.00 0.00 H ATOM 727 2HE LYS A 42 13.682 1.860 -3.505 1.00 0.00 H ATOM 728 1HZ LYS A 42 15.108 2.471 -5.317 1.00 0.00 H ATOM 729 2HZ LYS A 42 15.948 2.546 -3.898 1.00 0.00 H ATOM 730 3HZ LYS A 42 16.191 1.287 -4.936 1.00 0.00 H ATOM 731 N GLY A 43 14.489 -2.701 1.905 1.00 0.00 N ATOM 732 CA GLY A 43 15.081 -3.627 2.864 1.00 0.00 C ATOM 733 C GLY A 43 16.596 -3.681 2.714 1.00 0.00 C ATOM 734 O GLY A 43 17.129 -3.484 1.621 1.00 0.00 O ATOM 735 OXT GLY A 43 17.285 -3.916 3.668 1.00 0.00 O ATOM 736 H GLY A 43 14.476 -1.713 2.119 1.00 0.00 H ATOM 737 1HA GLY A 43 14.822 -3.317 3.876 1.00 0.00 H ATOM 738 2HA GLY A 43 14.661 -4.622 2.716 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE start10_0141_0001.pdb label fa_atr fa_rep fa_sol fa_intra_atr_xover4 fa_intra_rep_xover4 fa_intra_sol_xover4 lk_ball lk_ball_iso lk_ball_bridge lk_ball_bridge_uncpl fa_elec fa_intra_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun_dev fa_dun_rot fa_dun_semi p_aa_pp hxl_tors ref rama_prepro gen_bonded total weights 1 0.55 1 1 0.55 1 0.92 -0.38 -0.33 -0.33 1 1 1.25 1 1 1 1 1.25 0.48 0.69 0.76 0.78 0.61 1 1 0.5 1 NA pose -224.38 27.8066 140.706 -18.1769 10.6169 10.7328 77.9364 -86.2384 -0.20308 -1.57033 -53.2203 -14.3524 0 -20.2243 -7.40333 -1.49501 -5.46329 0 2.90375 3.12091 25.972 39.8711 -14.4409 6.86363 -16.8669 -4.59532 0 -122.1 ASP:NtermProteinFull_1 -2.15951 0.1253 2.34477 -0.12308 0.01131 0.37286 1.29004 -1.09449 -0.00274 -0.04264 -0.65218 -1.30146 0 0 0 0 0 0 0.18539 0.04923 0 2.20979 0 0 -2.3716 0 0 -1.15903 TRP_2 -8.76141 1.93569 1.22016 -0.94925 0.06186 0.31338 1.70876 -1.95504 -0 -0 -1.24668 -0.4835 0 0 0 0 0 0 -0.03868 0.36357 0 1.57194 -0.06314 0 1.6906 -0.15277 0 -4.78452 GLU_3 -3.57979 0.19339 3.55668 -0.2159 0.03008 0.30084 1.28003 -1.67825 -0 -0 0.01893 -0.5854 0 0 0 0 0 0 -0.01879 0.00068 0 3.02847 -0.24248 0 -2.7348 -0.30835 0 -0.95468 GLU_4 -3.62007 0.1789 4.35334 -0.21494 0.02733 0.3023 1.66787 -1.98388 -0.00804 -0.11951 -1.18722 -0.58329 0 0 0 0 0 0 0.29392 0.02231 0 3.0647 -0.26091 0 -2.7348 -0.33291 0 -1.13489 ILE_5 -7.12709 0.90891 3.66565 -0.5195 0.68998 0.10371 2.59579 -2.58185 -0 -0 -1.23201 0.02539 0 0 0 0 0 0 -0.03334 0.00209 0.82314 0 -0.28712 0 0.73287 -0.10008 0 -2.33345 ILE_6 -8.8862 1.31983 3.85107 -0.51054 0.55285 0.09989 2.81215 -2.82588 -0 -0 -2.1925 0.13582 0 0 0 0 0 0 -0.00797 0.11676 0.48809 0 -0.43546 0 0.73287 0.38626 0 -4.36296 GLU_7 -5.00621 0.28763 5.70402 -0.21615 0.02496 0.29384 2.36512 -2.58315 -0.0053 -0.07686 -1.57023 -0.58898 0 0 0 0 0 0 0.12223 0.06513 0 3.00473 -0.3027 0 -2.7348 0.0848 0 -1.13194 HIS_D_8 -5.78265 0.56077 6.22939 -0.67922 0.01571 0.68509 3.03897 -2.94438 -0 -0 -2.94959 -0.29994 0 0 0 0 -0.89514 0 -0.00262 0.02912 0 1.57112 -0.28958 0 -0.45461 0.25142 0 -1.91613 ALA_9 -6.04278 0.71212 4.04956 -0.02184 0 0 2.88744 -2.89749 -0 -0 -2.53927 -0.35885 0 0 0 0 0 0 -0.0448 0 0 0 -0.26432 0 1.8394 0.40626 0 -2.27457 LYS_10 -5.39932 0.25526 5.31003 -0.45992 0.24674 0.16161 2.22765 -2.54107 -0.00563 -0.05416 -1.21424 0.07792 0 0 0 0 0 0 -0.0314 0.06934 2.77116 0 0.02048 0 -1.5107 -0.03384 0 -0.11008 LYS_11 -3.4446 0.2849 4.14338 -0.3062 0.02622 0.13688 1.62248 -1.80552 -0 -0 -1.15918 -0.02885 0 0 0 0 0 0 -0.05333 0.08942 1.73018 0 -0.04257 0 -1.5107 -0.14388 0 -0.46137 ARG_12 -4.86535 0.67726 4.73963 -0.65542 0.11514 0.43767 1.70805 -2.19531 -0 -0 -1.66785 0.2329 0 0 0 0 -0.89514 0 0.02003 0.03715 2.03889 0 -0.043 0 -1.2888 -0.41228 0 -2.01644 ASN_13 -3.24743 0.26514 3.88606 -0.19319 0.0363 0.32642 1.91634 -1.91928 -0 -0 -1.14378 -1.01273 0 0 0 0 -0.98497 0 -0.05979 0.00052 0 1.95719 -1.04201 0 -0.93687 -0.4939 0 -2.64596 THR_14 -4.00462 0.52879 2.76184 -0.20558 0.15154 0.07163 1.39923 -1.75989 -0.00031 -0.00135 -1.11289 -0.84789 0 0 0 0 0 0 0.1814 0.03003 1.03008 0 -0.78969 2.28737 -1.0874 -0.05307 0 -1.42077 ARG_15 -4.35229 0.59303 2.91689 -0.6535 0.13048 0.3867 1.22884 -1.40729 -0 -0 -2.40905 0.613 0 0 0 0 -0.85153 0 0.19308 0.3301 2.2946 0 0.02032 0 -1.2888 0.10153 0 -2.15388 ILE_16 -5.71837 0.83948 2.2381 -0.48389 0.80888 0.09915 2.07835 -1.78041 -0.00619 -0.02397 -1.76637 0.06398 0 0 0 0 0 0 -0.04053 0.07933 0.32836 0 -0.7363 0 0.73287 -0.2998 0 -3.58732 VAL_17 -3.43573 0.4378 0.33669 -0.27422 0.19081 0.05713 0.30069 -0.78699 -0.0208 -0.14114 -0.27041 -0.23854 0 0 0 0 0 0 -0.06752 0.05684 0.28373 0 -0.78937 0 1.9342 -0.44578 0 -2.8726 HIS_18 -4.62593 0.56075 4.02541 -0.49684 0.00974 0.28749 2.16339 -2.07525 -0.03716 -0.23148 -1.59321 -0.87115 0 0 0 0 0 0 -0.02138 0.01074 0 2.04293 -0.45357 0 -0.45461 -0.17216 0 -1.93229 THR_19 -3.447 0.25834 2.40803 -0.17446 0.10995 0.06534 0.62171 -1.5055 -0 -0 -0.49948 0.08228 0 0 0 0 0 0 -0.02471 0.01745 0.05484 0 0.12386 2.29082 -1.0874 0.16307 0 -0.54284 ILE_20 -6.96715 0.9083 2.03 -0.49981 0.73294 0.12181 1.79803 -1.92173 -0.01139 -0.12452 -1.0416 -0.17683 0 0 0 0 0 0 0.49558 0.00089 0.2609 0 -0.48256 0 0.73287 0.19371 0 -3.95055 GLY_21 -1.36486 0.06091 1.37277 -0.00021 0 0 0.39082 -0.79293 -0 -0 0.32163 -0.30365 0 0 0 0 0 0 -0.29398 0 0 0 -1.3713 0 0.83697 0.37323 0 -0.7706 ASP_22 -1.24699 0.07316 1.62654 -0.24856 0.04989 0.86247 0.44914 -0.79031 -0.01139 -0.12452 -0.02823 -2.68706 0 0 0 0 0 0 -0.03488 0.2462 0 2.57409 -0.3329 0 -2.3716 0.01821 0 -1.97674 ILE_23 -5.76601 0.63858 3.16437 -0.59274 0.89641 0.13401 2.18385 -2.23186 -0.01048 -0.06771 -1.32605 0.01528 0 0 0 0 0 0 0.08512 0.06885 1.45255 0 -0.6275 0 0.73287 -0.38337 0 -1.63383 THR_24 -3.29503 0.22795 1.11963 -0.17459 0.11545 0.06528 0.36232 -1.11273 -0.01323 -0.04903 -0.15387 0.09391 0 0 0 0 0 0 0.08666 0.00387 0.05553 0 0.09543 2.28544 -1.0874 -0.07998 0 -1.45437 ILE_25 -8.73921 1.38874 1.71542 -0.64968 1.26095 0.12063 2.37277 -2.29656 -0.00037 -0.00145 -1.4784 0.39067 0 0 0 0 0 0 0.09348 0.06726 1.01241 0 -0.78382 0 0.73287 -0.20509 0 -4.99938 ILE_26 -7.2887 1.31475 1.31027 -0.56481 0.52753 0.15551 1.47606 -1.98699 -0.01323 -0.04903 -0.47835 0.10741 0 0 0 0 0 0 0.00351 0.06235 3.28984 0 -0.78114 0 0.73287 -0.53528 0 -2.71743 ILE_27 -8.07776 1.07226 1.21028 -0.50133 0.68312 0.1159 2.17752 -1.89338 -0.00037 -0.00145 -1.52676 0.07491 0 0 0 0 0 0 -0.04982 0.00291 0.40107 0 -0.51665 0 0.73287 -0.46567 0 -6.56236 ASP_28 -5.04845 0.53714 5.18974 -0.10893 0.01542 0.32509 2.77639 -2.42413 -0.00143 -0.00488 -3.57776 -1.33061 0 0 0 -0.7475 -0.85153 0 0.10839 0.08395 0 2.31588 -0.21059 0 -2.3716 0.00321 0 -5.3222 HIS_29 -3.7458 0.36164 3.93315 -0.39832 0.01246 0.43949 1.60213 -1.83274 -0 -0 -1.98384 -0.32974 0 0 0 -0.7475 -0.98497 0 0.28763 0.00698 0 2.61014 0.04443 0 -0.45461 0.01378 0 -1.16568 ASN_30 -1.3235 0.13625 1.38691 -0.19339 0.02929 0.33003 0.21764 -0.67503 -0 -0 0.02094 -1.02143 0 0 0 0 0 0 -0.09752 0.04246 0 1.89925 -1.03319 0 -0.93687 -0.47087 0 -1.68903 ILE_31 -7.40825 1.3484 3.62267 -0.57605 0.92096 0.12307 2.43367 -2.6322 -0.00143 -0.00488 -0.18224 0.07021 0 0 0 0 0 0 0.33909 0.18354 1.37521 0 -0.65621 0 0.73287 -0.45878 0 -0.77034 HIS_32 -3.6553 0.22815 3.54211 -0.69765 0.00979 0.74747 1.20638 -1.80975 -0.02124 -0.1531 -1.02797 -1.88623 0 0 0 0 0 0 -0.04569 0.07485 0 2.04025 -0.03167 0 -0.45461 -0.26443 0 -2.19863 ALA_33 -5.88337 0.99093 2.90088 -0.0227 0 0 2.60139 -2.49142 -0 -0 -0.62246 -0.36745 0 0 0 0 0 0 0.00512 0 0 0 -0.18395 0 1.8394 -0.314 0 -1.54762 LEU_34 -8.54402 1.12941 4.72648 -0.73617 0.71943 0.3415 3.36145 -3.02741 -0 -0 -1.1496 0.11196 0 0 0 0 0 0 0.4697 0.30112 1.35352 0 -0.29302 0 0.18072 -0.31232 0 -1.36724 GLU_35 -4.63123 0.196 5.62804 -0.21515 0.02701 0.29399 2.13471 -2.52709 -0.02399 -0.19879 -1.39436 -0.58489 0 0 0 0 0 0 0.50642 0.03174 0 3.0097 -0.23033 0 -2.7348 -0.2555 0 -0.96851 TRP_36 -9.58782 1.58543 3.11003 -1.37301 0.26795 0.55137 2.51842 -2.75797 -0 -0 -2.44398 -0.21081 0 0 0 0 0 0 0.1045 0.00527 0 1.75166 -0.27276 0 1.6906 -0.03701 0 -5.09814 LEU_37 -10.1814 1.98377 2.99052 -0.7127 0.63645 0.2725 2.87419 -2.85259 -0 -0 -1.82613 0.17788 0 0 0 0 0 0 -0.02802 0.0957 0.85335 0 -0.22454 0 0.18072 0.28683 0 -5.47343 GLU_38 -5.65227 0.21922 5.91228 -0.21367 0.02801 0.29576 2.24305 -2.70718 -0.00838 -0.09985 -1.96166 -0.58356 0 0 0 0 0 0 0.09521 0.01981 0 3.02813 -0.17378 0 -2.7348 0.04258 0 -2.25111 LYS_39 -4.19813 0.14294 5.07425 -0.30628 0.02982 0.14066 2.15292 -2.31339 -0 -0 -1.60609 -0.04937 0 0 0 0 0 0 0.04407 0.00957 1.8773 0 -0.10908 0 -1.5107 -0.22203 0 -0.84353 TRP_40 -7.59852 0.82884 3.10182 -1.2415 0.0483 0.54587 1.98206 -2.35898 -0 -0 -1.17478 -0.37434 0 0 0 0 0 0 -0.01689 0.09561 0 2.1911 -0.15667 0 1.6906 -0.05712 0 -2.4946 LEU_41 -6.58998 1.28614 2.80483 -0.49175 0.33852 0.11445 1.43789 -2.05999 -0 -0 -0.82234 0.23907 0 0 0 0 0 0 0.0151 0.31892 0.42399 0 -0.25539 0 0.18072 0.11042 0 -2.9494 LYS_42 -2.73692 0.16582 3.28418 -0.30402 0.02731 0.13402 1.35822 -1.43222 -0 -0 -0.68796 -0.00908 0 0 0 0 0 0 0.17976 0.02926 1.77322 0 0.02384 0 -1.5107 0.02078 0 0.31549 GLY:CtermProteinFull_43 -1.34321 0.0586 2.20828 -0.0003 0 0 0.91248 -0.98889 -0 -0 -0.68121 0.25069 0 0 0 0 0 0 0 0 0 0 0 0 0.83697 -0.04114 0 1.21227 #END_POSE_ENERGIES_TABLE start10_0141_0001.pdb score_per_res -2.39929 total_score -103.169
HEEH_KT_rd6_1591.pdb
ATOM 1 N ASP A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA ASP A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C ASP A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O ASP A 1 3.081 1.680 -0.546 1.00 0.00 O ATOM 5 CB ASP A 1 1.994 -0.762 -1.214 1.00 0.00 C ATOM 6 CG ASP A 1 1.481 -0.207 -2.536 1.00 0.00 C ATOM 7 OD1 ASP A 1 0.572 0.589 -2.511 1.00 0.00 O ATOM 8 OD2 ASP A 1 2.001 -0.586 -3.558 1.00 0.00 O ATOM 9 1H ASP A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 10 2H ASP A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 11 3H ASP A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 12 HA ASP A 1 1.804 -0.509 0.900 1.00 0.00 H ATOM 13 1HB ASP A 1 3.084 -0.719 -1.218 1.00 0.00 H ATOM 14 2HB ASP A 1 1.708 -1.811 -1.141 1.00 0.00 H ATOM 15 N GLU A 2 1.269 2.336 0.615 1.00 0.00 N ATOM 16 CA GLU A 2 1.646 3.744 0.626 1.00 0.00 C ATOM 17 C GLU A 2 2.958 3.958 1.370 1.00 0.00 C ATOM 18 O GLU A 2 3.780 4.786 0.975 1.00 0.00 O ATOM 19 CB GLU A 2 0.542 4.588 1.266 1.00 0.00 C ATOM 20 CG GLU A 2 -0.726 4.702 0.432 1.00 0.00 C ATOM 21 CD GLU A 2 -1.779 5.557 1.081 1.00 0.00 C ATOM 22 OE1 GLU A 2 -1.575 5.972 2.197 1.00 0.00 O ATOM 23 OE2 GLU A 2 -2.788 5.795 0.461 1.00 0.00 O ATOM 24 H GLU A 2 0.424 2.050 1.088 1.00 0.00 H ATOM 25 HA GLU A 2 1.771 4.077 -0.405 1.00 0.00 H ATOM 26 1HB GLU A 2 0.270 4.160 2.231 1.00 0.00 H ATOM 27 2HB GLU A 2 0.914 5.596 1.449 1.00 0.00 H ATOM 28 1HG GLU A 2 -0.474 5.130 -0.537 1.00 0.00 H ATOM 29 2HG GLU A 2 -1.128 3.704 0.264 1.00 0.00 H ATOM 30 N GLU A 3 3.148 3.208 2.450 1.00 0.00 N ATOM 31 CA GLU A 3 4.356 3.323 3.259 1.00 0.00 C ATOM 32 C GLU A 3 5.584 2.866 2.484 1.00 0.00 C ATOM 33 O GLU A 3 6.635 3.505 2.534 1.00 0.00 O ATOM 34 CB GLU A 3 4.217 2.503 4.544 1.00 0.00 C ATOM 35 CG GLU A 3 3.147 3.010 5.501 1.00 0.00 C ATOM 36 CD GLU A 3 1.759 2.595 5.099 1.00 0.00 C ATOM 37 OE1 GLU A 3 1.633 1.836 4.169 1.00 0.00 O ATOM 38 OE2 GLU A 3 0.824 3.037 5.725 1.00 0.00 O ATOM 39 H GLU A 3 2.439 2.541 2.717 1.00 0.00 H ATOM 40 HA GLU A 3 4.488 4.369 3.537 1.00 0.00 H ATOM 41 1HB GLU A 3 3.978 1.470 4.292 1.00 0.00 H ATOM 42 2HB GLU A 3 5.168 2.499 5.077 1.00 0.00 H ATOM 43 1HG GLU A 3 3.355 2.625 6.499 1.00 0.00 H ATOM 44 2HG GLU A 3 3.198 4.097 5.543 1.00 0.00 H ATOM 45 N LEU A 4 5.446 1.755 1.768 1.00 0.00 N ATOM 46 CA LEU A 4 6.545 1.208 0.980 1.00 0.00 C ATOM 47 C LEU A 4 6.961 2.170 -0.125 1.00 0.00 C ATOM 48 O LEU A 4 8.151 2.394 -0.349 1.00 0.00 O ATOM 49 CB LEU A 4 6.141 -0.139 0.369 1.00 0.00 C ATOM 50 CG LEU A 4 5.951 -1.291 1.364 1.00 0.00 C ATOM 51 CD1 LEU A 4 5.235 -2.445 0.675 1.00 0.00 C ATOM 52 CD2 LEU A 4 7.307 -1.729 1.898 1.00 0.00 C ATOM 53 H LEU A 4 4.556 1.276 1.769 1.00 0.00 H ATOM 54 HA LEU A 4 7.397 1.045 1.642 1.00 0.00 H ATOM 55 1HB LEU A 4 5.203 -0.009 -0.170 1.00 0.00 H ATOM 56 2HB LEU A 4 6.907 -0.441 -0.345 1.00 0.00 H ATOM 57 HG LEU A 4 5.325 -0.958 2.192 1.00 0.00 H ATOM 58 1HD1 LEU A 4 5.101 -3.264 1.382 1.00 0.00 H ATOM 59 2HD1 LEU A 4 4.261 -2.109 0.320 1.00 0.00 H ATOM 60 3HD1 LEU A 4 5.831 -2.790 -0.170 1.00 0.00 H ATOM 61 1HD2 LEU A 4 7.172 -2.548 2.606 1.00 0.00 H ATOM 62 2HD2 LEU A 4 7.933 -2.064 1.071 1.00 0.00 H ATOM 63 3HD2 LEU A 4 7.788 -0.890 2.401 1.00 0.00 H ATOM 64 N LEU A 5 5.976 2.735 -0.813 1.00 0.00 N ATOM 65 CA LEU A 5 6.239 3.615 -1.945 1.00 0.00 C ATOM 66 C LEU A 5 7.008 4.856 -1.512 1.00 0.00 C ATOM 67 O LEU A 5 7.948 5.281 -2.185 1.00 0.00 O ATOM 68 CB LEU A 5 4.921 4.029 -2.612 1.00 0.00 C ATOM 69 CG LEU A 5 4.160 2.909 -3.334 1.00 0.00 C ATOM 70 CD1 LEU A 5 2.751 3.383 -3.664 1.00 0.00 C ATOM 71 CD2 LEU A 5 4.914 2.515 -4.596 1.00 0.00 C ATOM 72 H LEU A 5 5.019 2.551 -0.544 1.00 0.00 H ATOM 73 HA LEU A 5 6.838 3.070 -2.676 1.00 0.00 H ATOM 74 1HB LEU A 5 4.261 4.440 -1.851 1.00 0.00 H ATOM 75 2HB LEU A 5 5.131 4.810 -3.342 1.00 0.00 H ATOM 76 HG LEU A 5 4.076 2.044 -2.676 1.00 0.00 H ATOM 77 1HD1 LEU A 5 2.211 2.587 -4.176 1.00 0.00 H ATOM 78 2HD1 LEU A 5 2.229 3.640 -2.742 1.00 0.00 H ATOM 79 3HD1 LEU A 5 2.804 4.259 -4.308 1.00 0.00 H ATOM 80 1HD2 LEU A 5 4.373 1.718 -5.108 1.00 0.00 H ATOM 81 2HD2 LEU A 5 4.997 3.379 -5.255 1.00 0.00 H ATOM 82 3HD2 LEU A 5 5.911 2.164 -4.329 1.00 0.00 H ATOM 83 N LYS A 6 6.605 5.433 -0.385 1.00 0.00 N ATOM 84 CA LYS A 6 7.268 6.617 0.149 1.00 0.00 C ATOM 85 C LYS A 6 8.701 6.308 0.561 1.00 0.00 C ATOM 86 O LYS A 6 9.613 7.093 0.306 1.00 0.00 O ATOM 87 CB LYS A 6 6.487 7.176 1.340 1.00 0.00 C ATOM 88 CG LYS A 6 5.167 7.839 0.971 1.00 0.00 C ATOM 89 CD LYS A 6 4.428 8.325 2.209 1.00 0.00 C ATOM 90 CE LYS A 6 3.097 8.967 1.844 1.00 0.00 C ATOM 91 NZ LYS A 6 2.350 9.422 3.048 1.00 0.00 N ATOM 92 H LYS A 6 5.819 5.041 0.114 1.00 0.00 H ATOM 93 HA LYS A 6 7.284 7.384 -0.626 1.00 0.00 H ATOM 94 1HB LYS A 6 6.273 6.372 2.044 1.00 0.00 H ATOM 95 2HB LYS A 6 7.098 7.914 1.861 1.00 0.00 H ATOM 96 1HG LYS A 6 5.357 8.690 0.315 1.00 0.00 H ATOM 97 2HG LYS A 6 4.538 7.126 0.439 1.00 0.00 H ATOM 98 1HD LYS A 6 4.244 7.483 2.877 1.00 0.00 H ATOM 99 2HD LYS A 6 5.041 9.057 2.735 1.00 0.00 H ATOM 100 1HE LYS A 6 3.273 9.823 1.195 1.00 0.00 H ATOM 101 2HE LYS A 6 2.483 8.248 1.302 1.00 0.00 H ATOM 102 1HZ LYS A 6 1.475 9.840 2.764 1.00 0.00 H ATOM 103 2HZ LYS A 6 2.165 8.631 3.649 1.00 0.00 H ATOM 104 3HZ LYS A 6 2.901 10.103 3.549 1.00 0.00 H ATOM 105 N LEU A 7 8.892 5.158 1.201 1.00 0.00 N ATOM 106 CA LEU A 7 10.212 4.755 1.672 1.00 0.00 C ATOM 107 C LEU A 7 11.161 4.506 0.508 1.00 0.00 C ATOM 108 O LEU A 7 12.350 4.815 0.586 1.00 0.00 O ATOM 109 CB LEU A 7 10.103 3.489 2.531 1.00 0.00 C ATOM 110 CG LEU A 7 9.450 3.672 3.907 1.00 0.00 C ATOM 111 CD1 LEU A 7 9.113 2.309 4.496 1.00 0.00 C ATOM 112 CD2 LEU A 7 10.393 4.444 4.818 1.00 0.00 C ATOM 113 H LEU A 7 8.104 4.549 1.363 1.00 0.00 H ATOM 114 HA LEU A 7 10.618 5.557 2.290 1.00 0.00 H ATOM 115 1HB LEU A 7 9.522 2.747 1.985 1.00 0.00 H ATOM 116 2HB LEU A 7 11.105 3.090 2.690 1.00 0.00 H ATOM 117 HG LEU A 7 8.518 4.227 3.796 1.00 0.00 H ATOM 118 1HD1 LEU A 7 8.648 2.440 5.473 1.00 0.00 H ATOM 119 2HD1 LEU A 7 8.422 1.787 3.833 1.00 0.00 H ATOM 120 3HD1 LEU A 7 10.025 1.724 4.603 1.00 0.00 H ATOM 121 1HD2 LEU A 7 9.928 4.575 5.796 1.00 0.00 H ATOM 122 2HD2 LEU A 7 11.325 3.889 4.931 1.00 0.00 H ATOM 123 3HD2 LEU A 7 10.602 5.421 4.382 1.00 0.00 H ATOM 124 N ILE A 8 10.629 3.945 -0.573 1.00 0.00 N ATOM 125 CA ILE A 8 11.426 3.667 -1.763 1.00 0.00 C ATOM 126 C ILE A 8 12.022 4.946 -2.337 1.00 0.00 C ATOM 127 O ILE A 8 13.229 5.033 -2.563 1.00 0.00 O ATOM 128 CB ILE A 8 10.579 2.966 -2.840 1.00 0.00 C ATOM 129 CG1 ILE A 8 10.252 1.533 -2.413 1.00 0.00 C ATOM 130 CG2 ILE A 8 11.306 2.974 -4.176 1.00 0.00 C ATOM 131 CD1 ILE A 8 9.167 0.881 -3.239 1.00 0.00 C ATOM 132 H ILE A 8 9.649 3.705 -0.571 1.00 0.00 H ATOM 133 HA ILE A 8 12.240 2.996 -1.485 1.00 0.00 H ATOM 134 HB ILE A 8 9.628 3.486 -2.951 1.00 0.00 H ATOM 135 1HG1 ILE A 8 11.150 0.919 -2.483 1.00 0.00 H ATOM 136 2HG1 ILE A 8 9.935 1.527 -1.370 1.00 0.00 H ATOM 137 1HG2 ILE A 8 10.693 2.473 -4.926 1.00 0.00 H ATOM 138 2HG2 ILE A 8 11.488 4.002 -4.485 1.00 0.00 H ATOM 139 3HG2 ILE A 8 12.257 2.450 -4.076 1.00 0.00 H ATOM 140 1HD1 ILE A 8 8.991 -0.132 -2.876 1.00 0.00 H ATOM 141 2HD1 ILE A 8 8.248 1.462 -3.155 1.00 0.00 H ATOM 142 3HD1 ILE A 8 9.478 0.843 -4.282 1.00 0.00 H ATOM 143 N LEU A 9 11.169 5.937 -2.574 1.00 0.00 N ATOM 144 CA LEU A 9 11.591 7.174 -3.217 1.00 0.00 C ATOM 145 C LEU A 9 12.560 7.951 -2.335 1.00 0.00 C ATOM 146 O LEU A 9 13.563 8.480 -2.814 1.00 0.00 O ATOM 147 CB LEU A 9 10.372 8.047 -3.539 1.00 0.00 C ATOM 148 CG LEU A 9 10.676 9.400 -4.194 1.00 0.00 C ATOM 149 CD1 LEU A 9 11.418 9.175 -5.504 1.00 0.00 C ATOM 150 CD2 LEU A 9 9.377 10.157 -4.424 1.00 0.00 C ATOM 151 H LEU A 9 10.202 5.830 -2.299 1.00 0.00 H ATOM 152 HA LEU A 9 12.094 6.924 -4.153 1.00 0.00 H ATOM 153 1HB LEU A 9 9.717 7.494 -4.211 1.00 0.00 H ATOM 154 2HB LEU A 9 9.829 8.241 -2.614 1.00 0.00 H ATOM 155 HG LEU A 9 11.325 9.983 -3.539 1.00 0.00 H ATOM 156 1HD1 LEU A 9 11.635 10.137 -5.970 1.00 0.00 H ATOM 157 2HD1 LEU A 9 12.353 8.650 -5.308 1.00 0.00 H ATOM 158 3HD1 LEU A 9 10.800 8.579 -6.175 1.00 0.00 H ATOM 159 1HD2 LEU A 9 9.593 11.119 -4.889 1.00 0.00 H ATOM 160 2HD2 LEU A 9 8.728 9.575 -5.079 1.00 0.00 H ATOM 161 3HD2 LEU A 9 8.876 10.319 -3.469 1.00 0.00 H ATOM 162 N GLU A 10 12.256 8.015 -1.044 1.00 0.00 N ATOM 163 CA GLU A 10 13.086 8.751 -0.096 1.00 0.00 C ATOM 164 C GLU A 10 14.484 8.154 -0.011 1.00 0.00 C ATOM 165 O GLU A 10 15.474 8.879 0.086 1.00 0.00 O ATOM 166 CB GLU A 10 12.437 8.755 1.290 1.00 0.00 C ATOM 167 CG GLU A 10 11.202 9.637 1.404 1.00 0.00 C ATOM 168 CD GLU A 10 10.556 9.567 2.760 1.00 0.00 C ATOM 169 OE1 GLU A 10 11.015 8.806 3.577 1.00 0.00 O ATOM 170 OE2 GLU A 10 9.602 10.277 2.978 1.00 0.00 O ATOM 171 H GLU A 10 11.428 7.543 -0.710 1.00 0.00 H ATOM 172 HA GLU A 10 13.166 9.784 -0.435 1.00 0.00 H ATOM 173 1HB GLU A 10 12.149 7.739 1.560 1.00 0.00 H ATOM 174 2HB GLU A 10 13.162 9.097 2.030 1.00 0.00 H ATOM 175 1HG GLU A 10 11.485 10.669 1.201 1.00 0.00 H ATOM 176 2HG GLU A 10 10.480 9.332 0.647 1.00 0.00 H ATOM 177 N ALA A 11 14.560 6.828 -0.047 1.00 0.00 N ATOM 178 CA ALA A 11 15.839 6.131 0.014 1.00 0.00 C ATOM 179 C ALA A 11 16.717 6.486 -1.179 1.00 0.00 C ATOM 180 O ALA A 11 17.931 6.643 -1.043 1.00 0.00 O ATOM 181 CB ALA A 11 15.620 4.627 0.081 1.00 0.00 C ATOM 182 H ALA A 11 13.709 6.288 -0.120 1.00 0.00 H ATOM 183 HA ALA A 11 16.353 6.431 0.928 1.00 0.00 H ATOM 184 1HB ALA A 11 16.584 4.120 0.126 1.00 0.00 H ATOM 185 2HB ALA A 11 15.040 4.382 0.970 1.00 0.00 H ATOM 186 3HB ALA A 11 15.079 4.299 -0.806 1.00 0.00 H ATOM 187 N LEU A 12 16.097 6.611 -2.346 1.00 0.00 N ATOM 188 CA LEU A 12 16.827 6.906 -3.574 1.00 0.00 C ATOM 189 C LEU A 12 17.311 8.351 -3.593 1.00 0.00 C ATOM 190 O LEU A 12 18.399 8.644 -4.088 1.00 0.00 O ATOM 191 CB LEU A 12 15.939 6.642 -4.796 1.00 0.00 C ATOM 192 CG LEU A 12 15.545 5.178 -5.028 1.00 0.00 C ATOM 193 CD1 LEU A 12 14.497 5.102 -6.130 1.00 0.00 C ATOM 194 CD2 LEU A 12 16.781 4.371 -5.393 1.00 0.00 C ATOM 195 H LEU A 12 15.094 6.499 -2.387 1.00 0.00 H ATOM 196 HA LEU A 12 17.694 6.246 -3.629 1.00 0.00 H ATOM 197 1HB LEU A 12 15.021 7.219 -4.690 1.00 0.00 H ATOM 198 2HB LEU A 12 16.461 6.990 -5.688 1.00 0.00 H ATOM 199 HG LEU A 12 15.102 4.772 -4.118 1.00 0.00 H ATOM 200 1HD1 LEU A 12 14.216 4.061 -6.294 1.00 0.00 H ATOM 201 2HD1 LEU A 12 13.615 5.671 -5.834 1.00 0.00 H ATOM 202 3HD1 LEU A 12 14.906 5.517 -7.050 1.00 0.00 H ATOM 203 1HD2 LEU A 12 16.501 3.329 -5.557 1.00 0.00 H ATOM 204 2HD2 LEU A 12 17.224 4.775 -6.303 1.00 0.00 H ATOM 205 3HD2 LEU A 12 17.506 4.428 -4.580 1.00 0.00 H ATOM 206 N GLU A 13 16.495 9.250 -3.053 1.00 0.00 N ATOM 207 CA GLU A 13 16.864 10.657 -2.953 1.00 0.00 C ATOM 208 C GLU A 13 18.015 10.856 -1.974 1.00 0.00 C ATOM 209 O GLU A 13 18.911 11.667 -2.211 1.00 0.00 O ATOM 210 CB GLU A 13 15.660 11.495 -2.517 1.00 0.00 C ATOM 211 CG GLU A 13 14.571 11.627 -3.573 1.00 0.00 C ATOM 212 CD GLU A 13 13.381 12.409 -3.091 1.00 0.00 C ATOM 213 OE1 GLU A 13 13.323 12.705 -1.922 1.00 0.00 O ATOM 214 OE2 GLU A 13 12.528 12.709 -3.893 1.00 0.00 O ATOM 215 H GLU A 13 15.596 8.951 -2.701 1.00 0.00 H ATOM 216 HA GLU A 13 17.179 11.003 -3.938 1.00 0.00 H ATOM 217 1HB GLU A 13 15.211 11.052 -1.628 1.00 0.00 H ATOM 218 2HB GLU A 13 15.992 12.498 -2.251 1.00 0.00 H ATOM 219 1HG GLU A 13 14.988 12.125 -4.448 1.00 0.00 H ATOM 220 2HG GLU A 13 14.249 10.632 -3.874 1.00 0.00 H ATOM 221 N LYS A 14 17.985 10.112 -0.874 1.00 0.00 N ATOM 222 CA LYS A 14 19.024 10.209 0.144 1.00 0.00 C ATOM 223 C LYS A 14 20.268 9.428 -0.260 1.00 0.00 C ATOM 224 O LYS A 14 21.387 9.802 0.087 1.00 0.00 O ATOM 225 CB LYS A 14 18.502 9.705 1.491 1.00 0.00 C ATOM 226 CG LYS A 14 17.456 10.605 2.136 1.00 0.00 C ATOM 227 CD LYS A 14 16.973 10.030 3.459 1.00 0.00 C ATOM 228 CE LYS A 14 15.929 10.928 4.106 1.00 0.00 C ATOM 229 NZ LYS A 14 15.443 10.375 5.399 1.00 0.00 N ATOM 230 H LYS A 14 17.224 9.462 -0.741 1.00 0.00 H ATOM 231 HA LYS A 14 19.294 11.259 0.265 1.00 0.00 H ATOM 232 1HB LYS A 14 18.060 8.717 1.364 1.00 0.00 H ATOM 233 2HB LYS A 14 19.333 9.605 2.189 1.00 0.00 H ATOM 234 1HG LYS A 14 17.884 11.592 2.313 1.00 0.00 H ATOM 235 2HG LYS A 14 16.605 10.713 1.464 1.00 0.00 H ATOM 236 1HD LYS A 14 16.538 9.044 3.291 1.00 0.00 H ATOM 237 2HD LYS A 14 17.818 9.923 4.140 1.00 0.00 H ATOM 238 1HE LYS A 14 16.357 11.913 4.284 1.00 0.00 H ATOM 239 2HE LYS A 14 15.080 11.042 3.433 1.00 0.00 H ATOM 240 1HZ LYS A 14 14.754 10.998 5.795 1.00 0.00 H ATOM 241 2HZ LYS A 14 15.026 9.468 5.243 1.00 0.00 H ATOM 242 3HZ LYS A 14 16.219 10.283 6.039 1.00 0.00 H ATOM 243 N GLY A 15 20.063 8.341 -0.997 1.00 0.00 N ATOM 244 CA GLY A 15 21.165 7.481 -1.416 1.00 0.00 C ATOM 245 C GLY A 15 21.506 6.460 -0.339 1.00 0.00 C ATOM 246 O GLY A 15 22.658 6.048 -0.203 1.00 0.00 O ATOM 247 H GLY A 15 19.122 8.104 -1.274 1.00 0.00 H ATOM 248 1HA GLY A 15 20.894 6.967 -2.338 1.00 0.00 H ATOM 249 2HA GLY A 15 22.040 8.092 -1.634 1.00 0.00 H ATOM 250 N LYS A 16 20.498 6.055 0.426 1.00 0.00 N ATOM 251 CA LYS A 16 20.696 5.104 1.514 1.00 0.00 C ATOM 252 C LYS A 16 19.944 3.806 1.255 1.00 0.00 C ATOM 253 O LYS A 16 18.715 3.766 1.322 1.00 0.00 O ATOM 254 CB LYS A 16 20.251 5.713 2.845 1.00 0.00 C ATOM 255 CG LYS A 16 20.919 7.039 3.185 1.00 0.00 C ATOM 256 CD LYS A 16 22.398 6.851 3.488 1.00 0.00 C ATOM 257 CE LYS A 16 23.040 8.153 3.944 1.00 0.00 C ATOM 258 NZ LYS A 16 24.495 7.992 4.213 1.00 0.00 N ATOM 259 H LYS A 16 19.571 6.415 0.250 1.00 0.00 H ATOM 260 HA LYS A 16 21.761 4.882 1.590 1.00 0.00 H ATOM 261 1HB LYS A 16 19.173 5.876 2.829 1.00 0.00 H ATOM 262 2HB LYS A 16 20.465 5.014 3.654 1.00 0.00 H ATOM 263 1HG LYS A 16 20.814 7.726 2.344 1.00 0.00 H ATOM 264 2HG LYS A 16 20.432 7.479 4.054 1.00 0.00 H ATOM 265 1HD LYS A 16 22.517 6.103 4.273 1.00 0.00 H ATOM 266 2HD LYS A 16 22.911 6.498 2.594 1.00 0.00 H ATOM 267 1HE LYS A 16 22.907 8.913 3.175 1.00 0.00 H ATOM 268 2HE LYS A 16 22.552 8.500 4.855 1.00 0.00 H ATOM 269 1HZ LYS A 16 24.882 8.875 4.513 1.00 0.00 H ATOM 270 2HZ LYS A 16 24.629 7.302 4.939 1.00 0.00 H ATOM 271 3HZ LYS A 16 24.962 7.689 3.371 1.00 0.00 H ATOM 272 N THR A 17 20.688 2.745 0.960 1.00 0.00 N ATOM 273 CA THR A 17 20.094 1.497 0.498 1.00 0.00 C ATOM 274 C THR A 17 19.125 0.933 1.528 1.00 0.00 C ATOM 275 O THR A 17 19.460 0.808 2.707 1.00 0.00 O ATOM 276 CB THR A 17 21.178 0.451 0.181 1.00 0.00 C ATOM 277 OG1 THR A 17 22.085 0.979 -0.796 1.00 0.00 O ATOM 278 CG2 THR A 17 20.548 -0.825 -0.356 1.00 0.00 C ATOM 279 H THR A 17 21.691 2.807 1.059 1.00 0.00 H ATOM 280 HA THR A 17 19.546 1.696 -0.424 1.00 0.00 H ATOM 281 HB THR A 17 21.737 0.219 1.088 1.00 0.00 H ATOM 282 HG1 THR A 17 22.724 1.550 -0.362 1.00 0.00 H ATOM 283 1HG2 THR A 17 21.329 -1.553 -0.574 1.00 0.00 H ATOM 284 2HG2 THR A 17 19.866 -1.236 0.389 1.00 0.00 H ATOM 285 3HG2 THR A 17 19.996 -0.602 -1.268 1.00 0.00 H ATOM 286 N ILE A 18 17.922 0.593 1.079 1.00 0.00 N ATOM 287 CA ILE A 18 16.912 0.013 1.956 1.00 0.00 C ATOM 288 C ILE A 18 16.231 -1.181 1.298 1.00 0.00 C ATOM 289 O ILE A 18 16.042 -1.208 0.082 1.00 0.00 O ATOM 290 CB ILE A 18 15.853 1.062 2.342 1.00 0.00 C ATOM 291 CG1 ILE A 18 14.937 0.516 3.441 1.00 0.00 C ATOM 292 CG2 ILE A 18 15.041 1.471 1.122 1.00 0.00 C ATOM 293 CD1 ILE A 18 14.093 1.575 4.113 1.00 0.00 C ATOM 294 H ILE A 18 17.701 0.741 0.104 1.00 0.00 H ATOM 295 HA ILE A 18 17.400 -0.324 2.871 1.00 0.00 H ATOM 296 HB ILE A 18 16.345 1.943 2.751 1.00 0.00 H ATOM 297 1HG1 ILE A 18 14.270 -0.235 3.019 1.00 0.00 H ATOM 298 2HG1 ILE A 18 15.539 0.025 4.205 1.00 0.00 H ATOM 299 1HG2 ILE A 18 14.296 2.212 1.413 1.00 0.00 H ATOM 300 2HG2 ILE A 18 15.703 1.898 0.371 1.00 0.00 H ATOM 301 3HG2 ILE A 18 14.539 0.596 0.709 1.00 0.00 H ATOM 302 1HD1 ILE A 18 13.472 1.111 4.880 1.00 0.00 H ATOM 303 2HD1 ILE A 18 14.743 2.320 4.574 1.00 0.00 H ATOM 304 3HD1 ILE A 18 13.456 2.056 3.373 1.00 0.00 H ATOM 305 N ILE A 19 15.865 -2.168 2.109 1.00 0.00 N ATOM 306 CA ILE A 19 15.151 -3.340 1.616 1.00 0.00 C ATOM 307 C ILE A 19 13.669 -3.267 1.960 1.00 0.00 C ATOM 308 O ILE A 19 13.291 -3.305 3.132 1.00 0.00 O ATOM 309 CB ILE A 19 15.750 -4.634 2.198 1.00 0.00 C ATOM 310 CG1 ILE A 19 17.269 -4.652 2.005 1.00 0.00 C ATOM 311 CG2 ILE A 19 15.113 -5.853 1.550 1.00 0.00 C ATOM 312 CD1 ILE A 19 17.702 -4.529 0.562 1.00 0.00 C ATOM 313 H ILE A 19 16.088 -2.104 3.093 1.00 0.00 H ATOM 314 HA ILE A 19 15.257 -3.378 0.531 1.00 0.00 H ATOM 315 HB ILE A 19 15.569 -4.668 3.272 1.00 0.00 H ATOM 316 1HG1 ILE A 19 17.717 -3.834 2.568 1.00 0.00 H ATOM 317 2HG1 ILE A 19 17.675 -5.583 2.403 1.00 0.00 H ATOM 318 1HG2 ILE A 19 15.548 -6.759 1.972 1.00 0.00 H ATOM 319 2HG2 ILE A 19 14.040 -5.845 1.737 1.00 0.00 H ATOM 320 3HG2 ILE A 19 15.294 -5.830 0.475 1.00 0.00 H ATOM 321 1HD1 ILE A 19 18.791 -4.550 0.506 1.00 0.00 H ATOM 322 2HD1 ILE A 19 17.293 -5.359 -0.014 1.00 0.00 H ATOM 323 3HD1 ILE A 19 17.338 -3.588 0.152 1.00 0.00 H ATOM 324 N LEU A 20 12.833 -3.161 0.934 1.00 0.00 N ATOM 325 CA LEU A 20 11.406 -2.932 1.127 1.00 0.00 C ATOM 326 C LEU A 20 10.575 -3.939 0.343 1.00 0.00 C ATOM 327 O LEU A 20 10.615 -3.968 -0.887 1.00 0.00 O ATOM 328 CB LEU A 20 11.035 -1.508 0.696 1.00 0.00 C ATOM 329 CG LEU A 20 11.726 -0.377 1.469 1.00 0.00 C ATOM 330 CD1 LEU A 20 11.514 0.942 0.738 1.00 0.00 C ATOM 331 CD2 LEU A 20 11.168 -0.315 2.883 1.00 0.00 C ATOM 332 H LEU A 20 13.196 -3.242 -0.006 1.00 0.00 H ATOM 333 HA LEU A 20 11.179 -3.042 2.188 1.00 0.00 H ATOM 334 1HB LEU A 20 11.283 -1.388 -0.358 1.00 0.00 H ATOM 335 2HB LEU A 20 9.959 -1.379 0.811 1.00 0.00 H ATOM 336 HG LEU A 20 12.798 -0.567 1.510 1.00 0.00 H ATOM 337 1HD1 LEU A 20 12.005 1.745 1.288 1.00 0.00 H ATOM 338 2HD1 LEU A 20 11.939 0.875 -0.263 1.00 0.00 H ATOM 339 3HD1 LEU A 20 10.447 1.151 0.667 1.00 0.00 H ATOM 340 1HD2 LEU A 20 11.659 0.488 3.433 1.00 0.00 H ATOM 341 2HD2 LEU A 20 10.095 -0.124 2.843 1.00 0.00 H ATOM 342 3HD2 LEU A 20 11.349 -1.264 3.388 1.00 0.00 H ATOM 343 N ASN A 21 9.822 -4.765 1.062 1.00 0.00 N ATOM 344 CA ASN A 21 8.964 -5.762 0.433 1.00 0.00 C ATOM 345 C ASN A 21 9.772 -6.712 -0.441 1.00 0.00 C ATOM 346 O ASN A 21 9.309 -7.143 -1.497 1.00 0.00 O ATOM 347 CB ASN A 21 7.870 -5.090 -0.377 1.00 0.00 C ATOM 348 CG ASN A 21 6.674 -5.977 -0.579 1.00 0.00 C ATOM 349 OD1 ASN A 21 6.331 -6.786 0.290 1.00 0.00 O ATOM 350 ND2 ASN A 21 6.031 -5.842 -1.711 1.00 0.00 N ATOM 351 H ASN A 21 9.844 -4.700 2.070 1.00 0.00 H ATOM 352 HA ASN A 21 8.498 -6.361 1.217 1.00 0.00 H ATOM 353 1HB ASN A 21 7.551 -4.178 0.129 1.00 0.00 H ATOM 354 2HB ASN A 21 8.264 -4.803 -1.352 1.00 0.00 H ATOM 355 1HD2 ASN A 21 5.227 -6.406 -1.901 1.00 0.00 H ATOM 356 2HD2 ASN A 21 6.344 -5.174 -2.387 1.00 0.00 H ATOM 357 N GLY A 22 10.982 -7.033 0.004 1.00 0.00 N ATOM 358 CA GLY A 22 11.806 -8.029 -0.671 1.00 0.00 C ATOM 359 C GLY A 22 12.638 -7.397 -1.778 1.00 0.00 C ATOM 360 O GLY A 22 13.503 -8.046 -2.367 1.00 0.00 O ATOM 361 H GLY A 22 11.340 -6.577 0.830 1.00 0.00 H ATOM 362 1HA GLY A 22 12.463 -8.509 0.055 1.00 0.00 H ATOM 363 2HA GLY A 22 11.168 -8.807 -1.089 1.00 0.00 H ATOM 364 N LEU A 23 12.372 -6.126 -2.058 1.00 0.00 N ATOM 365 CA LEU A 23 13.051 -5.421 -3.140 1.00 0.00 C ATOM 366 C LEU A 23 14.181 -4.550 -2.605 1.00 0.00 C ATOM 367 O LEU A 23 14.028 -3.875 -1.587 1.00 0.00 O ATOM 368 CB LEU A 23 12.052 -4.554 -3.917 1.00 0.00 C ATOM 369 CG LEU A 23 12.632 -3.774 -5.105 1.00 0.00 C ATOM 370 CD1 LEU A 23 11.625 -3.766 -6.247 1.00 0.00 C ATOM 371 CD2 LEU A 23 12.972 -2.358 -4.666 1.00 0.00 C ATOM 372 H LEU A 23 11.682 -5.634 -1.510 1.00 0.00 H ATOM 373 HA LEU A 23 13.473 -6.160 -3.823 1.00 0.00 H ATOM 374 1HB LEU A 23 11.258 -5.194 -4.297 1.00 0.00 H ATOM 375 2HB LEU A 23 11.611 -3.831 -3.230 1.00 0.00 H ATOM 376 HG LEU A 23 13.535 -4.271 -5.460 1.00 0.00 H ATOM 377 1HD1 LEU A 23 12.036 -3.213 -7.091 1.00 0.00 H ATOM 378 2HD1 LEU A 23 11.414 -4.791 -6.554 1.00 0.00 H ATOM 379 3HD1 LEU A 23 10.703 -3.289 -5.916 1.00 0.00 H ATOM 380 1HD2 LEU A 23 13.385 -1.804 -5.510 1.00 0.00 H ATOM 381 2HD2 LEU A 23 12.069 -1.860 -4.311 1.00 0.00 H ATOM 382 3HD2 LEU A 23 13.707 -2.393 -3.861 1.00 0.00 H ATOM 383 N THR A 24 15.314 -4.568 -3.298 1.00 0.00 N ATOM 384 CA THR A 24 16.449 -3.731 -2.931 1.00 0.00 C ATOM 385 C THR A 24 16.377 -2.373 -3.619 1.00 0.00 C ATOM 386 O THR A 24 16.346 -2.288 -4.847 1.00 0.00 O ATOM 387 CB THR A 24 17.781 -4.419 -3.283 1.00 0.00 C ATOM 388 OG1 THR A 24 17.896 -5.647 -2.552 1.00 0.00 O ATOM 389 CG2 THR A 24 18.956 -3.516 -2.937 1.00 0.00 C ATOM 390 H THR A 24 15.391 -5.178 -4.099 1.00 0.00 H ATOM 391 HA THR A 24 16.432 -3.577 -1.852 1.00 0.00 H ATOM 392 HB THR A 24 17.805 -4.643 -4.349 1.00 0.00 H ATOM 393 HG1 THR A 24 17.274 -6.288 -2.905 1.00 0.00 H ATOM 394 1HG2 THR A 24 19.888 -4.019 -3.193 1.00 0.00 H ATOM 395 2HG2 THR A 24 18.878 -2.586 -3.500 1.00 0.00 H ATOM 396 3HG2 THR A 24 18.943 -3.296 -1.871 1.00 0.00 H ATOM 397 N VAL A 25 16.350 -1.312 -2.819 1.00 0.00 N ATOM 398 CA VAL A 25 16.304 0.046 -3.350 1.00 0.00 C ATOM 399 C VAL A 25 17.681 0.695 -3.320 1.00 0.00 C ATOM 400 O VAL A 25 18.164 1.102 -2.264 1.00 0.00 O ATOM 401 CB VAL A 25 15.318 0.905 -2.537 1.00 0.00 C ATOM 402 CG1 VAL A 25 15.274 2.325 -3.081 1.00 0.00 C ATOM 403 CG2 VAL A 25 13.935 0.273 -2.566 1.00 0.00 C ATOM 404 H VAL A 25 16.362 -1.449 -1.819 1.00 0.00 H ATOM 405 HA VAL A 25 15.960 0.002 -4.385 1.00 0.00 H ATOM 406 HB VAL A 25 15.668 0.967 -1.506 1.00 0.00 H ATOM 407 1HG1 VAL A 25 14.572 2.918 -2.495 1.00 0.00 H ATOM 408 2HG1 VAL A 25 16.266 2.770 -3.017 1.00 0.00 H ATOM 409 3HG1 VAL A 25 14.950 2.306 -4.122 1.00 0.00 H ATOM 410 1HG2 VAL A 25 13.242 0.885 -1.989 1.00 0.00 H ATOM 411 2HG2 VAL A 25 13.587 0.206 -3.597 1.00 0.00 H ATOM 412 3HG2 VAL A 25 13.982 -0.727 -2.133 1.00 0.00 H ATOM 413 N THR A 26 18.310 0.791 -4.487 1.00 0.00 N ATOM 414 CA THR A 26 19.699 1.226 -4.576 1.00 0.00 C ATOM 415 C THR A 26 19.918 2.125 -5.785 1.00 0.00 C ATOM 416 O THR A 26 19.136 2.106 -6.736 1.00 0.00 O ATOM 417 CB THR A 26 20.654 0.020 -4.647 1.00 0.00 C ATOM 418 OG1 THR A 26 22.011 0.482 -4.644 1.00 0.00 O ATOM 419 CG2 THR A 26 20.400 -0.787 -5.911 1.00 0.00 C ATOM 420 H THR A 26 17.813 0.556 -5.334 1.00 0.00 H ATOM 421 HA THR A 26 19.944 1.787 -3.673 1.00 0.00 H ATOM 422 HB THR A 26 20.499 -0.618 -3.778 1.00 0.00 H ATOM 423 HG1 THR A 26 22.575 -0.188 -4.250 1.00 0.00 H ATOM 424 1HG2 THR A 26 21.083 -1.635 -5.945 1.00 0.00 H ATOM 425 2HG2 THR A 26 19.372 -1.149 -5.911 1.00 0.00 H ATOM 426 3HG2 THR A 26 20.562 -0.156 -6.784 1.00 0.00 H ATOM 427 N LEU A 27 20.987 2.914 -5.743 1.00 0.00 N ATOM 428 CA LEU A 27 21.356 3.765 -6.868 1.00 0.00 C ATOM 429 C LEU A 27 22.398 3.088 -7.751 1.00 0.00 C ATOM 430 O LEU A 27 22.862 3.665 -8.734 1.00 0.00 O ATOM 431 CB LEU A 27 21.900 5.107 -6.362 1.00 0.00 C ATOM 432 CG LEU A 27 20.915 5.963 -5.556 1.00 0.00 C ATOM 433 CD1 LEU A 27 21.631 7.197 -5.025 1.00 0.00 C ATOM 434 CD2 LEU A 27 19.739 6.350 -6.440 1.00 0.00 C ATOM 435 H LEU A 27 21.557 2.926 -4.909 1.00 0.00 H ATOM 436 HA LEU A 27 20.464 3.956 -7.466 1.00 0.00 H ATOM 437 1HB LEU A 27 22.766 4.914 -5.730 1.00 0.00 H ATOM 438 2HB LEU A 27 22.226 5.695 -7.220 1.00 0.00 H ATOM 439 HG LEU A 27 20.554 5.392 -4.700 1.00 0.00 H ATOM 440 1HD1 LEU A 27 20.931 7.805 -4.452 1.00 0.00 H ATOM 441 2HD1 LEU A 27 22.455 6.891 -4.381 1.00 0.00 H ATOM 442 3HD1 LEU A 27 22.018 7.780 -5.859 1.00 0.00 H ATOM 443 1HD2 LEU A 27 19.038 6.958 -5.866 1.00 0.00 H ATOM 444 2HD2 LEU A 27 20.099 6.922 -7.295 1.00 0.00 H ATOM 445 3HD2 LEU A 27 19.235 5.450 -6.791 1.00 0.00 H ATOM 446 N GLU A 28 22.760 1.860 -7.393 1.00 0.00 N ATOM 447 CA GLU A 28 23.717 1.086 -8.176 1.00 0.00 C ATOM 448 C GLU A 28 23.131 0.684 -9.522 1.00 0.00 C ATOM 449 O GLU A 28 23.839 0.630 -10.527 1.00 0.00 O ATOM 450 CB GLU A 28 24.152 -0.162 -7.404 1.00 0.00 C ATOM 451 CG GLU A 28 25.023 0.122 -6.188 1.00 0.00 C ATOM 452 CD GLU A 28 25.405 -1.124 -5.439 1.00 0.00 C ATOM 453 OE1 GLU A 28 24.882 -2.167 -5.751 1.00 0.00 O ATOM 454 OE2 GLU A 28 26.222 -1.033 -4.553 1.00 0.00 O ATOM 455 H GLU A 28 22.363 1.452 -6.559 1.00 0.00 H ATOM 456 HA GLU A 28 24.600 1.703 -8.349 1.00 0.00 H ATOM 457 1HB GLU A 28 23.270 -0.705 -7.064 1.00 0.00 H ATOM 458 2HB GLU A 28 24.708 -0.824 -8.067 1.00 0.00 H ATOM 459 1HG GLU A 28 25.931 0.628 -6.515 1.00 0.00 H ATOM 460 2HG GLU A 28 24.487 0.793 -5.519 1.00 0.00 H ATOM 461 N ILE A 29 21.833 0.400 -9.535 1.00 0.00 N ATOM 462 CA ILE A 29 21.158 -0.046 -10.749 1.00 0.00 C ATOM 463 C ILE A 29 20.293 1.062 -11.336 1.00 0.00 C ATOM 464 O ILE A 29 19.211 1.355 -10.826 1.00 0.00 O ATOM 465 CB ILE A 29 20.288 -1.285 -10.471 1.00 0.00 C ATOM 466 CG1 ILE A 29 21.136 -2.410 -9.872 1.00 0.00 C ATOM 467 CG2 ILE A 29 19.603 -1.751 -11.746 1.00 0.00 C ATOM 468 CD1 ILE A 29 20.323 -3.533 -9.269 1.00 0.00 C ATOM 469 H ILE A 29 21.300 0.495 -8.683 1.00 0.00 H ATOM 470 HA ILE A 29 21.915 -0.325 -11.482 1.00 0.00 H ATOM 471 HB ILE A 29 19.527 -1.036 -9.731 1.00 0.00 H ATOM 472 1HG1 ILE A 29 21.779 -2.830 -10.645 1.00 0.00 H ATOM 473 2HG1 ILE A 29 21.783 -2.003 -9.095 1.00 0.00 H ATOM 474 1HG2 ILE A 29 18.992 -2.628 -11.531 1.00 0.00 H ATOM 475 2HG2 ILE A 29 18.969 -0.953 -12.131 1.00 0.00 H ATOM 476 3HG2 ILE A 29 20.356 -2.007 -12.491 1.00 0.00 H ATOM 477 1HD1 ILE A 29 20.994 -4.292 -8.866 1.00 0.00 H ATOM 478 2HD1 ILE A 29 19.697 -3.139 -8.468 1.00 0.00 H ATOM 479 3HD1 ILE A 29 19.693 -3.979 -10.038 1.00 0.00 H ATOM 480 N GLU A 30 20.776 1.675 -12.412 1.00 0.00 N ATOM 481 CA GLU A 30 20.159 2.883 -12.946 1.00 0.00 C ATOM 482 C GLU A 30 18.757 2.600 -13.471 1.00 0.00 C ATOM 483 O GLU A 30 17.844 3.407 -13.294 1.00 0.00 O ATOM 484 CB GLU A 30 21.022 3.474 -14.062 1.00 0.00 C ATOM 485 CG GLU A 30 22.341 4.070 -13.589 1.00 0.00 C ATOM 486 CD GLU A 30 23.172 4.620 -14.714 1.00 0.00 C ATOM 487 OE1 GLU A 30 22.801 4.432 -15.848 1.00 0.00 O ATOM 488 OE2 GLU A 30 24.178 5.230 -14.440 1.00 0.00 O ATOM 489 H GLU A 30 21.591 1.295 -12.871 1.00 0.00 H ATOM 490 HA GLU A 30 20.091 3.621 -12.145 1.00 0.00 H ATOM 491 1HB GLU A 30 21.249 2.700 -14.796 1.00 0.00 H ATOM 492 2HB GLU A 30 20.466 4.259 -14.576 1.00 0.00 H ATOM 493 1HG GLU A 30 22.132 4.872 -12.881 1.00 0.00 H ATOM 494 2HG GLU A 30 22.908 3.300 -13.067 1.00 0.00 H ATOM 495 N GLU A 31 18.593 1.451 -14.116 1.00 0.00 N ATOM 496 CA GLU A 31 17.304 1.066 -14.680 1.00 0.00 C ATOM 497 C GLU A 31 16.252 0.907 -13.591 1.00 0.00 C ATOM 498 O GLU A 31 15.083 1.237 -13.791 1.00 0.00 O ATOM 499 CB GLU A 31 17.436 -0.238 -15.470 1.00 0.00 C ATOM 500 CG GLU A 31 18.322 -0.138 -16.704 1.00 0.00 C ATOM 501 CD GLU A 31 19.785 -0.265 -16.385 1.00 0.00 C ATOM 502 OE1 GLU A 31 20.111 -0.437 -15.235 1.00 0.00 O ATOM 503 OE2 GLU A 31 20.579 -0.190 -17.293 1.00 0.00 O ATOM 504 H GLU A 31 19.381 0.828 -14.218 1.00 0.00 H ATOM 505 HA GLU A 31 16.981 1.848 -15.368 1.00 0.00 H ATOM 506 1HB GLU A 31 17.847 -1.014 -14.824 1.00 0.00 H ATOM 507 2HB GLU A 31 16.449 -0.569 -15.792 1.00 0.00 H ATOM 508 1HG GLU A 31 18.044 -0.928 -17.402 1.00 0.00 H ATOM 509 2HG GLU A 31 18.142 0.819 -17.191 1.00 0.00 H ATOM 510 N LEU A 32 16.673 0.401 -12.437 1.00 0.00 N ATOM 511 CA LEU A 32 15.763 0.179 -11.320 1.00 0.00 C ATOM 512 C LEU A 32 15.358 1.495 -10.669 1.00 0.00 C ATOM 513 O LEU A 32 14.217 1.661 -10.240 1.00 0.00 O ATOM 514 CB LEU A 32 16.418 -0.735 -10.277 1.00 0.00 C ATOM 515 CG LEU A 32 15.559 -1.066 -9.049 1.00 0.00 C ATOM 516 CD1 LEU A 32 14.267 -1.736 -9.497 1.00 0.00 C ATOM 517 CD2 LEU A 32 16.344 -1.967 -8.108 1.00 0.00 C ATOM 518 H LEU A 32 17.649 0.164 -12.332 1.00 0.00 H ATOM 519 HA LEU A 32 14.866 -0.316 -11.697 1.00 0.00 H ATOM 520 1HB LEU A 32 16.684 -1.675 -10.757 1.00 0.00 H ATOM 521 2HB LEU A 32 17.332 -0.260 -9.923 1.00 0.00 H ATOM 522 HG LEU A 32 15.294 -0.143 -8.532 1.00 0.00 H ATOM 523 1HD1 LEU A 32 13.657 -1.970 -8.625 1.00 0.00 H ATOM 524 2HD1 LEU A 32 13.717 -1.062 -10.154 1.00 0.00 H ATOM 525 3HD1 LEU A 32 14.502 -2.655 -10.034 1.00 0.00 H ATOM 526 1HD2 LEU A 32 15.734 -2.201 -7.235 1.00 0.00 H ATOM 527 2HD2 LEU A 32 16.609 -2.890 -8.624 1.00 0.00 H ATOM 528 3HD2 LEU A 32 17.253 -1.456 -7.789 1.00 0.00 H ATOM 529 N VAL A 33 16.301 2.428 -10.597 1.00 0.00 N ATOM 530 CA VAL A 33 16.045 3.731 -9.995 1.00 0.00 C ATOM 531 C VAL A 33 14.937 4.471 -10.733 1.00 0.00 C ATOM 532 O VAL A 33 14.034 5.033 -10.113 1.00 0.00 O ATOM 533 CB VAL A 33 17.326 4.586 -10.007 1.00 0.00 C ATOM 534 CG1 VAL A 33 17.018 6.013 -9.581 1.00 0.00 C ATOM 535 CG2 VAL A 33 18.372 3.965 -9.094 1.00 0.00 C ATOM 536 H VAL A 33 17.219 2.230 -10.971 1.00 0.00 H ATOM 537 HA VAL A 33 15.736 3.579 -8.960 1.00 0.00 H ATOM 538 HB VAL A 33 17.712 4.631 -11.026 1.00 0.00 H ATOM 539 1HG1 VAL A 33 17.934 6.604 -9.596 1.00 0.00 H ATOM 540 2HG1 VAL A 33 16.294 6.450 -10.269 1.00 0.00 H ATOM 541 3HG1 VAL A 33 16.605 6.011 -8.573 1.00 0.00 H ATOM 542 1HG2 VAL A 33 19.275 4.574 -9.108 1.00 0.00 H ATOM 543 2HG2 VAL A 33 17.984 3.914 -8.077 1.00 0.00 H ATOM 544 3HG2 VAL A 33 18.608 2.959 -9.443 1.00 0.00 H ATOM 545 N GLU A 34 15.012 4.468 -12.058 1.00 0.00 N ATOM 546 CA GLU A 34 14.002 5.120 -12.885 1.00 0.00 C ATOM 547 C GLU A 34 12.638 4.465 -12.707 1.00 0.00 C ATOM 548 O GLU A 34 11.617 5.147 -12.628 1.00 0.00 O ATOM 549 CB GLU A 34 14.410 5.078 -14.359 1.00 0.00 C ATOM 550 CG GLU A 34 15.588 5.976 -14.711 1.00 0.00 C ATOM 551 CD GLU A 34 15.951 5.920 -16.169 1.00 0.00 C ATOM 552 OE1 GLU A 34 15.433 5.075 -16.859 1.00 0.00 O ATOM 553 OE2 GLU A 34 16.747 6.725 -16.593 1.00 0.00 O ATOM 554 H GLU A 34 15.787 4.002 -12.507 1.00 0.00 H ATOM 555 HA GLU A 34 13.930 6.165 -12.582 1.00 0.00 H ATOM 556 1HB GLU A 34 14.674 4.057 -14.635 1.00 0.00 H ATOM 557 2HB GLU A 34 13.565 5.377 -14.979 1.00 0.00 H ATOM 558 1HG GLU A 34 15.338 7.004 -14.450 1.00 0.00 H ATOM 559 2HG GLU A 34 16.449 5.678 -14.115 1.00 0.00 H ATOM 560 N HIS A 35 12.629 3.137 -12.647 1.00 0.00 N ATOM 561 CA HIS A 35 11.399 2.390 -12.415 1.00 0.00 C ATOM 562 C HIS A 35 10.780 2.751 -11.071 1.00 0.00 C ATOM 563 O HIS A 35 9.596 3.078 -10.989 1.00 0.00 O ATOM 564 CB HIS A 35 11.663 0.882 -12.474 1.00 0.00 C ATOM 565 CG HIS A 35 10.506 0.050 -12.013 1.00 0.00 C ATOM 566 ND1 HIS A 35 9.366 -0.120 -12.769 1.00 0.00 N ATOM 567 CD2 HIS A 35 10.313 -0.657 -10.875 1.00 0.00 C ATOM 568 CE1 HIS A 35 8.521 -0.899 -12.115 1.00 0.00 C ATOM 569 NE2 HIS A 35 9.072 -1.237 -10.964 1.00 0.00 N ATOM 570 H HIS A 35 13.496 2.633 -12.763 1.00 0.00 H ATOM 571 HA HIS A 35 10.688 2.638 -13.205 1.00 0.00 H ATOM 572 1HB HIS A 35 11.904 0.594 -13.497 1.00 0.00 H ATOM 573 2HB HIS A 35 12.526 0.639 -11.854 1.00 0.00 H ATOM 574 HD1 HIS A 35 9.219 0.212 -13.701 1.00 0.00 H ATOM 575 HD2 HIS A 35 10.929 -0.818 -9.990 1.00 0.00 H ATOM 576 HE1 HIS A 35 7.554 -1.156 -12.548 1.00 0.00 H ATOM 577 N LEU A 36 11.587 2.688 -10.017 1.00 0.00 N ATOM 578 CA LEU A 36 11.089 2.866 -8.658 1.00 0.00 C ATOM 579 C LEU A 36 10.549 4.275 -8.450 1.00 0.00 C ATOM 580 O LEU A 36 9.510 4.464 -7.817 1.00 0.00 O ATOM 581 CB LEU A 36 12.205 2.584 -7.644 1.00 0.00 C ATOM 582 CG LEU A 36 12.642 1.118 -7.526 1.00 0.00 C ATOM 583 CD1 LEU A 36 13.878 1.026 -6.642 1.00 0.00 C ATOM 584 CD2 LEU A 36 11.499 0.292 -6.956 1.00 0.00 C ATOM 585 H LEU A 36 12.571 2.512 -10.161 1.00 0.00 H ATOM 586 HA LEU A 36 10.282 2.152 -8.489 1.00 0.00 H ATOM 587 1HB LEU A 36 13.081 3.169 -7.920 1.00 0.00 H ATOM 588 2HB LEU A 36 11.870 2.910 -6.660 1.00 0.00 H ATOM 589 HG LEU A 36 12.908 0.737 -8.513 1.00 0.00 H ATOM 590 1HD1 LEU A 36 14.189 -0.015 -6.558 1.00 0.00 H ATOM 591 2HD1 LEU A 36 14.686 1.610 -7.084 1.00 0.00 H ATOM 592 3HD1 LEU A 36 13.647 1.416 -5.652 1.00 0.00 H ATOM 593 1HD2 LEU A 36 11.809 -0.750 -6.873 1.00 0.00 H ATOM 594 2HD2 LEU A 36 11.233 0.671 -5.969 1.00 0.00 H ATOM 595 3HD2 LEU A 36 10.635 0.361 -7.617 1.00 0.00 H ATOM 596 N ARG A 37 11.260 5.261 -8.986 1.00 0.00 N ATOM 597 CA ARG A 37 10.873 6.657 -8.829 1.00 0.00 C ATOM 598 C ARG A 37 9.593 6.964 -9.596 1.00 0.00 C ATOM 599 O ARG A 37 8.714 7.670 -9.099 1.00 0.00 O ATOM 600 CB ARG A 37 11.984 7.578 -9.312 1.00 0.00 C ATOM 601 CG ARG A 37 13.216 7.615 -8.422 1.00 0.00 C ATOM 602 CD ARG A 37 14.261 8.519 -8.968 1.00 0.00 C ATOM 603 NE ARG A 37 15.411 8.615 -8.084 1.00 0.00 N ATOM 604 CZ ARG A 37 16.584 9.190 -8.414 1.00 0.00 C ATOM 605 NH1 ARG A 37 16.746 9.714 -9.609 1.00 0.00 N ATOM 606 NH2 ARG A 37 17.571 9.228 -7.536 1.00 0.00 N ATOM 607 H ARG A 37 12.090 5.038 -9.516 1.00 0.00 H ATOM 608 HA ARG A 37 10.701 6.851 -7.769 1.00 0.00 H ATOM 609 1HB ARG A 37 12.304 7.270 -10.306 1.00 0.00 H ATOM 610 2HB ARG A 37 11.603 8.596 -9.391 1.00 0.00 H ATOM 611 1HG ARG A 37 12.938 7.972 -7.430 1.00 0.00 H ATOM 612 2HG ARG A 37 13.638 6.612 -8.342 1.00 0.00 H ATOM 613 1HD ARG A 37 14.602 8.140 -9.931 1.00 0.00 H ATOM 614 2HD ARG A 37 13.846 9.518 -9.098 1.00 0.00 H ATOM 615 HE ARG A 37 15.324 8.223 -7.156 1.00 0.00 H ATOM 616 1HH1 ARG A 37 15.991 9.686 -10.279 1.00 0.00 H ATOM 617 2HH1 ARG A 37 17.625 10.145 -9.856 1.00 0.00 H ATOM 618 1HH2 ARG A 37 17.447 8.825 -6.618 1.00 0.00 H ATOM 619 2HH2 ARG A 37 18.450 9.658 -7.784 1.00 0.00 H ATOM 620 N THR A 38 9.493 6.429 -10.807 1.00 0.00 N ATOM 621 CA THR A 38 8.318 6.641 -11.644 1.00 0.00 C ATOM 622 C THR A 38 7.065 6.077 -10.989 1.00 0.00 C ATOM 623 O THR A 38 6.018 6.724 -10.965 1.00 0.00 O ATOM 624 CB THR A 38 8.506 6.005 -13.034 1.00 0.00 C ATOM 625 OG1 THR A 38 9.623 6.614 -13.694 1.00 0.00 O ATOM 626 CG2 THR A 38 7.257 6.194 -13.880 1.00 0.00 C ATOM 627 H THR A 38 10.251 5.861 -11.159 1.00 0.00 H ATOM 628 HA THR A 38 8.185 7.715 -11.788 1.00 0.00 H ATOM 629 HB THR A 38 8.705 4.939 -12.922 1.00 0.00 H ATOM 630 HG1 THR A 38 10.440 6.265 -13.328 1.00 0.00 H ATOM 631 1HG2 THR A 38 7.407 5.737 -14.859 1.00 0.00 H ATOM 632 2HG2 THR A 38 6.408 5.722 -13.386 1.00 0.00 H ATOM 633 3HG2 THR A 38 7.058 7.258 -14.004 1.00 0.00 H ATOM 634 N LYS A 39 7.178 4.864 -10.456 1.00 0.00 N ATOM 635 CA LYS A 39 6.043 4.191 -9.835 1.00 0.00 C ATOM 636 C LYS A 39 5.496 4.999 -8.665 1.00 0.00 C ATOM 637 O LYS A 39 4.294 5.248 -8.579 1.00 0.00 O ATOM 638 CB LYS A 39 6.441 2.791 -9.367 1.00 0.00 C ATOM 639 CG LYS A 39 5.308 1.993 -8.735 1.00 0.00 C ATOM 640 CD LYS A 39 5.759 0.586 -8.370 1.00 0.00 C ATOM 641 CE LYS A 39 4.621 -0.221 -7.763 1.00 0.00 C ATOM 642 NZ LYS A 39 5.053 -1.593 -7.383 1.00 0.00 N ATOM 643 H LYS A 39 8.072 4.397 -10.481 1.00 0.00 H ATOM 644 HA LYS A 39 5.255 4.082 -10.582 1.00 0.00 H ATOM 645 1HB LYS A 39 6.821 2.218 -10.214 1.00 0.00 H ATOM 646 2HB LYS A 39 7.246 2.866 -8.635 1.00 0.00 H ATOM 647 1HG LYS A 39 4.965 2.500 -7.832 1.00 0.00 H ATOM 648 2HG LYS A 39 4.475 1.929 -9.433 1.00 0.00 H ATOM 649 1HD LYS A 39 6.119 0.076 -9.265 1.00 0.00 H ATOM 650 2HD LYS A 39 6.577 0.641 -7.652 1.00 0.00 H ATOM 651 1HE LYS A 39 4.248 0.288 -6.876 1.00 0.00 H ATOM 652 2HE LYS A 39 3.805 -0.297 -8.482 1.00 0.00 H ATOM 653 1HZ LYS A 39 4.272 -2.095 -6.986 1.00 0.00 H ATOM 654 2HZ LYS A 39 5.385 -2.082 -8.203 1.00 0.00 H ATOM 655 3HZ LYS A 39 5.797 -1.536 -6.702 1.00 0.00 H ATOM 656 N VAL A 40 6.386 5.405 -7.766 1.00 0.00 N ATOM 657 CA VAL A 40 5.982 6.086 -6.541 1.00 0.00 C ATOM 658 C VAL A 40 5.337 7.431 -6.846 1.00 0.00 C ATOM 659 O VAL A 40 4.336 7.803 -6.231 1.00 0.00 O ATOM 660 CB VAL A 40 7.200 6.300 -5.623 1.00 0.00 C ATOM 661 CG1 VAL A 40 6.819 7.160 -4.427 1.00 0.00 C ATOM 662 CG2 VAL A 40 7.748 4.956 -5.168 1.00 0.00 C ATOM 663 H VAL A 40 7.368 5.239 -7.936 1.00 0.00 H ATOM 664 HA VAL A 40 5.256 5.458 -6.021 1.00 0.00 H ATOM 665 HB VAL A 40 7.969 6.840 -6.175 1.00 0.00 H ATOM 666 1HG1 VAL A 40 7.692 7.302 -3.788 1.00 0.00 H ATOM 667 2HG1 VAL A 40 6.464 8.130 -4.774 1.00 0.00 H ATOM 668 3HG1 VAL A 40 6.032 6.666 -3.859 1.00 0.00 H ATOM 669 1HG2 VAL A 40 8.609 5.116 -4.520 1.00 0.00 H ATOM 670 2HG2 VAL A 40 6.977 4.415 -4.621 1.00 0.00 H ATOM 671 3HG2 VAL A 40 8.052 4.374 -6.038 1.00 0.00 H ATOM 672 N ARG A 41 5.915 8.157 -7.796 1.00 0.00 N ATOM 673 CA ARG A 41 5.474 9.514 -8.097 1.00 0.00 C ATOM 674 C ARG A 41 4.106 9.513 -8.768 1.00 0.00 C ATOM 675 O ARG A 41 3.308 10.429 -8.572 1.00 0.00 O ATOM 676 CB ARG A 41 6.478 10.215 -9.000 1.00 0.00 C ATOM 677 CG ARG A 41 7.786 10.599 -8.325 1.00 0.00 C ATOM 678 CD ARG A 41 8.790 11.080 -9.308 1.00 0.00 C ATOM 679 NE ARG A 41 10.019 11.511 -8.661 1.00 0.00 N ATOM 680 CZ ARG A 41 11.198 11.676 -9.291 1.00 0.00 C ATOM 681 NH1 ARG A 41 11.293 11.442 -10.581 1.00 0.00 N ATOM 682 NH2 ARG A 41 12.261 12.072 -8.612 1.00 0.00 N ATOM 683 H ARG A 41 6.679 7.760 -8.322 1.00 0.00 H ATOM 684 HA ARG A 41 5.404 10.071 -7.162 1.00 0.00 H ATOM 685 1HB ARG A 41 6.720 9.571 -9.844 1.00 0.00 H ATOM 686 2HB ARG A 41 6.034 11.126 -9.400 1.00 0.00 H ATOM 687 1HG ARG A 41 7.603 11.395 -7.604 1.00 0.00 H ATOM 688 2HG ARG A 41 8.198 9.730 -7.810 1.00 0.00 H ATOM 689 1HD ARG A 41 9.035 10.275 -10.001 1.00 0.00 H ATOM 690 2HD ARG A 41 8.382 11.924 -9.861 1.00 0.00 H ATOM 691 HE ARG A 41 9.986 11.701 -7.668 1.00 0.00 H ATOM 692 1HH1 ARG A 41 10.481 11.138 -11.100 1.00 0.00 H ATOM 693 2HH1 ARG A 41 12.177 11.565 -11.053 1.00 0.00 H ATOM 694 1HH2 ARG A 41 12.188 12.252 -7.620 1.00 0.00 H ATOM 695 2HH2 ARG A 41 13.144 12.196 -9.084 1.00 0.00 H ATOM 696 N ARG A 42 3.842 8.480 -9.560 1.00 0.00 N ATOM 697 CA ARG A 42 2.595 8.387 -10.308 1.00 0.00 C ATOM 698 C ARG A 42 1.437 7.986 -9.403 1.00 0.00 C ATOM 699 O ARG A 42 0.307 8.439 -9.586 1.00 0.00 O ATOM 700 CB ARG A 42 2.724 7.378 -11.440 1.00 0.00 C ATOM 701 CG ARG A 42 3.538 7.855 -12.632 1.00 0.00 C ATOM 702 CD ARG A 42 3.589 6.832 -13.707 1.00 0.00 C ATOM 703 NE ARG A 42 4.296 7.314 -14.883 1.00 0.00 N ATOM 704 CZ ARG A 42 4.547 6.576 -15.981 1.00 0.00 C ATOM 705 NH1 ARG A 42 4.143 5.326 -16.039 1.00 0.00 N ATOM 706 NH2 ARG A 42 5.200 7.107 -17.000 1.00 0.00 N ATOM 707 H ARG A 42 4.523 7.738 -9.644 1.00 0.00 H ATOM 708 HA ARG A 42 2.378 9.364 -10.741 1.00 0.00 H ATOM 709 1HB ARG A 42 3.190 6.469 -11.065 1.00 0.00 H ATOM 710 2HB ARG A 42 1.732 7.111 -11.804 1.00 0.00 H ATOM 711 1HG ARG A 42 3.089 8.760 -13.041 1.00 0.00 H ATOM 712 2HG ARG A 42 4.559 8.068 -12.314 1.00 0.00 H ATOM 713 1HD ARG A 42 4.103 5.944 -13.341 1.00 0.00 H ATOM 714 2HD ARG A 42 2.575 6.566 -14.005 1.00 0.00 H ATOM 715 HE ARG A 42 4.622 8.271 -14.875 1.00 0.00 H ATOM 716 1HH1 ARG A 42 3.645 4.919 -15.261 1.00 0.00 H ATOM 717 2HH1 ARG A 42 4.332 4.772 -16.863 1.00 0.00 H ATOM 718 1HH2 ARG A 42 5.510 8.068 -16.955 1.00 0.00 H ATOM 719 2HH2 ARG A 42 5.388 6.554 -17.823 1.00 0.00 H ATOM 720 N ILE A 43 1.725 7.133 -8.426 1.00 0.00 N ATOM 721 CA ILE A 43 0.696 6.617 -7.531 1.00 0.00 C ATOM 722 C ILE A 43 0.297 7.658 -6.493 1.00 0.00 C ATOM 723 O ILE A 43 1.107 8.497 -6.098 1.00 0.00 O ATOM 724 OXT ILE A 43 -0.818 7.667 -6.050 1.00 0.00 O ATOM 725 CB ILE A 43 1.177 5.339 -6.820 1.00 0.00 C ATOM 726 CG1 ILE A 43 1.411 4.218 -7.836 1.00 0.00 C ATOM 727 CG2 ILE A 43 0.169 4.905 -5.767 1.00 0.00 C ATOM 728 CD1 ILE A 43 2.154 3.029 -7.273 1.00 0.00 C ATOM 729 H ILE A 43 2.681 6.833 -8.300 1.00 0.00 H ATOM 730 HA ILE A 43 -0.183 6.361 -8.125 1.00 0.00 H ATOM 731 HB ILE A 43 2.134 5.531 -6.336 1.00 0.00 H ATOM 732 1HG1 ILE A 43 0.453 3.871 -8.222 1.00 0.00 H ATOM 733 2HG1 ILE A 43 1.981 4.606 -8.681 1.00 0.00 H ATOM 734 1HG2 ILE A 43 0.525 4.000 -5.275 1.00 0.00 H ATOM 735 2HG2 ILE A 43 0.051 5.697 -5.029 1.00 0.00 H ATOM 736 3HG2 ILE A 43 -0.791 4.706 -6.243 1.00 0.00 H ATOM 737 1HD1 ILE A 43 2.283 2.277 -8.053 1.00 0.00 H ATOM 738 2HD1 ILE A 43 3.133 3.348 -6.913 1.00 0.00 H ATOM 739 3HD1 ILE A 43 1.585 2.602 -6.449 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE start11_0084_0002.pdb label fa_atr fa_rep fa_sol fa_intra_atr_xover4 fa_intra_rep_xover4 fa_intra_sol_xover4 lk_ball lk_ball_iso lk_ball_bridge lk_ball_bridge_uncpl fa_elec fa_intra_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun_dev fa_dun_rot fa_dun_semi p_aa_pp hxl_tors ref rama_prepro gen_bonded total weights 1 0.55 1 1 0.55 1 0.92 -0.38 -0.33 -0.33 1 1 1.25 1 1 1 1 1.25 0.48 0.69 0.76 0.78 0.61 1 1 0.5 1 NA pose -224.965 27.5832 151.174 -16.6303 11.2351 11.5597 78.6524 -90.0452 -0.32817 -2.33319 -52.5971 -13.8364 0 -25.62 -4.11817 -1.58779 0 0 0.80472 4.02991 26.0059 31.8463 -11.4677 9.31107 -25.1128 -1.99247 0 -118.432 ASP:NtermProteinFull_1 -3.35527 0.26647 3.55365 -0.29281 0.06298 1.02389 1.31597 -1.65171 -0.02106 -0.13172 -1.2452 -2.75492 0 0 0 0 0 0 0.10688 0.27509 0 2.44351 0 0 -2.3716 0 0 -2.77585 GLU_2 -3.32407 0.13016 4.20979 -0.2162 0.02644 0.29671 1.33224 -1.82301 -0 -0 -0.9428 -0.59425 0 0 0 0 0 0 -0.03678 0.03449 0 3.01283 -0.30565 0 -2.7348 -0.23423 0 -1.16915 GLU_3 -3.7106 0.29384 4.47926 -0.46143 0.21629 1.44316 1.40944 -2.05993 -0.05062 -0.28934 -1.28662 -2.7442 0 0 0 0 0 0 -0.00223 0.00914 0 3.92873 -0.17545 0 -2.7348 -0.33968 0 -2.07505 LEU_4 -6.6363 0.84562 3.89828 -0.49261 0.37422 0.11322 2.14415 -2.43567 -0.02956 -0.15762 -1.02935 0.24921 0 0 0 0 0 0 -0.01548 0.21353 0.53403 0 -0.23712 0 0.18072 0.0112 0 -2.46952 LEU_5 -8.60105 1.29875 4.20012 -0.49608 0.40612 0.11484 2.45706 -2.92826 -0 -0 -1.82362 0.25554 0 0 0 0 0 0 0.02366 0.16422 0.46585 0 -0.24771 0 0.18072 0.20122 0 -4.32864 LYS_6 -4.81454 0.29336 5.69184 -0.30512 0.02822 0.13608 2.30941 -2.55823 -0 -0 -1.89164 -0.01319 0 0 0 0 0 0 -0.03457 0.0156 1.7712 0 0.00614 0 -1.5107 0.00848 0 -0.86766 LEU_7 -6.44452 0.70014 4.26713 -0.49964 0.41257 0.12215 2.37301 -2.6355 -0.00024 -0.00452 -1.92363 0.22379 0 0 0 0 0 0 0.01826 0.28143 0.30386 0 -0.30298 0 0.18072 -0.13562 0 -3.0636 ILE_8 -9.06715 2.05906 3.05096 -0.50758 0.59506 0.09652 2.87864 -2.87084 -0 -0 -1.67641 0.23242 0 0 0 0 0 0 0.07884 0.20782 0.4443 0 -0.37091 0 0.73287 0.49148 0 -3.62492 LEU_9 -7.3515 0.70594 4.91745 -0.71731 0.52696 0.28918 2.37885 -2.74954 -0 -0 -1.69695 0.1553 0 0 0 0 0 0 -0.03273 0.04071 0.92011 0 -0.24917 0 0.18072 0.60381 0 -2.07819 GLU_10 -5.25799 0.29653 6.46747 -0.21554 0.02664 0.29953 2.51523 -2.88841 -0.01183 -0.12904 -2.12481 -0.60073 0 0 0 0 0 0 0.00153 0.03387 0 3.02095 -0.26475 0 -2.7348 -0.15194 0 -1.71808 ALA_11 -5.59122 0.55611 4.35043 -0.0221 0 0 3.37353 -2.8316 -0 -0 -3.38269 -0.36122 0 0 0 0 0 0 -0.05551 0 0 0 -0.2625 0 1.8394 -0.33222 0 -2.7196 LEU_12 -9.45933 1.36757 2.82037 -0.50757 0.51927 0.12149 2.5565 -2.7971 -0 -0 -0.78818 0.24194 0 0 0 0 0 0 0.19376 0.0577 0.36973 0 -0.28428 0 0.18072 -0.18972 0 -5.59714 GLU_13 -3.88737 0.13643 4.60525 -0.21471 0.02928 0.30047 1.4845 -2.0228 -0.02921 -0.27347 -0.72532 -0.58935 0 0 0 0 0 0 -0.01086 0.01084 0 3.03595 -0.27797 0 -2.7348 -0.27501 0 -1.43816 LYS_14 -3.70361 0.14626 3.84409 -0.30648 0.02949 0.14453 1.2245 -1.65489 -0 -0 -0.77842 -0.09212 0 0 0 0 0 0 -0.04256 0.00752 1.98601 0 -0.15556 0 -1.5107 -0.34719 0 -1.20911 GLY_15 -2.57545 0.2466 2.65442 -5e-05 0 0 1.14316 -1.36374 -0.00599 -0.01912 -0.78842 -0.38914 0 0 0 0 0 0 -0.14008 0 0 0 -1.42758 0 0.83697 -0.10817 0 -1.93659 LYS_16 -3.17543 0.18632 3.39152 -0.52694 0.25528 0.33003 1.2695 -1.52954 -0.02168 -0.15063 -0.77846 -0.15168 0 0 0 0 0 0 0.2383 0.0586 2.38604 0 0.36704 0 -1.5107 0.24084 0 0.87842 THR_17 -2.53524 0.24371 1.24723 -0.17264 0.09776 0.06064 0.34645 -0.91897 -0.01654 -0.09535 -0.62739 0.19355 0 0 0 0 0 0 -0.06403 0.01787 0.0461 0 0.04394 2.32255 -1.0874 0.27117 0 -0.62657 ILE_18 -6.40331 1.20753 1.97905 -0.55879 0.66958 0.11143 2.24661 -1.94669 -0.00223 -0.00615 -1.42523 0.06861 0 0 0 0 0 0 -0.02498 0.04828 1.18013 0 -0.19209 0 0.73287 0.08787 0 -2.22749 ILE_19 -4.23053 0.46942 1.09073 -0.66887 0.94225 0.13833 0.57047 -1.32973 -0.00056 -0.00227 -0.13634 0.33301 0 0 0 0 0 0 0.06853 0.21815 0.97034 0 -0.61743 0 0.73287 -0.18806 0 -1.63968 LEU_20 -7.95159 1.91149 2.16517 -0.47922 0.32506 0.11108 1.96843 -2.18381 -0.00223 -0.00615 -1.29648 -0.03841 0 0 0 0 0 0 0.01132 0.14376 1.0705 0 -0.11167 0 0.18072 0.01574 0 -4.16631 ASN_21 -2.06875 0.393 1.56833 -0.36225 0.08615 0.73823 0.5207 -0.90211 -0.00056 -0.00227 0.49088 -0.8519 0 0 0 0 0 0 0.13879 0.08805 0 1.80923 -0.96953 0 -0.93687 -0.01942 0 -0.28027 GLY_22 -1.27088 0.17367 1.42964 -6e-05 0 0 0.183 -0.78209 -0.00521 -0.07748 0.01161 -0.41226 0 0 0 0 0 0 -0.10661 0 0 0 -1.48274 0 0.83697 -0.65121 0 -2.15365 LEU_23 -5.525 0.79806 3.25383 -0.63218 0.63959 0.213 2.30439 -2.33548 -0 -0 -1.73347 0.09501 0 0 0 0 0 0 -0.01561 0.53436 1.3359 0 -0.36509 0 0.18072 -0.53869 0 -1.79066 THR_24 -4.064 0.52896 1.16072 -0.18106 0.12815 0.06815 0.6757 -1.36484 -0.00521 -0.07748 -0.30891 -0.15165 0 0 0 0 0 0 -0.00654 0.00265 0.0682 0 0.13617 2.29098 -1.0874 -0.05427 0 -2.24165 VAL_25 -7.81432 1.49406 0.566 -0.29468 0.23619 0.07289 2.2449 -2.06031 -0.03137 -0.22013 -1.70453 -0.38893 0 0 0 0 0 0 0.08655 7e-05 0.143 0 -0.25633 0 1.9342 0.14984 0 -5.8429 THR_26 -5.24386 0.22527 2.75181 -0.2192 0.15086 0.08879 1.80363 -1.89145 -0.0026 -0.01555 -0.41163 -1.26833 0 0 0 -0.79389 0 0 0.00156 0.10773 1.31355 0 -0.17676 2.40468 -1.0874 -0.12378 0 -2.38656 LEU_27 -4.38675 0.79099 0.78144 -0.53094 0.58159 0.15282 0.58575 -1.21966 -0 -0 0.10144 0.11416 0 0 0 0 0 0 0.0199 0.01299 0.14793 0 -0.15695 0 0.18072 -0.42524 0 -3.2498 GLU_28 -2.52211 0.14835 2.48225 -0.21649 0.02863 0.30375 1.00025 -1.09413 -0 -0 -0.35694 -0.59432 0 0 0 -0.79389 0 0 -0.05295 0.00943 0 3.04276 -0.34058 0 -2.7348 -0.48822 0 -2.179 ILE_29 -5.10503 0.76652 3.47522 -0.50699 0.57673 0.12933 2.33818 -2.08192 -0.00174 -0.00882 -0.81242 -0.16935 0 0 0 0 0 0 0.16004 0.2038 0.27524 0 -0.391 0 0.73287 -0.21197 0 -0.6313 GLU_30 -3.35671 0.15639 4.00254 -0.21521 0.02872 0.2985 1.34613 -1.86705 -0 -0 -0.79563 -0.59063 0 0 0 0 0 0 -0.0307 0.00793 0 3.0159 -0.26911 0 -2.7348 -0.17553 0 -1.17926 GLU_31 -3.33817 0.11303 3.9362 -0.45939 0.20878 1.42912 1.22592 -1.86705 -0.03607 -0.25858 -1.20965 -2.86989 0 0 0 0 0 0 -0.05286 0.00881 0 4.00647 -0.32993 0 -2.7348 -0.44899 0 -2.67706 LEU_32 -7.05666 0.96137 3.90934 -0.72348 0.61069 0.30694 2.86625 -2.58343 -0.02675 -0.14324 -1.68151 0.13356 0 0 0 0 0 0 0.00349 0.05609 1.15479 0 -0.27846 0 0.18072 -0.28867 0 -2.59895 VAL_33 -8.09536 1.44627 4.41553 -0.31035 0.26694 0.07027 3.06013 -3.1181 -0 -0 -2.31124 -0.0277 0 0 0 0 0 0 -0.01812 0.00064 0.05373 0 -0.26288 0 1.9342 0.16799 0 -2.72806 GLU_34 -4.00287 0.1308 4.97574 -0.21363 0.02607 0.29016 2.19901 -2.27806 -0.00932 -0.11534 -2.33588 -0.5757 0 0 0 0 0 0 0.15783 0.0395 0 3.01671 -0.20682 0 -2.7348 0.06427 0 -1.57233 HIS_D_35 -5.01636 0.18976 5.13092 -0.74939 0.01959 0.79286 2.2968 -2.47849 -0 -0 -1.95177 -0.30948 0 0 0 0 0 0 0.16419 0.37635 0 1.5133 -0.26311 0 -0.45461 0.25756 0 -0.48185 LEU_36 -8.94285 1.82424 2.68357 -0.50978 0.64357 0.12068 2.52284 -2.65225 -0 -0 -2.28826 0.27204 0 0 0 0 0 0 -0.04311 0.01024 0.40289 0 -0.26492 0 0.18072 0.43707 0 -5.60331 ARG_37 -8.62061 0.85842 7.01207 -0.43988 0.06206 0.2163 2.77774 -3.4349 -0 -0 -2.36475 0.37614 0 0 0 0 0 0 0.01019 0.05488 2.06379 0 -0.05547 0 -1.2888 0.0217 0 -2.7511 THR_38 -5.16261 0.40924 5.7256 -0.20548 0.16211 0.07518 2.64936 -2.66312 -0 -0 -3.08168 -0.12139 0 0 0 0 0 0 -0.03074 0.00081 0.08165 0 -0.00643 2.29285 -1.0874 0.27851 0 -0.68356 LYS_39 -5.57294 0.4497 4.83638 -0.41168 0.06013 0.20905 2.29583 -2.44218 -0 -0 -1.91213 -0.06272 0 0 0 0 0 0 0.08087 0.03383 1.89429 0 0.08092 0 -1.5107 0.54843 0 -1.42291 VAL_40 -7.35146 1.33162 3.2317 -0.31287 0.28043 0.07164 2.05259 -2.47963 -0 -0 -0.13184 -0.12231 0 0 0 0 0 0 0.15782 0.00563 0.18802 0 -0.23401 0 1.9342 0.3108 0 -1.06767 ARG_41 -4.8781 0.1957 4.6725 -0.44927 0.08529 0.2295 1.55802 -2.13785 -0.01762 -0.14895 -0.67363 0.33145 0 0 0 0 0 0 -0.05173 0.29655 2.01237 0 -0.16137 0 -1.2888 -0.10334 0 -0.52929 ARG_42 -3.57539 0.36615 3.56915 -0.43747 0.04805 0.21775 1.34335 -1.6377 -0 -0 -0.90784 0.32682 0 0 0 0 0 0 -0.04881 0.29989 2.01245 0 -0.14758 0 -1.2888 -0.23774 0 -0.09773 ILE:CtermProteinFull_43 -3.91839 0.47031 2.71972 -0.58687 0.76134 0.2115 1.50432 -1.49348 -0 -0 0.14067 -0.59318 0 0 0 0 0 0 0 0.04105 0.40989 0 0 0 0.73287 -0.09154 0 0.30822 #END_POSE_ENERGIES_TABLE start11_0084_0002.pdb score_per_res -2.27317 total_score -97.7464
HEEH_KT_rd6_1655.pdb
ATOM 1 N ASP A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA ASP A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C ASP A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O ASP A 1 1.347 2.353 -0.456 1.00 0.00 O ATOM 5 CB ASP A 1 1.994 -0.762 -1.214 1.00 0.00 C ATOM 6 CG ASP A 1 1.683 -2.252 -1.164 1.00 0.00 C ATOM 7 OD1 ASP A 1 1.299 -2.723 -0.120 1.00 0.00 O ATOM 8 OD2 ASP A 1 1.834 -2.903 -2.170 1.00 0.00 O ATOM 9 1H ASP A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 10 2H ASP A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 11 3H ASP A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 12 HA ASP A 1 1.804 -0.509 0.900 1.00 0.00 H ATOM 13 1HB ASP A 1 1.562 -0.346 -2.125 1.00 0.00 H ATOM 14 2HB ASP A 1 3.075 -0.633 -1.276 1.00 0.00 H ATOM 15 N ILE A 2 3.224 1.579 0.514 1.00 0.00 N ATOM 16 CA ILE A 2 3.799 2.900 0.729 1.00 0.00 C ATOM 17 C ILE A 2 4.111 3.587 -0.594 1.00 0.00 C ATOM 18 O ILE A 2 3.795 4.761 -0.786 1.00 0.00 O ATOM 19 CB ILE A 2 5.081 2.810 1.576 1.00 0.00 C ATOM 20 CG1 ILE A 2 4.755 2.311 2.987 1.00 0.00 C ATOM 21 CG2 ILE A 2 5.778 4.161 1.634 1.00 0.00 C ATOM 22 CD1 ILE A 2 3.821 3.219 3.754 1.00 0.00 C ATOM 23 H ILE A 2 3.763 0.761 0.763 1.00 0.00 H ATOM 24 HA ILE A 2 3.076 3.508 1.275 1.00 0.00 H ATOM 25 HB ILE A 2 5.759 2.080 1.134 1.00 0.00 H ATOM 26 1HG1 ILE A 2 4.299 1.324 2.927 1.00 0.00 H ATOM 27 2HG1 ILE A 2 5.677 2.210 3.560 1.00 0.00 H ATOM 28 1HG2 ILE A 2 6.681 4.079 2.237 1.00 0.00 H ATOM 29 2HG2 ILE A 2 6.042 4.476 0.625 1.00 0.00 H ATOM 30 3HG2 ILE A 2 5.109 4.896 2.080 1.00 0.00 H ATOM 31 1HD1 ILE A 2 3.637 2.800 4.744 1.00 0.00 H ATOM 32 2HD1 ILE A 2 4.274 4.205 3.857 1.00 0.00 H ATOM 33 3HD1 ILE A 2 2.877 3.307 3.218 1.00 0.00 H ATOM 34 N GLU A 3 4.735 2.847 -1.506 1.00 0.00 N ATOM 35 CA GLU A 3 5.213 3.418 -2.759 1.00 0.00 C ATOM 36 C GLU A 3 4.074 4.059 -3.542 1.00 0.00 C ATOM 37 O GLU A 3 4.256 5.089 -4.191 1.00 0.00 O ATOM 38 CB GLU A 3 5.889 2.341 -3.611 1.00 0.00 C ATOM 39 CG GLU A 3 7.175 1.785 -3.018 1.00 0.00 C ATOM 40 CD GLU A 3 6.931 0.718 -1.988 1.00 0.00 C ATOM 41 OE1 GLU A 3 5.790 0.417 -1.731 1.00 0.00 O ATOM 42 OE2 GLU A 3 7.886 0.202 -1.458 1.00 0.00 O ATOM 43 H GLU A 3 4.881 1.865 -1.325 1.00 0.00 H ATOM 44 HA GLU A 3 5.954 4.184 -2.531 1.00 0.00 H ATOM 45 1HB GLU A 3 5.201 1.509 -3.759 1.00 0.00 H ATOM 46 2HB GLU A 3 6.123 2.750 -4.594 1.00 0.00 H ATOM 47 1HG GLU A 3 7.782 1.367 -3.820 1.00 0.00 H ATOM 48 2HG GLU A 3 7.735 2.601 -2.563 1.00 0.00 H ATOM 49 N GLU A 4 2.898 3.444 -3.477 1.00 0.00 N ATOM 50 CA GLU A 4 1.725 3.957 -4.174 1.00 0.00 C ATOM 51 C GLU A 4 1.181 5.205 -3.488 1.00 0.00 C ATOM 52 O GLU A 4 0.697 6.126 -4.147 1.00 0.00 O ATOM 53 CB GLU A 4 0.635 2.885 -4.244 1.00 0.00 C ATOM 54 CG GLU A 4 0.963 1.714 -5.158 1.00 0.00 C ATOM 55 CD GLU A 4 -0.128 0.681 -5.201 1.00 0.00 C ATOM 56 OE1 GLU A 4 -0.942 0.667 -4.309 1.00 0.00 O ATOM 57 OE2 GLU A 4 -0.149 -0.095 -6.127 1.00 0.00 O ATOM 58 H GLU A 4 2.816 2.597 -2.932 1.00 0.00 H ATOM 59 HA GLU A 4 2.012 4.216 -5.194 1.00 0.00 H ATOM 60 1HB GLU A 4 0.449 2.489 -3.246 1.00 0.00 H ATOM 61 2HB GLU A 4 -0.294 3.334 -4.596 1.00 0.00 H ATOM 62 1HG GLU A 4 1.131 2.090 -6.167 1.00 0.00 H ATOM 63 2HG GLU A 4 1.886 1.247 -4.816 1.00 0.00 H ATOM 64 N LEU A 5 1.263 5.229 -2.162 1.00 0.00 N ATOM 65 CA LEU A 5 0.773 6.361 -1.385 1.00 0.00 C ATOM 66 C LEU A 5 1.641 7.595 -1.601 1.00 0.00 C ATOM 67 O LEU A 5 1.134 8.711 -1.712 1.00 0.00 O ATOM 68 CB LEU A 5 0.741 6.005 0.107 1.00 0.00 C ATOM 69 CG LEU A 5 -0.318 4.976 0.522 1.00 0.00 C ATOM 70 CD1 LEU A 5 -0.084 4.562 1.969 1.00 0.00 C ATOM 71 CD2 LEU A 5 -1.706 5.574 0.342 1.00 0.00 C ATOM 72 H LEU A 5 1.675 4.442 -1.681 1.00 0.00 H ATOM 73 HA LEU A 5 -0.243 6.589 -1.707 1.00 0.00 H ATOM 74 1HB LEU A 5 1.715 5.611 0.391 1.00 0.00 H ATOM 75 2HB LEU A 5 0.560 6.916 0.677 1.00 0.00 H ATOM 76 HG LEU A 5 -0.224 4.085 -0.099 1.00 0.00 H ATOM 77 1HD1 LEU A 5 -0.837 3.830 2.264 1.00 0.00 H ATOM 78 2HD1 LEU A 5 0.907 4.120 2.065 1.00 0.00 H ATOM 79 3HD1 LEU A 5 -0.157 5.437 2.614 1.00 0.00 H ATOM 80 1HD2 LEU A 5 -2.458 4.842 0.637 1.00 0.00 H ATOM 81 2HD2 LEU A 5 -1.802 6.464 0.964 1.00 0.00 H ATOM 82 3HD2 LEU A 5 -1.853 5.844 -0.704 1.00 0.00 H ATOM 83 N VAL A 6 2.952 7.386 -1.661 1.00 0.00 N ATOM 84 CA VAL A 6 3.890 8.472 -1.918 1.00 0.00 C ATOM 85 C VAL A 6 3.722 9.023 -3.329 1.00 0.00 C ATOM 86 O VAL A 6 3.715 10.236 -3.535 1.00 0.00 O ATOM 87 CB VAL A 6 5.338 7.983 -1.731 1.00 0.00 C ATOM 88 CG1 VAL A 6 6.322 9.030 -2.230 1.00 0.00 C ATOM 89 CG2 VAL A 6 5.590 7.662 -0.266 1.00 0.00 C ATOM 90 H VAL A 6 3.308 6.451 -1.525 1.00 0.00 H ATOM 91 HA VAL A 6 3.694 9.273 -1.204 1.00 0.00 H ATOM 92 HB VAL A 6 5.490 7.087 -2.332 1.00 0.00 H ATOM 93 1HG1 VAL A 6 7.341 8.668 -2.090 1.00 0.00 H ATOM 94 2HG1 VAL A 6 6.147 9.218 -3.289 1.00 0.00 H ATOM 95 3HG1 VAL A 6 6.187 9.955 -1.669 1.00 0.00 H ATOM 96 1HG2 VAL A 6 6.616 7.316 -0.140 1.00 0.00 H ATOM 97 2HG2 VAL A 6 5.433 8.557 0.336 1.00 0.00 H ATOM 98 3HG2 VAL A 6 4.902 6.881 0.059 1.00 0.00 H ATOM 99 N THR A 7 3.588 8.123 -4.297 1.00 0.00 N ATOM 100 CA THR A 7 3.342 8.516 -5.679 1.00 0.00 C ATOM 101 C THR A 7 2.028 9.275 -5.812 1.00 0.00 C ATOM 102 O THR A 7 1.946 10.273 -6.528 1.00 0.00 O ATOM 103 CB THR A 7 3.326 7.290 -6.610 1.00 0.00 C ATOM 104 OG1 THR A 7 4.595 6.625 -6.550 1.00 0.00 O ATOM 105 CG2 THR A 7 3.046 7.711 -8.044 1.00 0.00 C ATOM 106 H THR A 7 3.657 7.142 -4.069 1.00 0.00 H ATOM 107 HA THR A 7 4.156 9.166 -6.004 1.00 0.00 H ATOM 108 HB THR A 7 2.552 6.595 -6.283 1.00 0.00 H ATOM 109 HG1 THR A 7 4.656 6.125 -5.733 1.00 0.00 H ATOM 110 1HG2 THR A 7 3.038 6.832 -8.687 1.00 0.00 H ATOM 111 2HG2 THR A 7 2.076 8.207 -8.094 1.00 0.00 H ATOM 112 3HG2 THR A 7 3.822 8.398 -8.379 1.00 0.00 H ATOM 113 N TRP A 8 1.002 8.797 -5.116 1.00 0.00 N ATOM 114 CA TRP A 8 -0.317 9.415 -5.174 1.00 0.00 C ATOM 115 C TRP A 8 -0.231 10.920 -4.951 1.00 0.00 C ATOM 116 O TRP A 8 -0.618 11.708 -5.814 1.00 0.00 O ATOM 117 CB TRP A 8 -1.244 8.793 -4.128 1.00 0.00 C ATOM 118 CG TRP A 8 -2.661 9.271 -4.225 1.00 0.00 C ATOM 119 CD1 TRP A 8 -3.644 8.755 -5.015 1.00 0.00 C ATOM 120 CD2 TRP A 8 -3.265 10.370 -3.500 1.00 0.00 C ATOM 121 NE1 TRP A 8 -4.812 9.454 -4.836 1.00 0.00 N ATOM 122 CE2 TRP A 8 -4.599 10.445 -3.911 1.00 0.00 C ATOM 123 CE3 TRP A 8 -2.788 11.282 -2.551 1.00 0.00 C ATOM 124 CZ2 TRP A 8 -5.469 11.399 -3.407 1.00 0.00 C ATOM 125 CZ3 TRP A 8 -3.661 12.238 -2.044 1.00 0.00 C ATOM 126 CH2 TRP A 8 -4.967 12.294 -2.462 1.00 0.00 C ATOM 127 H TRP A 8 1.140 7.984 -4.532 1.00 0.00 H ATOM 128 HA TRP A 8 -0.742 9.232 -6.161 1.00 0.00 H ATOM 129 1HB TRP A 8 -1.240 7.709 -4.238 1.00 0.00 H ATOM 130 2HB TRP A 8 -0.872 9.023 -3.130 1.00 0.00 H ATOM 131 HD1 TRP A 8 -3.520 7.911 -5.691 1.00 0.00 H ATOM 132 HE1 TRP A 8 -5.686 9.270 -5.307 1.00 0.00 H ATOM 133 HE3 TRP A 8 -1.753 11.241 -2.214 1.00 0.00 H ATOM 134 HZ2 TRP A 8 -6.510 11.460 -3.726 1.00 0.00 H ATOM 135 HZ3 TRP A 8 -3.282 12.945 -1.306 1.00 0.00 H ATOM 136 HH2 TRP A 8 -5.625 13.056 -2.044 1.00 0.00 H ATOM 137 N ILE A 9 0.280 11.312 -3.789 1.00 0.00 N ATOM 138 CA ILE A 9 0.252 12.709 -3.373 1.00 0.00 C ATOM 139 C ILE A 9 1.131 13.569 -4.272 1.00 0.00 C ATOM 140 O ILE A 9 0.817 14.730 -4.537 1.00 0.00 O ATOM 141 CB ILE A 9 0.713 12.856 -1.911 1.00 0.00 C ATOM 142 CG1 ILE A 9 0.446 14.276 -1.407 1.00 0.00 C ATOM 143 CG2 ILE A 9 2.188 12.510 -1.781 1.00 0.00 C ATOM 144 CD1 ILE A 9 0.473 14.405 0.099 1.00 0.00 C ATOM 145 H ILE A 9 0.697 10.625 -3.178 1.00 0.00 H ATOM 146 HA ILE A 9 -0.776 13.070 -3.439 1.00 0.00 H ATOM 147 HB ILE A 9 0.135 12.183 -1.278 1.00 0.00 H ATOM 148 1HG1 ILE A 9 1.191 14.955 -1.821 1.00 0.00 H ATOM 149 2HG1 ILE A 9 -0.531 14.610 -1.759 1.00 0.00 H ATOM 150 1HG2 ILE A 9 2.497 12.619 -0.742 1.00 0.00 H ATOM 151 2HG2 ILE A 9 2.350 11.481 -2.101 1.00 0.00 H ATOM 152 3HG2 ILE A 9 2.776 13.181 -2.407 1.00 0.00 H ATOM 153 1HD1 ILE A 9 0.275 15.440 0.380 1.00 0.00 H ATOM 154 2HD1 ILE A 9 -0.291 13.759 0.534 1.00 0.00 H ATOM 155 3HD1 ILE A 9 1.453 14.110 0.472 1.00 0.00 H ATOM 156 N ARG A 10 2.235 12.994 -4.737 1.00 0.00 N ATOM 157 CA ARG A 10 3.162 13.708 -5.606 1.00 0.00 C ATOM 158 C ARG A 10 2.503 14.086 -6.926 1.00 0.00 C ATOM 159 O ARG A 10 2.737 15.169 -7.461 1.00 0.00 O ATOM 160 CB ARG A 10 4.396 12.860 -5.883 1.00 0.00 C ATOM 161 CG ARG A 10 5.373 12.755 -4.723 1.00 0.00 C ATOM 162 CD ARG A 10 6.508 11.852 -5.041 1.00 0.00 C ATOM 163 NE ARG A 10 7.524 11.870 -4.001 1.00 0.00 N ATOM 164 CZ ARG A 10 8.588 11.045 -3.957 1.00 0.00 C ATOM 165 NH1 ARG A 10 8.762 10.145 -4.899 1.00 0.00 N ATOM 166 NH2 ARG A 10 9.458 11.141 -2.966 1.00 0.00 N ATOM 167 H ARG A 10 2.435 12.037 -4.484 1.00 0.00 H ATOM 168 HA ARG A 10 3.478 14.621 -5.099 1.00 0.00 H ATOM 169 1HB ARG A 10 4.090 11.850 -6.148 1.00 0.00 H ATOM 170 2HB ARG A 10 4.937 13.273 -6.734 1.00 0.00 H ATOM 171 1HG ARG A 10 5.775 13.743 -4.495 1.00 0.00 H ATOM 172 2HG ARG A 10 4.857 12.362 -3.846 1.00 0.00 H ATOM 173 1HD ARG A 10 6.142 10.830 -5.143 1.00 0.00 H ATOM 174 2HD ARG A 10 6.972 12.165 -5.976 1.00 0.00 H ATOM 175 HE ARG A 10 7.424 12.549 -3.258 1.00 0.00 H ATOM 176 1HH1 ARG A 10 8.097 10.071 -5.656 1.00 0.00 H ATOM 177 2HH1 ARG A 10 9.560 9.527 -4.866 1.00 0.00 H ATOM 178 1HH2 ARG A 10 9.325 11.833 -2.242 1.00 0.00 H ATOM 179 2HH2 ARG A 10 10.255 10.523 -2.933 1.00 0.00 H ATOM 180 N ARG A 11 1.675 13.185 -7.447 1.00 0.00 N ATOM 181 CA ARG A 11 1.043 13.387 -8.745 1.00 0.00 C ATOM 182 C ARG A 11 -0.266 14.154 -8.607 1.00 0.00 C ATOM 183 O ARG A 11 -0.592 14.999 -9.440 1.00 0.00 O ATOM 184 CB ARG A 11 0.776 12.052 -9.424 1.00 0.00 C ATOM 185 CG ARG A 11 2.019 11.316 -9.898 1.00 0.00 C ATOM 186 CD ARG A 11 1.676 10.043 -10.583 1.00 0.00 C ATOM 187 NE ARG A 11 2.861 9.343 -11.053 1.00 0.00 N ATOM 188 CZ ARG A 11 2.850 8.132 -11.642 1.00 0.00 C ATOM 189 NH1 ARG A 11 1.712 7.500 -11.826 1.00 0.00 N ATOM 190 NH2 ARG A 11 3.984 7.578 -12.034 1.00 0.00 N ATOM 191 H ARG A 11 1.481 12.339 -6.930 1.00 0.00 H ATOM 192 HA ARG A 11 1.722 13.964 -9.375 1.00 0.00 H ATOM 193 1HB ARG A 11 0.246 11.394 -8.737 1.00 0.00 H ATOM 194 2HB ARG A 11 0.134 12.207 -10.291 1.00 0.00 H ATOM 195 1HG ARG A 11 2.570 11.944 -10.598 1.00 0.00 H ATOM 196 2HG ARG A 11 2.653 11.083 -9.042 1.00 0.00 H ATOM 197 1HD ARG A 11 1.145 9.389 -9.892 1.00 0.00 H ATOM 198 2HD ARG A 11 1.041 10.254 -11.444 1.00 0.00 H ATOM 199 HE ARG A 11 3.756 9.798 -10.929 1.00 0.00 H ATOM 200 1HH1 ARG A 11 0.845 7.923 -11.526 1.00 0.00 H ATOM 201 2HH1 ARG A 11 1.704 6.592 -12.267 1.00 0.00 H ATOM 202 1HH2 ARG A 11 4.860 8.064 -11.893 1.00 0.00 H ATOM 203 2HH2 ARG A 11 3.977 6.670 -12.475 1.00 0.00 H ATOM 204 N VAL A 12 -1.012 13.855 -7.549 1.00 0.00 N ATOM 205 CA VAL A 12 -2.355 14.397 -7.381 1.00 0.00 C ATOM 206 C VAL A 12 -2.310 15.837 -6.885 1.00 0.00 C ATOM 207 O VAL A 12 -3.034 16.699 -7.384 1.00 0.00 O ATOM 208 CB VAL A 12 -3.158 13.539 -6.385 1.00 0.00 C ATOM 209 CG1 VAL A 12 -4.476 14.217 -6.040 1.00 0.00 C ATOM 210 CG2 VAL A 12 -3.399 12.156 -6.970 1.00 0.00 C ATOM 211 H VAL A 12 -0.640 13.236 -6.843 1.00 0.00 H ATOM 212 HA VAL A 12 -2.860 14.376 -8.347 1.00 0.00 H ATOM 213 HB VAL A 12 -2.591 13.449 -5.458 1.00 0.00 H ATOM 214 1HG1 VAL A 12 -5.030 13.596 -5.335 1.00 0.00 H ATOM 215 2HG1 VAL A 12 -4.278 15.189 -5.590 1.00 0.00 H ATOM 216 3HG1 VAL A 12 -5.065 14.348 -6.947 1.00 0.00 H ATOM 217 1HG2 VAL A 12 -3.966 11.555 -6.261 1.00 0.00 H ATOM 218 2HG2 VAL A 12 -3.961 12.247 -7.900 1.00 0.00 H ATOM 219 3HG2 VAL A 12 -2.442 11.674 -7.171 1.00 0.00 H ATOM 220 N GLY A 13 -1.454 16.092 -5.901 1.00 0.00 N ATOM 221 CA GLY A 13 -1.307 17.430 -5.341 1.00 0.00 C ATOM 222 C GLY A 13 -2.397 17.722 -4.318 1.00 0.00 C ATOM 223 O GLY A 13 -2.834 18.864 -4.170 1.00 0.00 O ATOM 224 H GLY A 13 -0.892 15.339 -5.530 1.00 0.00 H ATOM 225 1HA GLY A 13 -0.327 17.522 -4.872 1.00 0.00 H ATOM 226 2HA GLY A 13 -1.350 18.166 -6.143 1.00 0.00 H ATOM 227 N ARG A 14 -2.832 16.684 -3.611 1.00 0.00 N ATOM 228 CA ARG A 14 -3.850 16.833 -2.578 1.00 0.00 C ATOM 229 C ARG A 14 -3.432 16.137 -1.289 1.00 0.00 C ATOM 230 O ARG A 14 -2.628 15.205 -1.308 1.00 0.00 O ATOM 231 CB ARG A 14 -5.180 16.263 -3.050 1.00 0.00 C ATOM 232 CG ARG A 14 -5.804 16.991 -4.230 1.00 0.00 C ATOM 233 CD ARG A 14 -6.307 18.334 -3.844 1.00 0.00 C ATOM 234 NE ARG A 14 -6.998 18.991 -4.941 1.00 0.00 N ATOM 235 CZ ARG A 14 -6.396 19.739 -5.886 1.00 0.00 C ATOM 236 NH1 ARG A 14 -5.094 19.916 -5.853 1.00 0.00 N ATOM 237 NH2 ARG A 14 -7.114 20.296 -6.845 1.00 0.00 N ATOM 238 H ARG A 14 -2.449 15.768 -3.796 1.00 0.00 H ATOM 239 HA ARG A 14 -3.983 17.896 -2.375 1.00 0.00 H ATOM 240 1HB ARG A 14 -5.047 15.221 -3.338 1.00 0.00 H ATOM 241 2HB ARG A 14 -5.897 16.287 -2.230 1.00 0.00 H ATOM 242 1HG ARG A 14 -5.059 17.117 -5.016 1.00 0.00 H ATOM 243 2HG ARG A 14 -6.642 16.408 -4.615 1.00 0.00 H ATOM 244 1HD ARG A 14 -7.005 18.235 -3.012 1.00 0.00 H ATOM 245 2HD ARG A 14 -5.470 18.963 -3.542 1.00 0.00 H ATOM 246 HE ARG A 14 -8.002 18.878 -5.000 1.00 0.00 H ATOM 247 1HH1 ARG A 14 -4.545 19.490 -5.119 1.00 0.00 H ATOM 248 2HH1 ARG A 14 -4.642 20.477 -6.561 1.00 0.00 H ATOM 249 1HH2 ARG A 14 -8.116 20.160 -6.871 1.00 0.00 H ATOM 250 2HH2 ARG A 14 -6.663 20.857 -7.553 1.00 0.00 H ATOM 251 N ASP A 15 -3.982 16.595 -0.170 1.00 0.00 N ATOM 252 CA ASP A 15 -3.610 16.068 1.137 1.00 0.00 C ATOM 253 C ASP A 15 -3.938 14.585 1.248 1.00 0.00 C ATOM 254 O ASP A 15 -4.960 14.126 0.739 1.00 0.00 O ATOM 255 CB ASP A 15 -4.326 16.839 2.249 1.00 0.00 C ATOM 256 CG ASP A 15 -3.812 18.263 2.409 1.00 0.00 C ATOM 257 OD1 ASP A 15 -2.812 18.583 1.811 1.00 0.00 O ATOM 258 OD2 ASP A 15 -4.423 19.017 3.127 1.00 0.00 O ATOM 259 H ASP A 15 -4.676 17.327 -0.226 1.00 0.00 H ATOM 260 HA ASP A 15 -2.536 16.201 1.272 1.00 0.00 H ATOM 261 1HB ASP A 15 -5.395 16.876 2.036 1.00 0.00 H ATOM 262 2HB ASP A 15 -4.199 16.314 3.196 1.00 0.00 H ATOM 263 N LEU A 16 -3.063 13.838 1.914 1.00 0.00 N ATOM 264 CA LEU A 16 -3.235 12.398 2.055 1.00 0.00 C ATOM 265 C LEU A 16 -3.338 11.996 3.521 1.00 0.00 C ATOM 266 O LEU A 16 -2.413 12.222 4.302 1.00 0.00 O ATOM 267 CB LEU A 16 -2.064 11.657 1.397 1.00 0.00 C ATOM 268 CG LEU A 16 -2.103 10.127 1.499 1.00 0.00 C ATOM 269 CD1 LEU A 16 -3.260 9.591 0.668 1.00 0.00 C ATOM 270 CD2 LEU A 16 -0.776 9.553 1.025 1.00 0.00 C ATOM 271 H LEU A 16 -2.258 14.281 2.334 1.00 0.00 H ATOM 272 HA LEU A 16 -4.156 12.108 1.548 1.00 0.00 H ATOM 273 1HB LEU A 16 -2.039 11.918 0.340 1.00 0.00 H ATOM 274 2HB LEU A 16 -1.136 11.997 1.856 1.00 0.00 H ATOM 275 HG LEU A 16 -2.274 9.836 2.536 1.00 0.00 H ATOM 276 1HD1 LEU A 16 -3.288 8.504 0.741 1.00 0.00 H ATOM 277 2HD1 LEU A 16 -4.198 10.003 1.042 1.00 0.00 H ATOM 278 3HD1 LEU A 16 -3.125 9.881 -0.373 1.00 0.00 H ATOM 279 1HD2 LEU A 16 -0.803 8.465 1.098 1.00 0.00 H ATOM 280 2HD2 LEU A 16 -0.605 9.842 -0.012 1.00 0.00 H ATOM 281 3HD2 LEU A 16 0.031 9.939 1.647 1.00 0.00 H ATOM 282 N ARG A 17 -4.466 11.399 3.888 1.00 0.00 N ATOM 283 CA ARG A 17 -4.680 10.940 5.255 1.00 0.00 C ATOM 284 C ARG A 17 -5.158 9.493 5.282 1.00 0.00 C ATOM 285 O ARG A 17 -6.350 9.221 5.136 1.00 0.00 O ATOM 286 CB ARG A 17 -5.700 11.821 5.962 1.00 0.00 C ATOM 287 CG ARG A 17 -5.268 13.266 6.161 1.00 0.00 C ATOM 288 CD ARG A 17 -6.322 14.066 6.835 1.00 0.00 C ATOM 289 NE ARG A 17 -6.551 13.621 8.201 1.00 0.00 N ATOM 290 CZ ARG A 17 -5.847 14.040 9.270 1.00 0.00 C ATOM 291 NH1 ARG A 17 -4.875 14.912 9.117 1.00 0.00 N ATOM 292 NH2 ARG A 17 -6.133 13.574 10.473 1.00 0.00 N ATOM 293 H ARG A 17 -5.195 11.260 3.202 1.00 0.00 H ATOM 294 HA ARG A 17 -3.734 11.006 5.795 1.00 0.00 H ATOM 295 1HB ARG A 17 -6.628 11.831 5.393 1.00 0.00 H ATOM 296 2HB ARG A 17 -5.921 11.405 6.944 1.00 0.00 H ATOM 297 1HG ARG A 17 -4.368 13.295 6.776 1.00 0.00 H ATOM 298 2HG ARG A 17 -5.059 13.720 5.192 1.00 0.00 H ATOM 299 1HD ARG A 17 -6.021 15.113 6.864 1.00 0.00 H ATOM 300 2HD ARG A 17 -7.257 13.972 6.285 1.00 0.00 H ATOM 301 HE ARG A 17 -7.290 12.949 8.358 1.00 0.00 H ATOM 302 1HH1 ARG A 17 -4.656 15.268 8.197 1.00 0.00 H ATOM 303 2HH1 ARG A 17 -4.347 15.226 9.918 1.00 0.00 H ATOM 304 1HH2 ARG A 17 -6.880 12.903 10.591 1.00 0.00 H ATOM 305 2HH2 ARG A 17 -5.605 13.888 11.274 1.00 0.00 H ATOM 306 N VAL A 18 -4.221 8.570 5.468 1.00 0.00 N ATOM 307 CA VAL A 18 -4.512 7.147 5.338 1.00 0.00 C ATOM 308 C VAL A 18 -3.920 6.356 6.498 1.00 0.00 C ATOM 309 O VAL A 18 -3.042 6.842 7.209 1.00 0.00 O ATOM 310 CB VAL A 18 -3.949 6.606 4.010 1.00 0.00 C ATOM 311 CG1 VAL A 18 -4.605 7.305 2.829 1.00 0.00 C ATOM 312 CG2 VAL A 18 -2.439 6.789 3.975 1.00 0.00 C ATOM 313 H VAL A 18 -3.283 8.861 5.707 1.00 0.00 H ATOM 314 HA VAL A 18 -5.594 7.013 5.339 1.00 0.00 H ATOM 315 HB VAL A 18 -4.189 5.546 3.930 1.00 0.00 H ATOM 316 1HG1 VAL A 18 -4.195 6.910 1.899 1.00 0.00 H ATOM 317 2HG1 VAL A 18 -5.680 7.131 2.854 1.00 0.00 H ATOM 318 3HG1 VAL A 18 -4.408 8.376 2.885 1.00 0.00 H ATOM 319 1HG2 VAL A 18 -2.048 6.404 3.034 1.00 0.00 H ATOM 320 2HG2 VAL A 18 -2.199 7.849 4.062 1.00 0.00 H ATOM 321 3HG2 VAL A 18 -1.987 6.246 4.805 1.00 0.00 H ATOM 322 N THR A 19 -4.407 5.133 6.682 1.00 0.00 N ATOM 323 CA THR A 19 -3.770 4.184 7.587 1.00 0.00 C ATOM 324 C THR A 19 -3.499 2.857 6.889 1.00 0.00 C ATOM 325 O THR A 19 -4.218 2.470 5.968 1.00 0.00 O ATOM 326 CB THR A 19 -4.635 3.943 8.838 1.00 0.00 C ATOM 327 OG1 THR A 19 -5.894 3.378 8.451 1.00 0.00 O ATOM 328 CG2 THR A 19 -4.876 5.250 9.579 1.00 0.00 C ATOM 329 H THR A 19 -5.241 4.856 6.184 1.00 0.00 H ATOM 330 HA THR A 19 -2.821 4.605 7.918 1.00 0.00 H ATOM 331 HB THR A 19 -4.127 3.244 9.502 1.00 0.00 H ATOM 332 HG1 THR A 19 -5.758 2.481 8.137 1.00 0.00 H ATOM 333 1HG2 THR A 19 -5.488 5.060 10.460 1.00 0.00 H ATOM 334 2HG2 THR A 19 -3.921 5.676 9.885 1.00 0.00 H ATOM 335 3HG2 THR A 19 -5.392 5.950 8.923 1.00 0.00 H ATOM 336 N LEU A 20 -2.458 2.162 7.335 1.00 0.00 N ATOM 337 CA LEU A 20 -2.156 0.827 6.833 1.00 0.00 C ATOM 338 C LEU A 20 -1.200 0.092 7.763 1.00 0.00 C ATOM 339 O LEU A 20 -0.189 0.646 8.194 1.00 0.00 O ATOM 340 CB LEU A 20 -1.546 0.915 5.428 1.00 0.00 C ATOM 341 CG LEU A 20 -0.065 1.310 5.370 1.00 0.00 C ATOM 342 CD1 LEU A 20 0.487 1.009 3.983 1.00 0.00 C ATOM 343 CD2 LEU A 20 0.081 2.786 5.708 1.00 0.00 C ATOM 344 H LEU A 20 -1.860 2.570 8.039 1.00 0.00 H ATOM 345 HA LEU A 20 -3.087 0.262 6.769 1.00 0.00 H ATOM 346 1HB LEU A 20 -1.650 -0.055 4.943 1.00 0.00 H ATOM 347 2HB LEU A 20 -2.108 1.649 4.850 1.00 0.00 H ATOM 348 HG LEU A 20 0.499 0.715 6.089 1.00 0.00 H ATOM 349 1HD1 LEU A 20 1.540 1.289 3.941 1.00 0.00 H ATOM 350 2HD1 LEU A 20 0.388 -0.056 3.774 1.00 0.00 H ATOM 351 3HD1 LEU A 20 -0.069 1.578 3.239 1.00 0.00 H ATOM 352 1HD2 LEU A 20 1.134 3.066 5.667 1.00 0.00 H ATOM 353 2HD2 LEU A 20 -0.481 3.381 4.989 1.00 0.00 H ATOM 354 3HD2 LEU A 20 -0.304 2.969 6.711 1.00 0.00 H ATOM 355 N ASN A 21 -1.528 -1.159 8.070 1.00 0.00 N ATOM 356 CA ASN A 21 -0.626 -2.023 8.823 1.00 0.00 C ATOM 357 C ASN A 21 -0.258 -1.402 10.165 1.00 0.00 C ATOM 358 O ASN A 21 0.868 -1.549 10.640 1.00 0.00 O ATOM 359 CB ASN A 21 0.622 -2.326 8.014 1.00 0.00 C ATOM 360 CG ASN A 21 0.313 -2.983 6.698 1.00 0.00 C ATOM 361 OD1 ASN A 21 -0.561 -3.854 6.615 1.00 0.00 O ATOM 362 ND2 ASN A 21 1.013 -2.584 5.667 1.00 0.00 N ATOM 363 H ASN A 21 -2.422 -1.521 7.774 1.00 0.00 H ATOM 364 HA ASN A 21 -1.141 -2.962 9.032 1.00 0.00 H ATOM 365 1HB ASN A 21 1.167 -1.400 7.826 1.00 0.00 H ATOM 366 2HB ASN A 21 1.278 -2.980 8.589 1.00 0.00 H ATOM 367 1HD2 ASN A 21 0.850 -2.987 4.766 1.00 0.00 H ATOM 368 2HD2 ASN A 21 1.710 -1.877 5.780 1.00 0.00 H ATOM 369 N GLY A 22 -1.215 -0.705 10.770 1.00 0.00 N ATOM 370 CA GLY A 22 -1.030 -0.149 12.105 1.00 0.00 C ATOM 371 C GLY A 22 -0.369 1.222 12.042 1.00 0.00 C ATOM 372 O GLY A 22 -0.207 1.890 13.064 1.00 0.00 O ATOM 373 H GLY A 22 -2.094 -0.559 10.294 1.00 0.00 H ATOM 374 1HA GLY A 22 -1.995 -0.069 12.604 1.00 0.00 H ATOM 375 2HA GLY A 22 -0.416 -0.825 12.699 1.00 0.00 H ATOM 376 N LEU A 23 0.010 1.636 10.838 1.00 0.00 N ATOM 377 CA LEU A 23 0.685 2.914 10.646 1.00 0.00 C ATOM 378 C LEU A 23 -0.293 3.992 10.199 1.00 0.00 C ATOM 379 O LEU A 23 -1.159 3.749 9.359 1.00 0.00 O ATOM 380 CB LEU A 23 1.806 2.771 9.608 1.00 0.00 C ATOM 381 CG LEU A 23 2.543 4.066 9.242 1.00 0.00 C ATOM 382 CD1 LEU A 23 3.369 4.534 10.433 1.00 0.00 C ATOM 383 CD2 LEU A 23 3.425 3.822 8.027 1.00 0.00 C ATOM 384 H LEU A 23 -0.174 1.051 10.036 1.00 0.00 H ATOM 385 HA LEU A 23 1.130 3.217 11.594 1.00 0.00 H ATOM 386 1HB LEU A 23 2.544 2.066 9.989 1.00 0.00 H ATOM 387 2HB LEU A 23 1.381 2.361 8.692 1.00 0.00 H ATOM 388 HG LEU A 23 1.816 4.846 9.013 1.00 0.00 H ATOM 389 1HD1 LEU A 23 3.893 5.454 10.172 1.00 0.00 H ATOM 390 2HD1 LEU A 23 2.711 4.720 11.282 1.00 0.00 H ATOM 391 3HD1 LEU A 23 4.095 3.766 10.696 1.00 0.00 H ATOM 392 1HD2 LEU A 23 3.948 4.742 7.766 1.00 0.00 H ATOM 393 2HD2 LEU A 23 4.153 3.043 8.255 1.00 0.00 H ATOM 394 3HD2 LEU A 23 2.807 3.505 7.186 1.00 0.00 H ATOM 395 N THR A 24 -0.150 5.186 10.766 1.00 0.00 N ATOM 396 CA THR A 24 -0.907 6.345 10.311 1.00 0.00 C ATOM 397 C THR A 24 -0.019 7.316 9.543 1.00 0.00 C ATOM 398 O THR A 24 1.021 7.746 10.039 1.00 0.00 O ATOM 399 CB THR A 24 -1.568 7.075 11.495 1.00 0.00 C ATOM 400 OG1 THR A 24 -2.477 6.187 12.159 1.00 0.00 O ATOM 401 CG2 THR A 24 -2.326 8.301 11.011 1.00 0.00 C ATOM 402 H THR A 24 0.499 5.292 11.531 1.00 0.00 H ATOM 403 HA THR A 24 -1.703 6.002 9.650 1.00 0.00 H ATOM 404 HB THR A 24 -0.802 7.385 12.205 1.00 0.00 H ATOM 405 HG1 THR A 24 -1.981 5.491 12.598 1.00 0.00 H ATOM 406 1HG2 THR A 24 -2.787 8.804 11.861 1.00 0.00 H ATOM 407 2HG2 THR A 24 -1.636 8.983 10.515 1.00 0.00 H ATOM 408 3HG2 THR A 24 -3.101 7.996 10.308 1.00 0.00 H ATOM 409 N ILE A 25 -0.438 7.658 8.328 1.00 0.00 N ATOM 410 CA ILE A 25 0.317 8.583 7.491 1.00 0.00 C ATOM 411 C ILE A 25 -0.464 9.868 7.249 1.00 0.00 C ATOM 412 O ILE A 25 -1.522 9.855 6.622 1.00 0.00 O ATOM 413 CB ILE A 25 0.674 7.936 6.140 1.00 0.00 C ATOM 414 CG1 ILE A 25 1.530 6.685 6.357 1.00 0.00 C ATOM 415 CG2 ILE A 25 1.399 8.933 5.249 1.00 0.00 C ATOM 416 CD1 ILE A 25 1.687 5.832 5.119 1.00 0.00 C ATOM 417 H ILE A 25 -1.300 7.267 7.976 1.00 0.00 H ATOM 418 HA ILE A 25 1.249 8.830 8.000 1.00 0.00 H ATOM 419 HB ILE A 25 -0.238 7.612 5.640 1.00 0.00 H ATOM 420 1HG1 ILE A 25 2.522 6.978 6.699 1.00 0.00 H ATOM 421 2HG1 ILE A 25 1.084 6.071 7.139 1.00 0.00 H ATOM 422 1HG2 ILE A 25 1.645 8.459 4.299 1.00 0.00 H ATOM 423 2HG2 ILE A 25 0.757 9.794 5.069 1.00 0.00 H ATOM 424 3HG2 ILE A 25 2.316 9.260 5.739 1.00 0.00 H ATOM 425 1HD1 ILE A 25 2.305 4.964 5.352 1.00 0.00 H ATOM 426 2HD1 ILE A 25 0.706 5.498 4.780 1.00 0.00 H ATOM 427 3HD1 ILE A 25 2.164 6.415 4.333 1.00 0.00 H ATOM 428 N ILE A 26 0.066 10.979 7.752 1.00 0.00 N ATOM 429 CA ILE A 26 -0.532 12.288 7.515 1.00 0.00 C ATOM 430 C ILE A 26 0.459 13.235 6.854 1.00 0.00 C ATOM 431 O ILE A 26 1.397 13.714 7.492 1.00 0.00 O ATOM 432 CB ILE A 26 -1.036 12.908 8.831 1.00 0.00 C ATOM 433 CG1 ILE A 26 -2.088 12.004 9.479 1.00 0.00 C ATOM 434 CG2 ILE A 26 -1.604 14.297 8.581 1.00 0.00 C ATOM 435 CD1 ILE A 26 -2.446 12.401 10.893 1.00 0.00 C ATOM 436 H ILE A 26 0.905 10.915 8.311 1.00 0.00 H ATOM 437 HA ILE A 26 -1.390 12.161 6.853 1.00 0.00 H ATOM 438 HB ILE A 26 -0.210 12.986 9.536 1.00 0.00 H ATOM 439 1HG1 ILE A 26 -2.998 12.017 8.880 1.00 0.00 H ATOM 440 2HG1 ILE A 26 -1.723 10.977 9.497 1.00 0.00 H ATOM 441 1HG2 ILE A 26 -1.957 14.720 9.521 1.00 0.00 H ATOM 442 2HG2 ILE A 26 -0.829 14.937 8.163 1.00 0.00 H ATOM 443 3HG2 ILE A 26 -2.436 14.229 7.880 1.00 0.00 H ATOM 444 1HD1 ILE A 26 -3.197 11.714 11.285 1.00 0.00 H ATOM 445 2HD1 ILE A 26 -1.555 12.361 11.520 1.00 0.00 H ATOM 446 3HD1 ILE A 26 -2.847 13.414 10.896 1.00 0.00 H ATOM 447 N VAL A 27 0.247 13.504 5.570 1.00 0.00 N ATOM 448 CA VAL A 27 1.118 14.401 4.820 1.00 0.00 C ATOM 449 C VAL A 27 0.312 15.341 3.934 1.00 0.00 C ATOM 450 O VAL A 27 -0.620 14.918 3.250 1.00 0.00 O ATOM 451 CB VAL A 27 2.096 13.591 3.948 1.00 0.00 C ATOM 452 CG1 VAL A 27 1.336 12.602 3.076 1.00 0.00 C ATOM 453 CG2 VAL A 27 2.930 14.533 3.094 1.00 0.00 C ATOM 454 H VAL A 27 -0.539 13.077 5.101 1.00 0.00 H ATOM 455 HA VAL A 27 1.694 14.996 5.530 1.00 0.00 H ATOM 456 HB VAL A 27 2.751 13.010 4.596 1.00 0.00 H ATOM 457 1HG1 VAL A 27 2.042 12.037 2.466 1.00 0.00 H ATOM 458 2HG1 VAL A 27 0.775 11.915 3.709 1.00 0.00 H ATOM 459 3HG1 VAL A 27 0.649 13.143 2.426 1.00 0.00 H ATOM 460 1HG2 VAL A 27 3.619 13.953 2.480 1.00 0.00 H ATOM 461 2HG2 VAL A 27 2.274 15.118 2.449 1.00 0.00 H ATOM 462 3HG2 VAL A 27 3.497 15.204 3.740 1.00 0.00 H ATOM 463 N THR A 28 0.675 16.619 3.953 1.00 0.00 N ATOM 464 CA THR A 28 -0.040 17.629 3.180 1.00 0.00 C ATOM 465 C THR A 28 0.689 17.946 1.881 1.00 0.00 C ATOM 466 O THR A 28 1.919 17.999 1.845 1.00 0.00 O ATOM 467 CB THR A 28 -0.227 18.921 3.997 1.00 0.00 C ATOM 468 OG1 THR A 28 -0.836 19.925 3.174 1.00 0.00 O ATOM 469 CG2 THR A 28 1.113 19.431 4.504 1.00 0.00 C ATOM 470 H THR A 28 1.465 16.898 4.516 1.00 0.00 H ATOM 471 HA THR A 28 -1.032 17.244 2.940 1.00 0.00 H ATOM 472 HB THR A 28 -0.880 18.723 4.847 1.00 0.00 H ATOM 473 HG1 THR A 28 -1.695 19.616 2.876 1.00 0.00 H ATOM 474 1HG2 THR A 28 0.961 20.344 5.079 1.00 0.00 H ATOM 475 2HG2 THR A 28 1.573 18.674 5.139 1.00 0.00 H ATOM 476 3HG2 THR A 28 1.766 19.640 3.658 1.00 0.00 H ATOM 477 N ALA A 29 -0.076 18.156 0.815 1.00 0.00 N ATOM 478 CA ALA A 29 0.498 18.427 -0.498 1.00 0.00 C ATOM 479 C ALA A 29 0.924 19.884 -0.622 1.00 0.00 C ATOM 480 O ALA A 29 1.496 20.289 -1.635 1.00 0.00 O ATOM 481 CB ALA A 29 -0.496 18.071 -1.594 1.00 0.00 C ATOM 482 H ALA A 29 -1.080 18.125 0.917 1.00 0.00 H ATOM 483 HA ALA A 29 1.375 17.793 -0.630 1.00 0.00 H ATOM 484 1HB ALA A 29 -0.053 18.280 -2.568 1.00 0.00 H ATOM 485 2HB ALA A 29 -0.747 17.012 -1.529 1.00 0.00 H ATOM 486 3HB ALA A 29 -1.400 18.666 -1.472 1.00 0.00 H ATOM 487 N SER A 30 0.642 20.667 0.413 1.00 0.00 N ATOM 488 CA SER A 30 1.002 22.081 0.424 1.00 0.00 C ATOM 489 C SER A 30 2.474 22.271 0.769 1.00 0.00 C ATOM 490 O SER A 30 3.015 23.369 0.636 1.00 0.00 O ATOM 491 CB SER A 30 0.140 22.833 1.419 1.00 0.00 C ATOM 492 OG SER A 30 0.429 22.439 2.732 1.00 0.00 O ATOM 493 H SER A 30 0.166 20.275 1.212 1.00 0.00 H ATOM 494 HA SER A 30 0.820 22.492 -0.570 1.00 0.00 H ATOM 495 1HB SER A 30 0.309 23.904 1.311 1.00 0.00 H ATOM 496 2HB SER A 30 -0.911 22.645 1.204 1.00 0.00 H ATOM 497 HG SER A 30 -0.110 21.663 2.901 1.00 0.00 H ATOM 498 N ARG A 31 3.116 21.197 1.214 1.00 0.00 N ATOM 499 CA ARG A 31 4.502 21.264 1.660 1.00 0.00 C ATOM 500 C ARG A 31 5.386 20.318 0.856 1.00 0.00 C ATOM 501 O ARG A 31 5.542 19.149 1.207 1.00 0.00 O ATOM 502 CB ARG A 31 4.606 20.917 3.138 1.00 0.00 C ATOM 503 CG ARG A 31 3.931 21.905 4.076 1.00 0.00 C ATOM 504 CD ARG A 31 3.999 21.454 5.490 1.00 0.00 C ATOM 505 NE ARG A 31 3.362 22.401 6.392 1.00 0.00 N ATOM 506 CZ ARG A 31 3.250 22.231 7.724 1.00 0.00 C ATOM 507 NH1 ARG A 31 3.736 21.150 8.292 1.00 0.00 N ATOM 508 NH2 ARG A 31 2.652 23.152 8.459 1.00 0.00 N ATOM 509 H ARG A 31 2.630 20.312 1.244 1.00 0.00 H ATOM 510 HA ARG A 31 4.862 22.283 1.520 1.00 0.00 H ATOM 511 1HB ARG A 31 4.161 19.938 3.314 1.00 0.00 H ATOM 512 2HB ARG A 31 5.656 20.855 3.424 1.00 0.00 H ATOM 513 1HG ARG A 31 4.425 22.874 4.001 1.00 0.00 H ATOM 514 2HG ARG A 31 2.881 22.010 3.800 1.00 0.00 H ATOM 515 1HD ARG A 31 3.494 20.494 5.591 1.00 0.00 H ATOM 516 2HD ARG A 31 5.041 21.348 5.788 1.00 0.00 H ATOM 517 HE ARG A 31 2.976 23.245 5.991 1.00 0.00 H ATOM 518 1HH1 ARG A 31 4.193 20.446 7.730 1.00 0.00 H ATOM 519 2HH1 ARG A 31 3.652 21.023 9.290 1.00 0.00 H ATOM 520 1HH2 ARG A 31 2.279 23.984 8.022 1.00 0.00 H ATOM 521 2HH2 ARG A 31 2.568 23.026 9.457 1.00 0.00 H ATOM 522 N GLU A 32 5.961 20.831 -0.226 1.00 0.00 N ATOM 523 CA GLU A 32 6.754 20.011 -1.134 1.00 0.00 C ATOM 524 C GLU A 32 7.947 19.393 -0.417 1.00 0.00 C ATOM 525 O GLU A 32 8.322 18.252 -0.689 1.00 0.00 O ATOM 526 CB GLU A 32 7.237 20.846 -2.322 1.00 0.00 C ATOM 527 CG GLU A 32 6.136 21.259 -3.289 1.00 0.00 C ATOM 528 CD GLU A 32 6.636 22.132 -4.406 1.00 0.00 C ATOM 529 OE1 GLU A 32 7.776 22.529 -4.360 1.00 0.00 O ATOM 530 OE2 GLU A 32 5.878 22.403 -5.306 1.00 0.00 O ATOM 531 H GLU A 32 5.846 21.815 -0.424 1.00 0.00 H ATOM 532 HA GLU A 32 6.122 19.211 -1.518 1.00 0.00 H ATOM 533 1HB GLU A 32 7.720 21.753 -1.957 1.00 0.00 H ATOM 534 2HB GLU A 32 7.982 20.282 -2.884 1.00 0.00 H ATOM 535 1HG GLU A 32 5.688 20.363 -3.717 1.00 0.00 H ATOM 536 2HG GLU A 32 5.363 21.791 -2.736 1.00 0.00 H ATOM 537 N TRP A 33 8.538 20.150 0.500 1.00 0.00 N ATOM 538 CA TRP A 33 9.673 19.666 1.278 1.00 0.00 C ATOM 539 C TRP A 33 9.270 18.506 2.177 1.00 0.00 C ATOM 540 O TRP A 33 10.098 17.668 2.535 1.00 0.00 O ATOM 541 CB TRP A 33 10.257 20.796 2.129 1.00 0.00 C ATOM 542 CG TRP A 33 9.317 21.298 3.183 1.00 0.00 C ATOM 543 CD1 TRP A 33 8.490 22.377 3.090 1.00 0.00 C ATOM 544 CD2 TRP A 33 9.102 20.740 4.502 1.00 0.00 C ATOM 545 NE1 TRP A 33 7.778 22.529 4.254 1.00 0.00 N ATOM 546 CE2 TRP A 33 8.139 21.536 5.129 1.00 0.00 C ATOM 547 CE3 TRP A 33 9.640 19.645 5.190 1.00 0.00 C ATOM 548 CZ2 TRP A 33 7.699 21.276 6.417 1.00 0.00 C ATOM 549 CZ3 TRP A 33 9.198 19.385 6.481 1.00 0.00 C ATOM 550 CH2 TRP A 33 8.252 20.179 7.078 1.00 0.00 C ATOM 551 H TRP A 33 8.193 21.085 0.663 1.00 0.00 H ATOM 552 HA TRP A 33 10.444 19.322 0.588 1.00 0.00 H ATOM 553 1HB TRP A 33 11.167 20.449 2.619 1.00 0.00 H ATOM 554 2HB TRP A 33 10.530 21.632 1.486 1.00 0.00 H ATOM 555 HD1 TRP A 33 8.405 23.024 2.218 1.00 0.00 H ATOM 556 HE1 TRP A 33 7.100 23.255 4.439 1.00 0.00 H ATOM 557 HE3 TRP A 33 10.390 19.010 4.719 1.00 0.00 H ATOM 558 HZ2 TRP A 33 6.949 21.896 6.909 1.00 0.00 H ATOM 559 HZ3 TRP A 33 9.623 18.531 7.010 1.00 0.00 H ATOM 560 HH2 TRP A 33 7.927 19.946 8.092 1.00 0.00 H ATOM 561 N LEU A 34 7.992 18.461 2.541 1.00 0.00 N ATOM 562 CA LEU A 34 7.485 17.427 3.435 1.00 0.00 C ATOM 563 C LEU A 34 7.278 16.111 2.695 1.00 0.00 C ATOM 564 O LEU A 34 7.612 15.042 3.205 1.00 0.00 O ATOM 565 CB LEU A 34 6.164 17.877 4.071 1.00 0.00 C ATOM 566 CG LEU A 34 5.549 16.907 5.087 1.00 0.00 C ATOM 567 CD1 LEU A 34 6.501 16.733 6.263 1.00 0.00 C ATOM 568 CD2 LEU A 34 4.201 17.440 5.549 1.00 0.00 C ATOM 569 H LEU A 34 7.356 19.161 2.188 1.00 0.00 H ATOM 570 HA LEU A 34 8.215 17.270 4.230 1.00 0.00 H ATOM 571 1HB LEU A 34 6.328 18.827 4.577 1.00 0.00 H ATOM 572 2HB LEU A 34 5.432 18.033 3.278 1.00 0.00 H ATOM 573 HG LEU A 34 5.413 15.930 4.622 1.00 0.00 H ATOM 574 1HD1 LEU A 34 6.064 16.043 6.986 1.00 0.00 H ATOM 575 2HD1 LEU A 34 7.450 16.332 5.908 1.00 0.00 H ATOM 576 3HD1 LEU A 34 6.670 17.698 6.740 1.00 0.00 H ATOM 577 1HD2 LEU A 34 3.764 16.750 6.271 1.00 0.00 H ATOM 578 2HD2 LEU A 34 4.337 18.416 6.015 1.00 0.00 H ATOM 579 3HD2 LEU A 34 3.536 17.538 4.691 1.00 0.00 H ATOM 580 N LEU A 35 6.725 16.197 1.490 1.00 0.00 N ATOM 581 CA LEU A 35 6.508 15.018 0.661 1.00 0.00 C ATOM 582 C LEU A 35 7.792 14.217 0.496 1.00 0.00 C ATOM 583 O LEU A 35 7.781 12.987 0.562 1.00 0.00 O ATOM 584 CB LEU A 35 5.975 15.430 -0.717 1.00 0.00 C ATOM 585 CG LEU A 35 4.448 15.438 -0.865 1.00 0.00 C ATOM 586 CD1 LEU A 35 3.842 16.379 0.168 1.00 0.00 C ATOM 587 CD2 LEU A 35 4.076 15.864 -2.277 1.00 0.00 C ATOM 588 H LEU A 35 6.448 17.103 1.139 1.00 0.00 H ATOM 589 HA LEU A 35 5.762 14.387 1.145 1.00 0.00 H ATOM 590 1HB LEU A 35 6.334 16.433 -0.943 1.00 0.00 H ATOM 591 2HB LEU A 35 6.376 14.746 -1.464 1.00 0.00 H ATOM 592 HG LEU A 35 4.058 14.438 -0.673 1.00 0.00 H ATOM 593 1HD1 LEU A 35 2.757 16.385 0.063 1.00 0.00 H ATOM 594 2HD1 LEU A 35 4.108 16.040 1.169 1.00 0.00 H ATOM 595 3HD1 LEU A 35 4.226 17.386 0.011 1.00 0.00 H ATOM 596 1HD2 LEU A 35 2.991 15.869 -2.382 1.00 0.00 H ATOM 597 2HD2 LEU A 35 4.464 16.865 -2.469 1.00 0.00 H ATOM 598 3HD2 LEU A 35 4.507 15.164 -2.993 1.00 0.00 H ATOM 599 N GLU A 36 8.899 14.919 0.281 1.00 0.00 N ATOM 600 CA GLU A 36 10.207 14.281 0.191 1.00 0.00 C ATOM 601 C GLU A 36 10.608 13.656 1.521 1.00 0.00 C ATOM 602 O GLU A 36 11.035 12.503 1.572 1.00 0.00 O ATOM 603 CB GLU A 36 11.265 15.295 -0.249 1.00 0.00 C ATOM 604 CG GLU A 36 12.657 14.708 -0.438 1.00 0.00 C ATOM 605 CD GLU A 36 13.639 15.700 -0.996 1.00 0.00 C ATOM 606 OE1 GLU A 36 13.256 16.822 -1.226 1.00 0.00 O ATOM 607 OE2 GLU A 36 14.775 15.336 -1.192 1.00 0.00 O ATOM 608 H GLU A 36 8.834 15.922 0.178 1.00 0.00 H ATOM 609 HA GLU A 36 10.157 13.495 -0.564 1.00 0.00 H ATOM 610 1HB GLU A 36 10.963 15.751 -1.192 1.00 0.00 H ATOM 611 2HB GLU A 36 11.336 16.091 0.492 1.00 0.00 H ATOM 612 1HG GLU A 36 13.024 14.353 0.524 1.00 0.00 H ATOM 613 2HG GLU A 36 12.591 13.853 -1.109 1.00 0.00 H ATOM 614 N HIS A 37 10.470 14.425 2.595 1.00 0.00 N ATOM 615 CA HIS A 37 10.812 13.947 3.929 1.00 0.00 C ATOM 616 C HIS A 37 10.029 12.688 4.280 1.00 0.00 C ATOM 617 O HIS A 37 10.601 11.691 4.718 1.00 0.00 O ATOM 618 CB HIS A 37 10.544 15.031 4.978 1.00 0.00 C ATOM 619 CG HIS A 37 10.723 14.562 6.388 1.00 0.00 C ATOM 620 ND1 HIS A 37 11.965 14.369 6.956 1.00 0.00 N ATOM 621 CD2 HIS A 37 9.818 14.245 7.344 1.00 0.00 C ATOM 622 CE1 HIS A 37 11.815 13.954 8.202 1.00 0.00 C ATOM 623 NE2 HIS A 37 10.523 13.871 8.461 1.00 0.00 N ATOM 624 H HIS A 37 10.120 15.366 2.484 1.00 0.00 H ATOM 625 HA HIS A 37 11.877 13.713 3.951 1.00 0.00 H ATOM 626 1HB HIS A 37 11.217 15.873 4.811 1.00 0.00 H ATOM 627 2HB HIS A 37 9.525 15.400 4.867 1.00 0.00 H ATOM 628 HD2 HIS A 37 8.733 14.280 7.245 1.00 0.00 H ATOM 629 HE1 HIS A 37 12.621 13.722 8.898 1.00 0.00 H ATOM 630 HE2 HIS A 37 10.113 13.580 9.338 1.00 0.00 H ATOM 631 N VAL A 38 8.715 12.742 4.086 1.00 0.00 N ATOM 632 CA VAL A 38 7.839 11.643 4.471 1.00 0.00 C ATOM 633 C VAL A 38 8.163 10.378 3.687 1.00 0.00 C ATOM 634 O VAL A 38 8.227 9.286 4.250 1.00 0.00 O ATOM 635 CB VAL A 38 6.366 12.027 4.236 1.00 0.00 C ATOM 636 CG1 VAL A 38 5.467 10.808 4.387 1.00 0.00 C ATOM 637 CG2 VAL A 38 5.955 13.124 5.206 1.00 0.00 C ATOM 638 H VAL A 38 8.314 13.566 3.660 1.00 0.00 H ATOM 639 HA VAL A 38 7.982 11.442 5.533 1.00 0.00 H ATOM 640 HB VAL A 38 6.252 12.384 3.212 1.00 0.00 H ATOM 641 1HG1 VAL A 38 4.430 11.098 4.217 1.00 0.00 H ATOM 642 2HG1 VAL A 38 5.756 10.051 3.659 1.00 0.00 H ATOM 643 3HG1 VAL A 38 5.570 10.404 5.394 1.00 0.00 H ATOM 644 1HG2 VAL A 38 4.913 13.391 5.033 1.00 0.00 H ATOM 645 2HG2 VAL A 38 6.074 12.768 6.230 1.00 0.00 H ATOM 646 3HG2 VAL A 38 6.584 14.001 5.051 1.00 0.00 H ATOM 647 N ALA A 39 8.368 10.533 2.383 1.00 0.00 N ATOM 648 CA ALA A 39 8.681 9.403 1.517 1.00 0.00 C ATOM 649 C ALA A 39 9.926 8.669 1.998 1.00 0.00 C ATOM 650 O ALA A 39 9.990 7.440 1.958 1.00 0.00 O ATOM 651 CB ALA A 39 8.865 9.872 0.081 1.00 0.00 C ATOM 652 H ALA A 39 8.305 11.458 1.982 1.00 0.00 H ATOM 653 HA ALA A 39 7.839 8.710 1.534 1.00 0.00 H ATOM 654 1HB ALA A 39 9.099 9.017 -0.554 1.00 0.00 H ATOM 655 2HB ALA A 39 7.946 10.343 -0.269 1.00 0.00 H ATOM 656 3HB ALA A 39 9.681 10.591 0.035 1.00 0.00 H ATOM 657 N ARG A 40 10.917 9.430 2.452 1.00 0.00 N ATOM 658 CA ARG A 40 12.168 8.855 2.931 1.00 0.00 C ATOM 659 C ARG A 40 11.959 8.084 4.229 1.00 0.00 C ATOM 660 O ARG A 40 12.616 7.074 4.474 1.00 0.00 O ATOM 661 CB ARG A 40 13.207 9.944 3.153 1.00 0.00 C ATOM 662 CG ARG A 40 13.751 10.577 1.882 1.00 0.00 C ATOM 663 CD ARG A 40 14.741 11.643 2.180 1.00 0.00 C ATOM 664 NE ARG A 40 15.142 12.361 0.981 1.00 0.00 N ATOM 665 CZ ARG A 40 16.093 11.945 0.121 1.00 0.00 C ATOM 666 NH1 ARG A 40 16.729 10.816 0.342 1.00 0.00 N ATOM 667 NH2 ARG A 40 16.385 12.672 -0.943 1.00 0.00 N ATOM 668 H ARG A 40 10.799 10.434 2.466 1.00 0.00 H ATOM 669 HA ARG A 40 12.545 8.168 2.173 1.00 0.00 H ATOM 670 1HB ARG A 40 12.777 10.739 3.759 1.00 0.00 H ATOM 671 2HB ARG A 40 14.053 9.533 3.704 1.00 0.00 H ATOM 672 1HG ARG A 40 14.240 9.814 1.276 1.00 0.00 H ATOM 673 2HG ARG A 40 12.931 11.019 1.316 1.00 0.00 H ATOM 674 1HD ARG A 40 14.306 12.359 2.876 1.00 0.00 H ATOM 675 2HD ARG A 40 15.631 11.199 2.624 1.00 0.00 H ATOM 676 HE ARG A 40 14.675 13.235 0.777 1.00 0.00 H ATOM 677 1HH1 ARG A 40 16.506 10.261 1.156 1.00 0.00 H ATOM 678 2HH1 ARG A 40 17.442 10.504 -0.302 1.00 0.00 H ATOM 679 1HH2 ARG A 40 15.896 13.540 -1.113 1.00 0.00 H ATOM 680 2HH2 ARG A 40 17.097 12.360 -1.587 1.00 0.00 H ATOM 681 N GLU A 41 11.039 8.570 5.056 1.00 0.00 N ATOM 682 CA GLU A 41 10.743 7.928 6.332 1.00 0.00 C ATOM 683 C GLU A 41 9.985 6.623 6.130 1.00 0.00 C ATOM 684 O GLU A 41 10.216 5.642 6.837 1.00 0.00 O ATOM 685 CB GLU A 41 9.932 8.867 7.227 1.00 0.00 C ATOM 686 CG GLU A 41 9.671 8.332 8.628 1.00 0.00 C ATOM 687 CD GLU A 41 10.926 8.199 9.446 1.00 0.00 C ATOM 688 OE1 GLU A 41 11.895 8.842 9.121 1.00 0.00 O ATOM 689 OE2 GLU A 41 10.915 7.453 10.397 1.00 0.00 O ATOM 690 H GLU A 41 10.532 9.403 4.796 1.00 0.00 H ATOM 691 HA GLU A 41 11.686 7.710 6.836 1.00 0.00 H ATOM 692 1HB GLU A 41 10.454 9.819 7.324 1.00 0.00 H ATOM 693 2HB GLU A 41 8.967 9.069 6.761 1.00 0.00 H ATOM 694 1HG GLU A 41 8.986 9.006 9.142 1.00 0.00 H ATOM 695 2HG GLU A 41 9.189 7.359 8.550 1.00 0.00 H ATOM 696 N LEU A 42 9.075 6.617 5.161 1.00 0.00 N ATOM 697 CA LEU A 42 8.176 5.487 4.961 1.00 0.00 C ATOM 698 C LEU A 42 8.851 4.380 4.162 1.00 0.00 C ATOM 699 O LEU A 42 8.718 3.199 4.484 1.00 0.00 O ATOM 700 CB LEU A 42 6.903 5.944 4.238 1.00 0.00 C ATOM 701 CG LEU A 42 6.042 6.968 4.989 1.00 0.00 C ATOM 702 CD1 LEU A 42 4.933 7.468 4.074 1.00 0.00 C ATOM 703 CD2 LEU A 42 5.468 6.326 6.244 1.00 0.00 C ATOM 704 H LEU A 42 9.007 7.416 4.546 1.00 0.00 H ATOM 705 HA LEU A 42 7.895 5.092 5.938 1.00 0.00 H ATOM 706 1HB LEU A 42 7.185 6.386 3.284 1.00 0.00 H ATOM 707 2HB LEU A 42 6.282 5.070 4.041 1.00 0.00 H ATOM 708 HG LEU A 42 6.656 7.825 5.269 1.00 0.00 H ATOM 709 1HD1 LEU A 42 4.321 8.196 4.608 1.00 0.00 H ATOM 710 2HD1 LEU A 42 5.371 7.940 3.195 1.00 0.00 H ATOM 711 3HD1 LEU A 42 4.310 6.630 3.764 1.00 0.00 H ATOM 712 1HD2 LEU A 42 4.857 7.054 6.778 1.00 0.00 H ATOM 713 2HD2 LEU A 42 4.853 5.470 5.965 1.00 0.00 H ATOM 714 3HD2 LEU A 42 6.282 5.993 6.887 1.00 0.00 H ATOM 715 N ILE A 43 9.577 4.768 3.119 1.00 0.00 N ATOM 716 CA ILE A 43 10.127 3.808 2.170 1.00 0.00 C ATOM 717 C ILE A 43 11.500 3.320 2.612 1.00 0.00 C ATOM 718 O ILE A 43 12.245 4.046 3.271 1.00 0.00 O ATOM 719 OXT ILE A 43 11.868 2.216 2.320 1.00 0.00 O ATOM 720 CB ILE A 43 10.230 4.424 0.763 1.00 0.00 C ATOM 721 CG1 ILE A 43 8.840 4.802 0.243 1.00 0.00 C ATOM 722 CG2 ILE A 43 10.915 3.459 -0.192 1.00 0.00 C ATOM 723 CD1 ILE A 43 8.866 5.655 -1.005 1.00 0.00 C ATOM 724 H ILE A 43 9.753 5.753 2.981 1.00 0.00 H ATOM 725 HA ILE A 43 9.454 2.952 2.113 1.00 0.00 H ATOM 726 HB ILE A 43 10.809 5.346 0.811 1.00 0.00 H ATOM 727 1HG1 ILE A 43 8.275 3.896 0.025 1.00 0.00 H ATOM 728 2HG1 ILE A 43 8.298 5.346 1.016 1.00 0.00 H ATOM 729 1HG2 ILE A 43 10.979 3.911 -1.182 1.00 0.00 H ATOM 730 2HG2 ILE A 43 11.918 3.239 0.171 1.00 0.00 H ATOM 731 3HG2 ILE A 43 10.340 2.535 -0.251 1.00 0.00 H ATOM 732 1HD1 ILE A 43 7.845 5.881 -1.312 1.00 0.00 H ATOM 733 2HD1 ILE A 43 9.397 6.585 -0.799 1.00 0.00 H ATOM 734 3HD1 ILE A 43 9.373 5.116 -1.804 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE start12_0100_0001.pdb label fa_atr fa_rep fa_sol fa_intra_atr_xover4 fa_intra_rep_xover4 fa_intra_sol_xover4 lk_ball lk_ball_iso lk_ball_bridge lk_ball_bridge_uncpl fa_elec fa_intra_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun_dev fa_dun_rot fa_dun_semi p_aa_pp hxl_tors ref rama_prepro gen_bonded total weights 1 0.55 1 1 0.55 1 0.92 -0.38 -0.33 -0.33 1 1 1.25 1 1 1 1 1.25 0.48 0.69 0.76 0.78 0.61 1 1 0.5 1 NA pose -220.074 29.0716 135.149 -19.0337 13.0843 11.4079 77.7649 -85.0526 -0.24835 -1.34886 -57.5236 -11.9107 0 -21.2253 -5.41054 -3.43304 -3.88238 0 3.28321 2.97576 29.4336 27.6483 -12.4953 11.0544 -9.33509 2.53296 0 -107.567 ASP:NtermProteinFull_1 -2.85568 0.17115 3.06183 -0.11974 0.01308 0.35983 1.49673 -1.46655 -0.04836 -0.28905 -1.16531 -1.22739 0 0 0 0 0 0 0.41364 0.00786 0 2.11834 0 0 -2.3716 0 0 -1.90121 ILE_2 -7.23004 1.33235 2.10746 -0.71583 1.63295 0.16116 1.7598 -2.1226 -0.00792 -0.0587 -1.94248 0.44853 0 0 0 0 0 0 0.18393 0.06288 0.6041 0 -0.48151 0 0.73287 0.15096 0 -3.38211 GLU_3 -4.09269 0.10885 4.47068 -0.45856 0.21564 1.42633 1.51655 -2.05077 -0.02825 -0.15479 -2.47679 -2.93238 0 0 0 0 0 0 -0.03257 0.00145 0 3.93235 -0.29315 0 -2.7348 0.00851 0 -3.57441 GLU_4 -3.86262 0.25161 4.89767 -0.21391 0.02838 0.29746 1.83164 -2.17471 -0.0766 -0.44384 -1.33043 -0.56547 0 0 0 0 0 0 -0.00363 0.01333 0 3.14025 -0.31038 0 -2.7348 -0.35816 0 -1.61423 LEU_5 -7.17415 1.07266 3.21303 -0.50658 0.59031 0.12063 2.69958 -2.52772 -0 -0 -1.35177 0.25225 0 0 0 0 0 0 0.15193 0.03246 0.41587 0 -0.26022 0 0.18072 -0.22027 0 -3.31129 VAL_6 -6.94471 0.79737 3.5321 -0.3129 0.28194 0.07129 2.27955 -2.65442 -0 -0 -2.19909 -0.09787 0 0 0 0 0 0 0.11466 0.08443 0.12111 0 -0.32546 0 1.9342 0.07791 0 -3.2399 THR_7 -5.50066 0.26089 5.61072 -0.20771 0.17492 0.07654 2.61094 -2.72125 -0.01052 -0.07538 -2.64688 -0.13843 0 0 0 0 0 0 -0.04001 0.01003 0.15555 0 0.05545 2.29018 -1.0874 0.27684 0 -0.9062 TRP_8 -9.02101 1.71566 4.79564 -1.19327 0.08194 0.33735 3.2864 -3.2403 -0.00785 -0.03723 -3.20543 -0.37526 0 0 0 0 0 0 0.33865 0.1614 0 1.97251 -0.5495 0 1.6906 0.95762 0 -2.29209 ILE_9 -9.8748 2.22912 3.40218 -0.59363 0.42635 0.16845 2.64164 -3.12704 -0 -0 -1.67077 0.39047 0 0 0 0 0 0 -0.0679 0.41741 1.61279 0 -0.04235 0 0.73287 0.75134 0 -2.60387 ARG_10 -5.75175 0.81757 4.33277 -0.44001 0.05259 0.21455 1.6168 -2.3058 -0 -0 -0.55291 0.37238 0 0 0 0 0 0 -0.02976 0.27645 2.06302 0 -0.12094 0 -1.2888 -0.09035 0 -0.83419 ARG_11 -3.63936 0.19155 3.40057 -0.4362 0.05134 0.21952 1.3955 -1.69031 -0 -0 -0.83436 0.29573 0 0 0 0 0 0 0.07367 0.04227 1.99271 0 -0.11152 0 -1.2888 0.01558 0 -0.32211 VAL_12 -5.11328 0.9676 2.53355 -0.31039 0.271 0.07076 1.50922 -1.79876 -0.0026 -0.01668 -0.63483 -0.16744 0 0 0 0 0 0 -0.0064 0.10538 0.29762 0 -0.37558 0 1.9342 0.14143 0 -0.59519 GLY_13 -2.7431 0.22233 2.5349 -5e-05 0 0 1.10949 -1.42211 -0.00785 -0.03723 -1.08774 -0.39329 0 0 0 -0.36829 0 0 -0.13765 0 0 0 -1.35935 0 0.83697 0.00385 0 -2.84913 ARG_14 -4.87406 1.0528 3.99696 -0.95786 0.42012 0.68329 1.4654 -2.15866 -0 -0 -0.87192 0.11388 0 0 0 -0.36829 0 0 0.30326 0.06114 1.99151 0 -0.23679 0 -1.2888 -0.24061 0 -0.90864 ASP_15 -3.71892 0.13224 3.89626 -0.11052 0.01615 0.3201 1.74055 -1.86844 -0.00581 -0.02164 -4.09977 -0.21338 0 0 0 -0.65955 -0.50803 0 0.05946 0.00596 0 1.91807 0.04763 0 -2.3716 -0.38015 0 -5.82139 LEU_16 -7.30363 1.21928 1.90579 -0.60854 0.35068 0.16797 2.49725 -1.99735 -0 -0 -1.6069 0.29103 0 0 0 0 0 0 -0.00304 0.12894 0.78923 0 -0.18915 0 0.18072 -0.11789 0 -4.2956 ARG_17 -3.35635 0.27975 1.80136 -0.81606 0.22115 0.5182 0.27146 -1.11205 -0.00581 -0.02164 -0.16027 -0.09085 0 0 0 0 0 0 0.09536 0.02138 2.6855 0 -0.10017 0 -1.2888 0.49535 0 -0.56249 VAL_18 -5.06108 0.99706 1.40031 -0.30985 0.2217 0.06514 1.88738 -1.61632 -0 -0 -2.17316 -0.43637 0 0 0 0 0 0 0.43586 0.01039 0.13862 0 -0.31461 0 1.9342 0.27319 0 -2.54754 THR_19 -2.83053 0.39121 1.04335 -0.1173 0.05585 0.08641 0.63443 -0.88887 -0 -0 -0.67061 -0.61214 0 0 0 0 0 0 0.02759 0.00035 0.30859 0 -0.24699 2.29891 -1.0874 -0.31558 0 -1.92273 LEU_20 -5.90154 0.72957 2.59113 -0.87464 1.91778 0.4383 2.39502 -2.07383 -0 -0 -1.32562 -0.14988 0 0 0 0 0 0 0.2423 0.23503 2.12241 0 -0.02283 0 0.18072 0.67437 0 1.17827 ASN_21 -1.91222 0.28115 1.8518 -0.19373 0.0228 0.33054 0.49435 -0.87431 -0 -0 0.4544 -1.01263 0 0 0 0 0 0 0.06776 0.12715 0 1.81997 -0.97559 0 -0.93687 0.57496 0 0.11952 GLY_22 -1.01776 0.19662 1.40729 -6e-05 0 0 0.12258 -0.69255 -0.00424 -0.01355 0.1339 -0.41276 0 0 0 0 0 0 -0.15582 0 0 0 -1.47709 0 0.83697 -0.69529 0 -1.77177 LEU_23 -5.26853 0.99249 3.78119 -0.57466 0.31483 0.12499 2.91264 -2.21145 -0.0034 -0.01171 -2.29587 0.39849 0 0 0 0 0 0 0.27116 0.09264 0.77255 0 -0.36921 0 0.18072 -0.58369 0 -1.47683 THR_24 -3.30948 0.38819 1.3163 -0.17792 0.12366 0.06472 0.54983 -1.08894 -0.01085 -0.03569 -0.31811 -0.25034 0 0 0 0 0 0 -0.03998 1e-05 0.11603 0 -0.07351 2.30675 -1.0874 -0.15475 0 -1.68148 ILE_25 -6.78268 0.78508 1.04703 -0.49236 0.59781 0.11563 2.04474 -1.7045 -0.0034 -0.01171 -1.5724 -0.07611 0 0 0 0 0 0 0.32611 0.05496 0.28913 0 -0.66531 0 0.73287 -0.15591 0 -5.47101 ILE_26 -3.5805 0.2822 1.28622 -0.4997 0.65998 0.1251 0.31383 -1.03464 -0.00661 -0.02214 -0.21127 -0.22134 0 0 0 0 0 0 0.10965 0.05295 0.25761 0 -0.43032 0 0.73287 0.02704 0 -2.15907 VAL_27 -6.36442 0.99224 0.63187 -0.39214 0.63098 0.09768 1.7757 -1.66102 -0 -0 -1.83166 -0.32645 0 0 0 0 0 0 0.03666 0.24838 0.88933 0 -0.50253 0 1.9342 0.18667 0 -3.65451 THR_28 -5.88818 0.67029 3.79925 -0.23119 0.30346 0.10353 2.53862 -2.32802 -0.00188 -0.00725 -2.15023 -0.79735 0 0 0 -0.68867 -1.14231 0 0.09478 0.09038 1.54994 0 -0.02256 2.43196 -1.0874 0.07632 0 -2.68651 ALA_29 -4.2598 0.6676 2.00419 -0.02657 0.00326 0 1.24621 -1.88452 -0 -0 -0.58198 -0.4382 0 0 0 -0.65955 0 0 -0.04665 0 0 0 -0.00873 0 1.8394 -0.10657 0 -2.25192 SER_30 -2.29651 0.2627 2.71129 -0.03867 0.00051 0.05373 1.29337 -1.2032 -0 -0 -1.12659 -0.43284 0 0 0 -0.68867 -0.63428 0 -0.01725 5e-05 0.26787 0 -0.30266 1.72658 -0.77834 -0.43599 0 -1.6389 ARG_31 -6.88786 0.98376 5.12388 -0.46253 0.06545 0.2796 2.4895 -2.5288 -0.00188 -0.00725 -0.78415 -0.00274 0 0 0 0 0 0 -0.01842 0.04768 2.26182 0 -0.13433 0 -1.2888 0.10513 0 -0.75992 GLU_32 -2.55458 0.21185 2.88538 -0.21729 0.03026 0.30511 1.17944 -1.42085 -0 -0 -0.42005 -0.59746 0 0 0 0 0 0 0.02507 4e-05 0 3.02141 -0.30332 0 -2.7348 0.16837 0 -0.42143 TRP_33 -5.81666 0.55415 3.4323 -1.44241 0.43258 0.56745 0.84494 -1.994 -0 -0 -0.31086 -0.62636 0 0 0 0 0 0 -0.0687 4e-05 0 1.68069 -0.02525 0 1.6906 -0.36361 0 -1.4451 LEU_34 -9.2164 1.49423 4.51307 -0.7048 0.55237 0.26441 3.43984 -3.09882 -0.00691 -0.03906 -1.77627 0.17709 0 0 0 0 0 0 0.13379 0.05338 0.8652 0 -0.20821 0 0.18072 -0.01525 0 -3.39163 LEU_35 -7.8207 0.93392 3.4228 -0.53717 0.36284 0.11859 2.37849 -2.7918 -0 -0 -1.6455 0.06254 0 0 0 0 0 0 0.21537 0.07868 3.29456 0 -0.17963 0 0.18072 0.47513 0 -1.45115 GLU_36 -4.63595 0.32254 5.68043 -0.32459 0.05475 0.36583 2.63184 -2.58746 -0 -0 -2.32563 -0.5312 0 0 0 0 -0.79888 0 0.02203 0.03347 0 3.16729 -0.05169 0 -2.7348 0.46302 0 -1.24899 HIS_37 -5.09649 0.21903 4.89739 -0.73867 0.01954 0.77547 2.46704 -2.47525 -0 -0 -1.63605 -0.28422 0 0 0 0 0 0 0.04529 0.13919 0 1.53334 -0.23808 0 -0.45461 0.56332 0 -0.26376 VAL_38 -6.93297 1.02788 4.20753 -0.31342 0.28541 0.07137 2.9017 -2.77204 -0.00036 -0.00263 -2.45819 -0.07378 0 0 0 0 0 0 -0.0608 0.08554 0.08193 0 -0.28244 0 1.9342 0.55606 0 -1.745 ALA_39 -5.62425 0.46944 3.70867 -0.02201 0 0 2.70438 -2.61124 -0.00691 -0.03906 -1.68479 -0.36619 0 0 0 0 0 0 -0.04697 0 0 0 -0.34487 0 1.8394 0.06633 0 -1.95809 ARG_40 -4.25923 0.29947 5.40021 -0.62644 0.16791 0.35499 2.50386 -2.33304 -0 -0 -1.79424 0.23963 0 0 0 0 -0.79888 0 -0.01112 0.05644 2.55177 0 -0.15802 0 -1.2888 -0.20135 0 0.10316 GLU_41 -2.95308 0.10667 3.56758 -0.62981 0.17218 1.16035 1.57671 -1.63686 -0 -0 -0.41611 -0.6472 0 0 0 0 0 0 0.11549 0.03913 0 3.34413 -0.28409 0 -2.7348 -0.32952 0 0.45078 LEU_42 -6.53456 1.57629 1.33832 -0.50156 0.48201 0.11501 1.20145 -1.57182 -0 -0 -0.62085 0.2342 0 0 0 0 0 0 0.16646 0.0907 0.43042 0 -0.22038 0 0.18072 0.00985 0 -3.62374 ILE:CtermProteinFull_43 -4.21079 0.41319 2.60661 -0.58245 0.77791 0.21046 1.50849 -1.52963 -0.00036 -0.00263 -0.14405 -0.68959 0 0 0 0 0 0 0 0.00642 0.50683 0 0 0 0.73287 0.19877 0 -0.19795 #END_POSE_ENERGIES_TABLE start12_0100_0001.pdb score_per_res -2.19985 total_score -94.5937
HEEH_KT_rd6_1815.pdb
ATOM 1 N ASP A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA ASP A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C ASP A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O ASP A 1 1.406 2.330 -0.570 1.00 0.00 O ATOM 5 CB ASP A 1 1.994 -0.762 -1.214 1.00 0.00 C ATOM 6 CG ASP A 1 1.572 -2.225 -1.230 1.00 0.00 C ATOM 7 OD1 ASP A 1 1.069 -2.688 -0.234 1.00 0.00 O ATOM 8 OD2 ASP A 1 1.758 -2.865 -2.237 1.00 0.00 O ATOM 9 1H ASP A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 10 2H ASP A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 11 3H ASP A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 12 HA ASP A 1 1.804 -0.509 0.900 1.00 0.00 H ATOM 13 1HB ASP A 1 1.639 -0.286 -2.129 1.00 0.00 H ATOM 14 2HB ASP A 1 3.084 -0.713 -1.223 1.00 0.00 H ATOM 15 N GLU A 2 3.158 1.604 0.642 1.00 0.00 N ATOM 16 CA GLU A 2 3.732 2.932 0.820 1.00 0.00 C ATOM 17 C GLU A 2 4.099 3.557 -0.520 1.00 0.00 C ATOM 18 O GLU A 2 3.928 4.760 -0.722 1.00 0.00 O ATOM 19 CB GLU A 2 4.970 2.862 1.717 1.00 0.00 C ATOM 20 CG GLU A 2 4.686 2.422 3.146 1.00 0.00 C ATOM 21 CD GLU A 2 4.552 0.931 3.283 1.00 0.00 C ATOM 22 OE1 GLU A 2 4.674 0.249 2.294 1.00 0.00 O ATOM 23 OE2 GLU A 2 4.327 0.473 4.379 1.00 0.00 O ATOM 24 H GLU A 2 3.645 0.803 1.017 1.00 0.00 H ATOM 25 HA GLU A 2 2.993 3.566 1.311 1.00 0.00 H ATOM 26 1HB GLU A 2 5.691 2.165 1.289 1.00 0.00 H ATOM 27 2HB GLU A 2 5.446 3.842 1.757 1.00 0.00 H ATOM 28 1HG GLU A 2 5.498 2.762 3.788 1.00 0.00 H ATOM 29 2HG GLU A 2 3.767 2.897 3.486 1.00 0.00 H ATOM 30 N GLU A 3 4.603 2.734 -1.433 1.00 0.00 N ATOM 31 CA GLU A 3 5.057 3.217 -2.732 1.00 0.00 C ATOM 32 C GLU A 3 3.901 3.789 -3.542 1.00 0.00 C ATOM 33 O GLU A 3 4.066 4.766 -4.272 1.00 0.00 O ATOM 34 CB GLU A 3 5.731 2.087 -3.515 1.00 0.00 C ATOM 35 CG GLU A 3 7.066 1.634 -2.941 1.00 0.00 C ATOM 36 CD GLU A 3 7.664 0.478 -3.693 1.00 0.00 C ATOM 37 OE1 GLU A 3 6.993 -0.070 -4.534 1.00 0.00 O ATOM 38 OE2 GLU A 3 8.794 0.142 -3.426 1.00 0.00 O ATOM 39 H GLU A 3 4.673 1.749 -1.222 1.00 0.00 H ATOM 40 HA GLU A 3 5.794 4.004 -2.570 1.00 0.00 H ATOM 41 1HB GLU A 3 5.070 1.222 -3.547 1.00 0.00 H ATOM 42 2HB GLU A 3 5.901 2.408 -4.543 1.00 0.00 H ATOM 43 1HG GLU A 3 7.764 2.471 -2.968 1.00 0.00 H ATOM 44 2HG GLU A 3 6.924 1.350 -1.899 1.00 0.00 H ATOM 45 N LEU A 4 2.731 3.175 -3.409 1.00 0.00 N ATOM 46 CA LEU A 4 1.572 3.552 -4.210 1.00 0.00 C ATOM 47 C LEU A 4 0.841 4.737 -3.595 1.00 0.00 C ATOM 48 O LEU A 4 0.207 5.521 -4.301 1.00 0.00 O ATOM 49 CB LEU A 4 0.612 2.363 -4.343 1.00 0.00 C ATOM 50 CG LEU A 4 1.186 1.118 -5.031 1.00 0.00 C ATOM 51 CD1 LEU A 4 0.104 0.052 -5.139 1.00 0.00 C ATOM 52 CD2 LEU A 4 1.720 1.496 -6.404 1.00 0.00 C ATOM 53 H LEU A 4 2.642 2.427 -2.736 1.00 0.00 H ATOM 54 HA LEU A 4 1.917 3.832 -5.206 1.00 0.00 H ATOM 55 1HB LEU A 4 0.282 2.070 -3.348 1.00 0.00 H ATOM 56 2HB LEU A 4 -0.260 2.684 -4.913 1.00 0.00 H ATOM 57 HG LEU A 4 1.997 0.710 -4.426 1.00 0.00 H ATOM 58 1HD1 LEU A 4 0.512 -0.833 -5.627 1.00 0.00 H ATOM 59 2HD1 LEU A 4 -0.246 -0.213 -4.141 1.00 0.00 H ATOM 60 3HD1 LEU A 4 -0.729 0.438 -5.726 1.00 0.00 H ATOM 61 1HD2 LEU A 4 2.129 0.611 -6.892 1.00 0.00 H ATOM 62 2HD2 LEU A 4 0.910 1.904 -7.010 1.00 0.00 H ATOM 63 3HD2 LEU A 4 2.504 2.246 -6.296 1.00 0.00 H ATOM 64 N GLU A 5 0.931 4.862 -2.275 1.00 0.00 N ATOM 65 CA GLU A 5 0.424 6.039 -1.580 1.00 0.00 C ATOM 66 C GLU A 5 1.180 7.293 -1.997 1.00 0.00 C ATOM 67 O GLU A 5 0.586 8.356 -2.180 1.00 0.00 O ATOM 68 CB GLU A 5 0.526 5.850 -0.065 1.00 0.00 C ATOM 69 CG GLU A 5 -0.490 4.878 0.517 1.00 0.00 C ATOM 70 CD GLU A 5 -0.341 4.696 2.002 1.00 0.00 C ATOM 71 OE1 GLU A 5 0.607 5.204 2.552 1.00 0.00 O ATOM 72 OE2 GLU A 5 -1.176 4.048 2.588 1.00 0.00 O ATOM 73 H GLU A 5 1.363 4.122 -1.740 1.00 0.00 H ATOM 74 HA GLU A 5 -0.629 6.165 -1.836 1.00 0.00 H ATOM 75 1HB GLU A 5 1.522 5.486 0.190 1.00 0.00 H ATOM 76 2HB GLU A 5 0.393 6.811 0.432 1.00 0.00 H ATOM 77 1HG GLU A 5 -1.493 5.247 0.307 1.00 0.00 H ATOM 78 2HG GLU A 5 -0.377 3.913 0.025 1.00 0.00 H ATOM 79 N LYS A 6 2.494 7.164 -2.144 1.00 0.00 N ATOM 80 CA LYS A 6 3.322 8.260 -2.637 1.00 0.00 C ATOM 81 C LYS A 6 3.029 8.555 -4.103 1.00 0.00 C ATOM 82 O LYS A 6 3.027 9.711 -4.524 1.00 0.00 O ATOM 83 CB LYS A 6 4.805 7.936 -2.452 1.00 0.00 C ATOM 84 CG LYS A 6 5.274 7.939 -1.003 1.00 0.00 C ATOM 85 CD LYS A 6 6.746 7.573 -0.897 1.00 0.00 C ATOM 86 CE LYS A 6 7.211 7.556 0.551 1.00 0.00 C ATOM 87 NZ LYS A 6 8.645 7.175 0.672 1.00 0.00 N ATOM 88 H LYS A 6 2.931 6.284 -1.909 1.00 0.00 H ATOM 89 HA LYS A 6 3.100 9.151 -2.050 1.00 0.00 H ATOM 90 1HB LYS A 6 5.018 6.952 -2.870 1.00 0.00 H ATOM 91 2HB LYS A 6 5.407 8.662 -3.000 1.00 0.00 H ATOM 92 1HG LYS A 6 5.122 8.930 -0.573 1.00 0.00 H ATOM 93 2HG LYS A 6 4.688 7.221 -0.430 1.00 0.00 H ATOM 94 1HD LYS A 6 6.909 6.587 -1.334 1.00 0.00 H ATOM 95 2HD LYS A 6 7.342 8.299 -1.451 1.00 0.00 H ATOM 96 1HE LYS A 6 7.073 8.544 0.989 1.00 0.00 H ATOM 97 2HE LYS A 6 6.611 6.845 1.118 1.00 0.00 H ATOM 98 1HZ LYS A 6 8.913 7.175 1.645 1.00 0.00 H ATOM 99 2HZ LYS A 6 8.781 6.251 0.285 1.00 0.00 H ATOM 100 3HZ LYS A 6 9.214 7.838 0.166 1.00 0.00 H ATOM 101 N LEU A 7 2.782 7.502 -4.875 1.00 0.00 N ATOM 102 CA LEU A 7 2.451 7.649 -6.287 1.00 0.00 C ATOM 103 C LEU A 7 1.208 8.511 -6.473 1.00 0.00 C ATOM 104 O LEU A 7 1.212 9.462 -7.255 1.00 0.00 O ATOM 105 CB LEU A 7 2.227 6.273 -6.925 1.00 0.00 C ATOM 106 CG LEU A 7 2.111 6.260 -8.455 1.00 0.00 C ATOM 107 CD1 LEU A 7 2.668 4.950 -8.995 1.00 0.00 C ATOM 108 CD2 LEU A 7 0.655 6.441 -8.856 1.00 0.00 C ATOM 109 H LEU A 7 2.827 6.577 -4.474 1.00 0.00 H ATOM 110 HA LEU A 7 3.289 8.131 -6.791 1.00 0.00 H ATOM 111 1HB LEU A 7 3.056 5.623 -6.650 1.00 0.00 H ATOM 112 2HB LEU A 7 1.309 5.847 -6.520 1.00 0.00 H ATOM 113 HG LEU A 7 2.706 7.072 -8.872 1.00 0.00 H ATOM 114 1HD1 LEU A 7 2.586 4.940 -10.082 1.00 0.00 H ATOM 115 2HD1 LEU A 7 3.716 4.855 -8.711 1.00 0.00 H ATOM 116 3HD1 LEU A 7 2.102 4.116 -8.582 1.00 0.00 H ATOM 117 1HD2 LEU A 7 0.572 6.433 -9.943 1.00 0.00 H ATOM 118 2HD2 LEU A 7 0.059 5.629 -8.440 1.00 0.00 H ATOM 119 3HD2 LEU A 7 0.288 7.393 -8.471 1.00 0.00 H ATOM 120 N ILE A 8 0.145 8.171 -5.752 1.00 0.00 N ATOM 121 CA ILE A 8 -1.125 8.876 -5.881 1.00 0.00 C ATOM 122 C ILE A 8 -1.036 10.283 -5.303 1.00 0.00 C ATOM 123 O ILE A 8 -1.551 11.237 -5.884 1.00 0.00 O ATOM 124 CB ILE A 8 -2.256 8.103 -5.179 1.00 0.00 C ATOM 125 CG1 ILE A 8 -2.455 6.735 -5.836 1.00 0.00 C ATOM 126 CG2 ILE A 8 -3.548 8.905 -5.209 1.00 0.00 C ATOM 127 CD1 ILE A 8 -2.854 6.810 -7.292 1.00 0.00 C ATOM 128 H ILE A 8 0.219 7.406 -5.098 1.00 0.00 H ATOM 129 HA ILE A 8 -1.374 8.949 -6.940 1.00 0.00 H ATOM 130 HB ILE A 8 -1.980 7.917 -4.141 1.00 0.00 H ATOM 131 1HG1 ILE A 8 -1.534 6.159 -5.764 1.00 0.00 H ATOM 132 2HG1 ILE A 8 -3.228 6.183 -5.300 1.00 0.00 H ATOM 133 1HG2 ILE A 8 -4.336 8.344 -4.709 1.00 0.00 H ATOM 134 2HG2 ILE A 8 -3.398 9.855 -4.697 1.00 0.00 H ATOM 135 3HG2 ILE A 8 -3.835 9.092 -6.244 1.00 0.00 H ATOM 136 1HD1 ILE A 8 -2.977 5.801 -7.688 1.00 0.00 H ATOM 137 2HD1 ILE A 8 -3.795 7.353 -7.385 1.00 0.00 H ATOM 138 3HD1 ILE A 8 -2.079 7.327 -7.855 1.00 0.00 H ATOM 139 N LYS A 9 -0.379 10.404 -4.154 1.00 0.00 N ATOM 140 CA LYS A 9 -0.219 11.695 -3.496 1.00 0.00 C ATOM 141 C LYS A 9 0.493 12.691 -4.403 1.00 0.00 C ATOM 142 O LYS A 9 0.070 13.840 -4.532 1.00 0.00 O ATOM 143 CB LYS A 9 0.550 11.536 -2.184 1.00 0.00 C ATOM 144 CG LYS A 9 0.739 12.830 -1.404 1.00 0.00 C ATOM 145 CD LYS A 9 1.461 12.583 -0.088 1.00 0.00 C ATOM 146 CE LYS A 9 1.691 13.881 0.671 1.00 0.00 C ATOM 147 NZ LYS A 9 2.407 13.656 1.956 1.00 0.00 N ATOM 148 H LYS A 9 0.020 9.581 -3.726 1.00 0.00 H ATOM 149 HA LYS A 9 -1.208 12.086 -3.256 1.00 0.00 H ATOM 150 1HB LYS A 9 0.025 10.830 -1.538 1.00 0.00 H ATOM 151 2HB LYS A 9 1.537 11.121 -2.388 1.00 0.00 H ATOM 152 1HG LYS A 9 1.321 13.533 -2.001 1.00 0.00 H ATOM 153 2HG LYS A 9 -0.234 13.276 -1.197 1.00 0.00 H ATOM 154 1HD LYS A 9 0.867 11.910 0.532 1.00 0.00 H ATOM 155 2HD LYS A 9 2.424 12.112 -0.284 1.00 0.00 H ATOM 156 1HE LYS A 9 2.279 14.562 0.057 1.00 0.00 H ATOM 157 2HE LYS A 9 0.732 14.354 0.882 1.00 0.00 H ATOM 158 1HZ LYS A 9 2.539 14.539 2.428 1.00 0.00 H ATOM 159 2HZ LYS A 9 1.861 13.040 2.542 1.00 0.00 H ATOM 160 3HZ LYS A 9 3.306 13.235 1.772 1.00 0.00 H ATOM 161 N LYS A 10 1.576 12.244 -5.028 1.00 0.00 N ATOM 162 CA LYS A 10 2.344 13.093 -5.932 1.00 0.00 C ATOM 163 C LYS A 10 1.498 13.543 -7.116 1.00 0.00 C ATOM 164 O LYS A 10 1.554 14.703 -7.525 1.00 0.00 O ATOM 165 CB LYS A 10 3.592 12.359 -6.427 1.00 0.00 C ATOM 166 CG LYS A 10 4.490 13.187 -7.336 1.00 0.00 C ATOM 167 CD LYS A 10 5.761 12.432 -7.694 1.00 0.00 C ATOM 168 CE LYS A 10 6.653 13.253 -8.614 1.00 0.00 C ATOM 169 NZ LYS A 10 7.916 12.539 -8.946 1.00 0.00 N ATOM 170 H LYS A 10 1.876 11.292 -4.874 1.00 0.00 H ATOM 171 HA LYS A 10 2.674 13.974 -5.382 1.00 0.00 H ATOM 172 1HB LYS A 10 4.187 12.036 -5.572 1.00 0.00 H ATOM 173 2HB LYS A 10 3.294 11.464 -6.975 1.00 0.00 H ATOM 174 1HG LYS A 10 3.953 13.433 -8.253 1.00 0.00 H ATOM 175 2HG LYS A 10 4.759 14.116 -6.833 1.00 0.00 H ATOM 176 1HD LYS A 10 6.312 12.194 -6.784 1.00 0.00 H ATOM 177 2HD LYS A 10 5.501 11.499 -8.194 1.00 0.00 H ATOM 178 1HE LYS A 10 6.120 13.472 -9.537 1.00 0.00 H ATOM 179 2HE LYS A 10 6.901 14.198 -8.131 1.00 0.00 H ATOM 180 1HZ LYS A 10 8.478 13.115 -9.556 1.00 0.00 H ATOM 181 2HZ LYS A 10 8.429 12.347 -8.097 1.00 0.00 H ATOM 182 3HZ LYS A 10 7.699 11.669 -9.412 1.00 0.00 H ATOM 183 N LEU A 11 0.715 12.620 -7.663 1.00 0.00 N ATOM 184 CA LEU A 11 -0.159 12.925 -8.788 1.00 0.00 C ATOM 185 C LEU A 11 -1.168 14.007 -8.425 1.00 0.00 C ATOM 186 O LEU A 11 -1.423 14.921 -9.209 1.00 0.00 O ATOM 187 CB LEU A 11 -0.898 11.660 -9.243 1.00 0.00 C ATOM 188 CG LEU A 11 -1.916 11.855 -10.375 1.00 0.00 C ATOM 189 CD1 LEU A 11 -1.207 12.397 -11.608 1.00 0.00 C ATOM 190 CD2 LEU A 11 -2.600 10.530 -10.675 1.00 0.00 C ATOM 191 H LEU A 11 0.726 11.681 -7.289 1.00 0.00 H ATOM 192 HA LEU A 11 0.454 13.283 -9.617 1.00 0.00 H ATOM 193 1HB LEU A 11 -0.164 10.931 -9.580 1.00 0.00 H ATOM 194 2HB LEU A 11 -1.429 11.242 -8.388 1.00 0.00 H ATOM 195 HG LEU A 11 -2.663 12.588 -10.070 1.00 0.00 H ATOM 196 1HD1 LEU A 11 -1.930 12.535 -12.412 1.00 0.00 H ATOM 197 2HD1 LEU A 11 -0.743 13.354 -11.370 1.00 0.00 H ATOM 198 3HD1 LEU A 11 -0.441 11.691 -11.927 1.00 0.00 H ATOM 199 1HD2 LEU A 11 -3.324 10.668 -11.479 1.00 0.00 H ATOM 200 2HD2 LEU A 11 -1.854 9.796 -10.981 1.00 0.00 H ATOM 201 3HD2 LEU A 11 -3.114 10.175 -9.782 1.00 0.00 H ATOM 202 N ARG A 12 -1.740 13.898 -7.231 1.00 0.00 N ATOM 203 CA ARG A 12 -2.721 14.869 -6.759 1.00 0.00 C ATOM 204 C ARG A 12 -2.106 16.258 -6.642 1.00 0.00 C ATOM 205 O ARG A 12 -2.738 17.258 -6.986 1.00 0.00 O ATOM 206 CB ARG A 12 -3.282 14.451 -5.408 1.00 0.00 C ATOM 207 CG ARG A 12 -4.236 13.268 -5.451 1.00 0.00 C ATOM 208 CD ARG A 12 -4.676 12.868 -4.090 1.00 0.00 C ATOM 209 NE ARG A 12 -5.607 11.751 -4.127 1.00 0.00 N ATOM 210 CZ ARG A 12 -6.935 11.868 -4.319 1.00 0.00 C ATOM 211 NH1 ARG A 12 -7.473 13.056 -4.490 1.00 0.00 N ATOM 212 NH2 ARG A 12 -7.698 10.789 -4.337 1.00 0.00 N ATOM 213 H ARG A 12 -1.490 13.122 -6.634 1.00 0.00 H ATOM 214 HA ARG A 12 -3.541 14.908 -7.476 1.00 0.00 H ATOM 215 1HB ARG A 12 -2.463 14.190 -4.739 1.00 0.00 H ATOM 216 2HB ARG A 12 -3.816 15.289 -4.961 1.00 0.00 H ATOM 217 1HG ARG A 12 -5.119 13.533 -6.033 1.00 0.00 H ATOM 218 2HG ARG A 12 -3.738 12.415 -5.915 1.00 0.00 H ATOM 219 1HD ARG A 12 -3.810 12.570 -3.500 1.00 0.00 H ATOM 220 2HD ARG A 12 -5.172 13.708 -3.606 1.00 0.00 H ATOM 221 HE ARG A 12 -5.230 10.821 -4.000 1.00 0.00 H ATOM 222 1HH1 ARG A 12 -6.889 13.880 -4.476 1.00 0.00 H ATOM 223 2HH1 ARG A 12 -8.468 13.143 -4.634 1.00 0.00 H ATOM 224 1HH2 ARG A 12 -7.285 9.876 -4.206 1.00 0.00 H ATOM 225 2HH2 ARG A 12 -8.693 10.877 -4.481 1.00 0.00 H ATOM 226 N GLU A 13 -0.872 16.315 -6.154 1.00 0.00 N ATOM 227 CA GLU A 13 -0.165 17.581 -6.005 1.00 0.00 C ATOM 228 C GLU A 13 0.166 18.191 -7.362 1.00 0.00 C ATOM 229 O GLU A 13 0.060 19.403 -7.551 1.00 0.00 O ATOM 230 CB GLU A 13 1.120 17.383 -5.198 1.00 0.00 C ATOM 231 CG GLU A 13 0.895 17.088 -3.722 1.00 0.00 C ATOM 232 CD GLU A 13 2.178 16.893 -2.963 1.00 0.00 C ATOM 233 OE1 GLU A 13 3.210 16.824 -3.586 1.00 0.00 O ATOM 234 OE2 GLU A 13 2.126 16.813 -1.758 1.00 0.00 O ATOM 235 H GLU A 13 -0.412 15.459 -5.879 1.00 0.00 H ATOM 236 HA GLU A 13 -0.805 18.274 -5.458 1.00 0.00 H ATOM 237 1HB GLU A 13 1.692 16.557 -5.621 1.00 0.00 H ATOM 238 2HB GLU A 13 1.737 18.279 -5.270 1.00 0.00 H ATOM 239 1HG GLU A 13 0.346 17.917 -3.276 1.00 0.00 H ATOM 240 2HG GLU A 13 0.284 16.192 -3.630 1.00 0.00 H ATOM 241 N LEU A 14 0.564 17.343 -8.304 1.00 0.00 N ATOM 242 CA LEU A 14 0.895 17.795 -9.651 1.00 0.00 C ATOM 243 C LEU A 14 -0.334 18.341 -10.365 1.00 0.00 C ATOM 244 O LEU A 14 -0.250 19.326 -11.099 1.00 0.00 O ATOM 245 CB LEU A 14 1.496 16.641 -10.464 1.00 0.00 C ATOM 246 CG LEU A 14 2.892 16.176 -10.029 1.00 0.00 C ATOM 247 CD1 LEU A 14 3.223 14.856 -10.710 1.00 0.00 C ATOM 248 CD2 LEU A 14 3.915 17.245 -10.380 1.00 0.00 C ATOM 249 H LEU A 14 0.641 16.361 -8.082 1.00 0.00 H ATOM 250 HA LEU A 14 1.639 18.590 -9.576 1.00 0.00 H ATOM 251 1HB LEU A 14 0.827 15.785 -10.399 1.00 0.00 H ATOM 252 2HB LEU A 14 1.559 16.948 -11.508 1.00 0.00 H ATOM 253 HG LEU A 14 2.899 16.007 -8.952 1.00 0.00 H ATOM 254 1HD1 LEU A 14 4.215 14.525 -10.401 1.00 0.00 H ATOM 255 2HD1 LEU A 14 2.486 14.104 -10.426 1.00 0.00 H ATOM 256 3HD1 LEU A 14 3.207 14.990 -11.791 1.00 0.00 H ATOM 257 1HD2 LEU A 14 4.907 16.915 -10.070 1.00 0.00 H ATOM 258 2HD2 LEU A 14 3.910 17.415 -11.457 1.00 0.00 H ATOM 259 3HD2 LEU A 14 3.664 18.173 -9.866 1.00 0.00 H ATOM 260 N ASN A 15 -1.475 17.696 -10.147 1.00 0.00 N ATOM 261 CA ASN A 15 -2.715 18.089 -10.806 1.00 0.00 C ATOM 262 C ASN A 15 -2.560 18.080 -12.321 1.00 0.00 C ATOM 263 O ASN A 15 -2.988 19.012 -13.004 1.00 0.00 O ATOM 264 CB ASN A 15 -3.168 19.454 -10.323 1.00 0.00 C ATOM 265 CG ASN A 15 -4.618 19.719 -10.616 1.00 0.00 C ATOM 266 OD1 ASN A 15 -5.437 18.793 -10.650 1.00 0.00 O ATOM 267 ND2 ASN A 15 -4.953 20.966 -10.829 1.00 0.00 N ATOM 268 H ASN A 15 -1.483 16.913 -9.510 1.00 0.00 H ATOM 269 HA ASN A 15 -3.486 17.358 -10.556 1.00 0.00 H ATOM 270 1HB ASN A 15 -3.006 19.532 -9.247 1.00 0.00 H ATOM 271 2HB ASN A 15 -2.566 20.227 -10.802 1.00 0.00 H ATOM 272 1HD2 ASN A 15 -5.905 21.202 -11.028 1.00 0.00 H ATOM 273 2HD2 ASN A 15 -4.258 21.684 -10.792 1.00 0.00 H ATOM 274 N THR A 16 -1.946 17.025 -12.843 1.00 0.00 N ATOM 275 CA THR A 16 -1.736 16.892 -14.280 1.00 0.00 C ATOM 276 C THR A 16 -2.477 15.683 -14.836 1.00 0.00 C ATOM 277 O THR A 16 -3.149 14.962 -14.098 1.00 0.00 O ATOM 278 CB THR A 16 -0.237 16.777 -14.613 1.00 0.00 C ATOM 279 OG1 THR A 16 -0.053 16.849 -16.033 1.00 0.00 O ATOM 280 CG2 THR A 16 0.325 15.460 -14.099 1.00 0.00 C ATOM 281 H THR A 16 -1.615 16.294 -12.229 1.00 0.00 H ATOM 282 HA THR A 16 -2.115 17.790 -14.769 1.00 0.00 H ATOM 283 HB THR A 16 0.303 17.602 -14.148 1.00 0.00 H ATOM 284 HG1 THR A 16 0.836 17.156 -16.225 1.00 0.00 H ATOM 285 1HG2 THR A 16 1.385 15.397 -14.343 1.00 0.00 H ATOM 286 2HG2 THR A 16 0.197 15.407 -13.018 1.00 0.00 H ATOM 287 3HG2 THR A 16 -0.205 14.632 -14.568 1.00 0.00 H ATOM 288 N THR A 17 -2.352 15.467 -16.141 1.00 0.00 N ATOM 289 CA THR A 17 -3.073 14.392 -16.812 1.00 0.00 C ATOM 290 C THR A 17 -2.174 13.184 -17.041 1.00 0.00 C ATOM 291 O THR A 17 -1.125 13.291 -17.677 1.00 0.00 O ATOM 292 CB THR A 17 -3.652 14.868 -18.158 1.00 0.00 C ATOM 293 OG1 THR A 17 -4.540 15.971 -17.935 1.00 0.00 O ATOM 294 CG2 THR A 17 -4.410 13.741 -18.841 1.00 0.00 C ATOM 295 H THR A 17 -1.741 16.062 -16.682 1.00 0.00 H ATOM 296 HA THR A 17 -3.910 14.090 -16.182 1.00 0.00 H ATOM 297 HB THR A 17 -2.840 15.198 -18.806 1.00 0.00 H ATOM 298 HG1 THR A 17 -4.028 16.772 -17.803 1.00 0.00 H ATOM 299 1HG2 THR A 17 -4.811 14.095 -19.791 1.00 0.00 H ATOM 300 2HG2 THR A 17 -3.734 12.905 -19.022 1.00 0.00 H ATOM 301 3HG2 THR A 17 -5.228 13.413 -18.202 1.00 0.00 H ATOM 302 N VAL A 18 -2.590 12.036 -16.518 1.00 0.00 N ATOM 303 CA VAL A 18 -1.838 10.799 -16.691 1.00 0.00 C ATOM 304 C VAL A 18 -2.756 9.645 -17.072 1.00 0.00 C ATOM 305 O VAL A 18 -3.974 9.728 -16.913 1.00 0.00 O ATOM 306 CB VAL A 18 -1.085 10.446 -15.395 1.00 0.00 C ATOM 307 CG1 VAL A 18 -0.129 11.566 -15.012 1.00 0.00 C ATOM 308 CG2 VAL A 18 -2.079 10.179 -14.275 1.00 0.00 C ATOM 309 H VAL A 18 -3.450 12.019 -15.989 1.00 0.00 H ATOM 310 HA VAL A 18 -1.110 10.945 -17.489 1.00 0.00 H ATOM 311 HB VAL A 18 -0.482 9.554 -15.567 1.00 0.00 H ATOM 312 1HG1 VAL A 18 0.395 11.300 -14.094 1.00 0.00 H ATOM 313 2HG1 VAL A 18 0.595 11.715 -15.812 1.00 0.00 H ATOM 314 3HG1 VAL A 18 -0.692 12.486 -14.854 1.00 0.00 H ATOM 315 1HG2 VAL A 18 -1.540 9.929 -13.361 1.00 0.00 H ATOM 316 2HG2 VAL A 18 -2.686 11.069 -14.107 1.00 0.00 H ATOM 317 3HG2 VAL A 18 -2.726 9.347 -14.553 1.00 0.00 H ATOM 318 N VAL A 19 -2.164 8.566 -17.576 1.00 0.00 N ATOM 319 CA VAL A 19 -2.887 7.313 -17.763 1.00 0.00 C ATOM 320 C VAL A 19 -2.204 6.169 -17.025 1.00 0.00 C ATOM 321 O VAL A 19 -1.062 5.819 -17.323 1.00 0.00 O ATOM 322 CB VAL A 19 -2.981 6.969 -19.261 1.00 0.00 C ATOM 323 CG1 VAL A 19 -3.730 5.660 -19.461 1.00 0.00 C ATOM 324 CG2 VAL A 19 -3.665 8.102 -20.011 1.00 0.00 C ATOM 325 H VAL A 19 -1.191 8.616 -17.836 1.00 0.00 H ATOM 326 HA VAL A 19 -3.896 7.433 -17.366 1.00 0.00 H ATOM 327 HB VAL A 19 -1.975 6.826 -19.656 1.00 0.00 H ATOM 328 1HG1 VAL A 19 -3.787 5.432 -20.526 1.00 0.00 H ATOM 329 2HG1 VAL A 19 -3.203 4.857 -18.946 1.00 0.00 H ATOM 330 3HG1 VAL A 19 -4.738 5.752 -19.056 1.00 0.00 H ATOM 331 1HG2 VAL A 19 -3.728 7.852 -21.069 1.00 0.00 H ATOM 332 2HG2 VAL A 19 -4.669 8.248 -19.612 1.00 0.00 H ATOM 333 3HG2 VAL A 19 -3.089 9.019 -19.888 1.00 0.00 H ATOM 334 N ILE A 20 -2.910 5.590 -16.059 1.00 0.00 N ATOM 335 CA ILE A 20 -2.362 4.503 -15.256 1.00 0.00 C ATOM 336 C ILE A 20 -3.188 3.232 -15.413 1.00 0.00 C ATOM 337 O ILE A 20 -4.328 3.161 -14.954 1.00 0.00 O ATOM 338 CB ILE A 20 -2.300 4.896 -13.769 1.00 0.00 C ATOM 339 CG1 ILE A 20 -1.411 6.127 -13.579 1.00 0.00 C ATOM 340 CG2 ILE A 20 -1.789 3.732 -12.933 1.00 0.00 C ATOM 341 CD1 ILE A 20 -1.482 6.723 -12.191 1.00 0.00 C ATOM 342 H ILE A 20 -3.850 5.911 -15.877 1.00 0.00 H ATOM 343 HA ILE A 20 -1.344 4.303 -15.594 1.00 0.00 H ATOM 344 HB ILE A 20 -3.296 5.170 -13.423 1.00 0.00 H ATOM 345 1HG1 ILE A 20 -0.375 5.863 -13.785 1.00 0.00 H ATOM 346 2HG1 ILE A 20 -1.699 6.898 -14.294 1.00 0.00 H ATOM 347 1HG2 ILE A 20 -1.751 4.027 -11.884 1.00 0.00 H ATOM 348 2HG2 ILE A 20 -2.460 2.881 -13.046 1.00 0.00 H ATOM 349 3HG2 ILE A 20 -0.790 3.454 -13.268 1.00 0.00 H ATOM 350 1HD1 ILE A 20 -0.826 7.592 -12.134 1.00 0.00 H ATOM 351 2HD1 ILE A 20 -2.507 7.027 -11.977 1.00 0.00 H ATOM 352 3HD1 ILE A 20 -1.163 5.980 -11.460 1.00 0.00 H ATOM 353 N GLY A 21 -2.606 2.231 -16.063 1.00 0.00 N ATOM 354 CA GLY A 21 -3.283 0.957 -16.273 1.00 0.00 C ATOM 355 C GLY A 21 -4.394 1.088 -17.307 1.00 0.00 C ATOM 356 O GLY A 21 -5.270 0.230 -17.403 1.00 0.00 O ATOM 357 H GLY A 21 -1.670 2.355 -16.420 1.00 0.00 H ATOM 358 1HA GLY A 21 -2.560 0.210 -16.601 1.00 0.00 H ATOM 359 2HA GLY A 21 -3.700 0.608 -15.329 1.00 0.00 H ATOM 360 N GLY A 22 -4.350 2.168 -18.081 1.00 0.00 N ATOM 361 CA GLY A 22 -5.392 2.450 -19.062 1.00 0.00 C ATOM 362 C GLY A 22 -6.442 3.395 -18.493 1.00 0.00 C ATOM 363 O GLY A 22 -7.367 3.806 -19.195 1.00 0.00 O ATOM 364 H GLY A 22 -3.576 2.810 -17.987 1.00 0.00 H ATOM 365 1HA GLY A 22 -4.944 2.891 -19.951 1.00 0.00 H ATOM 366 2HA GLY A 22 -5.865 1.518 -19.369 1.00 0.00 H ATOM 367 N VAL A 23 -6.295 3.738 -17.217 1.00 0.00 N ATOM 368 CA VAL A 23 -7.214 4.659 -16.560 1.00 0.00 C ATOM 369 C VAL A 23 -6.724 6.097 -16.666 1.00 0.00 C ATOM 370 O VAL A 23 -5.703 6.459 -16.081 1.00 0.00 O ATOM 371 CB VAL A 23 -7.376 4.283 -15.075 1.00 0.00 C ATOM 372 CG1 VAL A 23 -8.317 5.256 -14.379 1.00 0.00 C ATOM 373 CG2 VAL A 23 -7.890 2.856 -14.955 1.00 0.00 C ATOM 374 H VAL A 23 -5.526 3.350 -16.690 1.00 0.00 H ATOM 375 HA VAL A 23 -8.187 4.584 -17.048 1.00 0.00 H ATOM 376 HB VAL A 23 -6.408 4.364 -14.582 1.00 0.00 H ATOM 377 1HG1 VAL A 23 -8.419 4.975 -13.331 1.00 0.00 H ATOM 378 2HG1 VAL A 23 -7.911 6.265 -14.446 1.00 0.00 H ATOM 379 3HG1 VAL A 23 -9.294 5.223 -14.860 1.00 0.00 H ATOM 380 1HG2 VAL A 23 -8.001 2.597 -13.903 1.00 0.00 H ATOM 381 2HG2 VAL A 23 -8.856 2.774 -15.454 1.00 0.00 H ATOM 382 3HG2 VAL A 23 -7.181 2.174 -15.424 1.00 0.00 H ATOM 383 N LYS A 24 -7.455 6.913 -17.417 1.00 0.00 N ATOM 384 CA LYS A 24 -7.081 8.306 -17.624 1.00 0.00 C ATOM 385 C LYS A 24 -7.530 9.177 -16.458 1.00 0.00 C ATOM 386 O LYS A 24 -8.701 9.165 -16.077 1.00 0.00 O ATOM 387 CB LYS A 24 -7.674 8.832 -18.932 1.00 0.00 C ATOM 388 CG LYS A 24 -7.268 10.258 -19.279 1.00 0.00 C ATOM 389 CD LYS A 24 -7.817 10.675 -20.635 1.00 0.00 C ATOM 390 CE LYS A 24 -7.416 12.101 -20.981 1.00 0.00 C ATOM 391 NZ LYS A 24 -7.949 12.524 -22.305 1.00 0.00 N ATOM 392 H LYS A 24 -8.295 6.558 -17.855 1.00 0.00 H ATOM 393 HA LYS A 24 -5.994 8.363 -17.706 1.00 0.00 H ATOM 394 1HB LYS A 24 -7.367 8.187 -19.756 1.00 0.00 H ATOM 395 2HB LYS A 24 -8.762 8.798 -18.878 1.00 0.00 H ATOM 396 1HG LYS A 24 -7.647 10.940 -18.518 1.00 0.00 H ATOM 397 2HG LYS A 24 -6.181 10.332 -19.299 1.00 0.00 H ATOM 398 1HD LYS A 24 -7.437 10.002 -21.405 1.00 0.00 H ATOM 399 2HD LYS A 24 -8.905 10.607 -20.624 1.00 0.00 H ATOM 400 1HE LYS A 24 -7.793 12.780 -20.218 1.00 0.00 H ATOM 401 2HE LYS A 24 -6.329 12.179 -21.001 1.00 0.00 H ATOM 402 1HZ LYS A 24 -7.661 13.473 -22.497 1.00 0.00 H ATOM 403 2HZ LYS A 24 -7.591 11.911 -23.024 1.00 0.00 H ATOM 404 3HZ LYS A 24 -8.958 12.474 -22.294 1.00 0.00 H ATOM 405 N ILE A 25 -6.594 9.932 -15.895 1.00 0.00 N ATOM 406 CA ILE A 25 -6.885 10.789 -14.751 1.00 0.00 C ATOM 407 C ILE A 25 -6.742 12.260 -15.115 1.00 0.00 C ATOM 408 O ILE A 25 -5.689 12.696 -15.581 1.00 0.00 O ATOM 409 CB ILE A 25 -5.957 10.460 -13.568 1.00 0.00 C ATOM 410 CG1 ILE A 25 -6.137 9.003 -13.136 1.00 0.00 C ATOM 411 CG2 ILE A 25 -6.226 11.401 -12.403 1.00 0.00 C ATOM 412 CD1 ILE A 25 -5.073 8.512 -12.181 1.00 0.00 C ATOM 413 H ILE A 25 -5.655 9.912 -16.268 1.00 0.00 H ATOM 414 HA ILE A 25 -7.912 10.605 -14.434 1.00 0.00 H ATOM 415 HB ILE A 25 -4.918 10.570 -13.878 1.00 0.00 H ATOM 416 1HG1 ILE A 25 -7.108 8.884 -12.655 1.00 0.00 H ATOM 417 2HG1 ILE A 25 -6.128 8.359 -14.016 1.00 0.00 H ATOM 418 1HG2 ILE A 25 -5.562 11.155 -11.575 1.00 0.00 H ATOM 419 2HG2 ILE A 25 -6.048 12.429 -12.717 1.00 0.00 H ATOM 420 3HG2 ILE A 25 -7.262 11.294 -12.081 1.00 0.00 H ATOM 421 1HD1 ILE A 25 -5.268 7.472 -11.922 1.00 0.00 H ATOM 422 2HD1 ILE A 25 -4.094 8.590 -12.656 1.00 0.00 H ATOM 423 3HD1 ILE A 25 -5.087 9.120 -11.277 1.00 0.00 H ATOM 424 N THR A 26 -7.809 13.024 -14.900 1.00 0.00 N ATOM 425 CA THR A 26 -7.773 14.467 -15.108 1.00 0.00 C ATOM 426 C THR A 26 -8.109 15.217 -13.825 1.00 0.00 C ATOM 427 O THR A 26 -8.353 14.606 -12.784 1.00 0.00 O ATOM 428 CB THR A 26 -8.745 14.891 -16.224 1.00 0.00 C ATOM 429 OG1 THR A 26 -10.094 14.648 -15.804 1.00 0.00 O ATOM 430 CG2 THR A 26 -8.466 14.109 -17.499 1.00 0.00 C ATOM 431 H THR A 26 -8.667 12.593 -14.585 1.00 0.00 H ATOM 432 HA THR A 26 -6.766 14.746 -15.423 1.00 0.00 H ATOM 433 HB THR A 26 -8.627 15.956 -16.424 1.00 0.00 H ATOM 434 HG1 THR A 26 -10.358 15.323 -15.174 1.00 0.00 H ATOM 435 1HG2 THR A 26 -9.162 14.423 -18.277 1.00 0.00 H ATOM 436 2HG2 THR A 26 -7.445 14.301 -17.827 1.00 0.00 H ATOM 437 3HG2 THR A 26 -8.592 13.045 -17.308 1.00 0.00 H ATOM 438 N GLU A 27 -8.118 16.542 -13.905 1.00 0.00 N ATOM 439 CA GLU A 27 -8.446 17.378 -12.756 1.00 0.00 C ATOM 440 C GLU A 27 -9.833 17.052 -12.217 1.00 0.00 C ATOM 441 O GLU A 27 -10.815 17.058 -12.959 1.00 0.00 O ATOM 442 CB GLU A 27 -8.369 18.859 -13.134 1.00 0.00 C ATOM 443 CG GLU A 27 -8.618 19.816 -11.977 1.00 0.00 C ATOM 444 CD GLU A 27 -8.517 21.261 -12.381 1.00 0.00 C ATOM 445 OE1 GLU A 27 -9.289 21.683 -13.208 1.00 0.00 O ATOM 446 OE2 GLU A 27 -7.665 21.944 -11.862 1.00 0.00 O ATOM 447 H GLU A 27 -7.892 16.983 -14.786 1.00 0.00 H ATOM 448 HA GLU A 27 -7.713 17.189 -11.971 1.00 0.00 H ATOM 449 1HB GLU A 27 -7.384 19.079 -13.544 1.00 0.00 H ATOM 450 2HB GLU A 27 -9.103 19.075 -13.910 1.00 0.00 H ATOM 451 1HG GLU A 27 -9.614 19.633 -11.575 1.00 0.00 H ATOM 452 2HG GLU A 27 -7.895 19.613 -11.189 1.00 0.00 H ATOM 453 N GLY A 28 -9.907 16.769 -10.921 1.00 0.00 N ATOM 454 CA GLY A 28 -11.186 16.535 -10.260 1.00 0.00 C ATOM 455 C GLY A 28 -11.664 15.105 -10.474 1.00 0.00 C ATOM 456 O GLY A 28 -12.746 14.729 -10.026 1.00 0.00 O ATOM 457 H GLY A 28 -9.056 16.714 -10.380 1.00 0.00 H ATOM 458 1HA GLY A 28 -11.085 16.733 -9.193 1.00 0.00 H ATOM 459 2HA GLY A 28 -11.928 17.233 -10.647 1.00 0.00 H ATOM 460 N ALA A 29 -10.850 14.312 -11.162 1.00 0.00 N ATOM 461 CA ALA A 29 -11.226 12.947 -11.511 1.00 0.00 C ATOM 462 C ALA A 29 -10.954 11.988 -10.359 1.00 0.00 C ATOM 463 O ALA A 29 -10.036 11.171 -10.422 1.00 0.00 O ATOM 464 CB ALA A 29 -10.483 12.496 -12.761 1.00 0.00 C ATOM 465 H ALA A 29 -9.949 14.663 -11.451 1.00 0.00 H ATOM 466 HA ALA A 29 -12.292 12.928 -11.737 1.00 0.00 H ATOM 467 1HB ALA A 29 -10.774 11.475 -13.008 1.00 0.00 H ATOM 468 2HB ALA A 29 -10.733 13.156 -13.591 1.00 0.00 H ATOM 469 3HB ALA A 29 -9.410 12.532 -12.579 1.00 0.00 H ATOM 470 N GLU A 30 -11.757 12.095 -9.306 1.00 0.00 N ATOM 471 CA GLU A 30 -11.539 11.313 -8.095 1.00 0.00 C ATOM 472 C GLU A 30 -11.690 9.822 -8.368 1.00 0.00 C ATOM 473 O GLU A 30 -10.957 9.002 -7.814 1.00 0.00 O ATOM 474 CB GLU A 30 -12.517 11.743 -6.999 1.00 0.00 C ATOM 475 CG GLU A 30 -12.259 13.133 -6.435 1.00 0.00 C ATOM 476 CD GLU A 30 -13.219 13.509 -5.341 1.00 0.00 C ATOM 477 OE1 GLU A 30 -14.144 12.768 -5.109 1.00 0.00 O ATOM 478 OE2 GLU A 30 -13.027 14.538 -4.738 1.00 0.00 O ATOM 479 H GLU A 30 -12.537 12.735 -9.345 1.00 0.00 H ATOM 480 HA GLU A 30 -10.526 11.502 -7.737 1.00 0.00 H ATOM 481 1HB GLU A 30 -13.534 11.726 -7.392 1.00 0.00 H ATOM 482 2HB GLU A 30 -12.473 11.034 -6.173 1.00 0.00 H ATOM 483 1HG GLU A 30 -11.244 13.171 -6.041 1.00 0.00 H ATOM 484 2HG GLU A 30 -12.332 13.861 -7.243 1.00 0.00 H ATOM 485 N GLU A 31 -12.645 9.476 -9.224 1.00 0.00 N ATOM 486 CA GLU A 31 -12.915 8.081 -9.549 1.00 0.00 C ATOM 487 C GLU A 31 -11.753 7.458 -10.312 1.00 0.00 C ATOM 488 O GLU A 31 -11.372 6.315 -10.056 1.00 0.00 O ATOM 489 CB GLU A 31 -14.199 7.963 -10.373 1.00 0.00 C ATOM 490 CG GLU A 31 -15.465 8.351 -9.622 1.00 0.00 C ATOM 491 CD GLU A 31 -15.667 9.839 -9.545 1.00 0.00 C ATOM 492 OE1 GLU A 31 -14.904 10.555 -10.149 1.00 0.00 O ATOM 493 OE2 GLU A 31 -16.585 10.260 -8.882 1.00 0.00 O ATOM 494 H GLU A 31 -13.198 10.199 -9.663 1.00 0.00 H ATOM 495 HA GLU A 31 -13.057 7.531 -8.618 1.00 0.00 H ATOM 496 1HB GLU A 31 -14.125 8.599 -11.255 1.00 0.00 H ATOM 497 2HB GLU A 31 -14.317 6.936 -10.719 1.00 0.00 H ATOM 498 1HG GLU A 31 -16.323 7.905 -10.124 1.00 0.00 H ATOM 499 2HG GLU A 31 -15.416 7.943 -8.614 1.00 0.00 H ATOM 500 N ALA A 32 -11.194 8.215 -11.249 1.00 0.00 N ATOM 501 CA ALA A 32 -10.083 7.733 -12.062 1.00 0.00 C ATOM 502 C ALA A 32 -8.859 7.440 -11.204 1.00 0.00 C ATOM 503 O ALA A 32 -8.124 6.486 -11.459 1.00 0.00 O ATOM 504 CB ALA A 32 -9.740 8.746 -13.144 1.00 0.00 C ATOM 505 H ALA A 32 -11.547 9.148 -11.402 1.00 0.00 H ATOM 506 HA ALA A 32 -10.392 6.811 -12.557 1.00 0.00 H ATOM 507 1HB ALA A 32 -8.910 8.372 -13.742 1.00 0.00 H ATOM 508 2HB ALA A 32 -10.608 8.902 -13.785 1.00 0.00 H ATOM 509 3HB ALA A 32 -9.457 9.690 -12.681 1.00 0.00 H ATOM 510 N ILE A 33 -8.645 8.267 -10.186 1.00 0.00 N ATOM 511 CA ILE A 33 -7.521 8.085 -9.276 1.00 0.00 C ATOM 512 C ILE A 33 -7.671 6.807 -8.462 1.00 0.00 C ATOM 513 O ILE A 33 -6.724 6.033 -8.322 1.00 0.00 O ATOM 514 CB ILE A 33 -7.385 9.287 -8.324 1.00 0.00 C ATOM 515 CG1 ILE A 33 -6.994 10.545 -9.105 1.00 0.00 C ATOM 516 CG2 ILE A 33 -6.362 8.993 -7.238 1.00 0.00 C ATOM 517 CD1 ILE A 33 -7.131 11.824 -8.312 1.00 0.00 C ATOM 518 H ILE A 33 -9.278 9.040 -10.039 1.00 0.00 H ATOM 519 HA ILE A 33 -6.606 8.019 -9.865 1.00 0.00 H ATOM 520 HB ILE A 33 -8.348 9.493 -7.858 1.00 0.00 H ATOM 521 1HG1 ILE A 33 -5.961 10.459 -9.439 1.00 0.00 H ATOM 522 2HG1 ILE A 33 -7.618 10.629 -9.996 1.00 0.00 H ATOM 523 1HG2 ILE A 33 -6.278 9.853 -6.575 1.00 0.00 H ATOM 524 2HG2 ILE A 33 -6.681 8.123 -6.665 1.00 0.00 H ATOM 525 3HG2 ILE A 33 -5.393 8.791 -7.695 1.00 0.00 H ATOM 526 1HD1 ILE A 33 -6.837 12.671 -8.932 1.00 0.00 H ATOM 527 2HD1 ILE A 33 -8.168 11.948 -7.997 1.00 0.00 H ATOM 528 3HD1 ILE A 33 -6.488 11.778 -7.434 1.00 0.00 H ATOM 529 N LYS A 34 -8.868 6.591 -7.926 1.00 0.00 N ATOM 530 CA LYS A 34 -9.152 5.394 -7.143 1.00 0.00 C ATOM 531 C LYS A 34 -8.996 4.135 -7.987 1.00 0.00 C ATOM 532 O LYS A 34 -8.454 3.130 -7.526 1.00 0.00 O ATOM 533 CB LYS A 34 -10.562 5.461 -6.554 1.00 0.00 C ATOM 534 CG LYS A 34 -10.730 6.485 -5.440 1.00 0.00 C ATOM 535 CD LYS A 34 -12.168 6.532 -4.945 1.00 0.00 C ATOM 536 CE LYS A 34 -12.345 7.578 -3.854 1.00 0.00 C ATOM 537 NZ LYS A 34 -13.755 7.662 -3.386 1.00 0.00 N ATOM 538 H LYS A 34 -9.599 7.273 -8.063 1.00 0.00 H ATOM 539 HA LYS A 34 -8.446 5.347 -6.313 1.00 0.00 H ATOM 540 1HB LYS A 34 -11.274 5.703 -7.342 1.00 0.00 H ATOM 541 2HB LYS A 34 -10.836 4.484 -6.154 1.00 0.00 H ATOM 542 1HG LYS A 34 -10.076 6.228 -4.606 1.00 0.00 H ATOM 543 2HG LYS A 34 -10.449 7.472 -5.808 1.00 0.00 H ATOM 544 1HD LYS A 34 -12.832 6.771 -5.777 1.00 0.00 H ATOM 545 2HD LYS A 34 -12.448 5.556 -4.548 1.00 0.00 H ATOM 546 1HE LYS A 34 -11.708 7.330 -3.006 1.00 0.00 H ATOM 547 2HE LYS A 34 -12.043 8.554 -4.233 1.00 0.00 H ATOM 548 1HZ LYS A 34 -13.830 8.365 -2.665 1.00 0.00 H ATOM 549 2HZ LYS A 34 -14.353 7.910 -4.162 1.00 0.00 H ATOM 550 3HZ LYS A 34 -14.040 6.767 -3.015 1.00 0.00 H ATOM 551 N LEU A 35 -9.475 4.195 -9.225 1.00 0.00 N ATOM 552 CA LEU A 35 -9.405 3.054 -10.130 1.00 0.00 C ATOM 553 C LEU A 35 -7.962 2.712 -10.476 1.00 0.00 C ATOM 554 O LEU A 35 -7.595 1.540 -10.554 1.00 0.00 O ATOM 555 CB LEU A 35 -10.190 3.347 -11.414 1.00 0.00 C ATOM 556 CG LEU A 35 -11.715 3.408 -11.263 1.00 0.00 C ATOM 557 CD1 LEU A 35 -12.327 4.016 -12.518 1.00 0.00 C ATOM 558 CD2 LEU A 35 -12.257 2.009 -11.013 1.00 0.00 C ATOM 559 H LEU A 35 -9.897 5.054 -9.547 1.00 0.00 H ATOM 560 HA LEU A 35 -9.861 2.194 -9.637 1.00 0.00 H ATOM 561 1HB LEU A 35 -9.858 4.305 -11.813 1.00 0.00 H ATOM 562 2HB LEU A 35 -9.960 2.573 -12.147 1.00 0.00 H ATOM 563 HG LEU A 35 -11.972 4.052 -10.422 1.00 0.00 H ATOM 564 1HD1 LEU A 35 -13.411 4.060 -12.411 1.00 0.00 H ATOM 565 2HD1 LEU A 35 -11.937 5.024 -12.662 1.00 0.00 H ATOM 566 3HD1 LEU A 35 -12.073 3.401 -13.381 1.00 0.00 H ATOM 567 1HD2 LEU A 35 -13.341 2.052 -10.905 1.00 0.00 H ATOM 568 2HD2 LEU A 35 -12.002 1.364 -11.855 1.00 0.00 H ATOM 569 3HD2 LEU A 35 -11.817 1.606 -10.101 1.00 0.00 H ATOM 570 N ALA A 36 -7.148 3.742 -10.681 1.00 0.00 N ATOM 571 CA ALA A 36 -5.730 3.553 -10.964 1.00 0.00 C ATOM 572 C ALA A 36 -5.026 2.858 -9.807 1.00 0.00 C ATOM 573 O ALA A 36 -4.188 1.980 -10.015 1.00 0.00 O ATOM 574 CB ALA A 36 -5.066 4.890 -11.261 1.00 0.00 C ATOM 575 H ALA A 36 -7.521 4.680 -10.641 1.00 0.00 H ATOM 576 HA ALA A 36 -5.635 2.932 -11.855 1.00 0.00 H ATOM 577 1HB ALA A 36 -4.008 4.732 -11.469 1.00 0.00 H ATOM 578 2HB ALA A 36 -5.543 5.348 -12.127 1.00 0.00 H ATOM 579 3HB ALA A 36 -5.172 5.547 -10.399 1.00 0.00 H ATOM 580 N LEU A 37 -5.369 3.256 -8.586 1.00 0.00 N ATOM 581 CA LEU A 37 -4.755 2.686 -7.393 1.00 0.00 C ATOM 582 C LEU A 37 -5.114 1.213 -7.240 1.00 0.00 C ATOM 583 O LEU A 37 -4.269 0.391 -6.886 1.00 0.00 O ATOM 584 CB LEU A 37 -5.201 3.460 -6.146 1.00 0.00 C ATOM 585 CG LEU A 37 -4.651 2.944 -4.811 1.00 0.00 C ATOM 586 CD1 LEU A 37 -3.130 2.919 -4.863 1.00 0.00 C ATOM 587 CD2 LEU A 37 -5.145 3.834 -3.680 1.00 0.00 C ATOM 588 H LEU A 37 -6.073 3.972 -8.483 1.00 0.00 H ATOM 589 HA LEU A 37 -3.673 2.774 -7.485 1.00 0.00 H ATOM 590 1HB LEU A 37 -4.891 4.498 -6.253 1.00 0.00 H ATOM 591 2HB LEU A 37 -6.289 3.431 -6.090 1.00 0.00 H ATOM 592 HG LEU A 37 -4.996 1.922 -4.646 1.00 0.00 H ATOM 593 1HD1 LEU A 37 -2.739 2.552 -3.914 1.00 0.00 H ATOM 594 2HD1 LEU A 37 -2.804 2.260 -5.668 1.00 0.00 H ATOM 595 3HD1 LEU A 37 -2.756 3.926 -5.044 1.00 0.00 H ATOM 596 1HD2 LEU A 37 -4.755 3.466 -2.730 1.00 0.00 H ATOM 597 2HD2 LEU A 37 -4.800 4.855 -3.844 1.00 0.00 H ATOM 598 3HD2 LEU A 37 -6.235 3.819 -3.655 1.00 0.00 H ATOM 599 N GLU A 38 -6.374 0.885 -7.508 1.00 0.00 N ATOM 600 CA GLU A 38 -6.834 -0.497 -7.452 1.00 0.00 C ATOM 601 C GLU A 38 -6.066 -1.374 -8.431 1.00 0.00 C ATOM 602 O GLU A 38 -5.697 -2.504 -8.111 1.00 0.00 O ATOM 603 CB GLU A 38 -8.333 -0.573 -7.752 1.00 0.00 C ATOM 604 CG GLU A 38 -9.225 -0.039 -6.640 1.00 0.00 C ATOM 605 CD GLU A 38 -10.687 -0.092 -6.986 1.00 0.00 C ATOM 606 OE1 GLU A 38 -11.002 -0.442 -8.098 1.00 0.00 O ATOM 607 OE2 GLU A 38 -11.489 0.220 -6.138 1.00 0.00 O ATOM 608 H GLU A 38 -7.029 1.612 -7.758 1.00 0.00 H ATOM 609 HA GLU A 38 -6.671 -0.876 -6.441 1.00 0.00 H ATOM 610 1HB GLU A 38 -8.552 -0.006 -8.657 1.00 0.00 H ATOM 611 2HB GLU A 38 -8.615 -1.609 -7.938 1.00 0.00 H ATOM 612 1HG GLU A 38 -9.055 -0.628 -5.739 1.00 0.00 H ATOM 613 2HG GLU A 38 -8.943 0.991 -6.426 1.00 0.00 H ATOM 614 N TRP A 39 -5.829 -0.848 -9.629 1.00 0.00 N ATOM 615 CA TRP A 39 -5.020 -1.541 -10.624 1.00 0.00 C ATOM 616 C TRP A 39 -3.591 -1.732 -10.135 1.00 0.00 C ATOM 617 O TRP A 39 -3.020 -2.816 -10.262 1.00 0.00 O ATOM 618 CB TRP A 39 -5.014 -0.762 -11.941 1.00 0.00 C ATOM 619 CG TRP A 39 -4.169 -1.394 -13.005 1.00 0.00 C ATOM 620 CD1 TRP A 39 -4.503 -2.460 -13.786 1.00 0.00 C ATOM 621 CD2 TRP A 39 -2.837 -1.000 -13.414 1.00 0.00 C ATOM 622 NE1 TRP A 39 -3.476 -2.756 -14.647 1.00 0.00 N ATOM 623 CE2 TRP A 39 -2.449 -1.871 -14.435 1.00 0.00 C ATOM 624 CE3 TRP A 39 -1.956 0.009 -13.002 1.00 0.00 C ATOM 625 CZ2 TRP A 39 -1.214 -1.771 -15.055 1.00 0.00 C ATOM 626 CZ3 TRP A 39 -0.718 0.110 -13.625 1.00 0.00 C ATOM 627 CH2 TRP A 39 -0.357 -0.757 -14.626 1.00 0.00 C ATOM 628 H TRP A 39 -6.219 0.056 -9.855 1.00 0.00 H ATOM 629 HA TRP A 39 -5.461 -2.522 -10.806 1.00 0.00 H ATOM 630 1HB TRP A 39 -6.033 -0.676 -12.318 1.00 0.00 H ATOM 631 2HB TRP A 39 -4.644 0.248 -11.764 1.00 0.00 H ATOM 632 HD1 TRP A 39 -5.448 -2.998 -13.733 1.00 0.00 H ATOM 633 HE1 TRP A 39 -3.475 -3.503 -15.327 1.00 0.00 H ATOM 634 HE3 TRP A 39 -2.239 0.702 -12.210 1.00 0.00 H ATOM 635 HZ2 TRP A 39 -0.908 -2.451 -15.852 1.00 0.00 H ATOM 636 HZ3 TRP A 39 -0.038 0.897 -13.298 1.00 0.00 H ATOM 637 HH2 TRP A 39 0.622 -0.649 -15.093 1.00 0.00 H ATOM 638 N LEU A 40 -3.015 -0.673 -9.576 1.00 0.00 N ATOM 639 CA LEU A 40 -1.647 -0.721 -9.072 1.00 0.00 C ATOM 640 C LEU A 40 -1.517 -1.718 -7.927 1.00 0.00 C ATOM 641 O LEU A 40 -0.498 -2.397 -7.795 1.00 0.00 O ATOM 642 CB LEU A 40 -1.207 0.670 -8.600 1.00 0.00 C ATOM 643 CG LEU A 40 -0.987 1.709 -9.707 1.00 0.00 C ATOM 644 CD1 LEU A 40 -0.954 3.103 -9.096 1.00 0.00 C ATOM 645 CD2 LEU A 40 0.311 1.403 -10.441 1.00 0.00 C ATOM 646 H LEU A 40 -3.538 0.187 -9.498 1.00 0.00 H ATOM 647 HA LEU A 40 -0.990 -1.033 -9.884 1.00 0.00 H ATOM 648 1HB LEU A 40 -1.964 1.063 -7.923 1.00 0.00 H ATOM 649 2HB LEU A 40 -0.272 0.570 -8.049 1.00 0.00 H ATOM 650 HG LEU A 40 -1.819 1.673 -10.411 1.00 0.00 H ATOM 651 1HD1 LEU A 40 -0.797 3.842 -9.883 1.00 0.00 H ATOM 652 2HD1 LEU A 40 -1.901 3.303 -8.595 1.00 0.00 H ATOM 653 3HD1 LEU A 40 -0.140 3.165 -8.374 1.00 0.00 H ATOM 654 1HD2 LEU A 40 0.467 2.141 -11.228 1.00 0.00 H ATOM 655 2HD2 LEU A 40 1.143 1.440 -9.738 1.00 0.00 H ATOM 656 3HD2 LEU A 40 0.253 0.408 -10.882 1.00 0.00 H ATOM 657 N LEU A 41 -2.554 -1.802 -7.102 1.00 0.00 N ATOM 658 CA LEU A 41 -2.560 -2.722 -5.971 1.00 0.00 C ATOM 659 C LEU A 41 -2.640 -4.170 -6.438 1.00 0.00 C ATOM 660 O LEU A 41 -2.000 -5.053 -5.867 1.00 0.00 O ATOM 661 CB LEU A 41 -3.741 -2.412 -5.042 1.00 0.00 C ATOM 662 CG LEU A 41 -3.599 -1.148 -4.184 1.00 0.00 C ATOM 663 CD1 LEU A 41 -4.964 -0.742 -3.647 1.00 0.00 C ATOM 664 CD2 LEU A 41 -2.621 -1.413 -3.049 1.00 0.00 C ATOM 665 H LEU A 41 -3.359 -1.212 -7.260 1.00 0.00 H ATOM 666 HA LEU A 41 -1.635 -2.587 -5.408 1.00 0.00 H ATOM 667 1HB LEU A 41 -4.639 -2.301 -5.648 1.00 0.00 H ATOM 668 2HB LEU A 41 -3.884 -3.256 -4.368 1.00 0.00 H ATOM 669 HG LEU A 41 -3.226 -0.330 -4.801 1.00 0.00 H ATOM 670 1HD1 LEU A 41 -4.863 0.156 -3.037 1.00 0.00 H ATOM 671 2HD1 LEU A 41 -5.638 -0.540 -4.480 1.00 0.00 H ATOM 672 3HD1 LEU A 41 -5.371 -1.549 -3.039 1.00 0.00 H ATOM 673 1HD2 LEU A 41 -2.519 -0.515 -2.439 1.00 0.00 H ATOM 674 2HD2 LEU A 41 -2.994 -2.230 -2.431 1.00 0.00 H ATOM 675 3HD2 LEU A 41 -1.649 -1.684 -3.461 1.00 0.00 H ATOM 676 N LYS A 42 -3.429 -4.406 -7.481 1.00 0.00 N ATOM 677 CA LYS A 42 -3.632 -5.754 -7.998 1.00 0.00 C ATOM 678 C LYS A 42 -2.494 -6.167 -8.923 1.00 0.00 C ATOM 679 O LYS A 42 -2.166 -7.348 -9.033 1.00 0.00 O ATOM 680 CB LYS A 42 -4.969 -5.850 -8.735 1.00 0.00 C ATOM 681 CG LYS A 42 -6.192 -5.759 -7.833 1.00 0.00 C ATOM 682 CD LYS A 42 -7.480 -5.813 -8.641 1.00 0.00 C ATOM 683 CE LYS A 42 -8.703 -5.706 -7.742 1.00 0.00 C ATOM 684 NZ LYS A 42 -9.970 -5.730 -8.522 1.00 0.00 N ATOM 685 H LYS A 42 -3.900 -3.632 -7.927 1.00 0.00 H ATOM 686 HA LYS A 42 -3.666 -6.446 -7.156 1.00 0.00 H ATOM 687 1HB LYS A 42 -5.036 -5.050 -9.472 1.00 0.00 H ATOM 688 2HB LYS A 42 -5.020 -6.797 -9.274 1.00 0.00 H ATOM 689 1HG LYS A 42 -6.184 -6.587 -7.123 1.00 0.00 H ATOM 690 2HG LYS A 42 -6.163 -4.825 -7.273 1.00 0.00 H ATOM 691 1HD LYS A 42 -7.494 -4.992 -9.359 1.00 0.00 H ATOM 692 2HD LYS A 42 -7.526 -6.753 -9.190 1.00 0.00 H ATOM 693 1HE LYS A 42 -8.710 -6.536 -7.037 1.00 0.00 H ATOM 694 2HE LYS A 42 -8.658 -4.777 -7.175 1.00 0.00 H ATOM 695 1HZ LYS A 42 -10.756 -5.657 -7.891 1.00 0.00 H ATOM 696 2HZ LYS A 42 -9.984 -4.952 -9.167 1.00 0.00 H ATOM 697 3HZ LYS A 42 -10.033 -6.596 -9.038 1.00 0.00 H ATOM 698 N LEU A 43 -1.892 -5.184 -9.587 1.00 0.00 N ATOM 699 CA LEU A 43 -0.791 -5.444 -10.506 1.00 0.00 C ATOM 700 C LEU A 43 0.315 -6.243 -9.829 1.00 0.00 C ATOM 701 O LEU A 43 0.521 -6.134 -8.619 1.00 0.00 O ATOM 702 OXT LEU A 43 0.999 -6.988 -10.474 1.00 0.00 O ATOM 703 CB LEU A 43 -0.222 -4.123 -11.040 1.00 0.00 C ATOM 704 CG LEU A 43 0.883 -4.253 -12.096 1.00 0.00 C ATOM 705 CD1 LEU A 43 0.291 -4.806 -13.386 1.00 0.00 C ATOM 706 CD2 LEU A 43 1.525 -2.893 -12.328 1.00 0.00 C ATOM 707 H LEU A 43 -2.207 -4.235 -9.452 1.00 0.00 H ATOM 708 HA LEU A 43 -1.172 -6.021 -11.350 1.00 0.00 H ATOM 709 1HB LEU A 43 -1.035 -3.548 -11.480 1.00 0.00 H ATOM 710 2HB LEU A 43 0.184 -3.556 -10.203 1.00 0.00 H ATOM 711 HG LEU A 43 1.639 -4.957 -11.747 1.00 0.00 H ATOM 712 1HD1 LEU A 43 1.076 -4.898 -14.136 1.00 0.00 H ATOM 713 2HD1 LEU A 43 -0.144 -5.787 -13.195 1.00 0.00 H ATOM 714 3HD1 LEU A 43 -0.482 -4.130 -13.750 1.00 0.00 H ATOM 715 1HD2 LEU A 43 2.311 -2.985 -13.078 1.00 0.00 H ATOM 716 2HD2 LEU A 43 0.770 -2.189 -12.678 1.00 0.00 H ATOM 717 3HD2 LEU A 43 1.955 -2.530 -11.395 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE start15_0001_0001.pdb label fa_atr fa_rep fa_sol fa_intra_atr_xover4 fa_intra_rep_xover4 fa_intra_sol_xover4 lk_ball lk_ball_iso lk_ball_bridge lk_ball_bridge_uncpl fa_elec fa_intra_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun_dev fa_dun_rot fa_dun_semi p_aa_pp hxl_tors ref rama_prepro gen_bonded total weights 1 0.55 1 1 0.55 1 0.92 -0.38 -0.33 -0.33 1 1 1.25 1 1 1 1 1.25 0.48 0.69 0.76 0.78 0.61 1 1 0.5 1 NA pose -210.594 21.8586 149.467 -15.8442 10.3236 10.7556 80.9726 -88.2593 -0.36107 -2.43343 -54.0813 -14.3932 0 -29.6456 -2.54662 0 -1.79727 0 2.30438 3.56737 22.6908 32.6499 -15.0935 6.937 -18.7218 -5.37145 0 -117.616 ASP:NtermProteinFull_1 -3.22012 0.16664 3.74397 -0.12644 0.00857 0.39318 1.52668 -1.65867 -0 -0 -1.29059 -1.50825 0 0 0 0 0 0 0.21534 0.21385 0 2.2616 0 0 -2.3716 0 0 -1.64583 GLU_2 -3.11907 0.15558 3.80937 -0.46208 0.25628 1.45175 1.46067 -1.66859 -0.04548 -0.30382 -1.687 -2.95465 0 0 0 0 0 0 -0.04669 0.01915 0 4.02086 -0.29463 0 -2.7348 -0.22771 0 -2.37086 GLU_3 -3.10577 0.13093 3.28935 -0.21735 0.03171 0.30741 1.19644 -1.55028 -0.02786 -0.14501 -0.53118 -0.59739 0 0 0 0 0 0 0.01698 0.00105 0 3.01286 -0.33573 0 -2.7348 -0.47396 0 -1.7326 LEU_4 -7.57064 1.15901 3.62285 -0.5256 0.74573 0.13431 2.24231 -2.50055 -0 -0 -0.88201 0.24847 0 0 0 0 0 0 0.949 0.31423 0.26396 0 -0.2711 0 0.18072 -0.35327 0 -2.24258 GLU_5 -4.48459 0.21449 5.78012 -0.21381 0.02457 0.29244 2.30127 -2.56832 -0.01763 -0.15881 -1.74115 -0.58527 0 0 0 0 0 0 0.33016 0.10289 0 3.01128 -0.23277 0 -2.7348 -0.28918 0 -0.96911 LYS_6 -4.32151 0.16702 5.07523 -0.30694 0.02915 0.14022 2.22525 -2.32042 -0 -0 -1.9053 -0.03274 0 0 0 0 0 0 0.09112 0.00478 1.80788 0 -0.06293 0 -1.5107 -0.35144 0 -1.27134 LEU_7 -5.89418 0.41112 3.57074 -0.66751 0.96854 0.26379 2.26043 -2.33624 -0 -0 -1.38714 -0.07344 0 0 0 0 0 0 0.00102 0.37217 1.09037 0 -0.18053 0 0.18072 0.27026 0 -1.14987 ILE_8 -7.59798 0.88522 4.0131 -0.71512 1.49111 0.16291 2.76298 -2.69954 -0 -0 -2.05274 0.36953 0 0 0 0 0 0 -0.0526 0.0207 0.67457 0 -0.38344 0 0.73287 0.47771 0 -1.91071 LYS_9 -4.92833 0.24964 5.85815 -0.42142 0.06596 0.22773 2.48808 -2.60848 -0 -0 -1.87274 -0.10102 0 0 0 0 0 0 0.00924 0.00093 1.97414 0 0.04632 0 -1.5107 0.11982 0 -0.40267 LYS_10 -5.11139 0.41031 5.47607 -0.42568 0.06128 0.23915 2.56677 -2.55809 -0.01431 -0.143 -2.30365 -0.13251 0 0 0 0 0 0 0.02328 0.01267 2.17209 0 0.01429 0 -1.5107 0.01243 0 -1.211 LEU_11 -7.07979 0.62945 3.65865 -0.71823 0.47013 0.29318 2.65975 -2.60863 -0.02321 -0.08941 -1.88299 0.14133 0 0 0 0 0 0 -0.00717 0.07908 0.97258 0 -0.24029 0 0.18072 0.04616 0 -3.51871 ARG_12 -5.61889 0.27258 4.87039 -0.63245 0.16988 0.35452 1.96428 -2.4766 -0 -0 -0.87807 0.27286 0 0 0 0 0 0 0.01227 0.16234 2.50463 0 -0.10165 0 -1.2888 0.08572 0 -0.32698 GLU_13 -3.6407 0.19943 4.55502 -0.21381 0.02692 0.29434 1.50964 -1.96447 -0.01431 -0.143 -0.55692 -0.58201 0 0 0 0 0 0 0.03222 0.02774 0 3.04837 -0.25653 0 -2.7348 -0.2213 0 -0.63415 LEU_14 -4.81623 0.50186 3.58832 -0.5005 0.43588 0.12009 1.57428 -1.87787 -0 -0 -0.53974 0.23776 0 0 0 0 0 0 -0.05238 0.15856 0.32295 0 -0.2921 0 0.18072 -0.2326 0 -1.19099 ASN_15 -2.99726 0.20556 3.85905 -0.37546 0.08916 0.7615 1.75255 -1.72585 -0 -0 -1.54373 -0.87173 0 0 0 0 -0.89863 0 -0.09724 0.01353 0 1.67106 -1.02985 0 -0.93687 -0.27733 0 -2.40154 THR_16 -3.12444 0.25957 1.89944 -0.20545 0.14695 0.07202 0.65946 -1.3078 -0.02843 -0.17364 -0.35108 -0.86175 0 0 0 0 0 0 0.12596 0.07951 1.04409 0 -0.76754 2.34555 -1.0874 -0.02777 0 -1.30274 THR_17 -2.91886 0.39123 1.15119 -0.17838 0.11159 0.066 0.64559 -0.99159 -0.00608 -0.09896 -0.93579 -0.10027 0 0 0 0 0 0 -0.00065 0.04491 0.0959 0 0.05732 2.30335 -1.0874 0.22683 0 -1.22406 VAL_18 -5.36058 0.63146 1.80668 -0.31219 0.23962 0.06571 2.06269 -1.77884 -0.0019 -0.00518 -1.88145 -0.42926 0 0 0 0 0 0 0.36514 0.03938 0.12227 0 -0.30929 0 1.9342 -0.10919 0 -2.92074 VAL_19 -4.07692 0.37624 1.06865 -0.27982 0.19699 0.06387 0.47877 -1.26095 -0.00276 -0.00949 0.00133 -0.39595 0 0 0 0 0 0 -0.0436 0.00823 0.19393 0 -0.64866 0 1.9342 -0.21668 0 -2.61264 ILE_20 -6.50545 0.8994 1.27799 -0.49706 0.67271 0.12043 1.97401 -1.87392 -0 -0 -0.95316 -0.1488 0 0 0 0 0 0 0.08452 0.02345 0.2654 0 -0.55025 0 0.73287 -0.07505 0 -4.55292 GLY_21 -2.50627 0.46411 1.25647 -5e-05 0 0 0.37943 -0.98478 -0.00276 -0.00949 0.31026 -0.42344 0 0 0 0 0 0 -0.11965 0 0 0 -1.20859 0 0.83697 -0.33784 0 -2.34563 GLY_22 -1.82202 0.26841 1.43115 -6e-05 0 0 0.63692 -0.94779 -0 -0 0.08142 -0.39536 0 0 0 0 0 0 -0.12738 0 0 0 -1.51856 0 0.83697 -0.78378 0 -2.34009 VAL_23 -6.31126 0.51975 3.34704 -0.29077 0.20973 0.06784 2.52112 -2.53208 -0 -0 -1.84913 -0.18687 0 0 0 0 0 0 -0.01166 0.00272 0.09098 0 -0.31026 0 1.9342 -0.50684 0 -3.30551 LYS_24 -3.93814 0.29519 1.62385 -0.38226 0.05337 0.18027 0.67498 -1.22406 -0.01203 -0.04243 -0.50412 0.11409 0 0 0 0 0 0 -0.04723 0.00631 1.80231 0 0.0541 0 -1.5107 -0.18457 0 -3.04106 ILE_25 -8.55597 1.67629 1.74978 -0.48541 0.58396 0.10607 2.59189 -2.32732 -0.00276 -0.01992 -1.86045 0.02706 0 0 0 0 0 0 0.23896 0.03956 0.35943 0 -0.77472 0 0.73287 -0.37416 0 -6.29484 THR_26 -3.71285 0.43632 2.40836 -0.1041 0.07265 0.06458 1.72318 -1.6323 -0.02173 -0.10951 -1.9033 -0.47347 0 0 0 0 0 0 -0.02659 0.00026 0.22892 0 -0.79304 2.28811 -1.0874 -0.06775 0 -2.70963 GLU_27 -2.17371 0.24637 2.46096 -0.30825 0.05335 0.36226 1.04094 -1.09843 -0 -0 -0.2277 -0.17141 0 0 0 0 -0.89863 0 0.17228 0.00335 0 3.6774 -0.01104 0 -2.7348 0.18439 0 0.57734 GLY_28 -1.35937 0.114 1.79683 -6e-05 0 0 0.82213 -0.84948 -0.01258 -0.1162 -0.58307 -0.41632 0 0 0 0 0 0 -0.0972 0 0 0 -1.43607 0 0.83697 -0.4623 0 -1.76273 ALA_29 -4.47719 0.721 3.14473 -0.03028 0.01002 0 2.93726 -2.28986 -0.0097 -0.06708 -1.72754 -0.49387 0 0 0 0 0 0 0.01391 0 0 0 -0.08661 0 1.8394 -0.05719 0 -0.57298 GLU_30 -3.79554 0.20157 4.59185 -0.21605 0.02689 0.29628 1.93394 -2.05356 -0 -0 -1.97713 -0.59076 0 0 0 0 0 0 -0.05343 0.03698 0 3.0056 -0.30523 0 -2.7348 0.1596 0 -1.4738 GLU_31 -3.8664 0.33913 4.62377 -0.46117 0.21172 1.44123 1.54475 -2.16848 -0.0416 -0.27327 -1.42607 -2.72494 0 0 0 0 0 0 -0.02281 0.00376 0 3.94548 -0.21625 0 -2.7348 -0.38656 0 -2.2125 ALA_32 -5.92441 0.88544 2.83199 -0.02246 0 0 2.37224 -2.47767 -0.02902 -0.15707 -1.11308 -0.36613 0 0 0 0 0 0 0.01804 0 0 0 -0.26998 0 1.8394 -0.34613 0 -2.75883 ILE_33 -8.05465 1.0241 4.25756 -0.51297 0.62296 0.10035 2.53775 -2.92033 -0 -0 -1.57725 0.09785 0 0 0 0 0 0 -0.03421 0.01635 0.56809 0 -0.46519 0 0.73287 -0.02007 0 -3.62677 LYS_34 -4.81702 0.2368 5.40768 -0.3066 0.02906 0.1376 2.54427 -2.48842 -0 -0 -1.72222 0.00048 0 0 0 0 0 0 -0.03546 0.01138 1.73623 0 0.00575 0 -1.5107 0.08085 0 -0.69034 LEU_35 -5.7686 0.4476 4.93577 -0.4979 0.41778 0.11895 2.31684 -2.65177 -0.01903 -0.16396 -2.12616 0.23472 0 0 0 0 0 0 0.14261 0.20775 0.35849 0 -0.27853 0 0.18072 -0.10581 0 -2.25052 ALA_36 -6.32725 0.8493 3.57363 -0.02167 0 0 2.95945 -2.75546 -0 -0 -2.19954 -0.35561 0 0 0 0 0 0 -0.0381 0 0 0 -0.2192 0 1.8394 -0.04539 0 -2.74044 LEU_37 -7.37036 0.64234 4.59942 -0.7237 0.6026 0.30587 2.88787 -2.80222 -0 -0 -2.06445 0.14467 0 0 0 0 0 0 0.12991 0.14392 0.97336 0 -0.26275 0 0.18072 -0.01139 0 -2.62418 GLU_38 -5.43004 0.33036 6.18743 -0.21456 0.02606 0.2944 2.61476 -2.85232 -0.01903 -0.16396 -1.87719 -0.59035 0 0 0 0 0 0 0.29412 0.03141 0 3.03322 -0.19364 0 -2.7348 -0.10429 0 -1.36842 TRP_39 -8.58424 1.30067 4.60477 -1.24144 0.04874 0.51144 2.88433 -3.09394 -0 -0 -2.43867 -0.34024 0 0 0 0 0 0 -0.00656 0.01046 0 1.96212 -0.21732 0 1.6906 -0.02454 0 -2.9338 LEU_40 -8.4832 1.34182 2.4496 -0.49313 0.30756 0.12041 1.94353 -2.47373 -0.00444 -0.02012 -0.44774 0.2107 0 0 0 0 0 0 -0.01197 0.52028 0.27745 0 -0.30093 0 0.18072 0.06376 0 -4.81944 LEU_41 -5.39566 0.57388 3.70969 -0.49008 0.30649 0.12117 1.71333 -2.165 -0 -0 -0.7954 0.1914 0 0 0 0 0 0 -0.04717 0.7766 0.37365 0 -0.27886 0 0.18072 -0.07767 0 -1.30292 LYS_42 -2.84659 0.15335 3.67413 -0.30746 0.03007 0.14753 1.50289 -1.58533 -0 -0 -0.60277 -0.10732 0 0 0 0 0 0 0.018 0.02484 1.98361 0 -0.16725 0 -1.5107 -0.19455 0 0.21246 LEU:CtermProteinFull_43 -3.58038 0.47408 2.82637 -0.73841 0.4678 0.55479 1.57694 -1.54929 -0.00444 -0.02012 -0.27497 0.32697 0 0 0 0 0 0 0 0.03229 0.43352 0 0 0 0.18072 -0.15267 0 0.55319 #END_POSE_ENERGIES_TABLE start15_0001_0001.pdb score_per_res -2.13645 total_score -91.8673
HEEH_KT_rd6_1930.pdb
ATOM 1 N THR A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA THR A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C THR A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O THR A 1 1.759 2.193 -0.925 1.00 0.00 O ATOM 5 CB THR A 1 2.012 -0.770 -1.213 1.00 0.00 C ATOM 6 OG1 THR A 1 1.564 -2.131 -1.164 1.00 0.00 O ATOM 7 CG2 THR A 1 3.533 -0.741 -1.214 1.00 0.00 C ATOM 8 1H THR A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 9 2H THR A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 10 3H THR A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 11 HA THR A 1 1.804 -0.509 0.900 1.00 0.00 H ATOM 12 HB THR A 1 1.645 -0.313 -2.132 1.00 0.00 H ATOM 13 HG1 THR A 1 1.688 -2.539 -2.025 1.00 0.00 H ATOM 14 1HG2 THR A 1 3.907 -1.289 -2.078 1.00 0.00 H ATOM 15 2HG2 THR A 1 3.877 0.292 -1.262 1.00 0.00 H ATOM 16 3HG2 THR A 1 3.906 -1.204 -0.301 1.00 0.00 H ATOM 17 N LEU A 2 2.759 1.759 1.043 1.00 0.00 N ATOM 18 CA LEU A 2 3.241 3.121 1.230 1.00 0.00 C ATOM 19 C LEU A 2 4.171 3.537 0.097 1.00 0.00 C ATOM 20 O LEU A 2 4.100 4.664 -0.394 1.00 0.00 O ATOM 21 CB LEU A 2 3.973 3.245 2.572 1.00 0.00 C ATOM 22 CG LEU A 2 4.438 4.657 2.949 1.00 0.00 C ATOM 23 CD1 LEU A 2 4.248 4.873 4.445 1.00 0.00 C ATOM 24 CD2 LEU A 2 5.896 4.835 2.552 1.00 0.00 C ATOM 25 H LEU A 2 3.002 1.053 1.724 1.00 0.00 H ATOM 26 HA LEU A 2 2.382 3.793 1.243 1.00 0.00 H ATOM 27 1HB LEU A 2 3.312 2.892 3.362 1.00 0.00 H ATOM 28 2HB LEU A 2 4.853 2.602 2.549 1.00 0.00 H ATOM 29 HG LEU A 2 3.827 5.393 2.426 1.00 0.00 H ATOM 30 1HD1 LEU A 2 4.578 5.877 4.712 1.00 0.00 H ATOM 31 2HD1 LEU A 2 3.194 4.759 4.698 1.00 0.00 H ATOM 32 3HD1 LEU A 2 4.835 4.139 4.995 1.00 0.00 H ATOM 33 1HD2 LEU A 2 6.226 5.839 2.819 1.00 0.00 H ATOM 34 2HD2 LEU A 2 6.508 4.101 3.076 1.00 0.00 H ATOM 35 3HD2 LEU A 2 6.000 4.693 1.476 1.00 0.00 H ATOM 36 N GLU A 3 5.041 2.622 -0.314 1.00 0.00 N ATOM 37 CA GLU A 3 6.052 2.923 -1.320 1.00 0.00 C ATOM 38 C GLU A 3 5.411 3.268 -2.659 1.00 0.00 C ATOM 39 O GLU A 3 5.851 4.186 -3.350 1.00 0.00 O ATOM 40 CB GLU A 3 7.006 1.739 -1.490 1.00 0.00 C ATOM 41 CG GLU A 3 7.889 1.464 -0.281 1.00 0.00 C ATOM 42 CD GLU A 3 7.166 0.737 0.818 1.00 0.00 C ATOM 43 OE1 GLU A 3 6.042 0.348 0.609 1.00 0.00 O ATOM 44 OE2 GLU A 3 7.738 0.569 1.869 1.00 0.00 O ATOM 45 H GLU A 3 5.001 1.693 0.082 1.00 0.00 H ATOM 46 HA GLU A 3 6.634 3.780 -0.981 1.00 0.00 H ATOM 47 1HB GLU A 3 6.431 0.836 -1.696 1.00 0.00 H ATOM 48 2HB GLU A 3 7.656 1.915 -2.346 1.00 0.00 H ATOM 49 1HG GLU A 3 8.743 0.866 -0.596 1.00 0.00 H ATOM 50 2HG GLU A 3 8.265 2.411 0.103 1.00 0.00 H ATOM 51 N GLU A 4 4.369 2.525 -3.019 1.00 0.00 N ATOM 52 CA GLU A 4 3.645 2.772 -4.260 1.00 0.00 C ATOM 53 C GLU A 4 2.943 4.124 -4.229 1.00 0.00 C ATOM 54 O GLU A 4 2.896 4.833 -5.234 1.00 0.00 O ATOM 55 CB GLU A 4 2.622 1.662 -4.511 1.00 0.00 C ATOM 56 CG GLU A 4 3.232 0.319 -4.887 1.00 0.00 C ATOM 57 CD GLU A 4 2.202 -0.761 -5.068 1.00 0.00 C ATOM 58 OE1 GLU A 4 1.099 -0.587 -4.609 1.00 0.00 O ATOM 59 OE2 GLU A 4 2.519 -1.763 -5.666 1.00 0.00 O ATOM 60 H GLU A 4 4.072 1.770 -2.417 1.00 0.00 H ATOM 61 HA GLU A 4 4.359 2.767 -5.084 1.00 0.00 H ATOM 62 1HB GLU A 4 2.017 1.515 -3.616 1.00 0.00 H ATOM 63 2HB GLU A 4 1.950 1.961 -5.316 1.00 0.00 H ATOM 64 1HG GLU A 4 3.790 0.432 -5.816 1.00 0.00 H ATOM 65 2HG GLU A 4 3.933 0.019 -4.109 1.00 0.00 H ATOM 66 N ILE A 5 2.400 4.476 -3.069 1.00 0.00 N ATOM 67 CA ILE A 5 1.719 5.754 -2.898 1.00 0.00 C ATOM 68 C ILE A 5 2.673 6.920 -3.117 1.00 0.00 C ATOM 69 O ILE A 5 2.326 7.905 -3.768 1.00 0.00 O ATOM 70 CB ILE A 5 1.092 5.860 -1.495 1.00 0.00 C ATOM 71 CG1 ILE A 5 -0.082 4.887 -1.360 1.00 0.00 C ATOM 72 CG2 ILE A 5 0.641 7.286 -1.221 1.00 0.00 C ATOM 73 CD1 ILE A 5 -0.553 4.692 0.063 1.00 0.00 C ATOM 74 H ILE A 5 2.459 3.842 -2.284 1.00 0.00 H ATOM 75 HA ILE A 5 0.914 5.818 -3.632 1.00 0.00 H ATOM 76 HB ILE A 5 1.828 5.571 -0.745 1.00 0.00 H ATOM 77 1HG1 ILE A 5 -0.923 5.248 -1.951 1.00 0.00 H ATOM 78 2HG1 ILE A 5 0.203 3.914 -1.760 1.00 0.00 H ATOM 79 1HG2 ILE A 5 0.200 7.343 -0.226 1.00 0.00 H ATOM 80 2HG2 ILE A 5 1.498 7.956 -1.276 1.00 0.00 H ATOM 81 3HG2 ILE A 5 -0.100 7.582 -1.963 1.00 0.00 H ATOM 82 1HD1 ILE A 5 -1.387 3.990 0.077 1.00 0.00 H ATOM 83 2HD1 ILE A 5 0.265 4.297 0.666 1.00 0.00 H ATOM 84 3HD1 ILE A 5 -0.877 5.647 0.473 1.00 0.00 H ATOM 85 N LEU A 6 3.877 6.803 -2.569 1.00 0.00 N ATOM 86 CA LEU A 6 4.900 7.830 -2.738 1.00 0.00 C ATOM 87 C LEU A 6 5.233 8.038 -4.210 1.00 0.00 C ATOM 88 O LEU A 6 5.332 9.171 -4.680 1.00 0.00 O ATOM 89 CB LEU A 6 6.170 7.445 -1.970 1.00 0.00 C ATOM 90 CG LEU A 6 6.072 7.525 -0.441 1.00 0.00 C ATOM 91 CD1 LEU A 6 7.311 6.895 0.181 1.00 0.00 C ATOM 92 CD2 LEU A 6 5.926 8.978 -0.016 1.00 0.00 C ATOM 93 H LEU A 6 4.091 5.983 -2.021 1.00 0.00 H ATOM 94 HA LEU A 6 4.520 8.767 -2.330 1.00 0.00 H ATOM 95 1HB LEU A 6 6.438 6.423 -2.232 1.00 0.00 H ATOM 96 2HB LEU A 6 6.980 8.103 -2.285 1.00 0.00 H ATOM 97 HG LEU A 6 5.205 6.958 -0.102 1.00 0.00 H ATOM 98 1HD1 LEU A 6 7.242 6.951 1.267 1.00 0.00 H ATOM 99 2HD1 LEU A 6 7.381 5.851 -0.124 1.00 0.00 H ATOM 100 3HD1 LEU A 6 8.199 7.431 -0.154 1.00 0.00 H ATOM 101 1HD2 LEU A 6 5.856 9.035 1.070 1.00 0.00 H ATOM 102 2HD2 LEU A 6 6.794 9.545 -0.354 1.00 0.00 H ATOM 103 3HD2 LEU A 6 5.023 9.398 -0.461 1.00 0.00 H ATOM 104 N GLU A 7 5.405 6.936 -4.934 1.00 0.00 N ATOM 105 CA GLU A 7 5.762 6.996 -6.346 1.00 0.00 C ATOM 106 C GLU A 7 4.661 7.657 -7.165 1.00 0.00 C ATOM 107 O GLU A 7 4.934 8.461 -8.056 1.00 0.00 O ATOM 108 CB GLU A 7 6.040 5.591 -6.885 1.00 0.00 C ATOM 109 CG GLU A 7 7.334 4.968 -6.381 1.00 0.00 C ATOM 110 CD GLU A 7 7.570 3.587 -6.926 1.00 0.00 C ATOM 111 OE1 GLU A 7 6.701 3.075 -7.590 1.00 0.00 O ATOM 112 OE2 GLU A 7 8.621 3.044 -6.679 1.00 0.00 O ATOM 113 H GLU A 7 5.285 6.035 -4.494 1.00 0.00 H ATOM 114 HA GLU A 7 6.675 7.585 -6.447 1.00 0.00 H ATOM 115 1HB GLU A 7 5.219 4.927 -6.610 1.00 0.00 H ATOM 116 2HB GLU A 7 6.085 5.621 -7.974 1.00 0.00 H ATOM 117 1HG GLU A 7 8.168 5.607 -6.667 1.00 0.00 H ATOM 118 2HG GLU A 7 7.303 4.923 -5.293 1.00 0.00 H ATOM 119 N ILE A 8 3.415 7.312 -6.859 1.00 0.00 N ATOM 120 CA ILE A 8 2.271 7.851 -7.585 1.00 0.00 C ATOM 121 C ILE A 8 2.126 9.349 -7.351 1.00 0.00 C ATOM 122 O ILE A 8 1.953 10.120 -8.295 1.00 0.00 O ATOM 123 CB ILE A 8 0.971 7.138 -7.169 1.00 0.00 C ATOM 124 CG1 ILE A 8 0.998 5.674 -7.617 1.00 0.00 C ATOM 125 CG2 ILE A 8 -0.238 7.853 -7.750 1.00 0.00 C ATOM 126 CD1 ILE A 8 -0.049 4.812 -6.951 1.00 0.00 C ATOM 127 H ILE A 8 3.257 6.659 -6.104 1.00 0.00 H ATOM 128 HA ILE A 8 2.423 7.675 -8.650 1.00 0.00 H ATOM 129 HB ILE A 8 0.891 7.133 -6.082 1.00 0.00 H ATOM 130 1HG1 ILE A 8 0.849 5.621 -8.695 1.00 0.00 H ATOM 131 2HG1 ILE A 8 1.978 5.246 -7.402 1.00 0.00 H ATOM 132 1HG2 ILE A 8 -1.148 7.336 -7.447 1.00 0.00 H ATOM 133 2HG2 ILE A 8 -0.265 8.879 -7.384 1.00 0.00 H ATOM 134 3HG2 ILE A 8 -0.169 7.859 -8.838 1.00 0.00 H ATOM 135 1HD1 ILE A 8 0.033 3.789 -7.319 1.00 0.00 H ATOM 136 2HD1 ILE A 8 0.103 4.822 -5.871 1.00 0.00 H ATOM 137 3HD1 ILE A 8 -1.040 5.201 -7.181 1.00 0.00 H ATOM 138 N ALA A 9 2.198 9.755 -6.088 1.00 0.00 N ATOM 139 CA ALA A 9 2.036 11.158 -5.724 1.00 0.00 C ATOM 140 C ALA A 9 3.167 12.008 -6.291 1.00 0.00 C ATOM 141 O ALA A 9 2.945 13.130 -6.745 1.00 0.00 O ATOM 142 CB ALA A 9 1.968 11.308 -4.212 1.00 0.00 C ATOM 143 H ALA A 9 2.370 9.075 -5.361 1.00 0.00 H ATOM 144 HA ALA A 9 1.091 11.515 -6.134 1.00 0.00 H ATOM 145 1HB ALA A 9 1.847 12.360 -3.955 1.00 0.00 H ATOM 146 2HB ALA A 9 1.120 10.741 -3.827 1.00 0.00 H ATOM 147 3HB ALA A 9 2.888 10.930 -3.767 1.00 0.00 H ATOM 148 N ARG A 10 4.380 11.466 -6.261 1.00 0.00 N ATOM 149 CA ARG A 10 5.553 12.188 -6.738 1.00 0.00 C ATOM 150 C ARG A 10 5.498 12.395 -8.246 1.00 0.00 C ATOM 151 O ARG A 10 5.846 13.464 -8.749 1.00 0.00 O ATOM 152 CB ARG A 10 6.826 11.438 -6.378 1.00 0.00 C ATOM 153 CG ARG A 10 7.210 11.497 -4.907 1.00 0.00 C ATOM 154 CD ARG A 10 8.309 10.550 -4.588 1.00 0.00 C ATOM 155 NE ARG A 10 8.633 10.554 -3.170 1.00 0.00 N ATOM 156 CZ ARG A 10 9.435 9.656 -2.567 1.00 0.00 C ATOM 157 NH1 ARG A 10 9.986 8.690 -3.268 1.00 0.00 N ATOM 158 NH2 ARG A 10 9.668 9.746 -1.269 1.00 0.00 N ATOM 159 H ARG A 10 4.492 10.530 -5.899 1.00 0.00 H ATOM 160 HA ARG A 10 5.580 13.165 -6.251 1.00 0.00 H ATOM 161 1HB ARG A 10 6.719 10.388 -6.648 1.00 0.00 H ATOM 162 2HB ARG A 10 7.660 11.840 -6.953 1.00 0.00 H ATOM 163 1HG ARG A 10 7.542 12.505 -4.659 1.00 0.00 H ATOM 164 2HG ARG A 10 6.345 11.239 -4.295 1.00 0.00 H ATOM 165 1HD ARG A 10 8.011 9.540 -4.867 1.00 0.00 H ATOM 166 2HD ARG A 10 9.203 10.831 -5.143 1.00 0.00 H ATOM 167 HE ARG A 10 8.228 11.283 -2.597 1.00 0.00 H ATOM 168 1HH1 ARG A 10 9.807 8.622 -4.260 1.00 0.00 H ATOM 169 2HH1 ARG A 10 10.587 8.017 -2.816 1.00 0.00 H ATOM 170 1HH2 ARG A 10 9.245 10.488 -0.729 1.00 0.00 H ATOM 171 2HH2 ARG A 10 10.269 9.073 -0.816 1.00 0.00 H ATOM 172 N LYS A 11 5.058 11.367 -8.963 1.00 0.00 N ATOM 173 CA LYS A 11 4.874 11.463 -10.406 1.00 0.00 C ATOM 174 C LYS A 11 3.772 12.455 -10.756 1.00 0.00 C ATOM 175 O LYS A 11 3.897 13.229 -11.705 1.00 0.00 O ATOM 176 CB LYS A 11 4.551 10.089 -10.997 1.00 0.00 C ATOM 177 CG LYS A 11 5.736 9.134 -11.050 1.00 0.00 C ATOM 178 CD LYS A 11 5.328 7.778 -11.608 1.00 0.00 C ATOM 179 CE LYS A 11 6.509 6.819 -11.652 1.00 0.00 C ATOM 180 NZ LYS A 11 6.123 5.486 -12.190 1.00 0.00 N ATOM 181 H LYS A 11 4.847 10.496 -8.497 1.00 0.00 H ATOM 182 HA LYS A 11 5.807 11.807 -10.853 1.00 0.00 H ATOM 183 1HB LYS A 11 3.766 9.615 -10.408 1.00 0.00 H ATOM 184 2HB LYS A 11 4.173 10.209 -12.012 1.00 0.00 H ATOM 185 1HG LYS A 11 6.517 9.557 -11.683 1.00 0.00 H ATOM 186 2HG LYS A 11 6.140 8.998 -10.047 1.00 0.00 H ATOM 187 1HD LYS A 11 4.544 7.348 -10.982 1.00 0.00 H ATOM 188 2HD LYS A 11 4.936 7.903 -12.617 1.00 0.00 H ATOM 189 1HE LYS A 11 7.294 7.237 -12.279 1.00 0.00 H ATOM 190 2HE LYS A 11 6.909 6.688 -10.646 1.00 0.00 H ATOM 191 1HZ LYS A 11 6.932 4.881 -12.202 1.00 0.00 H ATOM 192 2HZ LYS A 11 5.407 5.080 -11.603 1.00 0.00 H ATOM 193 3HZ LYS A 11 5.768 5.592 -13.129 1.00 0.00 H ATOM 194 N ALA A 12 2.691 12.427 -9.984 1.00 0.00 N ATOM 195 CA ALA A 12 1.576 13.343 -10.192 1.00 0.00 C ATOM 196 C ALA A 12 2.015 14.792 -10.025 1.00 0.00 C ATOM 197 O ALA A 12 1.535 15.680 -10.730 1.00 0.00 O ATOM 198 CB ALA A 12 0.439 13.020 -9.233 1.00 0.00 C ATOM 199 H ALA A 12 2.640 11.754 -9.232 1.00 0.00 H ATOM 200 HA ALA A 12 1.201 13.206 -11.208 1.00 0.00 H ATOM 201 1HB ALA A 12 -0.386 13.712 -9.401 1.00 0.00 H ATOM 202 2HB ALA A 12 0.098 11.999 -9.404 1.00 0.00 H ATOM 203 3HB ALA A 12 0.791 13.117 -8.207 1.00 0.00 H ATOM 204 N LEU A 13 2.928 15.024 -9.088 1.00 0.00 N ATOM 205 CA LEU A 13 3.465 16.359 -8.857 1.00 0.00 C ATOM 206 C LEU A 13 4.196 16.880 -10.086 1.00 0.00 C ATOM 207 O LEU A 13 3.957 18.001 -10.535 1.00 0.00 O ATOM 208 CB LEU A 13 4.418 16.345 -7.655 1.00 0.00 C ATOM 209 CG LEU A 13 5.185 17.649 -7.399 1.00 0.00 C ATOM 210 CD1 LEU A 13 4.196 18.778 -7.142 1.00 0.00 C ATOM 211 CD2 LEU A 13 6.122 17.464 -6.215 1.00 0.00 C ATOM 212 H LEU A 13 3.257 14.256 -8.522 1.00 0.00 H ATOM 213 HA LEU A 13 2.637 17.032 -8.631 1.00 0.00 H ATOM 214 1HB LEU A 13 3.844 16.117 -6.759 1.00 0.00 H ATOM 215 2HB LEU A 13 5.152 15.553 -7.803 1.00 0.00 H ATOM 216 HG LEU A 13 5.766 17.910 -8.284 1.00 0.00 H ATOM 217 1HD1 LEU A 13 4.740 19.705 -6.961 1.00 0.00 H ATOM 218 2HD1 LEU A 13 3.551 18.902 -8.013 1.00 0.00 H ATOM 219 3HD1 LEU A 13 3.588 18.538 -6.271 1.00 0.00 H ATOM 220 1HD2 LEU A 13 6.667 18.390 -6.033 1.00 0.00 H ATOM 221 2HD2 LEU A 13 5.542 17.204 -5.329 1.00 0.00 H ATOM 222 3HD2 LEU A 13 6.829 16.663 -6.433 1.00 0.00 H ATOM 223 N GLU A 14 5.089 16.059 -10.630 1.00 0.00 N ATOM 224 CA GLU A 14 5.873 16.444 -11.797 1.00 0.00 C ATOM 225 C GLU A 14 4.991 16.582 -13.032 1.00 0.00 C ATOM 226 O GLU A 14 5.194 17.474 -13.856 1.00 0.00 O ATOM 227 CB GLU A 14 6.978 15.418 -12.060 1.00 0.00 C ATOM 228 CG GLU A 14 8.094 15.417 -11.025 1.00 0.00 C ATOM 229 CD GLU A 14 9.198 14.452 -11.356 1.00 0.00 C ATOM 230 OE1 GLU A 14 9.038 13.690 -12.280 1.00 0.00 O ATOM 231 OE2 GLU A 14 10.202 14.476 -10.685 1.00 0.00 O ATOM 232 H GLU A 14 5.229 15.145 -10.224 1.00 0.00 H ATOM 233 HA GLU A 14 6.345 17.406 -11.596 1.00 0.00 H ATOM 234 1HB GLU A 14 6.546 14.418 -12.088 1.00 0.00 H ATOM 235 2HB GLU A 14 7.426 15.608 -13.035 1.00 0.00 H ATOM 236 1HG GLU A 14 8.513 16.420 -10.956 1.00 0.00 H ATOM 237 2HG GLU A 14 7.673 15.161 -10.054 1.00 0.00 H ATOM 238 N ILE A 15 4.009 15.694 -13.154 1.00 0.00 N ATOM 239 CA ILE A 15 3.120 15.690 -14.310 1.00 0.00 C ATOM 240 C ILE A 15 2.202 16.905 -14.303 1.00 0.00 C ATOM 241 O ILE A 15 2.022 17.564 -15.327 1.00 0.00 O ATOM 242 CB ILE A 15 2.272 14.405 -14.347 1.00 0.00 C ATOM 243 CG1 ILE A 15 3.159 13.188 -14.621 1.00 0.00 C ATOM 244 CG2 ILE A 15 1.180 14.519 -15.399 1.00 0.00 C ATOM 245 CD1 ILE A 15 2.497 11.866 -14.306 1.00 0.00 C ATOM 246 H ILE A 15 3.876 15.005 -12.428 1.00 0.00 H ATOM 247 HA ILE A 15 3.728 15.716 -15.215 1.00 0.00 H ATOM 248 HB ILE A 15 1.811 14.246 -13.373 1.00 0.00 H ATOM 249 1HG1 ILE A 15 3.453 13.181 -15.670 1.00 0.00 H ATOM 250 2HG1 ILE A 15 4.071 13.261 -14.027 1.00 0.00 H ATOM 251 1HG2 ILE A 15 0.590 13.603 -15.412 1.00 0.00 H ATOM 252 2HG2 ILE A 15 0.533 15.363 -15.161 1.00 0.00 H ATOM 253 3HG2 ILE A 15 1.632 14.674 -16.378 1.00 0.00 H ATOM 254 1HD1 ILE A 15 3.187 11.052 -14.525 1.00 0.00 H ATOM 255 2HD1 ILE A 15 2.225 11.838 -13.250 1.00 0.00 H ATOM 256 3HD1 ILE A 15 1.600 11.755 -14.915 1.00 0.00 H ATOM 257 N GLY A 16 1.623 17.196 -13.143 1.00 0.00 N ATOM 258 CA GLY A 16 0.705 18.320 -13.006 1.00 0.00 C ATOM 259 C GLY A 16 -0.744 17.851 -13.004 1.00 0.00 C ATOM 260 O GLY A 16 -1.670 18.660 -12.949 1.00 0.00 O ATOM 261 H GLY A 16 1.825 16.624 -12.335 1.00 0.00 H ATOM 262 1HA GLY A 16 0.919 18.855 -12.081 1.00 0.00 H ATOM 263 2HA GLY A 16 0.862 19.021 -13.826 1.00 0.00 H ATOM 264 N GLU A 17 -0.935 16.537 -13.065 1.00 0.00 N ATOM 265 CA GLU A 17 -2.270 15.954 -13.015 1.00 0.00 C ATOM 266 C GLU A 17 -2.654 15.575 -11.590 1.00 0.00 C ATOM 267 O GLU A 17 -1.989 14.757 -10.954 1.00 0.00 O ATOM 268 CB GLU A 17 -2.347 14.721 -13.918 1.00 0.00 C ATOM 269 CG GLU A 17 -3.720 14.066 -13.973 1.00 0.00 C ATOM 270 CD GLU A 17 -3.768 12.884 -14.900 1.00 0.00 C ATOM 271 OE1 GLU A 17 -2.760 12.572 -15.488 1.00 0.00 O ATOM 272 OE2 GLU A 17 -4.814 12.291 -15.021 1.00 0.00 O ATOM 273 H GLU A 17 -0.134 15.927 -13.147 1.00 0.00 H ATOM 274 HA GLU A 17 -2.984 16.691 -13.384 1.00 0.00 H ATOM 275 1HB GLU A 17 -2.068 14.997 -14.935 1.00 0.00 H ATOM 276 2HB GLU A 17 -1.633 13.972 -13.574 1.00 0.00 H ATOM 277 1HG GLU A 17 -3.995 13.738 -12.971 1.00 0.00 H ATOM 278 2HG GLU A 17 -4.451 14.806 -14.297 1.00 0.00 H ATOM 279 N ARG A 18 -3.729 16.176 -11.092 1.00 0.00 N ATOM 280 CA ARG A 18 -4.135 15.994 -9.704 1.00 0.00 C ATOM 281 C ARG A 18 -4.410 14.528 -9.398 1.00 0.00 C ATOM 282 O ARG A 18 -5.003 13.816 -10.209 1.00 0.00 O ATOM 283 CB ARG A 18 -5.380 16.814 -9.398 1.00 0.00 C ATOM 284 CG ARG A 18 -6.623 16.401 -10.170 1.00 0.00 C ATOM 285 CD ARG A 18 -7.827 17.139 -9.708 1.00 0.00 C ATOM 286 NE ARG A 18 -7.716 18.567 -9.959 1.00 0.00 N ATOM 287 CZ ARG A 18 -8.530 19.502 -9.430 1.00 0.00 C ATOM 288 NH1 ARG A 18 -9.506 19.144 -8.625 1.00 0.00 N ATOM 289 NH2 ARG A 18 -8.346 20.778 -9.720 1.00 0.00 N ATOM 290 H ARG A 18 -4.278 16.776 -11.691 1.00 0.00 H ATOM 291 HA ARG A 18 -3.327 16.340 -9.059 1.00 0.00 H ATOM 292 1HB ARG A 18 -5.612 16.741 -8.337 1.00 0.00 H ATOM 293 2HB ARG A 18 -5.188 17.863 -9.620 1.00 0.00 H ATOM 294 1HG ARG A 18 -6.479 16.609 -11.230 1.00 0.00 H ATOM 295 2HG ARG A 18 -6.801 15.334 -10.030 1.00 0.00 H ATOM 296 1HD ARG A 18 -8.705 16.768 -10.235 1.00 0.00 H ATOM 297 2HD ARG A 18 -7.956 16.990 -8.637 1.00 0.00 H ATOM 298 HE ARG A 18 -6.977 18.881 -10.574 1.00 0.00 H ATOM 299 1HH1 ARG A 18 -9.646 18.169 -8.404 1.00 0.00 H ATOM 300 2HH1 ARG A 18 -10.115 19.845 -8.229 1.00 0.00 H ATOM 301 1HH2 ARG A 18 -7.595 21.053 -10.339 1.00 0.00 H ATOM 302 2HH2 ARG A 18 -8.955 21.478 -9.324 1.00 0.00 H ATOM 303 N VAL A 19 -3.976 14.081 -8.224 1.00 0.00 N ATOM 304 CA VAL A 19 -4.202 12.706 -7.797 1.00 0.00 C ATOM 305 C VAL A 19 -4.915 12.658 -6.452 1.00 0.00 C ATOM 306 O VAL A 19 -4.637 13.461 -5.561 1.00 0.00 O ATOM 307 CB VAL A 19 -2.863 11.953 -7.692 1.00 0.00 C ATOM 308 CG1 VAL A 19 -1.938 12.645 -6.702 1.00 0.00 C ATOM 309 CG2 VAL A 19 -3.111 10.510 -7.279 1.00 0.00 C ATOM 310 H VAL A 19 -3.477 14.711 -7.613 1.00 0.00 H ATOM 311 HA VAL A 19 -4.825 12.210 -8.542 1.00 0.00 H ATOM 312 HB VAL A 19 -2.367 11.974 -8.663 1.00 0.00 H ATOM 313 1HG1 VAL A 19 -0.996 12.100 -6.640 1.00 0.00 H ATOM 314 2HG1 VAL A 19 -1.745 13.665 -7.036 1.00 0.00 H ATOM 315 3HG1 VAL A 19 -2.408 12.668 -5.719 1.00 0.00 H ATOM 316 1HG2 VAL A 19 -2.160 9.983 -7.208 1.00 0.00 H ATOM 317 2HG2 VAL A 19 -3.612 10.490 -6.311 1.00 0.00 H ATOM 318 3HG2 VAL A 19 -3.741 10.022 -8.023 1.00 0.00 H ATOM 319 N VAL A 20 -5.836 11.710 -6.310 1.00 0.00 N ATOM 320 CA VAL A 20 -6.643 11.601 -5.101 1.00 0.00 C ATOM 321 C VAL A 20 -6.231 10.392 -4.271 1.00 0.00 C ATOM 322 O VAL A 20 -6.204 9.265 -4.768 1.00 0.00 O ATOM 323 CB VAL A 20 -8.136 11.487 -5.463 1.00 0.00 C ATOM 324 CG1 VAL A 20 -8.983 11.386 -4.204 1.00 0.00 C ATOM 325 CG2 VAL A 20 -8.558 12.683 -6.303 1.00 0.00 C ATOM 326 H VAL A 20 -5.980 11.048 -7.060 1.00 0.00 H ATOM 327 HA VAL A 20 -6.496 12.502 -4.503 1.00 0.00 H ATOM 328 HB VAL A 20 -8.293 10.570 -6.031 1.00 0.00 H ATOM 329 1HG1 VAL A 20 -10.035 11.306 -4.478 1.00 0.00 H ATOM 330 2HG1 VAL A 20 -8.689 10.503 -3.637 1.00 0.00 H ATOM 331 3HG1 VAL A 20 -8.835 12.276 -3.593 1.00 0.00 H ATOM 332 1HG2 VAL A 20 -9.614 12.595 -6.556 1.00 0.00 H ATOM 333 2HG2 VAL A 20 -8.395 13.600 -5.737 1.00 0.00 H ATOM 334 3HG2 VAL A 20 -7.967 12.712 -7.218 1.00 0.00 H ATOM 335 N PHE A 21 -5.909 10.631 -3.004 1.00 0.00 N ATOM 336 CA PHE A 21 -5.636 9.550 -2.065 1.00 0.00 C ATOM 337 C PHE A 21 -6.634 9.555 -0.914 1.00 0.00 C ATOM 338 O PHE A 21 -6.519 10.352 0.017 1.00 0.00 O ATOM 339 CB PHE A 21 -4.213 9.667 -1.515 1.00 0.00 C ATOM 340 CG PHE A 21 -3.144 9.483 -2.554 1.00 0.00 C ATOM 341 CD1 PHE A 21 -2.524 10.580 -3.133 1.00 0.00 C ATOM 342 CD2 PHE A 21 -2.757 8.213 -2.955 1.00 0.00 C ATOM 343 CE1 PHE A 21 -1.540 10.411 -4.090 1.00 0.00 C ATOM 344 CE2 PHE A 21 -1.774 8.042 -3.909 1.00 0.00 C ATOM 345 CZ PHE A 21 -1.165 9.142 -4.477 1.00 0.00 C ATOM 346 H PHE A 21 -5.851 11.588 -2.684 1.00 0.00 H ATOM 347 HA PHE A 21 -5.720 8.601 -2.596 1.00 0.00 H ATOM 348 1HB PHE A 21 -4.079 10.648 -1.059 1.00 0.00 H ATOM 349 2HB PHE A 21 -4.063 8.921 -0.736 1.00 0.00 H ATOM 350 HD1 PHE A 21 -2.820 11.583 -2.826 1.00 0.00 H ATOM 351 HD2 PHE A 21 -3.239 7.343 -2.506 1.00 0.00 H ATOM 352 HE1 PHE A 21 -1.061 11.282 -4.537 1.00 0.00 H ATOM 353 HE2 PHE A 21 -1.479 7.038 -4.215 1.00 0.00 H ATOM 354 HZ PHE A 21 -0.391 9.009 -5.231 1.00 0.00 H ATOM 355 N GLY A 22 -7.614 8.661 -0.984 1.00 0.00 N ATOM 356 CA GLY A 22 -8.749 8.694 -0.069 1.00 0.00 C ATOM 357 C GLY A 22 -9.648 9.891 -0.349 1.00 0.00 C ATOM 358 O GLY A 22 -10.273 9.977 -1.406 1.00 0.00 O ATOM 359 H GLY A 22 -7.573 7.939 -1.690 1.00 0.00 H ATOM 360 1HA GLY A 22 -9.323 7.772 -0.167 1.00 0.00 H ATOM 361 2HA GLY A 22 -8.386 8.739 0.958 1.00 0.00 H ATOM 362 N THR A 23 -9.709 10.814 0.605 1.00 0.00 N ATOM 363 CA THR A 23 -10.539 12.006 0.466 1.00 0.00 C ATOM 364 C THR A 23 -9.685 13.247 0.234 1.00 0.00 C ATOM 365 O THR A 23 -10.206 14.355 0.115 1.00 0.00 O ATOM 366 CB THR A 23 -11.426 12.213 1.708 1.00 0.00 C ATOM 367 OG1 THR A 23 -10.598 12.393 2.864 1.00 0.00 O ATOM 368 CG2 THR A 23 -12.333 11.011 1.921 1.00 0.00 C ATOM 369 H THR A 23 -9.167 10.688 1.448 1.00 0.00 H ATOM 370 HA THR A 23 -11.198 11.869 -0.391 1.00 0.00 H ATOM 371 HB THR A 23 -12.038 13.104 1.573 1.00 0.00 H ATOM 372 HG1 THR A 23 -10.259 13.291 2.877 1.00 0.00 H ATOM 373 1HG2 THR A 23 -12.953 11.175 2.802 1.00 0.00 H ATOM 374 2HG2 THR A 23 -12.972 10.878 1.048 1.00 0.00 H ATOM 375 3HG2 THR A 23 -11.726 10.118 2.065 1.00 0.00 H ATOM 376 N LEU A 24 -8.372 13.053 0.171 1.00 0.00 N ATOM 377 CA LEU A 24 -7.443 14.159 -0.012 1.00 0.00 C ATOM 378 C LEU A 24 -6.968 14.248 -1.457 1.00 0.00 C ATOM 379 O LEU A 24 -6.377 13.305 -1.985 1.00 0.00 O ATOM 380 CB LEU A 24 -6.236 13.996 0.921 1.00 0.00 C ATOM 381 CG LEU A 24 -5.078 14.975 0.689 1.00 0.00 C ATOM 382 CD1 LEU A 24 -5.549 16.395 0.973 1.00 0.00 C ATOM 383 CD2 LEU A 24 -3.907 14.599 1.585 1.00 0.00 C ATOM 384 H LEU A 24 -8.010 12.113 0.252 1.00 0.00 H ATOM 385 HA LEU A 24 -7.955 15.087 0.245 1.00 0.00 H ATOM 386 1HB LEU A 24 -6.573 14.119 1.949 1.00 0.00 H ATOM 387 2HB LEU A 24 -5.843 12.986 0.808 1.00 0.00 H ATOM 388 HG LEU A 24 -4.766 14.930 -0.354 1.00 0.00 H ATOM 389 1HD1 LEU A 24 -4.727 17.091 0.807 1.00 0.00 H ATOM 390 2HD1 LEU A 24 -6.374 16.645 0.305 1.00 0.00 H ATOM 391 3HD1 LEU A 24 -5.884 16.468 2.007 1.00 0.00 H ATOM 392 1HD2 LEU A 24 -3.084 15.295 1.419 1.00 0.00 H ATOM 393 2HD2 LEU A 24 -4.218 14.646 2.629 1.00 0.00 H ATOM 394 3HD2 LEU A 24 -3.580 13.586 1.349 1.00 0.00 H ATOM 395 N THR A 25 -7.228 15.386 -2.091 1.00 0.00 N ATOM 396 CA THR A 25 -6.794 15.614 -3.464 1.00 0.00 C ATOM 397 C THR A 25 -5.556 16.499 -3.511 1.00 0.00 C ATOM 398 O THR A 25 -5.528 17.577 -2.917 1.00 0.00 O ATOM 399 CB THR A 25 -7.918 16.251 -4.302 1.00 0.00 C ATOM 400 OG1 THR A 25 -9.077 15.408 -4.272 1.00 0.00 O ATOM 401 CG2 THR A 25 -7.468 16.438 -5.743 1.00 0.00 C ATOM 402 H THR A 25 -7.740 16.112 -1.610 1.00 0.00 H ATOM 403 HA THR A 25 -6.553 14.651 -3.915 1.00 0.00 H ATOM 404 HB THR A 25 -8.180 17.221 -3.881 1.00 0.00 H ATOM 405 HG1 THR A 25 -9.503 15.481 -3.415 1.00 0.00 H ATOM 406 1HG2 THR A 25 -8.275 16.890 -6.320 1.00 0.00 H ATOM 407 2HG2 THR A 25 -6.594 17.088 -5.771 1.00 0.00 H ATOM 408 3HG2 THR A 25 -7.214 15.470 -6.173 1.00 0.00 H ATOM 409 N LEU A 26 -4.531 16.039 -4.221 1.00 0.00 N ATOM 410 CA LEU A 26 -3.286 16.787 -4.344 1.00 0.00 C ATOM 411 C LEU A 26 -3.223 17.537 -5.669 1.00 0.00 C ATOM 412 O LEU A 26 -3.087 16.929 -6.731 1.00 0.00 O ATOM 413 CB LEU A 26 -2.085 15.839 -4.229 1.00 0.00 C ATOM 414 CG LEU A 26 -2.134 14.843 -3.063 1.00 0.00 C ATOM 415 CD1 LEU A 26 -0.909 13.940 -3.115 1.00 0.00 C ATOM 416 CD2 LEU A 26 -2.197 15.603 -1.747 1.00 0.00 C ATOM 417 H LEU A 26 -4.617 15.146 -4.687 1.00 0.00 H ATOM 418 HA LEU A 26 -3.235 17.511 -3.530 1.00 0.00 H ATOM 419 1HB LEU A 26 -2.004 15.266 -5.151 1.00 0.00 H ATOM 420 2HB LEU A 26 -1.180 16.437 -4.116 1.00 0.00 H ATOM 421 HG LEU A 26 -3.018 14.212 -3.160 1.00 0.00 H ATOM 422 1HD1 LEU A 26 -0.944 13.231 -2.287 1.00 0.00 H ATOM 423 2HD1 LEU A 26 -0.899 13.393 -4.058 1.00 0.00 H ATOM 424 3HD1 LEU A 26 -0.007 14.545 -3.036 1.00 0.00 H ATOM 425 1HD2 LEU A 26 -2.232 14.895 -0.919 1.00 0.00 H ATOM 426 2HD2 LEU A 26 -1.313 16.234 -1.648 1.00 0.00 H ATOM 427 3HD2 LEU A 26 -3.091 16.227 -1.730 1.00 0.00 H ATOM 428 N THR A 27 -3.322 18.860 -5.599 1.00 0.00 N ATOM 429 CA THR A 27 -3.502 19.678 -6.793 1.00 0.00 C ATOM 430 C THR A 27 -2.302 20.586 -7.025 1.00 0.00 C ATOM 431 O THR A 27 -2.085 21.073 -8.134 1.00 0.00 O ATOM 432 CB THR A 27 -4.782 20.529 -6.695 1.00 0.00 C ATOM 433 OG1 THR A 27 -4.652 21.471 -5.622 1.00 0.00 O ATOM 434 CG2 THR A 27 -5.993 19.644 -6.442 1.00 0.00 C ATOM 435 H THR A 27 -3.272 19.310 -4.697 1.00 0.00 H ATOM 436 HA THR A 27 -3.613 19.016 -7.653 1.00 0.00 H ATOM 437 HB THR A 27 -4.927 21.077 -7.625 1.00 0.00 H ATOM 438 HG1 THR A 27 -5.393 22.081 -5.640 1.00 0.00 H ATOM 439 1HG2 THR A 27 -6.888 20.262 -6.376 1.00 0.00 H ATOM 440 2HG2 THR A 27 -6.102 18.934 -7.262 1.00 0.00 H ATOM 441 3HG2 THR A 27 -5.858 19.100 -5.508 1.00 0.00 H ATOM 442 N ASN A 28 -1.523 20.808 -5.971 1.00 0.00 N ATOM 443 CA ASN A 28 -0.447 21.792 -6.009 1.00 0.00 C ATOM 444 C ASN A 28 0.733 21.350 -5.151 1.00 0.00 C ATOM 445 O ASN A 28 0.669 20.325 -4.472 1.00 0.00 O ATOM 446 CB ASN A 28 -0.951 23.153 -5.564 1.00 0.00 C ATOM 447 CG ASN A 28 -1.485 23.140 -4.159 1.00 0.00 C ATOM 448 OD1 ASN A 28 -0.905 22.509 -3.267 1.00 0.00 O ATOM 449 ND2 ASN A 28 -2.580 23.823 -3.944 1.00 0.00 N ATOM 450 H ASN A 28 -1.681 20.284 -5.123 1.00 0.00 H ATOM 451 HA ASN A 28 -0.109 21.896 -7.041 1.00 0.00 H ATOM 452 1HB ASN A 28 -0.140 23.879 -5.625 1.00 0.00 H ATOM 453 2HB ASN A 28 -1.741 23.486 -6.237 1.00 0.00 H ATOM 454 1HD2 ASN A 28 -2.981 23.851 -3.027 1.00 0.00 H ATOM 455 2HD2 ASN A 28 -3.016 24.318 -4.695 1.00 0.00 H ATOM 456 N GLU A 29 1.808 22.129 -5.187 1.00 0.00 N ATOM 457 CA GLU A 29 3.077 21.710 -4.606 1.00 0.00 C ATOM 458 C GLU A 29 2.964 21.544 -3.097 1.00 0.00 C ATOM 459 O GLU A 29 3.536 20.618 -2.520 1.00 0.00 O ATOM 460 CB GLU A 29 4.176 22.723 -4.936 1.00 0.00 C ATOM 461 CG GLU A 29 4.491 22.848 -6.420 1.00 0.00 C ATOM 462 CD GLU A 29 3.497 23.701 -7.159 1.00 0.00 C ATOM 463 OE1 GLU A 29 2.605 24.220 -6.531 1.00 0.00 O ATOM 464 OE2 GLU A 29 3.630 23.834 -8.352 1.00 0.00 O ATOM 465 H GLU A 29 1.744 23.036 -5.629 1.00 0.00 H ATOM 466 HA GLU A 29 3.359 20.752 -5.044 1.00 0.00 H ATOM 467 1HB GLU A 29 3.884 23.708 -4.571 1.00 0.00 H ATOM 468 2HB GLU A 29 5.095 22.444 -4.421 1.00 0.00 H ATOM 469 1HG GLU A 29 5.483 23.284 -6.534 1.00 0.00 H ATOM 470 2HG GLU A 29 4.508 21.853 -6.862 1.00 0.00 H ATOM 471 N GLU A 30 2.223 22.445 -2.461 1.00 0.00 N ATOM 472 CA GLU A 30 2.081 22.435 -1.011 1.00 0.00 C ATOM 473 C GLU A 30 1.375 21.173 -0.534 1.00 0.00 C ATOM 474 O GLU A 30 1.741 20.593 0.488 1.00 0.00 O ATOM 475 CB GLU A 30 1.310 23.671 -0.542 1.00 0.00 C ATOM 476 CG GLU A 30 2.065 24.982 -0.704 1.00 0.00 C ATOM 477 CD GLU A 30 1.272 26.175 -0.248 1.00 0.00 C ATOM 478 OE1 GLU A 30 0.124 26.007 0.090 1.00 0.00 O ATOM 479 OE2 GLU A 30 1.813 27.255 -0.237 1.00 0.00 O ATOM 480 H GLU A 30 1.744 23.155 -2.997 1.00 0.00 H ATOM 481 HA GLU A 30 3.076 22.468 -0.566 1.00 0.00 H ATOM 482 1HB GLU A 30 0.377 23.751 -1.100 1.00 0.00 H ATOM 483 2HB GLU A 30 1.053 23.561 0.512 1.00 0.00 H ATOM 484 1HG GLU A 30 2.988 24.932 -0.126 1.00 0.00 H ATOM 485 2HG GLU A 30 2.332 25.109 -1.752 1.00 0.00 H ATOM 486 N LEU A 31 0.359 20.751 -1.280 1.00 0.00 N ATOM 487 CA LEU A 31 -0.392 19.548 -0.943 1.00 0.00 C ATOM 488 C LEU A 31 0.459 18.298 -1.124 1.00 0.00 C ATOM 489 O LEU A 31 0.420 17.385 -0.298 1.00 0.00 O ATOM 490 CB LEU A 31 -1.650 19.447 -1.815 1.00 0.00 C ATOM 491 CG LEU A 31 -2.763 20.454 -1.496 1.00 0.00 C ATOM 492 CD1 LEU A 31 -3.742 20.516 -2.661 1.00 0.00 C ATOM 493 CD2 LEU A 31 -3.467 20.043 -0.212 1.00 0.00 C ATOM 494 H LEU A 31 0.101 21.278 -2.103 1.00 0.00 H ATOM 495 HA LEU A 31 -0.700 19.614 0.101 1.00 0.00 H ATOM 496 1HB LEU A 31 -1.364 19.589 -2.856 1.00 0.00 H ATOM 497 2HB LEU A 31 -2.068 18.446 -1.708 1.00 0.00 H ATOM 498 HG LEU A 31 -2.331 21.447 -1.371 1.00 0.00 H ATOM 499 1HD1 LEU A 31 -4.532 21.232 -2.435 1.00 0.00 H ATOM 500 2HD1 LEU A 31 -3.215 20.832 -3.562 1.00 0.00 H ATOM 501 3HD1 LEU A 31 -4.179 19.531 -2.822 1.00 0.00 H ATOM 502 1HD2 LEU A 31 -4.258 20.759 0.015 1.00 0.00 H ATOM 503 2HD2 LEU A 31 -3.902 19.051 -0.337 1.00 0.00 H ATOM 504 3HD2 LEU A 31 -2.749 20.024 0.607 1.00 0.00 H ATOM 505 N PHE A 32 1.227 18.263 -2.206 1.00 0.00 N ATOM 506 CA PHE A 32 2.098 17.129 -2.491 1.00 0.00 C ATOM 507 C PHE A 32 3.221 17.026 -1.469 1.00 0.00 C ATOM 508 O PHE A 32 3.576 15.933 -1.029 1.00 0.00 O ATOM 509 CB PHE A 32 2.690 17.249 -3.897 1.00 0.00 C ATOM 510 CG PHE A 32 1.774 16.764 -4.984 1.00 0.00 C ATOM 511 CD1 PHE A 32 1.166 17.660 -5.851 1.00 0.00 C ATOM 512 CD2 PHE A 32 1.518 15.410 -5.142 1.00 0.00 C ATOM 513 CE1 PHE A 32 0.323 17.214 -6.851 1.00 0.00 C ATOM 514 CE2 PHE A 32 0.677 14.962 -6.142 1.00 0.00 C ATOM 515 CZ PHE A 32 0.079 15.865 -6.997 1.00 0.00 C ATOM 516 H PHE A 32 1.207 19.042 -2.849 1.00 0.00 H ATOM 517 HA PHE A 32 1.503 16.216 -2.449 1.00 0.00 H ATOM 518 1HB PHE A 32 2.936 18.291 -4.100 1.00 0.00 H ATOM 519 2HB PHE A 32 3.615 16.678 -3.952 1.00 0.00 H ATOM 520 HD1 PHE A 32 1.361 18.727 -5.736 1.00 0.00 H ATOM 521 HD2 PHE A 32 1.990 14.696 -4.466 1.00 0.00 H ATOM 522 HE1 PHE A 32 -0.148 17.929 -7.525 1.00 0.00 H ATOM 523 HE2 PHE A 32 0.484 13.895 -6.256 1.00 0.00 H ATOM 524 HZ PHE A 32 -0.586 15.513 -7.785 1.00 0.00 H ATOM 525 N THR A 33 3.780 18.172 -1.094 1.00 0.00 N ATOM 526 CA THR A 33 4.883 18.212 -0.142 1.00 0.00 C ATOM 527 C THR A 33 4.450 17.694 1.224 1.00 0.00 C ATOM 528 O THR A 33 5.132 16.868 1.831 1.00 0.00 O ATOM 529 CB THR A 33 5.443 19.639 -0.001 1.00 0.00 C ATOM 530 OG1 THR A 33 5.949 20.084 -1.266 1.00 0.00 O ATOM 531 CG2 THR A 33 6.562 19.674 1.029 1.00 0.00 C ATOM 532 H THR A 33 3.432 19.039 -1.479 1.00 0.00 H ATOM 533 HA THR A 33 5.688 17.579 -0.517 1.00 0.00 H ATOM 534 HB THR A 33 4.646 20.313 0.314 1.00 0.00 H ATOM 535 HG1 THR A 33 5.215 20.263 -1.859 1.00 0.00 H ATOM 536 1HG2 THR A 33 6.945 20.691 1.115 1.00 0.00 H ATOM 537 2HG2 THR A 33 6.178 19.348 1.995 1.00 0.00 H ATOM 538 3HG2 THR A 33 7.366 19.010 0.715 1.00 0.00 H ATOM 539 N LYS A 34 3.312 18.185 1.704 1.00 0.00 N ATOM 540 CA LYS A 34 2.789 17.777 3.002 1.00 0.00 C ATOM 541 C LYS A 34 2.365 16.314 2.991 1.00 0.00 C ATOM 542 O LYS A 34 2.578 15.588 3.961 1.00 0.00 O ATOM 543 CB LYS A 34 1.610 18.663 3.407 1.00 0.00 C ATOM 544 CG LYS A 34 1.992 20.093 3.767 1.00 0.00 C ATOM 545 CD LYS A 34 0.762 20.929 4.087 1.00 0.00 C ATOM 546 CE LYS A 34 1.139 22.367 4.412 1.00 0.00 C ATOM 547 NZ LYS A 34 -0.057 23.207 4.689 1.00 0.00 N ATOM 548 H LYS A 34 2.796 18.856 1.154 1.00 0.00 H ATOM 549 HA LYS A 34 3.574 17.906 3.748 1.00 0.00 H ATOM 550 1HB LYS A 34 0.889 18.705 2.591 1.00 0.00 H ATOM 551 2HB LYS A 34 1.105 18.225 4.268 1.00 0.00 H ATOM 552 1HG LYS A 34 2.653 20.086 4.634 1.00 0.00 H ATOM 553 2HG LYS A 34 2.523 20.548 2.931 1.00 0.00 H ATOM 554 1HD LYS A 34 0.085 20.924 3.232 1.00 0.00 H ATOM 555 2HD LYS A 34 0.242 20.498 4.943 1.00 0.00 H ATOM 556 1HE LYS A 34 1.790 22.384 5.286 1.00 0.00 H ATOM 557 2HE LYS A 34 1.684 22.799 3.573 1.00 0.00 H ATOM 558 1HZ LYS A 34 0.235 24.151 4.899 1.00 0.00 H ATOM 559 2HZ LYS A 34 -0.660 23.214 3.878 1.00 0.00 H ATOM 560 3HZ LYS A 34 -0.561 22.828 5.478 1.00 0.00 H ATOM 561 N PHE A 35 1.761 15.887 1.886 1.00 0.00 N ATOM 562 CA PHE A 35 1.295 14.512 1.750 1.00 0.00 C ATOM 563 C PHE A 35 2.448 13.525 1.875 1.00 0.00 C ATOM 564 O PHE A 35 2.379 12.571 2.651 1.00 0.00 O ATOM 565 CB PHE A 35 0.593 14.316 0.405 1.00 0.00 C ATOM 566 CG PHE A 35 0.178 12.897 0.140 1.00 0.00 C ATOM 567 CD1 PHE A 35 -0.968 12.374 0.722 1.00 0.00 C ATOM 568 CD2 PHE A 35 0.931 12.081 -0.691 1.00 0.00 C ATOM 569 CE1 PHE A 35 -1.351 11.069 0.479 1.00 0.00 C ATOM 570 CE2 PHE A 35 0.550 10.777 -0.937 1.00 0.00 C ATOM 571 CZ PHE A 35 -0.593 10.270 -0.351 1.00 0.00 C ATOM 572 H PHE A 35 1.622 16.531 1.121 1.00 0.00 H ATOM 573 HA PHE A 35 0.575 14.311 2.544 1.00 0.00 H ATOM 574 1HB PHE A 35 -0.295 14.944 0.364 1.00 0.00 H ATOM 575 2HB PHE A 35 1.255 14.632 -0.400 1.00 0.00 H ATOM 576 HD1 PHE A 35 -1.568 13.006 1.377 1.00 0.00 H ATOM 577 HD2 PHE A 35 1.834 12.482 -1.154 1.00 0.00 H ATOM 578 HE1 PHE A 35 -2.253 10.671 0.943 1.00 0.00 H ATOM 579 HE2 PHE A 35 1.150 10.147 -1.593 1.00 0.00 H ATOM 580 HZ PHE A 35 -0.894 9.241 -0.542 1.00 0.00 H ATOM 581 N LEU A 36 3.507 13.758 1.107 1.00 0.00 N ATOM 582 CA LEU A 36 4.630 12.832 1.048 1.00 0.00 C ATOM 583 C LEU A 36 5.336 12.737 2.394 1.00 0.00 C ATOM 584 O LEU A 36 5.737 11.654 2.821 1.00 0.00 O ATOM 585 CB LEU A 36 5.627 13.276 -0.030 1.00 0.00 C ATOM 586 CG LEU A 36 5.118 13.205 -1.475 1.00 0.00 C ATOM 587 CD1 LEU A 36 6.092 13.933 -2.392 1.00 0.00 C ATOM 588 CD2 LEU A 36 4.962 11.750 -1.889 1.00 0.00 C ATOM 589 H LEU A 36 3.533 14.600 0.549 1.00 0.00 H ATOM 590 HA LEU A 36 4.251 11.844 0.782 1.00 0.00 H ATOM 591 1HB LEU A 36 5.918 14.306 0.169 1.00 0.00 H ATOM 592 2HB LEU A 36 6.516 12.649 0.040 1.00 0.00 H ATOM 593 HG LEU A 36 4.154 13.708 -1.547 1.00 0.00 H ATOM 594 1HD1 LEU A 36 5.730 13.884 -3.420 1.00 0.00 H ATOM 595 2HD1 LEU A 36 6.169 14.977 -2.086 1.00 0.00 H ATOM 596 3HD1 LEU A 36 7.072 13.462 -2.330 1.00 0.00 H ATOM 597 1HD2 LEU A 36 4.600 11.700 -2.916 1.00 0.00 H ATOM 598 2HD2 LEU A 36 5.927 11.246 -1.819 1.00 0.00 H ATOM 599 3HD2 LEU A 36 4.248 11.258 -1.228 1.00 0.00 H ATOM 600 N ARG A 37 5.488 13.878 3.058 1.00 0.00 N ATOM 601 CA ARG A 37 6.194 13.934 4.333 1.00 0.00 C ATOM 602 C ARG A 37 5.397 13.248 5.435 1.00 0.00 C ATOM 603 O ARG A 37 5.941 12.461 6.210 1.00 0.00 O ATOM 604 CB ARG A 37 6.467 15.377 4.730 1.00 0.00 C ATOM 605 CG ARG A 37 7.527 16.081 3.898 1.00 0.00 C ATOM 606 CD ARG A 37 7.669 17.508 4.283 1.00 0.00 C ATOM 607 NE ARG A 37 8.695 18.181 3.502 1.00 0.00 N ATOM 608 CZ ARG A 37 8.979 19.495 3.582 1.00 0.00 C ATOM 609 NH1 ARG A 37 8.307 20.263 4.411 1.00 0.00 N ATOM 610 NH2 ARG A 37 9.934 20.012 2.828 1.00 0.00 N ATOM 611 H ARG A 37 5.104 14.728 2.671 1.00 0.00 H ATOM 612 HA ARG A 37 7.150 13.421 4.222 1.00 0.00 H ATOM 613 1HB ARG A 37 5.548 15.956 4.651 1.00 0.00 H ATOM 614 2HB ARG A 37 6.787 15.414 5.771 1.00 0.00 H ATOM 615 1HG ARG A 37 8.489 15.589 4.042 1.00 0.00 H ATOM 616 2HG ARG A 37 7.251 16.036 2.844 1.00 0.00 H ATOM 617 1HD ARG A 37 6.724 18.025 4.120 1.00 0.00 H ATOM 618 2HD ARG A 37 7.943 17.576 5.335 1.00 0.00 H ATOM 619 HE ARG A 37 9.234 17.622 2.853 1.00 0.00 H ATOM 620 1HH1 ARG A 37 7.578 19.868 4.987 1.00 0.00 H ATOM 621 2HH1 ARG A 37 8.520 21.249 4.471 1.00 0.00 H ATOM 622 1HH2 ARG A 37 10.450 19.422 2.191 1.00 0.00 H ATOM 623 2HH2 ARG A 37 10.146 20.997 2.888 1.00 0.00 H ATOM 624 N LYS A 38 4.106 13.552 5.501 1.00 0.00 N ATOM 625 CA LYS A 38 3.239 12.995 6.532 1.00 0.00 C ATOM 626 C LYS A 38 3.087 11.488 6.370 1.00 0.00 C ATOM 627 O LYS A 38 3.032 10.751 7.355 1.00 0.00 O ATOM 628 CB LYS A 38 1.866 13.669 6.498 1.00 0.00 C ATOM 629 CG LYS A 38 1.854 15.100 7.019 1.00 0.00 C ATOM 630 CD LYS A 38 0.457 15.697 6.962 1.00 0.00 C ATOM 631 CE LYS A 38 0.434 17.111 7.525 1.00 0.00 C ATOM 632 NZ LYS A 38 -0.937 17.690 7.522 1.00 0.00 N ATOM 633 H LYS A 38 3.713 14.185 4.818 1.00 0.00 H ATOM 634 HA LYS A 38 3.685 13.199 7.506 1.00 0.00 H ATOM 635 1HB LYS A 38 1.492 13.682 5.474 1.00 0.00 H ATOM 636 2HB LYS A 38 1.162 13.090 7.096 1.00 0.00 H ATOM 637 1HG LYS A 38 2.205 15.114 8.052 1.00 0.00 H ATOM 638 2HG LYS A 38 2.527 15.711 6.418 1.00 0.00 H ATOM 639 1HD LYS A 38 0.113 15.722 5.927 1.00 0.00 H ATOM 640 2HD LYS A 38 -0.229 15.076 7.538 1.00 0.00 H ATOM 641 1HE LYS A 38 0.808 17.100 8.548 1.00 0.00 H ATOM 642 2HE LYS A 38 1.086 17.750 6.930 1.00 0.00 H ATOM 643 1HZ LYS A 38 -0.908 18.625 7.902 1.00 0.00 H ATOM 644 2HZ LYS A 38 -1.287 17.722 6.574 1.00 0.00 H ATOM 645 3HZ LYS A 38 -1.546 17.116 8.086 1.00 0.00 H ATOM 646 N LEU A 39 3.021 11.035 5.122 1.00 0.00 N ATOM 647 CA LEU A 39 2.851 9.617 4.830 1.00 0.00 C ATOM 648 C LEU A 39 4.009 8.798 5.385 1.00 0.00 C ATOM 649 O LEU A 39 3.800 7.788 6.058 1.00 0.00 O ATOM 650 CB LEU A 39 2.741 9.397 3.316 1.00 0.00 C ATOM 651 CG LEU A 39 2.681 7.934 2.859 1.00 0.00 C ATOM 652 CD1 LEU A 39 1.444 7.268 3.447 1.00 0.00 C ATOM 653 CD2 LEU A 39 2.661 7.878 1.338 1.00 0.00 C ATOM 654 H LEU A 39 3.091 11.691 4.358 1.00 0.00 H ATOM 655 HA LEU A 39 1.926 9.277 5.296 1.00 0.00 H ATOM 656 1HB LEU A 39 1.840 9.893 2.958 1.00 0.00 H ATOM 657 2HB LEU A 39 3.602 9.860 2.834 1.00 0.00 H ATOM 658 HG LEU A 39 3.556 7.401 3.230 1.00 0.00 H ATOM 659 1HD1 LEU A 39 1.402 6.229 3.123 1.00 0.00 H ATOM 660 2HD1 LEU A 39 1.494 7.306 4.536 1.00 0.00 H ATOM 661 3HD1 LEU A 39 0.552 7.792 3.106 1.00 0.00 H ATOM 662 1HD2 LEU A 39 2.619 6.838 1.013 1.00 0.00 H ATOM 663 2HD2 LEU A 39 1.785 8.410 0.966 1.00 0.00 H ATOM 664 3HD2 LEU A 39 3.564 8.345 0.945 1.00 0.00 H ATOM 665 N GLU A 40 5.230 9.238 5.100 1.00 0.00 N ATOM 666 CA GLU A 40 6.423 8.528 5.542 1.00 0.00 C ATOM 667 C GLU A 40 6.500 8.474 7.062 1.00 0.00 C ATOM 668 O GLU A 40 6.899 7.460 7.638 1.00 0.00 O ATOM 669 CB GLU A 40 7.680 9.197 4.982 1.00 0.00 C ATOM 670 CG GLU A 40 7.907 8.964 3.495 1.00 0.00 C ATOM 671 CD GLU A 40 9.159 9.619 2.984 1.00 0.00 C ATOM 672 OE1 GLU A 40 9.660 10.497 3.645 1.00 0.00 O ATOM 673 OE2 GLU A 40 9.616 9.241 1.931 1.00 0.00 O ATOM 674 H GLU A 40 5.333 10.088 4.563 1.00 0.00 H ATOM 675 HA GLU A 40 6.381 7.507 5.158 1.00 0.00 H ATOM 676 1HB GLU A 40 7.623 10.273 5.146 1.00 0.00 H ATOM 677 2HB GLU A 40 8.557 8.830 5.515 1.00 0.00 H ATOM 678 1HG GLU A 40 7.971 7.891 3.312 1.00 0.00 H ATOM 679 2HG GLU A 40 7.050 9.348 2.943 1.00 0.00 H ATOM 680 N GLU A 41 6.116 9.568 7.709 1.00 0.00 N ATOM 681 CA GLU A 41 6.151 9.652 9.164 1.00 0.00 C ATOM 682 C GLU A 41 5.172 8.671 9.796 1.00 0.00 C ATOM 683 O GLU A 41 5.473 8.045 10.812 1.00 0.00 O ATOM 684 CB GLU A 41 5.830 11.076 9.624 1.00 0.00 C ATOM 685 CG GLU A 41 6.934 12.088 9.355 1.00 0.00 C ATOM 686 CD GLU A 41 6.561 13.485 9.767 1.00 0.00 C ATOM 687 OE1 GLU A 41 5.430 13.693 10.134 1.00 0.00 O ATOM 688 OE2 GLU A 41 7.409 14.344 9.715 1.00 0.00 O ATOM 689 H GLU A 41 5.791 10.364 7.178 1.00 0.00 H ATOM 690 HA GLU A 41 7.159 9.405 9.501 1.00 0.00 H ATOM 691 1HB GLU A 41 4.927 11.425 9.124 1.00 0.00 H ATOM 692 2HB GLU A 41 5.631 11.076 10.696 1.00 0.00 H ATOM 693 1HG GLU A 41 7.829 11.787 9.899 1.00 0.00 H ATOM 694 2HG GLU A 41 7.169 12.078 8.291 1.00 0.00 H ATOM 695 N LYS A 42 3.997 8.541 9.188 1.00 0.00 N ATOM 696 CA LYS A 42 2.965 7.647 9.698 1.00 0.00 C ATOM 697 C LYS A 42 3.387 6.189 9.572 1.00 0.00 C ATOM 698 O LYS A 42 3.206 5.398 10.497 1.00 0.00 O ATOM 699 CB LYS A 42 1.644 7.877 8.961 1.00 0.00 C ATOM 700 CG LYS A 42 0.937 9.175 9.327 1.00 0.00 C ATOM 701 CD LYS A 42 -0.338 9.358 8.517 1.00 0.00 C ATOM 702 CE LYS A 42 -1.043 10.657 8.879 1.00 0.00 C ATOM 703 NZ LYS A 42 -2.296 10.845 8.099 1.00 0.00 N ATOM 704 H LYS A 42 3.815 9.076 8.350 1.00 0.00 H ATOM 705 HA LYS A 42 2.801 7.874 10.752 1.00 0.00 H ATOM 706 1HB LYS A 42 1.824 7.886 7.885 1.00 0.00 H ATOM 707 2HB LYS A 42 0.962 7.053 9.171 1.00 0.00 H ATOM 708 1HG LYS A 42 0.685 9.165 10.388 1.00 0.00 H ATOM 709 2HG LYS A 42 1.602 10.017 9.138 1.00 0.00 H ATOM 710 1HD LYS A 42 -0.095 9.369 7.454 1.00 0.00 H ATOM 711 2HD LYS A 42 -1.013 8.524 8.709 1.00 0.00 H ATOM 712 1HE LYS A 42 -1.287 10.655 9.940 1.00 0.00 H ATOM 713 2HE LYS A 42 -0.378 11.498 8.683 1.00 0.00 H ATOM 714 1HZ LYS A 42 -2.732 11.716 8.367 1.00 0.00 H ATOM 715 2HZ LYS A 42 -2.079 10.868 7.112 1.00 0.00 H ATOM 716 3HZ LYS A 42 -2.929 10.081 8.287 1.00 0.00 H ATOM 717 N GLY A 43 3.953 5.840 8.422 1.00 0.00 N ATOM 718 CA GLY A 43 4.428 4.482 8.183 1.00 0.00 C ATOM 719 C GLY A 43 3.352 3.630 7.523 1.00 0.00 C ATOM 720 O GLY A 43 2.158 3.847 7.734 1.00 0.00 O ATOM 721 OXT GLY A 43 3.663 2.734 6.788 1.00 0.00 O ATOM 722 H GLY A 43 4.056 6.532 7.694 1.00 0.00 H ATOM 723 1HA GLY A 43 5.313 4.512 7.547 1.00 0.00 H ATOM 724 2HA GLY A 43 4.726 4.029 9.128 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE start17_0074_0002.pdb label fa_atr fa_rep fa_sol fa_intra_atr_xover4 fa_intra_rep_xover4 fa_intra_sol_xover4 lk_ball lk_ball_iso lk_ball_bridge lk_ball_bridge_uncpl fa_elec fa_intra_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun_dev fa_dun_rot fa_dun_semi p_aa_pp hxl_tors ref rama_prepro gen_bonded total weights 1 0.55 1 1 0.55 1 0.92 -0.38 -0.33 -0.33 1 1 1.25 1 1 1 1 1.25 0.48 0.69 0.76 0.78 0.61 1 1 0.5 1 NA pose -231.081 26.325 157.31 -15.7188 8.04197 10.5982 82.668 -92.7868 -0.3659 -2.76308 -58.1741 -12.4379 0 -29.1138 -2.45937 -1.15825 0 0 1.95527 4.53108 24.2277 37.5198 -12.0222 11.4854 -24.0732 -0.85694 0 -118.349 THR:NtermProteinFull_1 -3.8731 0.32475 3.4284 -0.18401 0.12389 0.06934 1.88941 -1.73018 -0.03895 -0.28064 -1.34466 -1.05765 0 0 0 0 0 0 0.23219 0.00091 0.07203 0 0 2.28636 -1.0874 0 0 -1.16932 LEU_2 -7.09674 1.02636 3.51474 -0.68155 0.57426 0.2887 1.61469 -2.39035 -0 -0 -1.5761 -0.08728 0 0 0 0 0 0 0.01049 0.51555 1.89218 0 -0.26312 0 0.18072 0.03807 0 -2.43935 GLU_3 -4.69197 0.29765 4.81903 -0.46333 0.22752 1.44889 1.83643 -2.36579 -0.02913 -0.16171 -1.21716 -2.80277 0 0 0 0 0 0 0.06123 0.01836 0 3.98868 -0.22255 0 -2.7348 -0.13426 0 -2.12567 GLU_4 -5.15147 0.40159 5.57127 -0.21446 0.02984 0.29856 2.15829 -2.54054 -0.08132 -0.5813 -1.46328 -0.56867 0 0 0 0 0 0 0.0348 0.01399 0 3.05236 -0.28963 0 -2.7348 -0.39911 0 -2.4639 ILE_5 -7.77446 1.41803 3.94234 -0.51686 0.63472 0.10281 2.85229 -2.81421 -0 -0 -1.82862 0.06689 0 0 0 0 0 0 0.0001 0.05994 0.65782 0 -0.35821 0 0.73287 -0.06853 0 -2.89309 LEU_6 -9.26351 1.50833 5.17387 -0.50457 0.59168 0.11715 2.97742 -3.22985 -0 -0 -2.4722 0.28148 0 0 0 0 0 0 -0.02988 0.02592 0.59065 0 -0.21889 0 0.18072 0.35864 0 -3.91304 GLU_7 -5.03641 0.28621 6.01692 -0.21357 0.02581 0.29149 2.37645 -2.66386 -0.01325 -0.13895 -1.89048 -0.58537 0 0 0 0 0 0 -0.03814 0.04048 0 3.02952 -0.19865 0 -2.7348 0.05365 0 -1.39295 ILE_8 -5.9697 0.55913 4.30159 -0.50942 0.54692 0.09959 2.59489 -2.54932 -0 -0 -1.90458 0.11393 0 0 0 0 0 0 -0.06547 0.12028 0.51164 0 -0.48269 0 0.73287 0.08964 0 -1.8107 ALA_9 -6.63774 0.91633 2.44643 -0.02201 0 0 2.68902 -2.59877 -0 -0 -1.74883 -0.35627 0 0 0 0 0 0 -0.04852 0 0 0 -0.16965 0 1.8394 0.13904 0 -3.55156 ARG_10 -7.28988 0.7045 6.61883 -0.44726 0.065 0.22644 2.83584 -3.21729 -0 -0 -2.50977 0.35007 0 0 0 0 0 0 0.28286 0.34474 2.06138 0 -0.07099 0 -1.2888 -0.1326 0 -1.46692 LYS_11 -5.18456 0.59363 5.66526 -0.30406 0.02635 0.13458 2.76917 -2.68702 -0.00092 -0.01857 -2.41919 -0.02649 0 0 0 0 0 0 0.0518 0.07747 1.76498 0 -0.00989 0 -1.5107 -0.1497 0 -1.22786 ALA_12 -6.08989 0.50842 3.98433 -0.0226 0 0 2.94186 -2.87952 -0 -0 -2.51586 -0.37062 0 0 0 0 0 0 0.07311 0 0 0 -0.32558 0 1.8394 -0.32063 0 -3.17758 LEU_13 -6.21355 0.97538 3.6959 -0.7147 0.42202 0.28007 1.74325 -2.29828 -0 -0 -0.64904 0.17406 0 0 0 0 0 0 -0.00692 0.16448 0.78761 0 -0.19457 0 0.18072 0.12923 0 -1.52434 GLU_14 -2.90953 0.07498 3.50605 -0.21498 0.02528 0.29146 1.18952 -1.59231 -0.00092 -0.01857 -0.129 -0.58256 0 0 0 0 0 0 -0.04932 0.07575 0 3.03234 -0.30116 0 -2.7348 0.1058 0 -0.23197 ILE_15 -4.25638 0.44813 3.33234 -0.51165 0.54727 0.10153 1.90544 -1.81523 -0 -0 -0.47525 0.05393 0 0 0 0 0 0 -0.06324 0.19311 0.63674 0 -0.47301 0 0.73287 -0.10334 0 0.25328 GLY_16 -1.75108 0.08693 2.20484 -7e-05 0 0 0.92138 -1.12246 -0 -0 -1.11595 -0.37976 0 0 0 0 0 0 -0.08752 0 0 0 -1.53139 0 0.83697 -0.1539 0 -2.09202 GLU_17 -2.73909 0.18517 2.76852 -0.32087 0.06471 0.41414 1.52417 -1.37349 -0.00818 -0.08763 -0.00787 -0.37713 0 0 0 0 0 0 0.03537 0.00705 0 2.89416 0.243 0 -2.7348 -0.31697 0 0.17028 ARG_18 -3.67986 0.23578 1.60919 -0.84549 0.45733 0.63543 0.46916 -1.03006 -0 -0 -0.17224 0.42628 0 0 0 0 0 0 -0.07158 0.16962 3.11472 0 0.00208 0 -1.2888 -0.19854 0 -0.16699 VAL_19 -6.34486 1.07897 1.28965 -0.38135 0.51419 0.09185 2.12131 -1.87068 -0.01166 -0.03726 -1.4093 -0.04808 0 0 0 0 0 0 0.10294 0.01747 0.74835 0 -0.6835 0 1.9342 -0.32453 0 -3.21228 VAL_20 -4.13207 0.5597 0.97709 -0.27823 0.19089 0.05826 0.47988 -1.32048 -0 -0 -0.29338 -0.17892 0 0 0 0 0 0 0.4693 0.06464 0.23739 0 -0.69271 0 1.9342 -0.40423 0 -2.32867 PHE_21 -7.86276 1.21142 0.41315 -0.59856 0.03131 0.32357 1.56501 -1.75126 -0.01166 -0.03726 -1.54005 0.02698 0 0 0 0 0 0 0.21292 0.01255 0 2.36768 -0.29543 0 1.0402 -0.01971 0 -4.91191 GLY_22 -1.32395 0.05872 1.25421 -0.0002 0 0 0.26892 -0.76094 -0 -0 0.33318 -0.33068 0 0 0 0 0 0 -0.32014 0 0 0 -1.34599 0 0.83697 0.8835 0 -0.44641 THR_23 -1.23296 0.06944 1.23962 -0.12539 0.05854 0.07509 0.15727 -0.69532 -0.00227 -0.00624 -0.12678 -0.9897 0 0 0 0 0 0 -0.05213 0.00665 0.03932 0 -0.49889 2.30148 -1.0874 0.44431 0 -0.42538 LEU_24 -4.44067 0.36103 3.01467 -0.63385 0.34397 0.18251 1.79019 -1.88997 -0.00643 -0.01991 -1.45456 0.27949 0 0 0 0 0 0 0.03626 0.24947 0.57126 0 -0.36102 0 0.18072 -0.27838 0 -2.07522 THR_25 -4.92708 0.79117 1.54147 -0.17263 0.10018 0.06166 0.84877 -1.54928 -0.00951 -0.10532 -0.17433 -0.09862 0 0 0 0 0 0 -0.04409 0.13244 0.12816 0 -0.07351 2.28531 -1.0874 -0.07558 0 -2.4282 LEU_26 -9.97165 1.47584 1.04539 -0.52265 0.32948 0.14068 2.03343 -2.20504 -0.01461 -0.10755 -1.60832 0.09613 0 0 0 0 0 0 0.38686 0.66036 1.06526 0 -0.27771 0 0.18072 0.0068 0 -7.28656 THR_27 -4.22005 0.46702 1.96632 -0.11257 0.06534 0.06298 0.80887 -1.39695 -0.00723 -0.09908 0.67714 -1.26718 0 0 0 0 0 0 0.08634 0.08651 0.21344 0 -0.63102 2.32517 -1.0874 -0.04038 0 -2.10275 ASN_28 -5.81898 0.68053 5.81716 -0.35883 0.16657 0.71896 2.99069 -2.85673 -0.01146 -0.1232 -2.37097 -0.5382 0 0 0 -0.57912 0 0 0.89517 0.02125 0 1.67783 -0.02282 0 -0.93687 -0.04745 0 -0.69648 GLU_29 -3.91155 0.26982 3.8751 -0.46575 0.2847 1.46822 1.83021 -1.91004 -0.02768 -0.14099 -2.59945 -2.96316 0 0 0 0 0 0 -0.04856 0.04719 0 4.01067 -0.27597 0 -2.7348 -0.20324 0 -3.49528 GLU_30 -3.78002 0.15788 4.49826 -0.21528 0.02863 0.29797 1.69719 -1.99073 -0.02768 -0.14099 -1.16494 -0.59259 0 0 0 0 0 0 0.01486 0.01321 0 3.01549 -0.25489 0 -2.7348 -0.41938 0 -1.5978 LEU_31 -7.62448 0.80084 5.01263 -0.48741 0.30497 0.11637 3.52152 -2.99957 -0 -0 -1.72213 0.20499 0 0 0 -0.57912 0 0 0.02096 0.53293 0.45418 0 -0.24939 0 0.18072 -0.17535 0 -2.68735 PHE_32 -12.0654 2.27354 4.36498 -0.5729 0.03937 0.22932 2.93798 -3.68127 -0.01142 -0.12281 -2.12905 -0.02782 0 0 0 0 0 0 -0.03613 0.24842 0 2.62111 0.0267 0 1.0402 -0.00266 0 -4.86782 THR_33 -5.18121 0.23505 5.63667 -0.20312 0.14925 0.07355 2.51789 -2.65934 -4e-05 -0.00039 -3.14464 -0.1166 0 0 0 0 0 0 0.00085 0.00049 0.06082 0 -0.02715 2.28705 -1.0874 0.35207 0 -1.10621 LYS_34 -4.98047 0.23907 5.65231 -0.30719 0.02974 0.14014 2.29286 -2.48115 -0 -0 -2.05901 -0.0248 0 0 0 0 0 0 -0.02261 0.0253 1.78334 0 -0.0376 0 -1.5107 0.23805 0 -1.02272 PHE_35 -9.00952 1.3692 2.61693 -0.90726 0.05028 0.30397 2.421 -2.48825 -0 -0 -2.09532 -0.00695 0 0 0 0 0 0 0.07226 0.0098 0 1.76232 -0.41772 0 1.0402 0.14141 0 -5.13767 LEU_36 -7.74028 0.9687 4.13544 -0.50059 0.42797 0.11683 2.48477 -2.70628 -0 -0 -1.34598 0.25677 0 0 0 0 0 0 -0.04687 0.15389 0.36364 0 -0.2746 0 0.18072 0.28598 0 -3.2399 ARG_37 -5.12846 0.32294 5.5938 -0.43848 0.05217 0.21478 2.20483 -2.59622 -0.00931 -0.11544 -1.45661 0.37594 0 0 0 0 0 0 -0.02894 0.02918 2.08579 0 0.00355 0 -1.2888 0.17739 0 -0.00186 LYS_38 -5.2014 0.3161 6.10495 -0.30461 0.02662 0.13505 2.49258 -2.62668 -0.01649 -0.15192 -2.20378 -0.03578 0 0 0 0 0 0 -0.04444 0.09777 1.77109 0 -0.04413 0 -1.5107 -0.00889 0 -1.20466 LEU_39 -7.78763 1.26832 3.7683 -0.70983 0.40805 0.26869 2.46793 -2.6153 -0 -0 -1.91574 0.17683 0 0 0 0 0 0 -0.01242 0.05131 0.8031 0 -0.19592 0 0.18072 0.15081 0 -3.69279 GLU_40 -4.64248 0.24579 4.75456 -0.21343 0.02335 0.28687 1.66121 -2.30091 -0.00931 -0.11544 -0.91405 -0.5562 0 0 0 0 0 0 -0.03642 0.12874 0 3.05111 -0.26888 0 -2.7348 0.13067 0 -1.50961 GLU_41 -3.22436 0.21722 4.11956 -0.21447 0.02701 0.29785 1.34387 -1.82798 -0.01649 -0.15192 -0.20994 -0.59061 0 0 0 0 0 0 -0.03076 0.04368 0 3.01651 -0.25817 0 -2.7348 -0.40892 0 -0.60272 LYS_42 -3.00014 0.19666 3.51076 -0.30252 0.02677 0.13283 1.57428 -1.50686 -0 -0 -0.94894 -0.02426 0 0 0 0 0 0 0.05873 0.07018 1.81277 0 -0.0005 0 -1.5107 -0.19987 0 -0.11081 GLY:CtermProteinFull_43 -1.91972 0.1387 2.50726 -0.00027 0 0 0.86687 -1.20102 -0 -0 -0.85711 0.26308 0 0 0 0 0 0 0 0 0 0 0 0 0.83697 0.00412 0 0.63887 #END_POSE_ENERGIES_TABLE start17_0074_0002.pdb score_per_res -2.17344 total_score -93.458
HEEH_KT_rd6_2135.pdb
ATOM 1 N THR A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA THR A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C THR A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O THR A 1 1.831 2.165 -0.963 1.00 0.00 O ATOM 5 CB THR A 1 2.012 -0.770 -1.213 1.00 0.00 C ATOM 6 OG1 THR A 1 1.546 -2.125 -1.176 1.00 0.00 O ATOM 7 CG2 THR A 1 3.533 -0.760 -1.201 1.00 0.00 C ATOM 8 1H THR A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 9 2H THR A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 10 3H THR A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 11 HA THR A 1 1.804 -0.509 0.900 1.00 0.00 H ATOM 12 HB THR A 1 1.659 -0.304 -2.132 1.00 0.00 H ATOM 13 HG1 THR A 1 1.676 -2.531 -2.036 1.00 0.00 H ATOM 14 1HG2 THR A 1 3.907 -1.308 -2.066 1.00 0.00 H ATOM 15 2HG2 THR A 1 3.891 0.269 -1.241 1.00 0.00 H ATOM 16 3HG2 THR A 1 3.893 -1.234 -0.289 1.00 0.00 H ATOM 17 N LEU A 2 2.678 1.789 1.087 1.00 0.00 N ATOM 18 CA LEU A 2 3.181 3.148 1.251 1.00 0.00 C ATOM 19 C LEU A 2 4.387 3.402 0.356 1.00 0.00 C ATOM 20 O LEU A 2 4.561 4.501 -0.169 1.00 0.00 O ATOM 21 CB LEU A 2 3.562 3.398 2.716 1.00 0.00 C ATOM 22 CG LEU A 2 4.014 4.825 3.051 1.00 0.00 C ATOM 23 CD1 LEU A 2 2.887 5.801 2.742 1.00 0.00 C ATOM 24 CD2 LEU A 2 4.416 4.900 4.517 1.00 0.00 C ATOM 25 H LEU A 2 2.843 1.112 1.817 1.00 0.00 H ATOM 26 HA LEU A 2 2.389 3.846 0.977 1.00 0.00 H ATOM 27 1HB LEU A 2 2.702 3.168 3.343 1.00 0.00 H ATOM 28 2HB LEU A 2 4.374 2.722 2.984 1.00 0.00 H ATOM 29 HG LEU A 2 4.867 5.093 2.427 1.00 0.00 H ATOM 30 1HD1 LEU A 2 3.209 6.816 2.981 1.00 0.00 H ATOM 31 2HD1 LEU A 2 2.633 5.741 1.684 1.00 0.00 H ATOM 32 3HD1 LEU A 2 2.013 5.548 3.341 1.00 0.00 H ATOM 33 1HD2 LEU A 2 4.739 5.914 4.755 1.00 0.00 H ATOM 34 2HD2 LEU A 2 3.564 4.634 5.142 1.00 0.00 H ATOM 35 3HD2 LEU A 2 5.235 4.205 4.705 1.00 0.00 H ATOM 36 N GLU A 3 5.218 2.379 0.187 1.00 0.00 N ATOM 37 CA GLU A 3 6.462 2.517 -0.560 1.00 0.00 C ATOM 38 C GLU A 3 6.194 2.923 -2.004 1.00 0.00 C ATOM 39 O GLU A 3 6.917 3.741 -2.573 1.00 0.00 O ATOM 40 CB GLU A 3 7.252 1.207 -0.525 1.00 0.00 C ATOM 41 CG GLU A 3 7.862 0.877 0.830 1.00 0.00 C ATOM 42 CD GLU A 3 6.871 0.272 1.785 1.00 0.00 C ATOM 43 OE1 GLU A 3 5.799 -0.081 1.355 1.00 0.00 O ATOM 44 OE2 GLU A 3 7.187 0.163 2.947 1.00 0.00 O ATOM 45 H GLU A 3 4.981 1.482 0.586 1.00 0.00 H ATOM 46 HA GLU A 3 7.066 3.291 -0.086 1.00 0.00 H ATOM 47 1HB GLU A 3 6.600 0.381 -0.809 1.00 0.00 H ATOM 48 2HB GLU A 3 8.061 1.252 -1.254 1.00 0.00 H ATOM 49 1HG GLU A 3 8.684 0.176 0.685 1.00 0.00 H ATOM 50 2HG GLU A 3 8.270 1.788 1.265 1.00 0.00 H ATOM 51 N GLU A 4 5.152 2.346 -2.591 1.00 0.00 N ATOM 52 CA GLU A 4 4.766 2.672 -3.959 1.00 0.00 C ATOM 53 C GLU A 4 4.204 4.085 -4.051 1.00 0.00 C ATOM 54 O GLU A 4 4.481 4.814 -5.004 1.00 0.00 O ATOM 55 CB GLU A 4 3.735 1.667 -4.477 1.00 0.00 C ATOM 56 CG GLU A 4 4.290 0.274 -4.739 1.00 0.00 C ATOM 57 CD GLU A 4 3.231 -0.710 -5.150 1.00 0.00 C ATOM 58 OE1 GLU A 4 2.073 -0.380 -5.061 1.00 0.00 O ATOM 59 OE2 GLU A 4 3.581 -1.794 -5.555 1.00 0.00 O ATOM 60 H GLU A 4 4.612 1.664 -2.077 1.00 0.00 H ATOM 61 HA GLU A 4 5.651 2.606 -4.594 1.00 0.00 H ATOM 62 1HB GLU A 4 2.924 1.573 -3.754 1.00 0.00 H ATOM 63 2HB GLU A 4 3.303 2.035 -5.407 1.00 0.00 H ATOM 64 1HG GLU A 4 5.039 0.336 -5.528 1.00 0.00 H ATOM 65 2HG GLU A 4 4.783 -0.085 -3.836 1.00 0.00 H ATOM 66 N TRP A 5 3.412 4.467 -3.055 1.00 0.00 N ATOM 67 CA TRP A 5 2.868 5.818 -2.984 1.00 0.00 C ATOM 68 C TRP A 5 3.980 6.853 -2.864 1.00 0.00 C ATOM 69 O TRP A 5 3.971 7.870 -3.559 1.00 0.00 O ATOM 70 CB TRP A 5 1.915 5.947 -1.794 1.00 0.00 C ATOM 71 CG TRP A 5 1.385 7.335 -1.600 1.00 0.00 C ATOM 72 CD1 TRP A 5 0.397 7.939 -2.320 1.00 0.00 C ATOM 73 CD2 TRP A 5 1.814 8.306 -0.615 1.00 0.00 C ATOM 74 NE1 TRP A 5 0.183 9.212 -1.854 1.00 0.00 N ATOM 75 CE2 TRP A 5 1.040 9.454 -0.810 1.00 0.00 C ATOM 76 CE3 TRP A 5 2.777 8.293 0.401 1.00 0.00 C ATOM 77 CZ2 TRP A 5 1.198 10.586 -0.027 1.00 0.00 C ATOM 78 CZ3 TRP A 5 2.934 9.429 1.188 1.00 0.00 C ATOM 79 CH2 TRP A 5 2.164 10.545 0.979 1.00 0.00 C ATOM 80 H TRP A 5 3.181 3.804 -2.329 1.00 0.00 H ATOM 81 HA TRP A 5 2.305 6.013 -3.897 1.00 0.00 H ATOM 82 1HB TRP A 5 1.070 5.273 -1.931 1.00 0.00 H ATOM 83 2HB TRP A 5 2.430 5.646 -0.882 1.00 0.00 H ATOM 84 HD1 TRP A 5 -0.143 7.477 -3.144 1.00 0.00 H ATOM 85 HE1 TRP A 5 -0.494 9.866 -2.219 1.00 0.00 H ATOM 86 HE3 TRP A 5 3.390 7.409 0.573 1.00 0.00 H ATOM 87 HZ2 TRP A 5 0.596 11.483 -0.177 1.00 0.00 H ATOM 88 HZ3 TRP A 5 3.687 9.411 1.976 1.00 0.00 H ATOM 89 HH2 TRP A 5 2.313 11.418 1.614 1.00 0.00 H ATOM 90 N LEU A 6 4.936 6.589 -1.981 1.00 0.00 N ATOM 91 CA LEU A 6 6.020 7.528 -1.721 1.00 0.00 C ATOM 92 C LEU A 6 6.804 7.830 -2.991 1.00 0.00 C ATOM 93 O LEU A 6 7.249 8.959 -3.203 1.00 0.00 O ATOM 94 CB LEU A 6 6.965 6.963 -0.652 1.00 0.00 C ATOM 95 CG LEU A 6 6.409 6.933 0.777 1.00 0.00 C ATOM 96 CD1 LEU A 6 7.332 6.108 1.664 1.00 0.00 C ATOM 97 CD2 LEU A 6 6.275 8.355 1.301 1.00 0.00 C ATOM 98 H LEU A 6 4.912 5.714 -1.477 1.00 0.00 H ATOM 99 HA LEU A 6 5.590 8.458 -1.346 1.00 0.00 H ATOM 100 1HB LEU A 6 7.230 5.944 -0.926 1.00 0.00 H ATOM 101 2HB LEU A 6 7.875 7.563 -0.641 1.00 0.00 H ATOM 102 HG LEU A 6 5.430 6.452 0.777 1.00 0.00 H ATOM 103 1HD1 LEU A 6 6.937 6.086 2.680 1.00 0.00 H ATOM 104 2HD1 LEU A 6 7.395 5.091 1.278 1.00 0.00 H ATOM 105 3HD1 LEU A 6 8.325 6.556 1.671 1.00 0.00 H ATOM 106 1HD2 LEU A 6 5.879 8.333 2.317 1.00 0.00 H ATOM 107 2HD2 LEU A 6 7.253 8.836 1.303 1.00 0.00 H ATOM 108 3HD2 LEU A 6 5.596 8.916 0.659 1.00 0.00 H ATOM 109 N LEU A 7 6.968 6.817 -3.835 1.00 0.00 N ATOM 110 CA LEU A 7 7.594 6.999 -5.139 1.00 0.00 C ATOM 111 C LEU A 7 6.729 7.863 -6.048 1.00 0.00 C ATOM 112 O LEU A 7 7.240 8.677 -6.818 1.00 0.00 O ATOM 113 CB LEU A 7 7.843 5.639 -5.802 1.00 0.00 C ATOM 114 CG LEU A 7 8.916 4.764 -5.141 1.00 0.00 C ATOM 115 CD1 LEU A 7 8.908 3.381 -5.779 1.00 0.00 C ATOM 116 CD2 LEU A 7 10.276 5.428 -5.290 1.00 0.00 C ATOM 117 H LEU A 7 6.652 5.896 -3.565 1.00 0.00 H ATOM 118 HA LEU A 7 8.554 7.495 -4.997 1.00 0.00 H ATOM 119 1HB LEU A 7 6.911 5.076 -5.802 1.00 0.00 H ATOM 120 2HB LEU A 7 8.144 5.806 -6.836 1.00 0.00 H ATOM 121 HG LEU A 7 8.685 4.643 -4.082 1.00 0.00 H ATOM 122 1HD1 LEU A 7 9.670 2.759 -5.309 1.00 0.00 H ATOM 123 2HD1 LEU A 7 7.930 2.922 -5.641 1.00 0.00 H ATOM 124 3HD1 LEU A 7 9.120 3.471 -6.844 1.00 0.00 H ATOM 125 1HD2 LEU A 7 11.039 4.806 -4.819 1.00 0.00 H ATOM 126 2HD2 LEU A 7 10.509 5.547 -6.348 1.00 0.00 H ATOM 127 3HD2 LEU A 7 10.259 6.406 -4.809 1.00 0.00 H ATOM 128 N ARG A 8 5.415 7.682 -5.954 1.00 0.00 N ATOM 129 CA ARG A 8 4.480 8.397 -6.815 1.00 0.00 C ATOM 130 C ARG A 8 4.523 9.896 -6.549 1.00 0.00 C ATOM 131 O ARG A 8 4.502 10.702 -7.478 1.00 0.00 O ATOM 132 CB ARG A 8 3.062 7.887 -6.605 1.00 0.00 C ATOM 133 CG ARG A 8 2.025 8.471 -7.552 1.00 0.00 C ATOM 134 CD ARG A 8 1.377 9.679 -6.980 1.00 0.00 C ATOM 135 NE ARG A 8 0.387 10.242 -7.883 1.00 0.00 N ATOM 136 CZ ARG A 8 0.676 10.995 -8.962 1.00 0.00 C ATOM 137 NH1 ARG A 8 1.928 11.266 -9.258 1.00 0.00 N ATOM 138 NH2 ARG A 8 -0.299 11.461 -9.723 1.00 0.00 N ATOM 139 H ARG A 8 5.056 7.032 -5.271 1.00 0.00 H ATOM 140 HA ARG A 8 4.759 8.218 -7.854 1.00 0.00 H ATOM 141 1HB ARG A 8 3.043 6.805 -6.722 1.00 0.00 H ATOM 142 2HB ARG A 8 2.742 8.111 -5.587 1.00 0.00 H ATOM 143 1HG ARG A 8 2.506 8.751 -8.489 1.00 0.00 H ATOM 144 2HG ARG A 8 1.252 7.727 -7.748 1.00 0.00 H ATOM 145 1HD ARG A 8 0.878 9.417 -6.047 1.00 0.00 H ATOM 146 2HD ARG A 8 2.133 10.439 -6.786 1.00 0.00 H ATOM 147 HE ARG A 8 -0.588 10.055 -7.688 1.00 0.00 H ATOM 148 1HH1 ARG A 8 2.673 10.910 -8.677 1.00 0.00 H ATOM 149 2HH1 ARG A 8 2.144 11.831 -10.067 1.00 0.00 H ATOM 150 1HH2 ARG A 8 -1.262 11.253 -9.495 1.00 0.00 H ATOM 151 2HH2 ARG A 8 -0.083 12.026 -10.531 1.00 0.00 H ATOM 152 N VAL A 9 4.581 10.264 -5.273 1.00 0.00 N ATOM 153 CA VAL A 9 4.561 11.667 -4.879 1.00 0.00 C ATOM 154 C VAL A 9 5.881 12.352 -5.214 1.00 0.00 C ATOM 155 O VAL A 9 5.919 13.554 -5.474 1.00 0.00 O ATOM 156 CB VAL A 9 4.288 11.794 -3.369 1.00 0.00 C ATOM 157 CG1 VAL A 9 2.853 11.401 -3.052 1.00 0.00 C ATOM 158 CG2 VAL A 9 5.269 10.930 -2.591 1.00 0.00 C ATOM 159 H VAL A 9 4.641 9.553 -4.558 1.00 0.00 H ATOM 160 HA VAL A 9 3.760 12.169 -5.423 1.00 0.00 H ATOM 161 HB VAL A 9 4.408 12.837 -3.074 1.00 0.00 H ATOM 162 1HG1 VAL A 9 2.678 11.497 -1.980 1.00 0.00 H ATOM 163 2HG1 VAL A 9 2.169 12.056 -3.592 1.00 0.00 H ATOM 164 3HG1 VAL A 9 2.684 10.368 -3.356 1.00 0.00 H ATOM 165 1HG2 VAL A 9 5.070 11.025 -1.524 1.00 0.00 H ATOM 166 2HG2 VAL A 9 5.152 9.888 -2.891 1.00 0.00 H ATOM 167 3HG2 VAL A 9 6.288 11.256 -2.801 1.00 0.00 H ATOM 168 N ILE A 10 6.961 11.578 -5.204 1.00 0.00 N ATOM 169 CA ILE A 10 8.256 12.066 -5.666 1.00 0.00 C ATOM 170 C ILE A 10 8.220 12.403 -7.151 1.00 0.00 C ATOM 171 O ILE A 10 8.749 13.429 -7.577 1.00 0.00 O ATOM 172 CB ILE A 10 9.361 11.026 -5.402 1.00 0.00 C ATOM 173 CG1 ILE A 10 9.625 10.897 -3.899 1.00 0.00 C ATOM 174 CG2 ILE A 10 10.636 11.405 -6.139 1.00 0.00 C ATOM 175 CD1 ILE A 10 10.445 9.684 -3.525 1.00 0.00 C ATOM 176 H ILE A 10 6.884 10.629 -4.870 1.00 0.00 H ATOM 177 HA ILE A 10 8.504 12.970 -5.109 1.00 0.00 H ATOM 178 HB ILE A 10 9.029 10.047 -5.748 1.00 0.00 H ATOM 179 1HG1 ILE A 10 10.147 11.785 -3.545 1.00 0.00 H ATOM 180 2HG1 ILE A 10 8.675 10.843 -3.366 1.00 0.00 H ATOM 181 1HG2 ILE A 10 11.406 10.660 -5.941 1.00 0.00 H ATOM 182 2HG2 ILE A 10 10.438 11.447 -7.209 1.00 0.00 H ATOM 183 3HG2 ILE A 10 10.978 12.382 -5.795 1.00 0.00 H ATOM 184 1HD1 ILE A 10 10.590 9.662 -2.445 1.00 0.00 H ATOM 185 2HD1 ILE A 10 9.923 8.780 -3.840 1.00 0.00 H ATOM 186 3HD1 ILE A 10 11.415 9.735 -4.019 1.00 0.00 H ATOM 187 N GLU A 11 7.593 11.531 -7.935 1.00 0.00 N ATOM 188 CA GLU A 11 7.377 11.794 -9.353 1.00 0.00 C ATOM 189 C GLU A 11 6.450 12.984 -9.557 1.00 0.00 C ATOM 190 O GLU A 11 6.631 13.774 -10.485 1.00 0.00 O ATOM 191 CB GLU A 11 6.796 10.558 -10.043 1.00 0.00 C ATOM 192 CG GLU A 11 7.770 9.397 -10.179 1.00 0.00 C ATOM 193 CD GLU A 11 7.172 8.210 -10.881 1.00 0.00 C ATOM 194 OE1 GLU A 11 5.995 8.235 -11.151 1.00 0.00 O ATOM 195 OE2 GLU A 11 7.893 7.278 -11.149 1.00 0.00 O ATOM 196 H GLU A 11 7.258 10.665 -7.539 1.00 0.00 H ATOM 197 HA GLU A 11 8.341 12.018 -9.814 1.00 0.00 H ATOM 198 1HB GLU A 11 5.929 10.204 -9.485 1.00 0.00 H ATOM 199 2HB GLU A 11 6.454 10.826 -11.043 1.00 0.00 H ATOM 200 1HG GLU A 11 8.644 9.733 -10.737 1.00 0.00 H ATOM 201 2HG GLU A 11 8.101 9.097 -9.185 1.00 0.00 H ATOM 202 N ALA A 12 5.454 13.109 -8.686 1.00 0.00 N ATOM 203 CA ALA A 12 4.480 14.189 -8.786 1.00 0.00 C ATOM 204 C ALA A 12 5.161 15.550 -8.767 1.00 0.00 C ATOM 205 O ALA A 12 4.921 16.389 -9.637 1.00 0.00 O ATOM 206 CB ALA A 12 3.463 14.092 -7.658 1.00 0.00 C ATOM 207 H ALA A 12 5.372 12.440 -7.934 1.00 0.00 H ATOM 208 HA ALA A 12 3.939 14.081 -9.727 1.00 0.00 H ATOM 209 1HB ALA A 12 2.742 14.905 -7.746 1.00 0.00 H ATOM 210 2HB ALA A 12 2.941 13.137 -7.720 1.00 0.00 H ATOM 211 3HB ALA A 12 3.975 14.164 -6.700 1.00 0.00 H ATOM 212 N VAL A 13 6.014 15.766 -7.771 1.00 0.00 N ATOM 213 CA VAL A 13 6.646 17.065 -7.571 1.00 0.00 C ATOM 214 C VAL A 13 7.675 17.350 -8.658 1.00 0.00 C ATOM 215 O VAL A 13 7.905 18.503 -9.021 1.00 0.00 O ATOM 216 CB VAL A 13 7.331 17.119 -6.193 1.00 0.00 C ATOM 217 CG1 VAL A 13 6.304 16.958 -5.081 1.00 0.00 C ATOM 218 CG2 VAL A 13 8.398 16.039 -6.102 1.00 0.00 C ATOM 219 H VAL A 13 6.230 15.011 -7.136 1.00 0.00 H ATOM 220 HA VAL A 13 5.875 17.835 -7.610 1.00 0.00 H ATOM 221 HB VAL A 13 7.792 18.098 -6.064 1.00 0.00 H ATOM 222 1HG1 VAL A 13 6.805 16.999 -4.114 1.00 0.00 H ATOM 223 2HG1 VAL A 13 5.571 17.762 -5.144 1.00 0.00 H ATOM 224 3HG1 VAL A 13 5.801 15.997 -5.188 1.00 0.00 H ATOM 225 1HG2 VAL A 13 8.878 16.084 -5.125 1.00 0.00 H ATOM 226 2HG2 VAL A 13 7.938 15.060 -6.236 1.00 0.00 H ATOM 227 3HG2 VAL A 13 9.144 16.199 -6.880 1.00 0.00 H ATOM 228 N ARG A 14 8.292 16.292 -9.173 1.00 0.00 N ATOM 229 CA ARG A 14 9.226 16.415 -10.286 1.00 0.00 C ATOM 230 C ARG A 14 8.518 16.895 -11.547 1.00 0.00 C ATOM 231 O ARG A 14 9.042 17.728 -12.286 1.00 0.00 O ATOM 232 CB ARG A 14 9.906 15.083 -10.566 1.00 0.00 C ATOM 233 CG ARG A 14 10.903 15.102 -11.713 1.00 0.00 C ATOM 234 CD ARG A 14 12.083 15.948 -11.402 1.00 0.00 C ATOM 235 NE ARG A 14 13.007 16.024 -12.522 1.00 0.00 N ATOM 236 CZ ARG A 14 12.910 16.907 -13.535 1.00 0.00 C ATOM 237 NH1 ARG A 14 11.927 17.779 -13.555 1.00 0.00 N ATOM 238 NH2 ARG A 14 13.803 16.895 -14.510 1.00 0.00 N ATOM 239 H ARG A 14 8.109 15.378 -8.784 1.00 0.00 H ATOM 240 HA ARG A 14 9.991 17.144 -10.017 1.00 0.00 H ATOM 241 1HB ARG A 14 10.436 14.752 -9.674 1.00 0.00 H ATOM 242 2HB ARG A 14 9.152 14.331 -10.796 1.00 0.00 H ATOM 243 1HG ARG A 14 11.251 14.088 -11.910 1.00 0.00 H ATOM 244 2HG ARG A 14 10.422 15.501 -12.607 1.00 0.00 H ATOM 245 1HD ARG A 14 11.753 16.959 -11.163 1.00 0.00 H ATOM 246 2HD ARG A 14 12.616 15.529 -10.549 1.00 0.00 H ATOM 247 HE ARG A 14 13.777 15.369 -12.542 1.00 0.00 H ATOM 248 1HH1 ARG A 14 11.244 17.788 -12.810 1.00 0.00 H ATOM 249 2HH1 ARG A 14 11.853 18.440 -14.314 1.00 0.00 H ATOM 250 1HH2 ARG A 14 14.559 16.224 -14.495 1.00 0.00 H ATOM 251 2HH2 ARG A 14 13.730 17.556 -15.269 1.00 0.00 H ATOM 252 N LYS A 15 7.324 16.364 -11.789 1.00 0.00 N ATOM 253 CA LYS A 15 6.541 16.738 -12.960 1.00 0.00 C ATOM 254 C LYS A 15 5.863 18.088 -12.759 1.00 0.00 C ATOM 255 O LYS A 15 5.716 18.866 -13.702 1.00 0.00 O ATOM 256 CB LYS A 15 5.496 15.665 -13.271 1.00 0.00 C ATOM 257 CG LYS A 15 6.076 14.354 -13.786 1.00 0.00 C ATOM 258 CD LYS A 15 4.981 13.330 -14.044 1.00 0.00 C ATOM 259 CE LYS A 15 5.558 12.018 -14.555 1.00 0.00 C ATOM 260 NZ LYS A 15 4.496 11.011 -14.827 1.00 0.00 N ATOM 261 H LYS A 15 6.950 15.681 -11.145 1.00 0.00 H ATOM 262 HA LYS A 15 7.211 16.808 -13.817 1.00 0.00 H ATOM 263 1HB LYS A 15 4.921 15.446 -12.371 1.00 0.00 H ATOM 264 2HB LYS A 15 4.801 16.041 -14.021 1.00 0.00 H ATOM 265 1HG LYS A 15 6.618 14.536 -14.715 1.00 0.00 H ATOM 266 2HG LYS A 15 6.773 13.951 -13.052 1.00 0.00 H ATOM 267 1HD LYS A 15 4.433 13.141 -13.119 1.00 0.00 H ATOM 268 2HD LYS A 15 4.283 13.721 -14.785 1.00 0.00 H ATOM 269 1HE LYS A 15 6.114 12.199 -15.473 1.00 0.00 H ATOM 270 2HE LYS A 15 6.246 11.610 -13.814 1.00 0.00 H ATOM 271 1HZ LYS A 15 4.920 10.158 -15.163 1.00 0.00 H ATOM 272 2HZ LYS A 15 3.985 10.822 -13.976 1.00 0.00 H ATOM 273 3HZ LYS A 15 3.863 11.370 -15.527 1.00 0.00 H ATOM 274 N GLY A 16 5.452 18.360 -11.525 1.00 0.00 N ATOM 275 CA GLY A 16 4.746 19.595 -11.208 1.00 0.00 C ATOM 276 C GLY A 16 3.250 19.351 -11.053 1.00 0.00 C ATOM 277 O GLY A 16 2.436 20.238 -11.314 1.00 0.00 O ATOM 278 H GLY A 16 5.632 17.694 -10.788 1.00 0.00 H ATOM 279 1HA GLY A 16 5.146 20.018 -10.286 1.00 0.00 H ATOM 280 2HA GLY A 16 4.918 20.326 -11.997 1.00 0.00 H ATOM 281 N LYS A 17 2.893 18.144 -10.628 1.00 0.00 N ATOM 282 CA LYS A 17 1.493 17.778 -10.447 1.00 0.00 C ATOM 283 C LYS A 17 1.090 17.852 -8.980 1.00 0.00 C ATOM 284 O LYS A 17 1.934 17.751 -8.089 1.00 0.00 O ATOM 285 CB LYS A 17 1.231 16.374 -10.994 1.00 0.00 C ATOM 286 CG LYS A 17 1.657 16.173 -12.443 1.00 0.00 C ATOM 287 CD LYS A 17 0.867 17.073 -13.381 1.00 0.00 C ATOM 288 CE LYS A 17 1.228 16.811 -14.835 1.00 0.00 C ATOM 289 NZ LYS A 17 0.490 17.710 -15.763 1.00 0.00 N ATOM 290 H LYS A 17 3.610 17.461 -10.427 1.00 0.00 H ATOM 291 HA LYS A 17 0.877 18.475 -11.015 1.00 0.00 H ATOM 292 1HB LYS A 17 1.761 15.641 -10.385 1.00 0.00 H ATOM 293 2HB LYS A 17 0.166 16.149 -10.925 1.00 0.00 H ATOM 294 1HG LYS A 17 2.719 16.399 -12.544 1.00 0.00 H ATOM 295 2HG LYS A 17 1.496 15.134 -12.729 1.00 0.00 H ATOM 296 1HD LYS A 17 -0.200 16.897 -13.242 1.00 0.00 H ATOM 297 2HD LYS A 17 1.079 18.117 -13.147 1.00 0.00 H ATOM 298 1HE LYS A 17 2.297 16.961 -14.978 1.00 0.00 H ATOM 299 2HE LYS A 17 0.992 15.777 -15.088 1.00 0.00 H ATOM 300 1HZ LYS A 17 0.756 17.504 -16.716 1.00 0.00 H ATOM 301 2HZ LYS A 17 -0.504 17.566 -15.653 1.00 0.00 H ATOM 302 3HZ LYS A 17 0.715 18.672 -15.551 1.00 0.00 H ATOM 303 N THR A 18 -0.203 18.028 -8.736 1.00 0.00 N ATOM 304 CA THR A 18 -0.733 18.023 -7.378 1.00 0.00 C ATOM 305 C THR A 18 -1.464 16.722 -7.076 1.00 0.00 C ATOM 306 O THR A 18 -2.375 16.326 -7.804 1.00 0.00 O ATOM 307 CB THR A 18 -1.682 19.214 -7.149 1.00 0.00 C ATOM 308 OG1 THR A 18 -0.971 20.442 -7.356 1.00 0.00 O ATOM 309 CG2 THR A 18 -2.240 19.188 -5.735 1.00 0.00 C ATOM 310 H THR A 18 -0.836 18.169 -9.510 1.00 0.00 H ATOM 311 HA THR A 18 0.099 18.127 -6.680 1.00 0.00 H ATOM 312 HB THR A 18 -2.507 19.164 -7.860 1.00 0.00 H ATOM 313 HG1 THR A 18 -0.752 20.531 -8.287 1.00 0.00 H ATOM 314 1HG2 THR A 18 -2.909 20.037 -5.591 1.00 0.00 H ATOM 315 2HG2 THR A 18 -2.791 18.261 -5.578 1.00 0.00 H ATOM 316 3HG2 THR A 18 -1.421 19.248 -5.020 1.00 0.00 H ATOM 317 N VAL A 19 -1.061 16.058 -5.998 1.00 0.00 N ATOM 318 CA VAL A 19 -1.698 14.815 -5.580 1.00 0.00 C ATOM 319 C VAL A 19 -2.039 14.843 -4.095 1.00 0.00 C ATOM 320 O VAL A 19 -1.285 15.382 -3.285 1.00 0.00 O ATOM 321 CB VAL A 19 -0.774 13.617 -5.869 1.00 0.00 C ATOM 322 CG1 VAL A 19 0.553 13.781 -5.143 1.00 0.00 C ATOM 323 CG2 VAL A 19 -1.459 12.323 -5.456 1.00 0.00 C ATOM 324 H VAL A 19 -0.293 16.424 -5.454 1.00 0.00 H ATOM 325 HA VAL A 19 -2.621 14.691 -6.148 1.00 0.00 H ATOM 326 HB VAL A 19 -0.555 13.588 -6.937 1.00 0.00 H ATOM 327 1HG1 VAL A 19 1.194 12.925 -5.359 1.00 0.00 H ATOM 328 2HG1 VAL A 19 1.042 14.694 -5.481 1.00 0.00 H ATOM 329 3HG1 VAL A 19 0.376 13.838 -4.070 1.00 0.00 H ATOM 330 1HG2 VAL A 19 -0.800 11.480 -5.663 1.00 0.00 H ATOM 331 2HG2 VAL A 19 -1.683 12.355 -4.389 1.00 0.00 H ATOM 332 3HG2 VAL A 19 -2.385 12.206 -6.018 1.00 0.00 H ATOM 333 N THR A 20 -3.179 14.258 -3.744 1.00 0.00 N ATOM 334 CA THR A 20 -3.605 14.185 -2.352 1.00 0.00 C ATOM 335 C THR A 20 -3.762 12.739 -1.899 1.00 0.00 C ATOM 336 O THR A 20 -4.141 11.870 -2.684 1.00 0.00 O ATOM 337 CB THR A 20 -4.928 14.942 -2.137 1.00 0.00 C ATOM 338 OG1 THR A 20 -5.954 14.358 -2.951 1.00 0.00 O ATOM 339 CG2 THR A 20 -4.770 16.409 -2.504 1.00 0.00 C ATOM 340 H THR A 20 -3.765 13.854 -4.460 1.00 0.00 H ATOM 341 HA THR A 20 -2.846 14.665 -1.732 1.00 0.00 H ATOM 342 HB THR A 20 -5.226 14.865 -1.091 1.00 0.00 H ATOM 343 HG1 THR A 20 -6.219 13.515 -2.574 1.00 0.00 H ATOM 344 1HG2 THR A 20 -5.715 16.928 -2.345 1.00 0.00 H ATOM 345 2HG2 THR A 20 -3.999 16.859 -1.878 1.00 0.00 H ATOM 346 3HG2 THR A 20 -4.481 16.493 -3.551 1.00 0.00 H ATOM 347 N TRP A 21 -3.468 12.487 -0.628 1.00 0.00 N ATOM 348 CA TRP A 21 -3.568 11.144 -0.069 1.00 0.00 C ATOM 349 C TRP A 21 -3.383 11.161 1.443 1.00 0.00 C ATOM 350 O TRP A 21 -2.497 11.838 1.961 1.00 0.00 O ATOM 351 CB TRP A 21 -2.524 10.223 -0.704 1.00 0.00 C ATOM 352 CG TRP A 21 -2.548 8.827 -0.159 1.00 0.00 C ATOM 353 CD1 TRP A 21 -3.293 7.784 -0.621 1.00 0.00 C ATOM 354 CD2 TRP A 21 -1.786 8.311 0.959 1.00 0.00 C ATOM 355 NE1 TRP A 21 -3.051 6.661 0.130 1.00 0.00 N ATOM 356 CE2 TRP A 21 -2.130 6.964 1.100 1.00 0.00 C ATOM 357 CE3 TRP A 21 -0.853 8.876 1.838 1.00 0.00 C ATOM 358 CZ2 TRP A 21 -1.577 6.165 2.088 1.00 0.00 C ATOM 359 CZ3 TRP A 21 -0.297 8.075 2.828 1.00 0.00 C ATOM 360 CH2 TRP A 21 -0.650 6.754 2.949 1.00 0.00 C ATOM 361 H TRP A 21 -3.166 13.246 -0.033 1.00 0.00 H ATOM 362 HA TRP A 21 -4.559 10.749 -0.296 1.00 0.00 H ATOM 363 1HB TRP A 21 -2.689 10.174 -1.781 1.00 0.00 H ATOM 364 2HB TRP A 21 -1.529 10.637 -0.544 1.00 0.00 H ATOM 365 HD1 TRP A 21 -3.981 7.835 -1.463 1.00 0.00 H ATOM 366 HE1 TRP A 21 -3.481 5.757 -0.008 1.00 0.00 H ATOM 367 HE3 TRP A 21 -0.568 9.924 1.745 1.00 0.00 H ATOM 368 HZ2 TRP A 21 -1.844 5.115 2.201 1.00 0.00 H ATOM 369 HZ3 TRP A 21 0.427 8.522 3.509 1.00 0.00 H ATOM 370 HH2 TRP A 21 -0.194 6.154 3.737 1.00 0.00 H ATOM 371 N GLY A 22 -4.227 10.412 2.145 1.00 0.00 N ATOM 372 CA GLY A 22 -4.170 10.353 3.601 1.00 0.00 C ATOM 373 C GLY A 22 -4.452 11.717 4.218 1.00 0.00 C ATOM 374 O GLY A 22 -5.538 12.271 4.052 1.00 0.00 O ATOM 375 H GLY A 22 -4.926 9.870 1.657 1.00 0.00 H ATOM 376 1HA GLY A 22 -4.897 9.627 3.965 1.00 0.00 H ATOM 377 2HA GLY A 22 -3.185 10.006 3.912 1.00 0.00 H ATOM 378 N ARG A 23 -3.469 12.253 4.932 1.00 0.00 N ATOM 379 CA ARG A 23 -3.608 13.554 5.574 1.00 0.00 C ATOM 380 C ARG A 23 -2.593 14.550 5.028 1.00 0.00 C ATOM 381 O ARG A 23 -2.313 15.572 5.654 1.00 0.00 O ATOM 382 CB ARG A 23 -3.433 13.430 7.080 1.00 0.00 C ATOM 383 CG ARG A 23 -2.048 12.991 7.528 1.00 0.00 C ATOM 384 CD ARG A 23 -1.904 13.051 9.006 1.00 0.00 C ATOM 385 NE ARG A 23 -2.868 12.196 9.680 1.00 0.00 N ATOM 386 CZ ARG A 23 -2.707 10.875 9.886 1.00 0.00 C ATOM 387 NH1 ARG A 23 -1.617 10.272 9.465 1.00 0.00 N ATOM 388 NH2 ARG A 23 -3.644 10.184 10.511 1.00 0.00 N ATOM 389 H ARG A 23 -2.600 11.745 5.033 1.00 0.00 H ATOM 390 HA ARG A 23 -4.612 13.933 5.375 1.00 0.00 H ATOM 391 1HB ARG A 23 -3.643 14.389 7.551 1.00 0.00 H ATOM 392 2HB ARG A 23 -4.150 12.709 7.472 1.00 0.00 H ATOM 393 1HG ARG A 23 -1.870 11.964 7.208 1.00 0.00 H ATOM 394 2HG ARG A 23 -1.297 13.645 7.084 1.00 0.00 H ATOM 395 1HD ARG A 23 -0.903 12.723 9.287 1.00 0.00 H ATOM 396 2HD ARG A 23 -2.059 14.074 9.345 1.00 0.00 H ATOM 397 HE ARG A 23 -3.720 12.624 10.018 1.00 0.00 H ATOM 398 1HH1 ARG A 23 -0.900 10.800 8.987 1.00 0.00 H ATOM 399 2HH1 ARG A 23 -1.496 9.282 9.619 1.00 0.00 H ATOM 400 1HH2 ARG A 23 -4.483 10.647 10.834 1.00 0.00 H ATOM 401 2HH2 ARG A 23 -3.524 9.194 10.665 1.00 0.00 H ATOM 402 N TRP A 24 -2.044 14.245 3.857 1.00 0.00 N ATOM 403 CA TRP A 24 -0.999 15.070 3.263 1.00 0.00 C ATOM 404 C TRP A 24 -1.411 15.575 1.887 1.00 0.00 C ATOM 405 O TRP A 24 -2.148 14.906 1.163 1.00 0.00 O ATOM 406 CB TRP A 24 0.305 14.278 3.149 1.00 0.00 C ATOM 407 CG TRP A 24 0.815 13.773 4.465 1.00 0.00 C ATOM 408 CD1 TRP A 24 1.622 14.441 5.337 1.00 0.00 C ATOM 409 CD2 TRP A 24 0.552 12.483 5.069 1.00 0.00 C ATOM 410 NE1 TRP A 24 1.880 13.659 6.436 1.00 0.00 N ATOM 411 CE2 TRP A 24 1.232 12.458 6.289 1.00 0.00 C ATOM 412 CE3 TRP A 24 -0.194 11.365 4.677 1.00 0.00 C ATOM 413 CZ2 TRP A 24 1.193 11.356 7.129 1.00 0.00 C ATOM 414 CZ3 TRP A 24 -0.235 10.261 5.519 1.00 0.00 C ATOM 415 CH2 TRP A 24 0.440 10.257 6.714 1.00 0.00 C ATOM 416 H TRP A 24 -2.360 13.422 3.365 1.00 0.00 H ATOM 417 HA TRP A 24 -0.824 15.928 3.912 1.00 0.00 H ATOM 418 1HB TRP A 24 0.156 13.424 2.489 1.00 0.00 H ATOM 419 2HB TRP A 24 1.075 14.907 2.702 1.00 0.00 H ATOM 420 HD1 TRP A 24 2.006 15.448 5.184 1.00 0.00 H ATOM 421 HE1 TRP A 24 2.454 13.923 7.224 1.00 0.00 H ATOM 422 HE3 TRP A 24 -0.735 11.364 3.731 1.00 0.00 H ATOM 423 HZ2 TRP A 24 1.723 11.334 8.081 1.00 0.00 H ATOM 424 HZ3 TRP A 24 -0.818 9.394 5.206 1.00 0.00 H ATOM 425 HH2 TRP A 24 0.387 9.374 7.350 1.00 0.00 H ATOM 426 N THR A 25 -0.930 16.762 1.529 1.00 0.00 N ATOM 427 CA THR A 25 -1.009 17.237 0.153 1.00 0.00 C ATOM 428 C THR A 25 0.377 17.505 -0.418 1.00 0.00 C ATOM 429 O THR A 25 1.187 18.203 0.193 1.00 0.00 O ATOM 430 CB THR A 25 -1.864 18.515 0.055 1.00 0.00 C ATOM 431 OG1 THR A 25 -3.202 18.231 0.482 1.00 0.00 O ATOM 432 CG2 THR A 25 -1.890 19.031 -1.375 1.00 0.00 C ATOM 433 H THR A 25 -0.498 17.348 2.228 1.00 0.00 H ATOM 434 HA THR A 25 -1.494 16.469 -0.451 1.00 0.00 H ATOM 435 HB THR A 25 -1.445 19.283 0.705 1.00 0.00 H ATOM 436 HG1 THR A 25 -3.216 18.117 1.436 1.00 0.00 H ATOM 437 1HG2 THR A 25 -2.498 19.934 -1.425 1.00 0.00 H ATOM 438 2HG2 THR A 25 -0.875 19.259 -1.699 1.00 0.00 H ATOM 439 3HG2 THR A 25 -2.317 18.271 -2.028 1.00 0.00 H ATOM 440 N ILE A 26 0.646 16.945 -1.593 1.00 0.00 N ATOM 441 CA ILE A 26 1.958 17.066 -2.217 1.00 0.00 C ATOM 442 C ILE A 26 1.907 17.973 -3.438 1.00 0.00 C ATOM 443 O ILE A 26 1.176 17.705 -4.393 1.00 0.00 O ATOM 444 CB ILE A 26 2.501 15.684 -2.626 1.00 0.00 C ATOM 445 CG1 ILE A 26 2.653 14.785 -1.396 1.00 0.00 C ATOM 446 CG2 ILE A 26 3.830 15.829 -3.352 1.00 0.00 C ATOM 447 CD1 ILE A 26 1.390 14.044 -1.021 1.00 0.00 C ATOM 448 H ILE A 26 -0.078 16.424 -2.067 1.00 0.00 H ATOM 449 HA ILE A 26 2.648 17.497 -1.490 1.00 0.00 H ATOM 450 HB ILE A 26 1.788 15.195 -3.288 1.00 0.00 H ATOM 451 1HG1 ILE A 26 3.438 14.052 -1.577 1.00 0.00 H ATOM 452 2HG1 ILE A 26 2.961 15.387 -0.541 1.00 0.00 H ATOM 453 1HG2 ILE A 26 4.200 14.843 -3.633 1.00 0.00 H ATOM 454 2HG2 ILE A 26 3.691 16.433 -4.247 1.00 0.00 H ATOM 455 3HG2 ILE A 26 4.552 16.313 -2.695 1.00 0.00 H ATOM 456 1HD1 ILE A 26 1.577 13.429 -0.141 1.00 0.00 H ATOM 457 2HD1 ILE A 26 0.599 14.762 -0.801 1.00 0.00 H ATOM 458 3HD1 ILE A 26 1.082 13.408 -1.850 1.00 0.00 H ATOM 459 N ARG A 27 2.686 19.049 -3.404 1.00 0.00 N ATOM 460 CA ARG A 27 2.697 20.022 -4.489 1.00 0.00 C ATOM 461 C ARG A 27 4.111 20.249 -5.012 1.00 0.00 C ATOM 462 O ARG A 27 4.318 20.429 -6.211 1.00 0.00 O ATOM 463 CB ARG A 27 2.112 21.347 -4.026 1.00 0.00 C ATOM 464 CG ARG A 27 0.641 21.298 -3.644 1.00 0.00 C ATOM 465 CD ARG A 27 0.161 22.609 -3.137 1.00 0.00 C ATOM 466 NE ARG A 27 -1.203 22.531 -2.639 1.00 0.00 N ATOM 467 CZ ARG A 27 -2.305 22.614 -3.411 1.00 0.00 C ATOM 468 NH1 ARG A 27 -2.187 22.776 -4.710 1.00 0.00 N ATOM 469 NH2 ARG A 27 -3.504 22.532 -2.862 1.00 0.00 N ATOM 470 H ARG A 27 3.286 19.196 -2.605 1.00 0.00 H ATOM 471 HA ARG A 27 2.082 19.638 -5.304 1.00 0.00 H ATOM 472 1HB ARG A 27 2.665 21.706 -3.159 1.00 0.00 H ATOM 473 2HB ARG A 27 2.223 22.090 -4.815 1.00 0.00 H ATOM 474 1HG ARG A 27 0.047 21.030 -4.518 1.00 0.00 H ATOM 475 2HG ARG A 27 0.493 20.552 -2.862 1.00 0.00 H ATOM 476 1HD ARG A 27 0.803 22.940 -2.321 1.00 0.00 H ATOM 477 2HD ARG A 27 0.189 23.342 -3.941 1.00 0.00 H ATOM 478 HE ARG A 27 -1.335 22.407 -1.644 1.00 0.00 H ATOM 479 1HH1 ARG A 27 -1.270 22.839 -5.130 1.00 0.00 H ATOM 480 2HH1 ARG A 27 -3.012 22.838 -5.288 1.00 0.00 H ATOM 481 1HH2 ARG A 27 -3.595 22.407 -1.863 1.00 0.00 H ATOM 482 2HH2 ARG A 27 -4.329 22.594 -3.439 1.00 0.00 H ATOM 483 N THR A 28 5.080 20.238 -4.102 1.00 0.00 N ATOM 484 CA THR A 28 6.469 20.500 -4.461 1.00 0.00 C ATOM 485 C THR A 28 7.426 19.774 -3.523 1.00 0.00 C ATOM 486 O THR A 28 7.000 19.106 -2.581 1.00 0.00 O ATOM 487 CB THR A 28 6.771 22.010 -4.442 1.00 0.00 C ATOM 488 OG1 THR A 28 8.065 22.248 -5.009 1.00 0.00 O ATOM 489 CG2 THR A 28 6.740 22.542 -3.017 1.00 0.00 C ATOM 490 H THR A 28 4.849 20.044 -3.139 1.00 0.00 H ATOM 491 HA THR A 28 6.637 20.143 -5.478 1.00 0.00 H ATOM 492 HB THR A 28 6.026 22.538 -5.037 1.00 0.00 H ATOM 493 HG1 THR A 28 7.989 22.311 -5.964 1.00 0.00 H ATOM 494 1HG2 THR A 28 6.955 23.610 -3.023 1.00 0.00 H ATOM 495 2HG2 THR A 28 5.753 22.373 -2.587 1.00 0.00 H ATOM 496 3HG2 THR A 28 7.490 22.025 -2.420 1.00 0.00 H ATOM 497 N GLU A 29 8.721 19.911 -3.787 1.00 0.00 N ATOM 498 CA GLU A 29 9.736 19.172 -3.045 1.00 0.00 C ATOM 499 C GLU A 29 9.887 19.713 -1.630 1.00 0.00 C ATOM 500 O GLU A 29 10.185 18.966 -0.697 1.00 0.00 O ATOM 501 CB GLU A 29 11.081 19.235 -3.772 1.00 0.00 C ATOM 502 CG GLU A 29 11.131 18.445 -5.072 1.00 0.00 C ATOM 503 CD GLU A 29 12.457 18.553 -5.771 1.00 0.00 C ATOM 504 OE1 GLU A 29 13.222 19.421 -5.424 1.00 0.00 O ATOM 505 OE2 GLU A 29 12.706 17.766 -6.654 1.00 0.00 O ATOM 506 H GLU A 29 9.010 20.542 -4.520 1.00 0.00 H ATOM 507 HA GLU A 29 9.431 18.126 -2.989 1.00 0.00 H ATOM 508 1HB GLU A 29 11.322 20.273 -4.001 1.00 0.00 H ATOM 509 2HB GLU A 29 11.866 18.853 -3.118 1.00 0.00 H ATOM 510 1HG GLU A 29 10.931 17.396 -4.855 1.00 0.00 H ATOM 511 2HG GLU A 29 10.345 18.807 -5.734 1.00 0.00 H ATOM 512 N GLU A 30 9.679 21.017 -1.474 1.00 0.00 N ATOM 513 CA GLU A 30 9.812 21.665 -0.175 1.00 0.00 C ATOM 514 C GLU A 30 8.796 21.116 0.820 1.00 0.00 C ATOM 515 O GLU A 30 9.075 21.019 2.015 1.00 0.00 O ATOM 516 CB GLU A 30 9.640 23.179 -0.313 1.00 0.00 C ATOM 517 CG GLU A 30 10.759 23.872 -1.077 1.00 0.00 C ATOM 518 CD GLU A 30 10.529 25.349 -1.240 1.00 0.00 C ATOM 519 OE1 GLU A 30 9.461 25.805 -0.907 1.00 0.00 O ATOM 520 OE2 GLU A 30 11.421 26.022 -1.699 1.00 0.00 O ATOM 521 H GLU A 30 9.424 21.573 -2.278 1.00 0.00 H ATOM 522 HA GLU A 30 10.815 21.472 0.208 1.00 0.00 H ATOM 523 1HB GLU A 30 8.702 23.393 -0.827 1.00 0.00 H ATOM 524 2HB GLU A 30 9.580 23.631 0.677 1.00 0.00 H ATOM 525 1HG GLU A 30 11.697 23.720 -0.543 1.00 0.00 H ATOM 526 2HG GLU A 30 10.853 23.413 -2.060 1.00 0.00 H ATOM 527 N ILE A 31 7.618 20.760 0.319 1.00 0.00 N ATOM 528 CA ILE A 31 6.558 20.224 1.163 1.00 0.00 C ATOM 529 C ILE A 31 6.659 18.708 1.280 1.00 0.00 C ATOM 530 O ILE A 31 6.396 18.138 2.338 1.00 0.00 O ATOM 531 CB ILE A 31 5.172 20.606 0.613 1.00 0.00 C ATOM 532 CG1 ILE A 31 4.968 22.122 0.684 1.00 0.00 C ATOM 533 CG2 ILE A 31 4.076 19.882 1.380 1.00 0.00 C ATOM 534 CD1 ILE A 31 3.760 22.612 -0.082 1.00 0.00 C ATOM 535 H ILE A 31 7.453 20.865 -0.672 1.00 0.00 H ATOM 536 HA ILE A 31 6.655 20.658 2.160 1.00 0.00 H ATOM 537 HB ILE A 31 5.109 20.329 -0.439 1.00 0.00 H ATOM 538 1HG1 ILE A 31 4.859 22.426 1.724 1.00 0.00 H ATOM 539 2HG1 ILE A 31 5.849 22.627 0.287 1.00 0.00 H ATOM 540 1HG2 ILE A 31 3.103 20.164 0.978 1.00 0.00 H ATOM 541 2HG2 ILE A 31 4.212 18.806 1.279 1.00 0.00 H ATOM 542 3HG2 ILE A 31 4.127 20.157 2.434 1.00 0.00 H ATOM 543 1HD1 ILE A 31 3.683 23.695 0.015 1.00 0.00 H ATOM 544 2HD1 ILE A 31 3.865 22.349 -1.135 1.00 0.00 H ATOM 545 3HD1 ILE A 31 2.861 22.147 0.320 1.00 0.00 H ATOM 546 N LEU A 32 7.043 18.061 0.185 1.00 0.00 N ATOM 547 CA LEU A 32 7.097 16.605 0.135 1.00 0.00 C ATOM 548 C LEU A 32 8.047 16.053 1.190 1.00 0.00 C ATOM 549 O LEU A 32 7.774 15.024 1.808 1.00 0.00 O ATOM 550 CB LEU A 32 7.543 16.138 -1.257 1.00 0.00 C ATOM 551 CG LEU A 32 7.707 14.622 -1.429 1.00 0.00 C ATOM 552 CD1 LEU A 32 6.386 13.930 -1.124 1.00 0.00 C ATOM 553 CD2 LEU A 32 8.168 14.319 -2.847 1.00 0.00 C ATOM 554 H LEU A 32 7.303 18.592 -0.635 1.00 0.00 H ATOM 555 HA LEU A 32 6.097 16.214 0.326 1.00 0.00 H ATOM 556 1HB LEU A 32 6.811 16.477 -1.988 1.00 0.00 H ATOM 557 2HB LEU A 32 8.501 16.603 -1.490 1.00 0.00 H ATOM 558 HG LEU A 32 8.448 14.253 -0.720 1.00 0.00 H ATOM 559 1HD1 LEU A 32 6.502 12.853 -1.246 1.00 0.00 H ATOM 560 2HD1 LEU A 32 6.089 14.148 -0.098 1.00 0.00 H ATOM 561 3HD1 LEU A 32 5.619 14.292 -1.808 1.00 0.00 H ATOM 562 1HD2 LEU A 32 8.285 13.242 -2.969 1.00 0.00 H ATOM 563 2HD2 LEU A 32 7.427 14.687 -3.557 1.00 0.00 H ATOM 564 3HD2 LEU A 32 9.123 14.812 -3.032 1.00 0.00 H ATOM 565 N GLU A 33 9.164 16.744 1.392 1.00 0.00 N ATOM 566 CA GLU A 33 10.177 16.301 2.344 1.00 0.00 C ATOM 567 C GLU A 33 9.550 15.921 3.679 1.00 0.00 C ATOM 568 O GLU A 33 9.865 14.878 4.251 1.00 0.00 O ATOM 569 CB GLU A 33 11.226 17.394 2.554 1.00 0.00 C ATOM 570 CG GLU A 33 12.369 17.000 3.479 1.00 0.00 C ATOM 571 CD GLU A 33 13.393 18.088 3.641 1.00 0.00 C ATOM 572 OE1 GLU A 33 13.186 19.156 3.116 1.00 0.00 O ATOM 573 OE2 GLU A 33 14.384 17.852 4.291 1.00 0.00 O ATOM 574 H GLU A 33 9.316 17.597 0.874 1.00 0.00 H ATOM 575 HA GLU A 33 10.679 15.425 1.933 1.00 0.00 H ATOM 576 1HB GLU A 33 11.656 17.676 1.593 1.00 0.00 H ATOM 577 2HB GLU A 33 10.749 18.281 2.972 1.00 0.00 H ATOM 578 1HG GLU A 33 11.961 16.752 4.458 1.00 0.00 H ATOM 579 2HG GLU A 33 12.853 16.109 3.081 1.00 0.00 H ATOM 580 N GLU A 34 8.658 16.775 4.172 1.00 0.00 N ATOM 581 CA GLU A 34 8.000 16.541 5.452 1.00 0.00 C ATOM 582 C GLU A 34 6.925 15.469 5.331 1.00 0.00 C ATOM 583 O GLU A 34 6.685 14.708 6.269 1.00 0.00 O ATOM 584 CB GLU A 34 7.383 17.838 5.979 1.00 0.00 C ATOM 585 CG GLU A 34 8.398 18.882 6.423 1.00 0.00 C ATOM 586 CD GLU A 34 7.756 20.129 6.965 1.00 0.00 C ATOM 587 OE1 GLU A 34 6.572 20.288 6.792 1.00 0.00 O ATOM 588 OE2 GLU A 34 8.451 20.923 7.554 1.00 0.00 O ATOM 589 H GLU A 34 8.431 17.607 3.646 1.00 0.00 H ATOM 590 HA GLU A 34 8.749 16.206 6.171 1.00 0.00 H ATOM 591 1HB GLU A 34 6.760 18.286 5.205 1.00 0.00 H ATOM 592 2HB GLU A 34 6.738 17.615 6.830 1.00 0.00 H ATOM 593 1HG GLU A 34 9.034 18.450 7.195 1.00 0.00 H ATOM 594 2HG GLU A 34 9.029 19.143 5.575 1.00 0.00 H ATOM 595 N VAL A 35 6.280 15.412 4.171 1.00 0.00 N ATOM 596 CA VAL A 35 5.238 14.424 3.920 1.00 0.00 C ATOM 597 C VAL A 35 5.792 13.008 3.998 1.00 0.00 C ATOM 598 O VAL A 35 5.183 12.125 4.603 1.00 0.00 O ATOM 599 CB VAL A 35 4.610 14.651 2.532 1.00 0.00 C ATOM 600 CG1 VAL A 35 3.732 13.470 2.145 1.00 0.00 C ATOM 601 CG2 VAL A 35 3.807 15.943 2.532 1.00 0.00 C ATOM 602 H VAL A 35 6.518 16.071 3.444 1.00 0.00 H ATOM 603 HA VAL A 35 4.463 14.538 4.678 1.00 0.00 H ATOM 604 HB VAL A 35 5.405 14.717 1.790 1.00 0.00 H ATOM 605 1HG1 VAL A 35 3.296 13.647 1.162 1.00 0.00 H ATOM 606 2HG1 VAL A 35 4.335 12.563 2.117 1.00 0.00 H ATOM 607 3HG1 VAL A 35 2.935 13.354 2.879 1.00 0.00 H ATOM 608 1HG2 VAL A 35 3.366 16.097 1.548 1.00 0.00 H ATOM 609 2HG2 VAL A 35 3.015 15.879 3.279 1.00 0.00 H ATOM 610 3HG2 VAL A 35 4.464 16.780 2.770 1.00 0.00 H ATOM 611 N ILE A 36 6.951 12.797 3.383 1.00 0.00 N ATOM 612 CA ILE A 36 7.586 11.484 3.375 1.00 0.00 C ATOM 613 C ILE A 36 7.964 11.046 4.784 1.00 0.00 C ATOM 614 O ILE A 36 7.718 9.905 5.176 1.00 0.00 O ATOM 615 CB ILE A 36 8.841 11.487 2.483 1.00 0.00 C ATOM 616 CG1 ILE A 36 8.450 11.648 1.012 1.00 0.00 C ATOM 617 CG2 ILE A 36 9.642 10.210 2.688 1.00 0.00 C ATOM 618 CD1 ILE A 36 9.622 11.914 0.094 1.00 0.00 C ATOM 619 H ILE A 36 7.404 13.565 2.909 1.00 0.00 H ATOM 620 HA ILE A 36 6.881 10.761 2.961 1.00 0.00 H ATOM 621 HB ILE A 36 9.467 12.341 2.738 1.00 0.00 H ATOM 622 1HG1 ILE A 36 7.946 10.745 0.668 1.00 0.00 H ATOM 623 2HG1 ILE A 36 7.746 12.473 0.911 1.00 0.00 H ATOM 624 1HG2 ILE A 36 10.525 10.228 2.050 1.00 0.00 H ATOM 625 2HG2 ILE A 36 9.949 10.136 3.730 1.00 0.00 H ATOM 626 3HG2 ILE A 36 9.025 9.348 2.430 1.00 0.00 H ATOM 627 1HD1 ILE A 36 9.266 12.017 -0.931 1.00 0.00 H ATOM 628 2HD1 ILE A 36 10.121 12.834 0.399 1.00 0.00 H ATOM 629 3HD1 ILE A 36 10.325 11.084 0.152 1.00 0.00 H ATOM 630 N GLU A 37 8.563 11.958 5.540 1.00 0.00 N ATOM 631 CA GLU A 37 9.045 11.646 6.881 1.00 0.00 C ATOM 632 C GLU A 37 7.894 11.281 7.809 1.00 0.00 C ATOM 633 O GLU A 37 7.991 10.337 8.592 1.00 0.00 O ATOM 634 CB GLU A 37 9.823 12.830 7.459 1.00 0.00 C ATOM 635 CG GLU A 37 10.410 12.583 8.841 1.00 0.00 C ATOM 636 CD GLU A 37 11.499 11.546 8.837 1.00 0.00 C ATOM 637 OE1 GLU A 37 12.062 11.307 7.796 1.00 0.00 O ATOM 638 OE2 GLU A 37 11.768 10.993 9.877 1.00 0.00 O ATOM 639 H GLU A 37 8.689 12.893 5.177 1.00 0.00 H ATOM 640 HA GLU A 37 9.724 10.795 6.815 1.00 0.00 H ATOM 641 1HB GLU A 37 10.643 13.089 6.789 1.00 0.00 H ATOM 642 2HB GLU A 37 9.167 13.699 7.524 1.00 0.00 H ATOM 643 1HG GLU A 37 10.816 13.518 9.225 1.00 0.00 H ATOM 644 2HG GLU A 37 9.613 12.263 9.511 1.00 0.00 H ATOM 645 N GLU A 38 6.804 12.036 7.716 1.00 0.00 N ATOM 646 CA GLU A 38 5.637 11.803 8.560 1.00 0.00 C ATOM 647 C GLU A 38 4.885 10.552 8.126 1.00 0.00 C ATOM 648 O GLU A 38 4.434 9.768 8.962 1.00 0.00 O ATOM 649 CB GLU A 38 4.700 13.013 8.519 1.00 0.00 C ATOM 650 CG GLU A 38 5.206 14.226 9.286 1.00 0.00 C ATOM 651 CD GLU A 38 4.187 15.328 9.375 1.00 0.00 C ATOM 652 OE1 GLU A 38 3.200 15.256 8.684 1.00 0.00 O ATOM 653 OE2 GLU A 38 4.398 16.244 10.134 1.00 0.00 O ATOM 654 H GLU A 38 6.783 12.790 7.044 1.00 0.00 H ATOM 655 HA GLU A 38 5.976 11.671 9.588 1.00 0.00 H ATOM 656 1HB GLU A 38 4.540 13.314 7.484 1.00 0.00 H ATOM 657 2HB GLU A 38 3.731 12.735 8.933 1.00 0.00 H ATOM 658 1HG GLU A 38 5.479 13.917 10.295 1.00 0.00 H ATOM 659 2HG GLU A 38 6.102 14.604 8.797 1.00 0.00 H ATOM 660 N ALA A 39 4.753 10.370 6.817 1.00 0.00 N ATOM 661 CA ALA A 39 4.001 9.246 6.271 1.00 0.00 C ATOM 662 C ALA A 39 4.605 7.917 6.706 1.00 0.00 C ATOM 663 O ALA A 39 3.883 6.960 6.990 1.00 0.00 O ATOM 664 CB ALA A 39 3.950 9.332 4.752 1.00 0.00 C ATOM 665 H ALA A 39 5.185 11.027 6.183 1.00 0.00 H ATOM 666 HA ALA A 39 2.977 9.303 6.641 1.00 0.00 H ATOM 667 1HB ALA A 39 3.386 8.486 4.359 1.00 0.00 H ATOM 668 2HB ALA A 39 3.463 10.261 4.457 1.00 0.00 H ATOM 669 3HB ALA A 39 4.962 9.309 4.352 1.00 0.00 H ATOM 670 N ARG A 40 5.932 7.864 6.756 1.00 0.00 N ATOM 671 CA ARG A 40 6.636 6.632 7.093 1.00 0.00 C ATOM 672 C ARG A 40 6.461 6.282 8.565 1.00 0.00 C ATOM 673 O ARG A 40 6.804 5.182 8.996 1.00 0.00 O ATOM 674 CB ARG A 40 8.119 6.760 6.779 1.00 0.00 C ATOM 675 CG ARG A 40 8.463 6.743 5.298 1.00 0.00 C ATOM 676 CD ARG A 40 9.901 7.031 5.065 1.00 0.00 C ATOM 677 NE ARG A 40 10.264 6.885 3.665 1.00 0.00 N ATOM 678 CZ ARG A 40 11.447 7.257 3.138 1.00 0.00 C ATOM 679 NH1 ARG A 40 12.369 7.793 3.906 1.00 0.00 N ATOM 680 NH2 ARG A 40 11.680 7.082 1.849 1.00 0.00 N ATOM 681 H ARG A 40 6.466 8.697 6.556 1.00 0.00 H ATOM 682 HA ARG A 40 6.225 5.822 6.490 1.00 0.00 H ATOM 683 1HB ARG A 40 8.500 7.691 7.196 1.00 0.00 H ATOM 684 2HB ARG A 40 8.663 5.942 7.253 1.00 0.00 H ATOM 685 1HG ARG A 40 8.239 5.760 4.884 1.00 0.00 H ATOM 686 2HG ARG A 40 7.873 7.500 4.779 1.00 0.00 H ATOM 687 1HD ARG A 40 10.121 8.054 5.369 1.00 0.00 H ATOM 688 2HD ARG A 40 10.510 6.341 5.648 1.00 0.00 H ATOM 689 HE ARG A 40 9.579 6.476 3.042 1.00 0.00 H ATOM 690 1HH1 ARG A 40 12.190 7.927 4.891 1.00 0.00 H ATOM 691 2HH1 ARG A 40 13.255 8.072 3.511 1.00 0.00 H ATOM 692 1HH2 ARG A 40 10.971 6.669 1.258 1.00 0.00 H ATOM 693 2HH2 ARG A 40 12.566 7.360 1.454 1.00 0.00 H ATOM 694 N ARG A 41 5.924 7.225 9.333 1.00 0.00 N ATOM 695 CA ARG A 41 5.800 7.060 10.776 1.00 0.00 C ATOM 696 C ARG A 41 4.345 6.879 11.187 1.00 0.00 C ATOM 697 O ARG A 41 4.039 6.113 12.100 1.00 0.00 O ATOM 698 CB ARG A 41 6.384 8.262 11.503 1.00 0.00 C ATOM 699 CG ARG A 41 6.235 8.228 13.016 1.00 0.00 C ATOM 700 CD ARG A 41 7.035 7.133 13.622 1.00 0.00 C ATOM 701 NE ARG A 41 6.864 7.069 15.064 1.00 0.00 N ATOM 702 CZ ARG A 41 5.854 6.431 15.688 1.00 0.00 C ATOM 703 NH1 ARG A 41 4.936 5.808 14.983 1.00 0.00 N ATOM 704 NH2 ARG A 41 5.787 6.432 17.007 1.00 0.00 N ATOM 705 H ARG A 41 5.593 8.077 8.905 1.00 0.00 H ATOM 706 HA ARG A 41 6.360 6.172 11.072 1.00 0.00 H ATOM 707 1HB ARG A 41 7.446 8.343 11.278 1.00 0.00 H ATOM 708 2HB ARG A 41 5.903 9.173 11.145 1.00 0.00 H ATOM 709 1HG ARG A 41 6.576 9.174 13.437 1.00 0.00 H ATOM 710 2HG ARG A 41 5.188 8.071 13.276 1.00 0.00 H ATOM 711 1HD ARG A 41 6.723 6.178 13.199 1.00 0.00 H ATOM 712 2HD ARG A 41 8.092 7.294 13.411 1.00 0.00 H ATOM 713 HE ARG A 41 7.551 7.538 15.640 1.00 0.00 H ATOM 714 1HH1 ARG A 41 4.988 5.807 13.974 1.00 0.00 H ATOM 715 2HH1 ARG A 41 4.180 5.329 15.450 1.00 0.00 H ATOM 716 1HH2 ARG A 41 6.493 6.911 17.549 1.00 0.00 H ATOM 717 2HH2 ARG A 41 5.031 5.954 17.474 1.00 0.00 H ATOM 718 N LEU A 42 3.451 7.587 10.506 1.00 0.00 N ATOM 719 CA LEU A 42 2.071 7.718 10.960 1.00 0.00 C ATOM 720 C LEU A 42 1.160 6.731 10.242 1.00 0.00 C ATOM 721 O LEU A 42 0.116 6.340 10.767 1.00 0.00 O ATOM 722 CB LEU A 42 1.569 9.149 10.727 1.00 0.00 C ATOM 723 CG LEU A 42 2.341 10.252 11.462 1.00 0.00 C ATOM 724 CD1 LEU A 42 1.710 11.604 11.156 1.00 0.00 C ATOM 725 CD2 LEU A 42 2.332 9.970 12.956 1.00 0.00 C ATOM 726 H LEU A 42 3.734 8.047 9.653 1.00 0.00 H ATOM 727 HA LEU A 42 2.037 7.511 12.029 1.00 0.00 H ATOM 728 1HB LEU A 42 1.618 9.365 9.661 1.00 0.00 H ATOM 729 2HB LEU A 42 0.528 9.208 11.041 1.00 0.00 H ATOM 730 HG LEU A 42 3.371 10.277 11.103 1.00 0.00 H ATOM 731 1HD1 LEU A 42 2.259 12.388 11.678 1.00 0.00 H ATOM 732 2HD1 LEU A 42 1.748 11.789 10.083 1.00 0.00 H ATOM 733 3HD1 LEU A 42 0.673 11.604 11.489 1.00 0.00 H ATOM 734 1HD2 LEU A 42 2.881 10.754 13.479 1.00 0.00 H ATOM 735 2HD2 LEU A 42 1.303 9.946 13.316 1.00 0.00 H ATOM 736 3HD2 LEU A 42 2.805 9.006 13.147 1.00 0.00 H ATOM 737 N VAL A 43 1.559 6.331 9.039 1.00 0.00 N ATOM 738 CA VAL A 43 0.752 5.431 8.224 1.00 0.00 C ATOM 739 C VAL A 43 0.836 4.000 8.736 1.00 0.00 C ATOM 740 O VAL A 43 1.850 3.591 9.302 1.00 0.00 O ATOM 741 OXT VAL A 43 -0.093 3.254 8.590 1.00 0.00 O ATOM 742 CB VAL A 43 1.218 5.477 6.756 1.00 0.00 C ATOM 743 CG1 VAL A 43 0.473 4.440 5.929 1.00 0.00 C ATOM 744 CG2 VAL A 43 1.007 6.872 6.189 1.00 0.00 C ATOM 745 H VAL A 43 2.444 6.659 8.680 1.00 0.00 H ATOM 746 HA VAL A 43 -0.288 5.759 8.272 1.00 0.00 H ATOM 747 HB VAL A 43 2.277 5.222 6.713 1.00 0.00 H ATOM 748 1HG1 VAL A 43 0.815 4.486 4.894 1.00 0.00 H ATOM 749 2HG1 VAL A 43 0.667 3.446 6.331 1.00 0.00 H ATOM 750 3HG1 VAL A 43 -0.597 4.645 5.965 1.00 0.00 H ATOM 751 1HG2 VAL A 43 1.340 6.897 5.152 1.00 0.00 H ATOM 752 2HG2 VAL A 43 -0.051 7.129 6.238 1.00 0.00 H ATOM 753 3HG2 VAL A 43 1.583 7.593 6.772 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE start00_0014_0001.pdb label fa_atr fa_rep fa_sol fa_intra_atr_xover4 fa_intra_rep_xover4 fa_intra_sol_xover4 lk_ball lk_ball_iso lk_ball_bridge lk_ball_bridge_uncpl fa_elec fa_intra_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun_dev fa_dun_rot fa_dun_semi p_aa_pp hxl_tors ref rama_prepro gen_bonded total weights 1 0.55 1 1 0.55 1 0.92 -0.38 -0.33 -0.33 1 1 1.25 1 1 1 1 1.25 0.48 0.69 0.76 0.78 0.61 1 1 0.5 1 NA pose -233.008 34.1033 138.914 -21.5776 13.0062 15.0948 82.2828 -88.7153 -0.31165 -2.2417 -51.1516 -14.6614 0 -25.2879 -4.0981 -0.15604 -1.49887 0 2.63606 3.42132 34.9947 35.1466 -11.3064 11.5354 -16.8738 4.41582 0 -95.3374 THR:NtermProteinFull_1 -3.04545 0.20323 2.36858 -0.18578 0.12137 0.07213 1.35611 -1.26107 -0.01302 -0.14052 -0.93533 -1.0825 0 0 0 0 0 0 0.04191 0.01022 0.07927 0 0 2.28582 -1.0874 0 0 -1.21243 LEU_2 -7.43528 1.46784 1.80713 -0.7167 0.66563 0.2875 1.7108 -2.07344 -0 -0 -1.70494 0.135 0 0 0 0 0 0 -0.01345 0.02131 1.21524 0 -0.28412 0 0.18072 -0.06419 0 -4.80096 GLU_3 -4.20346 0.22345 4.24721 -0.45359 0.1385 1.37167 1.6487 -2.09811 -0.02276 -0.14446 -1.14131 -2.42233 0 0 0 0 0 0 0.04967 0.07944 0 4.0542 -0.24455 0 -2.7348 -0.24339 0 -1.89591 GLU_4 -4.25662 0.31547 4.52888 -0.21397 0.03125 0.30303 1.73348 -2.10676 -0.03577 -0.28498 -0.80445 -0.58735 0 0 0 0 0 0 0.23029 0.03028 0 3.07248 -0.2591 0 -2.7348 -0.36087 0 -1.39953 TRP_5 -11.6607 2.77149 3.41928 -1.23515 0.04786 0.51414 3.3062 -3.27773 -0.00047 -0.0046 -1.64551 -0.36722 0 0 0 0 0 0 -0.01608 0.05122 0 2.02478 -0.23821 0 1.6906 -0.07242 0 -4.69249 LEU_6 -9.13633 2.2378 3.72127 -0.5079 0.52035 0.12475 3.09129 -2.95346 -0 -0 -2.13814 0.25367 0 0 0 0 0 0 0.42243 0.16007 0.32119 0 -0.2594 0 0.18072 0.19287 0 -3.76881 LEU_7 -5.14683 0.45468 5.14254 -0.51144 0.61605 0.12311 2.55661 -2.60371 -0 -0 -1.50213 0.25971 0 0 0 0 0 0 -0.04686 0.00965 0.32276 0 -0.29789 0 0.18072 0.02503 0 -0.418 ARG_8 -6.62497 0.51495 6.06326 -1.5943 1.26487 1.56763 3.03914 -3.11235 -0.01843 -0.16323 -1.87347 -0.98072 0 0 0 0 0 0 -0.03531 0.26571 4.35765 0 -0.05562 0 -1.2888 -0.04968 0 1.27635 VAL_9 -9.76039 2.71361 2.38847 -0.26933 0.27426 0.04436 3.0459 -3.06207 -0 -0 -1.75832 0.49271 0 0 0 0 0 0 0.54499 0.50655 0.59267 0 0.14295 0 1.9342 -0.03226 0 -2.20168 ILE_10 -6.50247 1.43796 4.03391 -0.51631 0.62239 0.10287 2.64798 -2.63885 -0.00047 -0.0046 -1.41161 0.05583 0 0 0 0 0 0 0.32672 0.10301 0.66469 0 -0.38341 0 0.73287 0.08415 0 -0.64534 GLU_11 -5.12443 0.26258 5.90912 -0.21634 0.02624 0.29729 2.65995 -2.74138 -0.01843 -0.16323 -1.928 -0.59348 0 0 0 0 0 0 -0.0502 0.03329 0 3.01524 -0.32373 0 -2.7348 -0.11913 0 -1.80944 ALA_12 -6.43046 0.49986 4.9463 -0.01976 0 0 3.75611 -3.24583 -0 -0 -3.2755 -0.33146 0 0 0 0 0 0 0.08625 0 0 0 0.14293 0 1.8394 0.28704 0 -1.74512 VAL_13 -7.70905 1.74357 3.13741 -0.27848 0.22255 0.0461 1.91936 -2.77227 -0.00915 -0.10909 -0.64372 0.48911 0 0 0 0 0 0 0.18358 0.01728 0.64639 0 0.10721 0 1.9342 0.48766 0 -0.58734 ARG_14 -3.06778 0.46523 3.35272 -1.57954 0.62745 1.47474 1.28733 -1.59129 -0 -0 -0.57045 -0.93291 0 0 0 0 0 0 -0.00367 0.01221 3.33637 0 -0.07307 0 -1.2888 -0.07199 0 1.37657 LYS_15 -3.76292 0.15381 3.874 -0.30573 0.0296 0.14218 1.40965 -1.61802 -0 -0 -0.9124 -0.0749 0 0 0 0 0 0 -0.04593 0.01733 1.96341 0 -0.14552 0 -1.5107 -0.11982 0 -0.90597 GLY_16 -2.0527 0.08772 2.63609 -6e-05 0 0 1.04807 -1.25105 -0.00048 -0.0134 -0.89613 -0.35623 0 0 0 0 0 0 -0.10717 0 0 0 -1.53555 0 0.83697 0.4449 0 -1.15904 LYS_17 -3.58847 0.10717 3.51052 -0.53882 0.31916 0.35522 1.2946 -1.60523 -0.00805 -0.02585 -0.5526 0.12873 0 0 0 0 0 0 0.00298 0.0791 1.79774 0 -0.07147 0 -1.5107 0.44173 0 0.13577 THR_18 -2.71643 0.15843 1.23001 -0.17781 0.11904 0.06469 0.45907 -0.92568 -0.00048 -0.0134 -0.5528 -0.23057 0 0 0 0 0 0 -0.00784 0.00705 0.11103 0 -0.04608 2.30632 -1.0874 -0.10154 0 -1.4044 VAL_19 -5.43427 0.88695 1.83731 -0.37808 0.46614 0.0911 1.79534 -1.77395 -0.00805 -0.02585 -1.93347 -0.09519 0 0 0 0 0 0 -0.04503 0.04789 0.75077 0 -0.59197 0 1.9342 -0.13741 0 -2.61359 THR_20 -2.47496 0.51025 0.66484 -0.11996 0.05132 0.08935 0.47949 -0.72709 -0 -0 -0.88285 -0.67548 0 0 0 0 0 0 0.05397 0.00064 0.52898 0 -0.20977 2.28509 -1.0874 -0.16932 0 -1.68289 TRP_21 -7.27043 1.65279 1.9236 -1.24901 0.15109 0.29542 2.06722 -1.98124 -0 -0 -1.50804 -0.93761 0 0 0 0 0 0 0.06763 0.12305 0 1.57062 -0.21263 0 1.6906 0.79847 0 -2.81849 GLY_22 -1.74095 0.0949 1.13868 -0.00018 0 0 0.28877 -0.73456 -0 -0 0.49463 -0.31668 0 0 0 0 0 0 -0.30201 0 0 0 -1.32797 0 0.83697 1.23236 0 -0.33604 ARG_23 -4.14436 0.36401 2.39683 -1.08444 0.34863 0.9023 1.04272 -1.30804 -0 -0 -0.26154 0.22165 0 0 0 0 0 0 0.06937 0.18402 3.1049 0 -0.22007 0 -1.2888 0.44498 0 0.77215 TRP_24 -11.1384 1.58789 3.50347 -0.93473 0.04999 0.70108 3.66811 -3.00237 -0 -0 -2.5626 -0.03233 0 0 0 0 -0.74943 0 0.7092 0.17579 0 2.65199 -0.21029 0 1.6906 -0.04018 0 -3.93226 THR_25 -3.67072 0.36843 1.04996 -0.17645 0.13133 0.06345 0.47212 -1.14195 -0.00909 -0.02823 -0.48651 -0.2572 0 0 0 0 0 0 0.01713 0.02387 0.1714 0 -0.16148 2.28589 -1.0874 -0.09293 0 -2.52839 ILE_26 -8.53464 2.00087 0.82191 -0.59894 1.51255 0.16496 2.23532 -1.98901 -0 -0 -1.13958 0.04073 0 0 0 0 0 0 -0.05136 0.00705 3.11778 0 -0.73837 0 0.73287 -0.277 0 -2.69486 ARG_27 -4.09233 0.24684 2.00575 -0.6148 0.17827 0.35919 0.37516 -1.2889 -0.0464 -0.26252 0.53969 0.07488 0 0 0 0 0 0 0.01877 0.1709 2.30102 0 -0.22444 0 -1.2888 0.36432 0 -1.18338 THR_28 -5.09501 0.54089 3.37007 -0.20582 0.15104 0.07347 2.05755 -2.06493 -0.02816 -0.1252 -1.41842 -1.07485 0 0 0 -0.07802 0 0 0.23882 0.04999 0.67283 0 -0.05378 2.37225 -1.0874 1.05976 0 -0.64492 GLU_29 -3.78069 0.23416 3.14149 -0.21649 0.02889 0.30547 1.26556 -1.57319 -0.00981 -0.10965 -0.83392 -0.58414 0 0 0 -0.07802 0 0 -0.02932 0.0246 0 3.08424 -0.32862 0 -2.7348 0.17764 0 -2.01661 GLU_30 -2.46119 0.24851 2.50348 -0.21871 0.03248 0.31062 0.81341 -1.21524 -0 -0 0.41099 -0.60228 0 0 0 0 0 0 -0.03952 0.01291 0 3.04089 -0.35686 0 -2.7348 -0.48057 0 -0.73587 ILE_31 -4.99524 0.41 3.9086 -0.51716 0.72099 0.10525 2.45727 -2.19953 -0.00624 -0.08008 -0.6786 -0.16856 0 0 0 0 0 0 -0.02603 0.00961 0.9738 0 -0.28468 0 0.73287 -0.19321 0 0.16907 LEU_32 -9.73348 2.08289 3.50434 -0.72559 0.52631 0.31423 2.80383 -3.01232 -0.01079 -0.08311 -2.02294 0.11296 0 0 0 0 0 0 -0.06038 0.14093 1.07766 0 -0.26089 0 0.18072 0.11053 0 -5.0551 GLU_33 -3.47584 0.22147 4.39763 -0.32789 0.06615 0.38189 1.68916 -1.99045 -0.00981 -0.10965 -1.00404 -0.59924 0 0 0 0 0 0 -0.0275 0.00143 0 2.92477 -0.10031 0 -2.7348 0.45728 0 -0.23972 GLU_34 -3.88227 0.24276 4.81796 -0.2155 0.02657 0.30091 2.01612 -2.19926 -0.00624 -0.08008 -1.19173 -0.58219 0 0 0 0 0 0 0.04686 0.03369 0 3.07973 -0.29818 0 -2.7348 0.17269 0 -0.45296 VAL_35 -8.18808 1.69975 3.48607 -0.31394 0.29039 0.07144 3.0295 -2.86345 -0 -0 -1.8116 -0.06074 0 0 0 0 0 0 -0.05624 0.15251 0.06832 0 -0.27446 0 1.9342 -0.06006 0 -2.89639 ILE_36 -7.67973 0.82742 4.04308 -0.51572 0.69505 0.10049 2.30269 -2.74046 -0 -0 -2.23771 0.12359 0 0 0 0 0 0 -0.00105 0.01996 0.54857 0 -0.43476 0 0.73287 0.3668 0 -3.8489 GLU_37 -3.52482 0.09689 4.08313 -0.62993 0.1617 1.15161 1.51602 -1.91658 -0.01079 -0.08311 -0.90237 -0.64273 0 0 0 0 0 0 -0.0276 0.01137 0 3.49549 -0.18084 0 -2.7348 0.08419 0 -0.05316 GLU_38 -6.03443 0.33703 6.45306 -0.21114 0.02216 0.27614 3.61572 -3.02116 -0.01939 -0.09343 -3.55366 -0.55612 0 0 0 0 -0.74943 0 -0.0405 0.36432 0 3.13222 -0.22788 0 -2.7348 -0.23321 0 -3.2745 ALA_39 -6.65185 1.36109 2.72517 -0.02223 0 0 2.86597 -2.73144 -0 -0 -1.7359 -0.36508 0 0 0 0 0 0 -0.04976 0 0 0 -0.32366 0 1.8394 -0.25073 0 -3.33902 ARG_40 -4.92847 0.46095 3.51723 -0.45573 0.06352 0.24442 1.42884 -1.92605 -0 -0 -1.2502 0.2649 0 0 0 0 0 0 0.08462 0.29239 2.09987 0 -0.07974 0 -1.2888 -0.16829 0 -1.64054 ARG_41 -3.10912 0.35143 3.26516 -1.62296 0.60097 1.60984 1.4035 -1.53336 -0 -0 -0.39944 -1.21598 0 0 0 0 0 0 0.57287 0.01292 3.8604 0 -0.12621 0 -1.2888 0.28103 0 2.66225 LEU_42 -4.63367 0.33079 3.15566 -0.52026 0.71159 0.13532 1.35862 -1.62642 -0 -0 -0.41069 0.19833 0 0 0 0 0 0 -0.0492 0.13635 0.24328 0 -0.2539 0 0.18072 0.27364 0 -0.76984 VAL:CtermProteinFull_43 -4.10821 1.12547 0.88256 -0.38093 0.37253 0.15545 1.26442 -1.21604 -0.01939 -0.09343 -0.12433 -0.78715 0 0 0 0 0 0 0 0.02142 0.06675 0 0 0 1.9342 -0.03305 0 -0.93971 #END_POSE_ENERGIES_TABLE start00_0014_0001.pdb score_per_res -2.25738 total_score -97.0672
HEEH_KT_rd6_2362.pdb
ATOM 1 N THR A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA THR A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C THR A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O THR A 1 1.826 2.167 -0.961 1.00 0.00 O ATOM 5 CB THR A 1 2.012 -0.770 -1.213 1.00 0.00 C ATOM 6 OG1 THR A 1 1.569 -2.132 -1.161 1.00 0.00 O ATOM 7 CG2 THR A 1 3.533 -0.735 -1.217 1.00 0.00 C ATOM 8 1H THR A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 9 2H THR A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 10 3H THR A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 11 HA THR A 1 1.804 -0.509 0.900 1.00 0.00 H ATOM 12 HB THR A 1 1.642 -0.316 -2.132 1.00 0.00 H ATOM 13 HG1 THR A 1 1.692 -2.541 -2.021 1.00 0.00 H ATOM 14 1HG2 THR A 1 3.907 -1.284 -2.081 1.00 0.00 H ATOM 15 2HG2 THR A 1 3.873 0.299 -1.268 1.00 0.00 H ATOM 16 3HG2 THR A 1 3.910 -1.196 -0.305 1.00 0.00 H ATOM 17 N GLU A 2 2.684 1.787 1.083 1.00 0.00 N ATOM 18 CA GLU A 2 3.177 3.149 1.255 1.00 0.00 C ATOM 19 C GLU A 2 4.220 3.493 0.199 1.00 0.00 C ATOM 20 O GLU A 2 4.302 4.634 -0.258 1.00 0.00 O ATOM 21 CB GLU A 2 3.773 3.328 2.653 1.00 0.00 C ATOM 22 CG GLU A 2 2.766 3.202 3.787 1.00 0.00 C ATOM 23 CD GLU A 2 2.431 1.774 4.116 1.00 0.00 C ATOM 24 OE1 GLU A 2 2.985 0.896 3.498 1.00 0.00 O ATOM 25 OE2 GLU A 2 1.621 1.560 4.987 1.00 0.00 O ATOM 26 H GLU A 2 2.861 1.106 1.808 1.00 0.00 H ATOM 27 HA GLU A 2 2.337 3.836 1.153 1.00 0.00 H ATOM 28 1HB GLU A 2 4.553 2.584 2.814 1.00 0.00 H ATOM 29 2HB GLU A 2 4.238 4.311 2.727 1.00 0.00 H ATOM 30 1HG GLU A 2 3.173 3.682 4.676 1.00 0.00 H ATOM 31 2HG GLU A 2 1.854 3.729 3.509 1.00 0.00 H ATOM 32 N GLU A 3 5.017 2.502 -0.184 1.00 0.00 N ATOM 33 CA GLU A 3 6.081 2.707 -1.160 1.00 0.00 C ATOM 34 C GLU A 3 5.519 3.147 -2.505 1.00 0.00 C ATOM 35 O GLU A 3 6.101 3.992 -3.185 1.00 0.00 O ATOM 36 CB GLU A 3 6.901 1.426 -1.333 1.00 0.00 C ATOM 37 CG GLU A 3 7.727 1.039 -0.115 1.00 0.00 C ATOM 38 CD GLU A 3 8.446 -0.270 -0.288 1.00 0.00 C ATOM 39 OE1 GLU A 3 8.184 -0.947 -1.253 1.00 0.00 O ATOM 40 OE2 GLU A 3 9.257 -0.594 0.547 1.00 0.00 O ATOM 41 H GLU A 3 4.881 1.582 0.210 1.00 0.00 H ATOM 42 HA GLU A 3 6.746 3.486 -0.786 1.00 0.00 H ATOM 43 1HB GLU A 3 6.233 0.595 -1.562 1.00 0.00 H ATOM 44 2HB GLU A 3 7.581 1.541 -2.177 1.00 0.00 H ATOM 45 1HG GLU A 3 8.462 1.821 0.076 1.00 0.00 H ATOM 46 2HG GLU A 3 7.071 0.976 0.752 1.00 0.00 H ATOM 47 N GLU A 4 4.384 2.570 -2.883 1.00 0.00 N ATOM 48 CA GLU A 4 3.755 2.882 -4.161 1.00 0.00 C ATOM 49 C GLU A 4 3.075 4.244 -4.122 1.00 0.00 C ATOM 50 O GLU A 4 3.098 4.988 -5.103 1.00 0.00 O ATOM 51 CB GLU A 4 2.734 1.803 -4.530 1.00 0.00 C ATOM 52 CG GLU A 4 3.345 0.456 -4.889 1.00 0.00 C ATOM 53 CD GLU A 4 2.313 -0.584 -5.226 1.00 0.00 C ATOM 54 OE1 GLU A 4 1.152 -0.336 -5.000 1.00 0.00 O ATOM 55 OE2 GLU A 4 2.685 -1.627 -5.710 1.00 0.00 O ATOM 56 H GLU A 4 3.945 1.898 -2.269 1.00 0.00 H ATOM 57 HA GLU A 4 4.526 2.897 -4.931 1.00 0.00 H ATOM 58 1HB GLU A 4 2.050 1.648 -3.696 1.00 0.00 H ATOM 59 2HB GLU A 4 2.142 2.139 -5.381 1.00 0.00 H ATOM 60 1HG GLU A 4 4.006 0.585 -5.746 1.00 0.00 H ATOM 61 2HG GLU A 4 3.946 0.107 -4.051 1.00 0.00 H ATOM 62 N ILE A 5 2.472 4.567 -2.983 1.00 0.00 N ATOM 63 CA ILE A 5 1.832 5.864 -2.795 1.00 0.00 C ATOM 64 C ILE A 5 2.844 6.998 -2.904 1.00 0.00 C ATOM 65 O ILE A 5 2.559 8.043 -3.487 1.00 0.00 O ATOM 66 CB ILE A 5 1.126 5.934 -1.429 1.00 0.00 C ATOM 67 CG1 ILE A 5 -0.034 4.937 -1.375 1.00 0.00 C ATOM 68 CG2 ILE A 5 0.630 7.347 -1.159 1.00 0.00 C ATOM 69 CD1 ILE A 5 -0.563 4.690 0.019 1.00 0.00 C ATOM 70 H ILE A 5 2.454 3.896 -2.228 1.00 0.00 H ATOM 71 HA ILE A 5 1.077 5.994 -3.572 1.00 0.00 H ATOM 72 HB ILE A 5 1.824 5.648 -0.643 1.00 0.00 H ATOM 73 1HG1 ILE A 5 -0.855 5.300 -1.993 1.00 0.00 H ATOM 74 2HG1 ILE A 5 0.288 3.981 -1.790 1.00 0.00 H ATOM 75 1HG2 ILE A 5 0.133 7.379 -0.189 1.00 0.00 H ATOM 76 2HG2 ILE A 5 1.475 8.034 -1.155 1.00 0.00 H ATOM 77 3HG2 ILE A 5 -0.074 7.641 -1.937 1.00 0.00 H ATOM 78 1HD1 ILE A 5 -1.383 3.972 -0.024 1.00 0.00 H ATOM 79 2HD1 ILE A 5 0.235 4.292 0.647 1.00 0.00 H ATOM 80 3HD1 ILE A 5 -0.925 5.627 0.442 1.00 0.00 H ATOM 81 N LEU A 6 4.028 6.784 -2.338 1.00 0.00 N ATOM 82 CA LEU A 6 5.084 7.787 -2.370 1.00 0.00 C ATOM 83 C LEU A 6 5.430 8.179 -3.801 1.00 0.00 C ATOM 84 O LEU A 6 5.516 9.362 -4.127 1.00 0.00 O ATOM 85 CB LEU A 6 6.337 7.259 -1.661 1.00 0.00 C ATOM 86 CG LEU A 6 7.412 8.306 -1.341 1.00 0.00 C ATOM 87 CD1 LEU A 6 8.133 8.701 -2.623 1.00 0.00 C ATOM 88 CD2 LEU A 6 6.764 9.515 -0.683 1.00 0.00 C ATOM 89 H LEU A 6 4.198 5.903 -1.874 1.00 0.00 H ATOM 90 HA LEU A 6 4.735 8.675 -1.839 1.00 0.00 H ATOM 91 1HB LEU A 6 6.037 6.796 -0.722 1.00 0.00 H ATOM 92 2HB LEU A 6 6.795 6.494 -2.288 1.00 0.00 H ATOM 93 HG LEU A 6 8.150 7.875 -0.663 1.00 0.00 H ATOM 94 1HD1 LEU A 6 8.897 9.445 -2.396 1.00 0.00 H ATOM 95 2HD1 LEU A 6 8.604 7.821 -3.062 1.00 0.00 H ATOM 96 3HD1 LEU A 6 7.417 9.121 -3.328 1.00 0.00 H ATOM 97 1HD2 LEU A 6 7.529 10.258 -0.455 1.00 0.00 H ATOM 98 2HD2 LEU A 6 6.028 9.947 -1.361 1.00 0.00 H ATOM 99 3HD2 LEU A 6 6.272 9.206 0.239 1.00 0.00 H ATOM 100 N GLU A 7 5.625 7.177 -4.652 1.00 0.00 N ATOM 101 CA GLU A 7 5.959 7.415 -6.051 1.00 0.00 C ATOM 102 C GLU A 7 4.842 8.165 -6.765 1.00 0.00 C ATOM 103 O GLU A 7 5.098 9.054 -7.576 1.00 0.00 O ATOM 104 CB GLU A 7 6.235 6.091 -6.767 1.00 0.00 C ATOM 105 CG GLU A 7 7.539 5.418 -6.362 1.00 0.00 C ATOM 106 CD GLU A 7 7.836 4.184 -7.169 1.00 0.00 C ATOM 107 OE1 GLU A 7 6.979 3.760 -7.907 1.00 0.00 O ATOM 108 OE2 GLU A 7 8.920 3.666 -7.047 1.00 0.00 O ATOM 109 H GLU A 7 5.540 6.227 -4.320 1.00 0.00 H ATOM 110 HA GLU A 7 6.868 8.018 -6.092 1.00 0.00 H ATOM 111 1HB GLU A 7 5.422 5.393 -6.567 1.00 0.00 H ATOM 112 2HB GLU A 7 6.266 6.259 -7.843 1.00 0.00 H ATOM 113 1HG GLU A 7 8.357 6.127 -6.490 1.00 0.00 H ATOM 114 2HG GLU A 7 7.486 5.152 -5.307 1.00 0.00 H ATOM 115 N GLU A 8 3.602 7.800 -6.458 1.00 0.00 N ATOM 116 CA GLU A 8 2.442 8.439 -7.069 1.00 0.00 C ATOM 117 C GLU A 8 2.357 9.911 -6.683 1.00 0.00 C ATOM 118 O GLU A 8 2.017 10.759 -7.507 1.00 0.00 O ATOM 119 CB GLU A 8 1.156 7.718 -6.656 1.00 0.00 C ATOM 120 CG GLU A 8 0.958 6.360 -7.313 1.00 0.00 C ATOM 121 CD GLU A 8 -0.322 5.690 -6.898 1.00 0.00 C ATOM 122 OE1 GLU A 8 -0.984 6.204 -6.029 1.00 0.00 O ATOM 123 OE2 GLU A 8 -0.638 4.663 -7.451 1.00 0.00 O ATOM 124 H GLU A 8 3.458 7.061 -5.785 1.00 0.00 H ATOM 125 HA GLU A 8 2.538 8.367 -8.152 1.00 0.00 H ATOM 126 1HB GLU A 8 1.153 7.571 -5.576 1.00 0.00 H ATOM 127 2HB GLU A 8 0.295 8.339 -6.905 1.00 0.00 H ATOM 128 1HG GLU A 8 0.953 6.488 -8.395 1.00 0.00 H ATOM 129 2HG GLU A 8 1.799 5.717 -7.056 1.00 0.00 H ATOM 130 N LEU A 9 2.668 10.206 -5.425 1.00 0.00 N ATOM 131 CA LEU A 9 2.626 11.575 -4.928 1.00 0.00 C ATOM 132 C LEU A 9 3.623 12.461 -5.665 1.00 0.00 C ATOM 133 O LEU A 9 3.324 13.610 -5.991 1.00 0.00 O ATOM 134 CB LEU A 9 2.924 11.602 -3.423 1.00 0.00 C ATOM 135 CG LEU A 9 1.831 11.019 -2.518 1.00 0.00 C ATOM 136 CD1 LEU A 9 2.398 10.781 -1.125 1.00 0.00 C ATOM 137 CD2 LEU A 9 0.648 11.975 -2.471 1.00 0.00 C ATOM 138 H LEU A 9 2.942 9.463 -4.799 1.00 0.00 H ATOM 139 HA LEU A 9 1.622 11.971 -5.088 1.00 0.00 H ATOM 140 1HB LEU A 9 3.839 11.040 -3.241 1.00 0.00 H ATOM 141 2HB LEU A 9 3.090 12.635 -3.120 1.00 0.00 H ATOM 142 HG LEU A 9 1.505 10.057 -2.914 1.00 0.00 H ATOM 143 1HD1 LEU A 9 1.621 10.367 -0.482 1.00 0.00 H ATOM 144 2HD1 LEU A 9 3.230 10.079 -1.186 1.00 0.00 H ATOM 145 3HD1 LEU A 9 2.748 11.725 -0.709 1.00 0.00 H ATOM 146 1HD2 LEU A 9 -0.129 11.561 -1.829 1.00 0.00 H ATOM 147 2HD2 LEU A 9 0.973 12.937 -2.074 1.00 0.00 H ATOM 148 3HD2 LEU A 9 0.252 12.113 -3.477 1.00 0.00 H ATOM 149 N ARG A 10 4.809 11.920 -5.924 1.00 0.00 N ATOM 150 CA ARG A 10 5.857 12.665 -6.610 1.00 0.00 C ATOM 151 C ARG A 10 5.499 12.902 -8.071 1.00 0.00 C ATOM 152 O ARG A 10 5.813 13.951 -8.635 1.00 0.00 O ATOM 153 CB ARG A 10 7.182 11.921 -6.530 1.00 0.00 C ATOM 154 CG ARG A 10 7.809 11.879 -5.145 1.00 0.00 C ATOM 155 CD ARG A 10 9.081 11.113 -5.142 1.00 0.00 C ATOM 156 NE ARG A 10 10.089 11.731 -5.988 1.00 0.00 N ATOM 157 CZ ARG A 10 11.173 11.096 -6.476 1.00 0.00 C ATOM 158 NH1 ARG A 10 11.374 9.828 -6.194 1.00 0.00 N ATOM 159 NH2 ARG A 10 12.033 11.748 -7.239 1.00 0.00 N ATOM 160 H ARG A 10 4.987 10.968 -5.639 1.00 0.00 H ATOM 161 HA ARG A 10 5.975 13.631 -6.117 1.00 0.00 H ATOM 162 1HB ARG A 10 7.042 10.893 -6.860 1.00 0.00 H ATOM 163 2HB ARG A 10 7.901 12.386 -7.204 1.00 0.00 H ATOM 164 1HG ARG A 10 8.020 12.895 -4.810 1.00 0.00 H ATOM 165 2HG ARG A 10 7.120 11.402 -4.448 1.00 0.00 H ATOM 166 1HD ARG A 10 9.473 11.062 -4.127 1.00 0.00 H ATOM 167 2HD ARG A 10 8.899 10.104 -5.511 1.00 0.00 H ATOM 168 HE ARG A 10 9.969 12.706 -6.227 1.00 0.00 H ATOM 169 1HH1 ARG A 10 10.717 9.330 -5.611 1.00 0.00 H ATOM 170 2HH1 ARG A 10 12.186 9.352 -6.560 1.00 0.00 H ATOM 171 1HH2 ARG A 10 11.878 12.723 -7.456 1.00 0.00 H ATOM 172 2HH2 ARG A 10 12.845 11.272 -7.604 1.00 0.00 H ATOM 173 N ARG A 11 4.838 11.923 -8.680 1.00 0.00 N ATOM 174 CA ARG A 11 4.455 12.015 -10.083 1.00 0.00 C ATOM 175 C ARG A 11 3.343 13.035 -10.284 1.00 0.00 C ATOM 176 O ARG A 11 3.362 13.807 -11.243 1.00 0.00 O ATOM 177 CB ARG A 11 3.996 10.660 -10.602 1.00 0.00 C ATOM 178 CG ARG A 11 3.567 10.646 -12.061 1.00 0.00 C ATOM 179 CD ARG A 11 4.707 10.923 -12.972 1.00 0.00 C ATOM 180 NE ARG A 11 4.291 10.961 -14.365 1.00 0.00 N ATOM 181 CZ ARG A 11 3.803 12.051 -14.988 1.00 0.00 C ATOM 182 NH1 ARG A 11 3.675 13.182 -14.331 1.00 0.00 N ATOM 183 NH2 ARG A 11 3.452 11.983 -16.260 1.00 0.00 N ATOM 184 H ARG A 11 4.597 11.093 -8.156 1.00 0.00 H ATOM 185 HA ARG A 11 5.326 12.327 -10.660 1.00 0.00 H ATOM 186 1HB ARG A 11 4.801 9.935 -10.489 1.00 0.00 H ATOM 187 2HB ARG A 11 3.153 10.308 -10.007 1.00 0.00 H ATOM 188 1HG ARG A 11 3.159 9.666 -12.311 1.00 0.00 H ATOM 189 2HG ARG A 11 2.804 11.409 -12.223 1.00 0.00 H ATOM 190 1HD ARG A 11 5.146 11.888 -12.721 1.00 0.00 H ATOM 191 2HD ARG A 11 5.459 10.143 -12.861 1.00 0.00 H ATOM 192 HE ARG A 11 4.375 10.109 -14.903 1.00 0.00 H ATOM 193 1HH1 ARG A 11 3.943 13.234 -13.358 1.00 0.00 H ATOM 194 2HH1 ARG A 11 3.309 13.999 -14.798 1.00 0.00 H ATOM 195 1HH2 ARG A 11 3.551 11.113 -16.766 1.00 0.00 H ATOM 196 2HH2 ARG A 11 3.086 12.799 -16.727 1.00 0.00 H ATOM 197 N ARG A 12 2.374 13.035 -9.375 1.00 0.00 N ATOM 198 CA ARG A 12 1.223 13.924 -9.482 1.00 0.00 C ATOM 199 C ARG A 12 1.649 15.385 -9.427 1.00 0.00 C ATOM 200 O ARG A 12 1.126 16.223 -10.161 1.00 0.00 O ATOM 201 CB ARG A 12 0.228 13.646 -8.365 1.00 0.00 C ATOM 202 CG ARG A 12 -0.576 12.365 -8.530 1.00 0.00 C ATOM 203 CD ARG A 12 -1.462 12.120 -7.363 1.00 0.00 C ATOM 204 NE ARG A 12 -2.550 13.081 -7.296 1.00 0.00 N ATOM 205 CZ ARG A 12 -3.348 13.261 -6.225 1.00 0.00 C ATOM 206 NH1 ARG A 12 -3.166 12.538 -5.141 1.00 0.00 N ATOM 207 NH2 ARG A 12 -4.313 14.163 -6.263 1.00 0.00 N ATOM 208 H ARG A 12 2.437 12.402 -8.591 1.00 0.00 H ATOM 209 HA ARG A 12 0.730 13.739 -10.437 1.00 0.00 H ATOM 210 1HB ARG A 12 0.755 13.584 -7.415 1.00 0.00 H ATOM 211 2HB ARG A 12 -0.479 14.472 -8.294 1.00 0.00 H ATOM 212 1HG ARG A 12 -1.198 12.438 -9.422 1.00 0.00 H ATOM 213 2HG ARG A 12 0.104 11.519 -8.628 1.00 0.00 H ATOM 214 1HD ARG A 12 -1.893 11.122 -7.437 1.00 0.00 H ATOM 215 2HD ARG A 12 -0.882 12.197 -6.444 1.00 0.00 H ATOM 216 HE ARG A 12 -2.721 13.656 -8.110 1.00 0.00 H ATOM 217 1HH1 ARG A 12 -2.429 11.848 -5.112 1.00 0.00 H ATOM 218 2HH1 ARG A 12 -3.764 12.673 -4.339 1.00 0.00 H ATOM 219 1HH2 ARG A 12 -4.452 14.719 -7.096 1.00 0.00 H ATOM 220 2HH2 ARG A 12 -4.910 14.298 -5.461 1.00 0.00 H ATOM 221 N ARG A 13 2.601 15.686 -8.551 1.00 0.00 N ATOM 222 CA ARG A 13 3.110 17.045 -8.408 1.00 0.00 C ATOM 223 C ARG A 13 1.993 18.018 -8.058 1.00 0.00 C ATOM 224 O ARG A 13 1.839 19.058 -8.698 1.00 0.00 O ATOM 225 CB ARG A 13 3.790 17.499 -9.692 1.00 0.00 C ATOM 226 CG ARG A 13 5.031 16.707 -10.073 1.00 0.00 C ATOM 227 CD ARG A 13 5.615 17.184 -11.353 1.00 0.00 C ATOM 228 NE ARG A 13 6.099 18.551 -11.252 1.00 0.00 N ATOM 229 CZ ARG A 13 7.311 18.900 -10.777 1.00 0.00 C ATOM 230 NH1 ARG A 13 8.147 17.974 -10.365 1.00 0.00 N ATOM 231 NH2 ARG A 13 7.658 20.174 -10.725 1.00 0.00 N ATOM 232 H ARG A 13 2.983 14.954 -7.969 1.00 0.00 H ATOM 233 HA ARG A 13 3.845 17.056 -7.603 1.00 0.00 H ATOM 234 1HB ARG A 13 3.087 17.429 -10.520 1.00 0.00 H ATOM 235 2HB ARG A 13 4.083 18.545 -9.598 1.00 0.00 H ATOM 236 1HG ARG A 13 5.784 16.812 -9.292 1.00 0.00 H ATOM 237 2HG ARG A 13 4.770 15.654 -10.187 1.00 0.00 H ATOM 238 1HD ARG A 13 6.453 16.545 -11.631 1.00 0.00 H ATOM 239 2HD ARG A 13 4.857 17.148 -12.134 1.00 0.00 H ATOM 240 HE ARG A 13 5.483 19.292 -11.559 1.00 0.00 H ATOM 241 1HH1 ARG A 13 7.882 17.000 -10.404 1.00 0.00 H ATOM 242 2HH1 ARG A 13 9.055 18.235 -10.009 1.00 0.00 H ATOM 243 1HH2 ARG A 13 7.015 20.887 -11.042 1.00 0.00 H ATOM 244 2HH2 ARG A 13 8.566 20.436 -10.370 1.00 0.00 H ATOM 245 N VAL A 14 1.214 17.674 -7.039 1.00 0.00 N ATOM 246 CA VAL A 14 0.135 18.537 -6.572 1.00 0.00 C ATOM 247 C VAL A 14 0.337 18.934 -5.116 1.00 0.00 C ATOM 248 O VAL A 14 1.076 18.278 -4.380 1.00 0.00 O ATOM 249 CB VAL A 14 -1.223 17.826 -6.723 1.00 0.00 C ATOM 250 CG1 VAL A 14 -1.468 17.449 -8.177 1.00 0.00 C ATOM 251 CG2 VAL A 14 -1.264 16.594 -5.832 1.00 0.00 C ATOM 252 H VAL A 14 1.372 16.791 -6.574 1.00 0.00 H ATOM 253 HA VAL A 14 0.127 19.442 -7.182 1.00 0.00 H ATOM 254 HB VAL A 14 -2.017 18.513 -6.431 1.00 0.00 H ATOM 255 1HG1 VAL A 14 -2.432 16.948 -8.265 1.00 0.00 H ATOM 256 2HG1 VAL A 14 -1.470 18.350 -8.791 1.00 0.00 H ATOM 257 3HG1 VAL A 14 -0.679 16.779 -8.517 1.00 0.00 H ATOM 258 1HG2 VAL A 14 -2.227 16.097 -5.944 1.00 0.00 H ATOM 259 2HG2 VAL A 14 -0.466 15.910 -6.121 1.00 0.00 H ATOM 260 3HG2 VAL A 14 -1.128 16.892 -4.793 1.00 0.00 H ATOM 261 N GLU A 15 -0.322 20.011 -4.703 1.00 0.00 N ATOM 262 CA GLU A 15 -0.230 20.486 -3.329 1.00 0.00 C ATOM 263 C GLU A 15 -1.170 19.713 -2.413 1.00 0.00 C ATOM 264 O GLU A 15 -2.300 19.402 -2.788 1.00 0.00 O ATOM 265 CB GLU A 15 -0.549 21.981 -3.259 1.00 0.00 C ATOM 266 CG GLU A 15 -0.458 22.579 -1.862 1.00 0.00 C ATOM 267 CD GLU A 15 -0.641 24.071 -1.852 1.00 0.00 C ATOM 268 OE1 GLU A 15 -0.693 24.652 -2.909 1.00 0.00 O ATOM 269 OE2 GLU A 15 -0.729 24.631 -0.784 1.00 0.00 O ATOM 270 H GLU A 15 -0.903 20.513 -5.359 1.00 0.00 H ATOM 271 HA GLU A 15 0.794 20.342 -2.980 1.00 0.00 H ATOM 272 1HB GLU A 15 0.137 22.530 -3.904 1.00 0.00 H ATOM 273 2HB GLU A 15 -1.559 22.155 -3.632 1.00 0.00 H ATOM 274 1HG GLU A 15 -1.224 22.126 -1.233 1.00 0.00 H ATOM 275 2HG GLU A 15 0.514 22.334 -1.436 1.00 0.00 H ATOM 276 N TRP A 16 -0.696 19.404 -1.210 1.00 0.00 N ATOM 277 CA TRP A 16 -1.540 18.802 -0.186 1.00 0.00 C ATOM 278 C TRP A 16 -1.599 19.673 1.063 1.00 0.00 C ATOM 279 O TRP A 16 -0.626 20.343 1.409 1.00 0.00 O ATOM 280 CB TRP A 16 -1.020 17.411 0.182 1.00 0.00 C ATOM 281 CG TRP A 16 -0.787 16.525 -1.005 1.00 0.00 C ATOM 282 CD1 TRP A 16 -1.673 15.646 -1.552 1.00 0.00 C ATOM 283 CD2 TRP A 16 0.418 16.429 -1.802 1.00 0.00 C ATOM 284 NE1 TRP A 16 -1.105 15.011 -2.629 1.00 0.00 N ATOM 285 CE2 TRP A 16 0.174 15.479 -2.797 1.00 0.00 C ATOM 286 CE3 TRP A 16 1.665 17.064 -1.751 1.00 0.00 C ATOM 287 CZ2 TRP A 16 1.132 15.141 -3.740 1.00 0.00 C ATOM 288 CZ3 TRP A 16 2.626 16.726 -2.697 1.00 0.00 C ATOM 289 CH2 TRP A 16 2.365 15.790 -3.666 1.00 0.00 C ATOM 290 H TRP A 16 0.274 19.592 -1.001 1.00 0.00 H ATOM 291 HA TRP A 16 -2.550 18.697 -0.586 1.00 0.00 H ATOM 292 1HB TRP A 16 -0.081 17.506 0.728 1.00 0.00 H ATOM 293 2HB TRP A 16 -1.734 16.918 0.842 1.00 0.00 H ATOM 294 HD1 TRP A 16 -2.684 15.473 -1.188 1.00 0.00 H ATOM 295 HE1 TRP A 16 -1.554 14.313 -3.204 1.00 0.00 H ATOM 296 HE3 TRP A 16 1.877 17.810 -0.986 1.00 0.00 H ATOM 297 HZ2 TRP A 16 0.944 14.400 -4.517 1.00 0.00 H ATOM 298 HZ3 TRP A 16 3.594 17.225 -2.651 1.00 0.00 H ATOM 299 HH2 TRP A 16 3.141 15.549 -4.393 1.00 0.00 H ATOM 300 N THR A 17 -2.745 19.659 1.734 1.00 0.00 N ATOM 301 CA THR A 17 -2.854 20.220 3.075 1.00 0.00 C ATOM 302 C THR A 17 -3.153 19.137 4.103 1.00 0.00 C ATOM 303 O THR A 17 -4.203 18.495 4.054 1.00 0.00 O ATOM 304 CB THR A 17 -3.944 21.306 3.136 1.00 0.00 C ATOM 305 OG1 THR A 17 -3.616 22.367 2.228 1.00 0.00 O ATOM 306 CG2 THR A 17 -4.060 21.867 4.544 1.00 0.00 C ATOM 307 H THR A 17 -3.563 19.250 1.304 1.00 0.00 H ATOM 308 HA THR A 17 -1.904 20.692 3.331 1.00 0.00 H ATOM 309 HB THR A 17 -4.901 20.877 2.841 1.00 0.00 H ATOM 310 HG1 THR A 17 -3.757 22.070 1.326 1.00 0.00 H ATOM 311 1HG2 THR A 17 -4.836 22.633 4.568 1.00 0.00 H ATOM 312 2HG2 THR A 17 -4.321 21.065 5.235 1.00 0.00 H ATOM 313 3HG2 THR A 17 -3.109 22.306 4.841 1.00 0.00 H ATOM 314 N ILE A 18 -2.225 18.937 5.033 1.00 0.00 N ATOM 315 CA ILE A 18 -2.337 17.860 6.009 1.00 0.00 C ATOM 316 C ILE A 18 -2.466 18.410 7.423 1.00 0.00 C ATOM 317 O ILE A 18 -1.572 19.098 7.916 1.00 0.00 O ATOM 318 CB ILE A 18 -1.121 16.919 5.932 1.00 0.00 C ATOM 319 CG1 ILE A 18 -0.935 16.402 4.503 1.00 0.00 C ATOM 320 CG2 ILE A 18 -1.282 15.761 6.904 1.00 0.00 C ATOM 321 CD1 ILE A 18 -2.103 15.591 3.991 1.00 0.00 C ATOM 322 H ILE A 18 -1.421 19.548 5.064 1.00 0.00 H ATOM 323 HA ILE A 18 -3.228 17.275 5.778 1.00 0.00 H ATOM 324 HB ILE A 18 -0.217 17.472 6.187 1.00 0.00 H ATOM 325 1HG1 ILE A 18 -0.783 17.244 3.828 1.00 0.00 H ATOM 326 2HG1 ILE A 18 -0.042 15.779 4.454 1.00 0.00 H ATOM 327 1HG2 ILE A 18 -0.414 15.105 6.836 1.00 0.00 H ATOM 328 2HG2 ILE A 18 -1.366 16.147 7.919 1.00 0.00 H ATOM 329 3HG2 ILE A 18 -2.181 15.198 6.654 1.00 0.00 H ATOM 330 1HD1 ILE A 18 -1.898 15.259 2.973 1.00 0.00 H ATOM 331 2HD1 ILE A 18 -2.252 14.722 4.632 1.00 0.00 H ATOM 332 3HD1 ILE A 18 -3.003 16.205 3.997 1.00 0.00 H ATOM 333 N ARG A 19 -3.584 18.102 8.073 1.00 0.00 N ATOM 334 CA ARG A 19 -3.915 18.706 9.358 1.00 0.00 C ATOM 335 C ARG A 19 -3.853 17.679 10.482 1.00 0.00 C ATOM 336 O ARG A 19 -4.602 16.703 10.484 1.00 0.00 O ATOM 337 CB ARG A 19 -5.304 19.324 9.316 1.00 0.00 C ATOM 338 CG ARG A 19 -5.486 20.419 8.277 1.00 0.00 C ATOM 339 CD ARG A 19 -6.892 20.895 8.221 1.00 0.00 C ATOM 340 NE ARG A 19 -7.110 21.811 7.113 1.00 0.00 N ATOM 341 CZ ARG A 19 -6.863 23.134 7.153 1.00 0.00 C ATOM 342 NH1 ARG A 19 -6.390 23.681 8.251 1.00 0.00 N ATOM 343 NH2 ARG A 19 -7.096 23.883 6.089 1.00 0.00 N ATOM 344 H ARG A 19 -4.221 17.432 7.666 1.00 0.00 H ATOM 345 HA ARG A 19 -3.192 19.495 9.565 1.00 0.00 H ATOM 346 1HB ARG A 19 -6.041 18.549 9.110 1.00 0.00 H ATOM 347 2HB ARG A 19 -5.542 19.751 10.291 1.00 0.00 H ATOM 348 1HG ARG A 19 -4.846 21.267 8.526 1.00 0.00 H ATOM 349 2HG ARG A 19 -5.214 20.036 7.293 1.00 0.00 H ATOM 350 1HD ARG A 19 -7.559 20.044 8.097 1.00 0.00 H ATOM 351 2HD ARG A 19 -7.136 21.416 9.146 1.00 0.00 H ATOM 352 HE ARG A 19 -7.474 21.427 6.251 1.00 0.00 H ATOM 353 1HH1 ARG A 19 -6.212 23.109 9.064 1.00 0.00 H ATOM 354 2HH1 ARG A 19 -6.204 24.673 8.282 1.00 0.00 H ATOM 355 1HH2 ARG A 19 -7.460 23.463 5.245 1.00 0.00 H ATOM 356 2HH2 ARG A 19 -6.911 24.875 6.120 1.00 0.00 H ATOM 357 N VAL A 20 -2.955 17.907 11.434 1.00 0.00 N ATOM 358 CA VAL A 20 -2.776 16.988 12.552 1.00 0.00 C ATOM 359 C VAL A 20 -2.824 17.726 13.885 1.00 0.00 C ATOM 360 O VAL A 20 -1.915 18.487 14.217 1.00 0.00 O ATOM 361 CB VAL A 20 -1.431 16.249 12.426 1.00 0.00 C ATOM 362 CG1 VAL A 20 -1.275 15.231 13.547 1.00 0.00 C ATOM 363 CG2 VAL A 20 -1.337 15.573 11.067 1.00 0.00 C ATOM 364 H VAL A 20 -2.382 18.737 11.383 1.00 0.00 H ATOM 365 HA VAL A 20 -3.583 16.254 12.531 1.00 0.00 H ATOM 366 HB VAL A 20 -0.620 16.969 12.532 1.00 0.00 H ATOM 367 1HG1 VAL A 20 -0.318 14.719 13.443 1.00 0.00 H ATOM 368 2HG1 VAL A 20 -1.309 15.742 14.509 1.00 0.00 H ATOM 369 3HG1 VAL A 20 -2.084 14.503 13.492 1.00 0.00 H ATOM 370 1HG2 VAL A 20 -0.383 15.053 10.985 1.00 0.00 H ATOM 371 2HG2 VAL A 20 -2.151 14.856 10.960 1.00 0.00 H ATOM 372 3HG2 VAL A 20 -1.409 16.325 10.281 1.00 0.00 H ATOM 373 N GLY A 21 -3.890 17.496 14.645 1.00 0.00 N ATOM 374 CA GLY A 21 -4.127 18.238 15.877 1.00 0.00 C ATOM 375 C GLY A 21 -4.446 19.699 15.587 1.00 0.00 C ATOM 376 O GLY A 21 -5.346 20.004 14.805 1.00 0.00 O ATOM 377 H GLY A 21 -4.553 16.789 14.361 1.00 0.00 H ATOM 378 1HA GLY A 21 -4.953 17.783 16.424 1.00 0.00 H ATOM 379 2HA GLY A 21 -3.246 18.174 16.515 1.00 0.00 H ATOM 380 N ASP A 22 -3.704 20.599 16.223 1.00 0.00 N ATOM 381 CA ASP A 22 -3.947 22.030 16.082 1.00 0.00 C ATOM 382 C ASP A 22 -2.947 22.667 15.127 1.00 0.00 C ATOM 383 O ASP A 22 -2.872 23.891 15.016 1.00 0.00 O ATOM 384 CB ASP A 22 -3.872 22.724 17.445 1.00 0.00 C ATOM 385 CG ASP A 22 -2.497 22.615 18.090 1.00 0.00 C ATOM 386 OD1 ASP A 22 -1.641 21.984 17.516 1.00 0.00 O ATOM 387 OD2 ASP A 22 -2.316 23.165 19.150 1.00 0.00 O ATOM 388 H ASP A 22 -2.951 20.284 16.819 1.00 0.00 H ATOM 389 HA ASP A 22 -4.952 22.172 15.683 1.00 0.00 H ATOM 390 1HB ASP A 22 -4.122 23.779 17.331 1.00 0.00 H ATOM 391 2HB ASP A 22 -4.609 22.284 18.118 1.00 0.00 H ATOM 392 N THR A 23 -2.179 21.831 14.437 1.00 0.00 N ATOM 393 CA THR A 23 -1.116 22.310 13.563 1.00 0.00 C ATOM 394 C THR A 23 -1.301 21.801 12.139 1.00 0.00 C ATOM 395 O THR A 23 -1.615 20.631 11.924 1.00 0.00 O ATOM 396 CB THR A 23 0.268 21.885 14.088 1.00 0.00 C ATOM 397 OG1 THR A 23 0.480 22.446 15.390 1.00 0.00 O ATOM 398 CG2 THR A 23 1.365 22.363 13.149 1.00 0.00 C ATOM 399 H THR A 23 -2.337 20.836 14.521 1.00 0.00 H ATOM 400 HA THR A 23 -1.143 23.400 13.550 1.00 0.00 H ATOM 401 HB THR A 23 0.310 20.799 14.164 1.00 0.00 H ATOM 402 HG1 THR A 23 -0.168 22.088 16.002 1.00 0.00 H ATOM 403 1HG2 THR A 23 2.335 22.054 13.536 1.00 0.00 H ATOM 404 2HG2 THR A 23 1.213 21.929 12.161 1.00 0.00 H ATOM 405 3HG2 THR A 23 1.334 23.450 13.077 1.00 0.00 H ATOM 406 N THR A 24 -1.104 22.686 11.168 1.00 0.00 N ATOM 407 CA THR A 24 -1.251 22.328 9.763 1.00 0.00 C ATOM 408 C THR A 24 0.099 22.295 9.058 1.00 0.00 C ATOM 409 O THR A 24 0.916 23.202 9.219 1.00 0.00 O ATOM 410 CB THR A 24 -2.189 23.310 9.036 1.00 0.00 C ATOM 411 OG1 THR A 24 -3.468 23.320 9.683 1.00 0.00 O ATOM 412 CG2 THR A 24 -2.365 22.902 7.581 1.00 0.00 C ATOM 413 H THR A 24 -0.845 23.632 11.411 1.00 0.00 H ATOM 414 HA THR A 24 -1.701 21.337 9.704 1.00 0.00 H ATOM 415 HB THR A 24 -1.768 24.314 9.078 1.00 0.00 H ATOM 416 HG1 THR A 24 -3.413 23.835 10.492 1.00 0.00 H ATOM 417 1HG2 THR A 24 -3.030 23.607 7.084 1.00 0.00 H ATOM 418 2HG2 THR A 24 -1.395 22.905 7.083 1.00 0.00 H ATOM 419 3HG2 THR A 24 -2.794 21.903 7.533 1.00 0.00 H ATOM 420 N TRP A 25 0.328 21.245 8.279 1.00 0.00 N ATOM 421 CA TRP A 25 1.554 21.121 7.499 1.00 0.00 C ATOM 422 C TRP A 25 1.306 21.434 6.029 1.00 0.00 C ATOM 423 O TRP A 25 0.254 21.102 5.483 1.00 0.00 O ATOM 424 CB TRP A 25 2.131 19.710 7.635 1.00 0.00 C ATOM 425 CG TRP A 25 2.920 19.505 8.893 1.00 0.00 C ATOM 426 CD1 TRP A 25 4.277 19.473 9.008 1.00 0.00 C ATOM 427 CD2 TRP A 25 2.399 19.300 10.228 1.00 0.00 C ATOM 428 NE1 TRP A 25 4.636 19.263 10.316 1.00 0.00 N ATOM 429 CE2 TRP A 25 3.499 19.156 11.077 1.00 0.00 C ATOM 430 CE3 TRP A 25 1.106 19.230 10.763 1.00 0.00 C ATOM 431 CZ2 TRP A 25 3.352 18.943 12.439 1.00 0.00 C ATOM 432 CZ3 TRP A 25 0.959 19.017 12.129 1.00 0.00 C ATOM 433 CH2 TRP A 25 2.054 18.878 12.944 1.00 0.00 C ATOM 434 H TRP A 25 -0.366 20.513 8.223 1.00 0.00 H ATOM 435 HA TRP A 25 2.285 21.831 7.889 1.00 0.00 H ATOM 436 1HB TRP A 25 1.321 18.982 7.615 1.00 0.00 H ATOM 437 2HB TRP A 25 2.781 19.500 6.785 1.00 0.00 H ATOM 438 HD1 TRP A 25 4.975 19.596 8.182 1.00 0.00 H ATOM 439 HE1 TRP A 25 5.582 19.196 10.664 1.00 0.00 H ATOM 440 HE3 TRP A 25 0.234 19.343 10.120 1.00 0.00 H ATOM 441 HZ2 TRP A 25 4.209 18.829 13.103 1.00 0.00 H ATOM 442 HZ3 TRP A 25 -0.050 18.963 12.537 1.00 0.00 H ATOM 443 HH2 TRP A 25 1.902 18.713 14.011 1.00 0.00 H ATOM 444 N THR A 26 2.282 22.074 5.393 1.00 0.00 N ATOM 445 CA THR A 26 2.299 22.194 3.940 1.00 0.00 C ATOM 446 C THR A 26 3.293 21.219 3.320 1.00 0.00 C ATOM 447 O THR A 26 4.486 21.258 3.623 1.00 0.00 O ATOM 448 CB THR A 26 2.644 23.630 3.505 1.00 0.00 C ATOM 449 OG1 THR A 26 1.650 24.535 4.005 1.00 0.00 O ATOM 450 CG2 THR A 26 2.697 23.731 1.988 1.00 0.00 C ATOM 451 H THR A 26 3.029 22.490 5.930 1.00 0.00 H ATOM 452 HA THR A 26 1.303 21.964 3.561 1.00 0.00 H ATOM 453 HB THR A 26 3.613 23.913 3.917 1.00 0.00 H ATOM 454 HG1 THR A 26 1.754 24.629 4.955 1.00 0.00 H ATOM 455 1HG2 THR A 26 2.942 24.753 1.700 1.00 0.00 H ATOM 456 2HG2 THR A 26 3.460 23.052 1.606 1.00 0.00 H ATOM 457 3HG2 THR A 26 1.728 23.459 1.572 1.00 0.00 H ATOM 458 N ILE A 27 2.795 20.348 2.450 1.00 0.00 N ATOM 459 CA ILE A 27 3.604 19.266 1.901 1.00 0.00 C ATOM 460 C ILE A 27 4.093 19.602 0.498 1.00 0.00 C ATOM 461 O ILE A 27 3.295 19.874 -0.399 1.00 0.00 O ATOM 462 CB ILE A 27 2.808 17.948 1.865 1.00 0.00 C ATOM 463 CG1 ILE A 27 2.243 17.628 3.252 1.00 0.00 C ATOM 464 CG2 ILE A 27 3.686 16.810 1.369 1.00 0.00 C ATOM 465 CD1 ILE A 27 3.296 17.529 4.332 1.00 0.00 C ATOM 466 H ILE A 27 1.831 20.436 2.162 1.00 0.00 H ATOM 467 HA ILE A 27 4.470 19.119 2.546 1.00 0.00 H ATOM 468 HB ILE A 27 1.956 18.056 1.195 1.00 0.00 H ATOM 469 1HG1 ILE A 27 1.530 18.399 3.541 1.00 0.00 H ATOM 470 2HG1 ILE A 27 1.703 16.682 3.216 1.00 0.00 H ATOM 471 1HG2 ILE A 27 3.108 15.886 1.351 1.00 0.00 H ATOM 472 2HG2 ILE A 27 4.040 17.035 0.364 1.00 0.00 H ATOM 473 3HG2 ILE A 27 4.539 16.691 2.037 1.00 0.00 H ATOM 474 1HD1 ILE A 27 2.819 17.299 5.285 1.00 0.00 H ATOM 475 2HD1 ILE A 27 4.002 16.737 4.080 1.00 0.00 H ATOM 476 3HD1 ILE A 27 3.826 18.477 4.411 1.00 0.00 H ATOM 477 N ARG A 28 5.408 19.581 0.313 1.00 0.00 N ATOM 478 CA ARG A 28 6.013 20.008 -0.942 1.00 0.00 C ATOM 479 C ARG A 28 6.154 18.841 -1.912 1.00 0.00 C ATOM 480 O ARG A 28 6.440 17.715 -1.506 1.00 0.00 O ATOM 481 CB ARG A 28 7.381 20.625 -0.694 1.00 0.00 C ATOM 482 CG ARG A 28 7.364 21.914 0.112 1.00 0.00 C ATOM 483 CD ARG A 28 8.735 22.443 0.332 1.00 0.00 C ATOM 484 NE ARG A 28 9.522 21.569 1.186 1.00 0.00 N ATOM 485 CZ ARG A 28 10.869 21.542 1.221 1.00 0.00 C ATOM 486 NH1 ARG A 28 11.562 22.346 0.445 1.00 0.00 N ATOM 487 NH2 ARG A 28 11.493 20.709 2.035 1.00 0.00 N ATOM 488 H ARG A 28 6.004 19.259 1.062 1.00 0.00 H ATOM 489 HA ARG A 28 5.370 20.764 -1.396 1.00 0.00 H ATOM 490 1HB ARG A 28 8.011 19.913 -0.164 1.00 0.00 H ATOM 491 2HB ARG A 28 7.862 20.840 -1.649 1.00 0.00 H ATOM 492 1HG ARG A 28 6.787 22.670 -0.422 1.00 0.00 H ATOM 493 2HG ARG A 28 6.908 21.729 1.085 1.00 0.00 H ATOM 494 1HD ARG A 28 9.247 22.535 -0.625 1.00 0.00 H ATOM 495 2HD ARG A 28 8.676 23.421 0.807 1.00 0.00 H ATOM 496 HE ARG A 28 9.024 20.936 1.798 1.00 0.00 H ATOM 497 1HH1 ARG A 28 11.085 22.983 -0.177 1.00 0.00 H ATOM 498 2HH1 ARG A 28 12.571 22.326 0.471 1.00 0.00 H ATOM 499 1HH2 ARG A 28 10.960 20.091 2.632 1.00 0.00 H ATOM 500 2HH2 ARG A 28 12.501 20.690 2.061 1.00 0.00 H ATOM 501 N ILE A 29 5.950 19.118 -3.195 1.00 0.00 N ATOM 502 CA ILE A 29 6.063 18.094 -4.227 1.00 0.00 C ATOM 503 C ILE A 29 7.519 17.718 -4.472 1.00 0.00 C ATOM 504 O ILE A 29 8.388 18.587 -4.561 1.00 0.00 O ATOM 505 CB ILE A 29 5.426 18.569 -5.545 1.00 0.00 C ATOM 506 CG1 ILE A 29 6.217 19.744 -6.128 1.00 0.00 C ATOM 507 CG2 ILE A 29 3.973 18.960 -5.323 1.00 0.00 C ATOM 508 CD1 ILE A 29 5.813 20.113 -7.537 1.00 0.00 C ATOM 509 H ILE A 29 5.710 20.061 -3.464 1.00 0.00 H ATOM 510 HA ILE A 29 5.525 17.205 -3.894 1.00 0.00 H ATOM 511 HB ILE A 29 5.468 17.766 -6.280 1.00 0.00 H ATOM 512 1HG1 ILE A 29 6.085 20.620 -5.494 1.00 0.00 H ATOM 513 2HG1 ILE A 29 7.280 19.501 -6.131 1.00 0.00 H ATOM 514 1HG2 ILE A 29 3.538 19.294 -6.264 1.00 0.00 H ATOM 515 2HG2 ILE A 29 3.418 18.099 -4.952 1.00 0.00 H ATOM 516 3HG2 ILE A 29 3.921 19.768 -4.592 1.00 0.00 H ATOM 517 1HD1 ILE A 29 6.418 20.952 -7.881 1.00 0.00 H ATOM 518 2HD1 ILE A 29 5.970 19.258 -8.196 1.00 0.00 H ATOM 519 3HD1 ILE A 29 4.761 20.394 -7.552 1.00 0.00 H ATOM 520 N GLY A 30 7.780 16.420 -4.582 1.00 0.00 N ATOM 521 CA GLY A 30 9.110 15.932 -4.927 1.00 0.00 C ATOM 522 C GLY A 30 9.962 15.729 -3.681 1.00 0.00 C ATOM 523 O GLY A 30 11.109 15.291 -3.766 1.00 0.00 O ATOM 524 H GLY A 30 7.038 15.754 -4.422 1.00 0.00 H ATOM 525 1HA GLY A 30 9.024 14.991 -5.470 1.00 0.00 H ATOM 526 2HA GLY A 30 9.597 16.645 -5.593 1.00 0.00 H ATOM 527 N VAL A 31 9.395 16.049 -2.523 1.00 0.00 N ATOM 528 CA VAL A 31 10.105 15.913 -1.258 1.00 0.00 C ATOM 529 C VAL A 31 9.686 14.645 -0.524 1.00 0.00 C ATOM 530 O VAL A 31 8.624 14.597 0.095 1.00 0.00 O ATOM 531 CB VAL A 31 9.836 17.135 -0.360 1.00 0.00 C ATOM 532 CG1 VAL A 31 10.582 17.002 0.959 1.00 0.00 C ATOM 533 CG2 VAL A 31 10.243 18.410 -1.084 1.00 0.00 C ATOM 534 H VAL A 31 8.447 16.397 -2.520 1.00 0.00 H ATOM 535 HA VAL A 31 11.174 15.859 -1.465 1.00 0.00 H ATOM 536 HB VAL A 31 8.772 17.174 -0.124 1.00 0.00 H ATOM 537 1HG1 VAL A 31 10.380 17.874 1.582 1.00 0.00 H ATOM 538 2HG1 VAL A 31 10.249 16.103 1.477 1.00 0.00 H ATOM 539 3HG1 VAL A 31 11.653 16.935 0.766 1.00 0.00 H ATOM 540 1HG2 VAL A 31 10.050 19.270 -0.443 1.00 0.00 H ATOM 541 2HG2 VAL A 31 11.306 18.368 -1.324 1.00 0.00 H ATOM 542 3HG2 VAL A 31 9.667 18.505 -2.004 1.00 0.00 H ATOM 543 N GLU A 32 10.527 13.619 -0.599 1.00 0.00 N ATOM 544 CA GLU A 32 10.169 12.297 -0.099 1.00 0.00 C ATOM 545 C GLU A 32 9.884 12.334 1.398 1.00 0.00 C ATOM 546 O GLU A 32 8.986 11.646 1.884 1.00 0.00 O ATOM 547 CB GLU A 32 11.289 11.295 -0.390 1.00 0.00 C ATOM 548 CG GLU A 32 10.997 9.874 0.072 1.00 0.00 C ATOM 549 CD GLU A 32 12.045 8.890 -0.367 1.00 0.00 C ATOM 550 OE1 GLU A 32 12.964 9.290 -1.040 1.00 0.00 O ATOM 551 OE2 GLU A 32 11.926 7.736 -0.028 1.00 0.00 O ATOM 552 H GLU A 32 11.437 13.758 -1.013 1.00 0.00 H ATOM 553 HA GLU A 32 9.271 11.962 -0.618 1.00 0.00 H ATOM 554 1HB GLU A 32 11.480 11.265 -1.463 1.00 0.00 H ATOM 555 2HB GLU A 32 12.207 11.623 0.097 1.00 0.00 H ATOM 556 1HG GLU A 32 10.936 9.862 1.160 1.00 0.00 H ATOM 557 2HG GLU A 32 10.029 9.567 -0.322 1.00 0.00 H ATOM 558 N GLU A 33 10.653 13.138 2.122 1.00 0.00 N ATOM 559 CA GLU A 33 10.560 13.184 3.577 1.00 0.00 C ATOM 560 C GLU A 33 9.182 13.655 4.025 1.00 0.00 C ATOM 561 O GLU A 33 8.600 13.103 4.958 1.00 0.00 O ATOM 562 CB GLU A 33 11.637 14.106 4.152 1.00 0.00 C ATOM 563 CG GLU A 33 13.057 13.573 4.019 1.00 0.00 C ATOM 564 CD GLU A 33 13.662 13.851 2.671 1.00 0.00 C ATOM 565 OE1 GLU A 33 13.097 14.624 1.936 1.00 0.00 O ATOM 566 OE2 GLU A 33 14.691 13.290 2.377 1.00 0.00 O ATOM 567 H GLU A 33 11.321 13.734 1.654 1.00 0.00 H ATOM 568 HA GLU A 33 10.729 12.179 3.965 1.00 0.00 H ATOM 569 1HB GLU A 33 11.594 15.073 3.651 1.00 0.00 H ATOM 570 2HB GLU A 33 11.442 14.277 5.211 1.00 0.00 H ATOM 571 1HG GLU A 33 13.680 14.033 4.786 1.00 0.00 H ATOM 572 2HG GLU A 33 13.048 12.498 4.194 1.00 0.00 H ATOM 573 N LEU A 34 8.666 14.679 3.353 1.00 0.00 N ATOM 574 CA LEU A 34 7.364 15.241 3.696 1.00 0.00 C ATOM 575 C LEU A 34 6.232 14.371 3.164 1.00 0.00 C ATOM 576 O LEU A 34 5.191 14.231 3.806 1.00 0.00 O ATOM 577 CB LEU A 34 7.233 16.661 3.132 1.00 0.00 C ATOM 578 CG LEU A 34 8.155 17.714 3.760 1.00 0.00 C ATOM 579 CD1 LEU A 34 7.983 19.040 3.032 1.00 0.00 C ATOM 580 CD2 LEU A 34 7.830 17.856 5.240 1.00 0.00 C ATOM 581 H LEU A 34 9.188 15.078 2.587 1.00 0.00 H ATOM 582 HA LEU A 34 7.284 15.293 4.782 1.00 0.00 H ATOM 583 1HB LEU A 34 7.444 16.632 2.064 1.00 0.00 H ATOM 584 2HB LEU A 34 6.205 16.997 3.269 1.00 0.00 H ATOM 585 HG LEU A 34 9.194 17.403 3.645 1.00 0.00 H ATOM 586 1HD1 LEU A 34 8.638 19.788 3.479 1.00 0.00 H ATOM 587 2HD1 LEU A 34 8.241 18.915 1.981 1.00 0.00 H ATOM 588 3HD1 LEU A 34 6.948 19.369 3.116 1.00 0.00 H ATOM 589 1HD2 LEU A 34 8.486 18.603 5.686 1.00 0.00 H ATOM 590 2HD2 LEU A 34 6.792 18.168 5.356 1.00 0.00 H ATOM 591 3HD2 LEU A 34 7.979 16.898 5.738 1.00 0.00 H ATOM 592 N LEU A 35 6.442 13.789 1.989 1.00 0.00 N ATOM 593 CA LEU A 35 5.434 12.943 1.362 1.00 0.00 C ATOM 594 C LEU A 35 5.242 11.647 2.139 1.00 0.00 C ATOM 595 O LEU A 35 4.134 11.115 2.214 1.00 0.00 O ATOM 596 CB LEU A 35 5.834 12.624 -0.084 1.00 0.00 C ATOM 597 CG LEU A 35 5.807 13.808 -1.059 1.00 0.00 C ATOM 598 CD1 LEU A 35 6.288 13.350 -2.429 1.00 0.00 C ATOM 599 CD2 LEU A 35 4.395 14.371 -1.135 1.00 0.00 C ATOM 600 H LEU A 35 7.322 13.936 1.516 1.00 0.00 H ATOM 601 HA LEU A 35 4.488 13.485 1.346 1.00 0.00 H ATOM 602 1HB LEU A 35 6.845 12.219 -0.084 1.00 0.00 H ATOM 603 2HB LEU A 35 5.159 11.860 -0.472 1.00 0.00 H ATOM 604 HG LEU A 35 6.488 14.584 -0.708 1.00 0.00 H ATOM 605 1HD1 LEU A 35 6.269 14.192 -3.121 1.00 0.00 H ATOM 606 2HD1 LEU A 35 7.307 12.971 -2.349 1.00 0.00 H ATOM 607 3HD1 LEU A 35 5.634 12.562 -2.799 1.00 0.00 H ATOM 608 1HD2 LEU A 35 4.376 15.214 -1.827 1.00 0.00 H ATOM 609 2HD2 LEU A 35 3.713 13.597 -1.487 1.00 0.00 H ATOM 610 3HD2 LEU A 35 4.084 14.707 -0.145 1.00 0.00 H ATOM 611 N ARG A 36 6.327 11.142 2.715 1.00 0.00 N ATOM 612 CA ARG A 36 6.266 9.951 3.554 1.00 0.00 C ATOM 613 C ARG A 36 5.504 10.223 4.844 1.00 0.00 C ATOM 614 O ARG A 36 4.742 9.380 5.316 1.00 0.00 O ATOM 615 CB ARG A 36 7.667 9.459 3.890 1.00 0.00 C ATOM 616 CG ARG A 36 7.720 8.115 4.597 1.00 0.00 C ATOM 617 CD ARG A 36 7.226 7.016 3.728 1.00 0.00 C ATOM 618 NE ARG A 36 7.173 5.747 4.435 1.00 0.00 N ATOM 619 CZ ARG A 36 6.128 5.326 5.174 1.00 0.00 C ATOM 620 NH1 ARG A 36 5.059 6.083 5.292 1.00 0.00 N ATOM 621 NH2 ARG A 36 6.176 4.153 5.780 1.00 0.00 N ATOM 622 H ARG A 36 7.218 11.596 2.569 1.00 0.00 H ATOM 623 HA ARG A 36 5.749 9.166 3.002 1.00 0.00 H ATOM 624 1HB ARG A 36 8.251 9.374 2.975 1.00 0.00 H ATOM 625 2HB ARG A 36 8.164 10.189 4.529 1.00 0.00 H ATOM 626 1HG ARG A 36 8.750 7.893 4.879 1.00 0.00 H ATOM 627 2HG ARG A 36 7.098 8.150 5.493 1.00 0.00 H ATOM 628 1HD ARG A 36 6.222 7.254 3.377 1.00 0.00 H ATOM 629 2HD ARG A 36 7.891 6.902 2.873 1.00 0.00 H ATOM 630 HE ARG A 36 7.977 5.137 4.368 1.00 0.00 H ATOM 631 1HH1 ARG A 36 5.022 6.980 4.829 1.00 0.00 H ATOM 632 2HH1 ARG A 36 4.276 5.768 5.846 1.00 0.00 H ATOM 633 1HH2 ARG A 36 6.998 3.571 5.689 1.00 0.00 H ATOM 634 2HH2 ARG A 36 5.394 3.838 6.333 1.00 0.00 H ATOM 635 N TRP A 37 5.715 11.407 5.411 1.00 0.00 N ATOM 636 CA TRP A 37 4.922 11.865 6.546 1.00 0.00 C ATOM 637 C TRP A 37 3.455 12.017 6.167 1.00 0.00 C ATOM 638 O TRP A 37 2.566 11.606 6.912 1.00 0.00 O ATOM 639 CB TRP A 37 5.459 13.199 7.067 1.00 0.00 C ATOM 640 CG TRP A 37 4.789 13.663 8.325 1.00 0.00 C ATOM 641 CD1 TRP A 37 5.105 13.299 9.599 1.00 0.00 C ATOM 642 CD2 TRP A 37 3.679 14.587 8.435 1.00 0.00 C ATOM 643 NE1 TRP A 37 4.272 13.927 10.491 1.00 0.00 N ATOM 644 CE2 TRP A 37 3.394 14.721 9.797 1.00 0.00 C ATOM 645 CE3 TRP A 37 2.917 15.301 7.502 1.00 0.00 C ATOM 646 CZ2 TRP A 37 2.374 15.539 10.256 1.00 0.00 C ATOM 647 CZ3 TRP A 37 1.895 16.123 7.963 1.00 0.00 C ATOM 648 CH2 TRP A 37 1.632 16.239 9.304 1.00 0.00 C ATOM 649 H TRP A 37 6.444 12.004 5.047 1.00 0.00 H ATOM 650 HA TRP A 37 5.003 11.126 7.345 1.00 0.00 H ATOM 651 1HB TRP A 37 6.528 13.111 7.261 1.00 0.00 H ATOM 652 2HB TRP A 37 5.327 13.967 6.305 1.00 0.00 H ATOM 653 HD1 TRP A 37 5.902 12.609 9.870 1.00 0.00 H ATOM 654 HE1 TRP A 37 4.299 13.823 11.495 1.00 0.00 H ATOM 655 HE3 TRP A 37 3.123 15.214 6.436 1.00 0.00 H ATOM 656 HZ2 TRP A 37 2.149 15.645 11.317 1.00 0.00 H ATOM 657 HZ3 TRP A 37 1.306 16.675 7.229 1.00 0.00 H ATOM 658 HH2 TRP A 37 0.823 16.893 9.631 1.00 0.00 H ATOM 659 N LEU A 38 3.207 12.609 5.004 1.00 0.00 N ATOM 660 CA LEU A 38 1.853 12.734 4.480 1.00 0.00 C ATOM 661 C LEU A 38 1.129 11.393 4.500 1.00 0.00 C ATOM 662 O LEU A 38 -0.016 11.301 4.941 1.00 0.00 O ATOM 663 CB LEU A 38 1.886 13.283 3.049 1.00 0.00 C ATOM 664 CG LEU A 38 0.522 13.440 2.364 1.00 0.00 C ATOM 665 CD1 LEU A 38 0.618 14.504 1.279 1.00 0.00 C ATOM 666 CD2 LEU A 38 0.089 12.103 1.782 1.00 0.00 C ATOM 667 H LEU A 38 3.978 12.983 4.468 1.00 0.00 H ATOM 668 HA LEU A 38 1.303 13.436 5.107 1.00 0.00 H ATOM 669 1HB LEU A 38 2.364 14.261 3.063 1.00 0.00 H ATOM 670 2HB LEU A 38 2.490 12.615 2.434 1.00 0.00 H ATOM 671 HG LEU A 38 -0.215 13.775 3.095 1.00 0.00 H ATOM 672 1HD1 LEU A 38 -0.351 14.617 0.793 1.00 0.00 H ATOM 673 2HD1 LEU A 38 0.911 15.455 1.726 1.00 0.00 H ATOM 674 3HD1 LEU A 38 1.361 14.205 0.541 1.00 0.00 H ATOM 675 1HD2 LEU A 38 -0.881 12.215 1.297 1.00 0.00 H ATOM 676 2HD2 LEU A 38 0.825 11.769 1.051 1.00 0.00 H ATOM 677 3HD2 LEU A 38 0.011 11.366 2.582 1.00 0.00 H ATOM 678 N ILE A 39 1.805 10.355 4.019 1.00 0.00 N ATOM 679 CA ILE A 39 1.220 9.021 3.963 1.00 0.00 C ATOM 680 C ILE A 39 0.879 8.508 5.356 1.00 0.00 C ATOM 681 O ILE A 39 -0.220 8.005 5.591 1.00 0.00 O ATOM 682 CB ILE A 39 2.176 8.031 3.272 1.00 0.00 C ATOM 683 CG1 ILE A 39 2.353 8.402 1.797 1.00 0.00 C ATOM 684 CG2 ILE A 39 1.657 6.608 3.407 1.00 0.00 C ATOM 685 CD1 ILE A 39 3.484 7.667 1.114 1.00 0.00 C ATOM 686 H ILE A 39 2.748 10.494 3.686 1.00 0.00 H ATOM 687 HA ILE A 39 0.304 9.069 3.374 1.00 0.00 H ATOM 688 HB ILE A 39 3.161 8.094 3.733 1.00 0.00 H ATOM 689 1HG1 ILE A 39 1.432 8.191 1.255 1.00 0.00 H ATOM 690 2HG1 ILE A 39 2.544 9.472 1.712 1.00 0.00 H ATOM 691 1HG2 ILE A 39 2.344 5.922 2.912 1.00 0.00 H ATOM 692 2HG2 ILE A 39 1.581 6.347 4.461 1.00 0.00 H ATOM 693 3HG2 ILE A 39 0.673 6.534 2.943 1.00 0.00 H ATOM 694 1HD1 ILE A 39 3.547 7.983 0.073 1.00 0.00 H ATOM 695 2HD1 ILE A 39 4.423 7.892 1.620 1.00 0.00 H ATOM 696 3HD1 ILE A 39 3.297 6.594 1.156 1.00 0.00 H ATOM 697 N ARG A 40 1.826 8.641 6.278 1.00 0.00 N ATOM 698 CA ARG A 40 1.633 8.179 7.647 1.00 0.00 C ATOM 699 C ARG A 40 0.374 8.782 8.259 1.00 0.00 C ATOM 700 O ARG A 40 -0.326 8.128 9.032 1.00 0.00 O ATOM 701 CB ARG A 40 2.835 8.539 8.508 1.00 0.00 C ATOM 702 CG ARG A 40 2.750 8.072 9.952 1.00 0.00 C ATOM 703 CD ARG A 40 2.194 9.127 10.839 1.00 0.00 C ATOM 704 NE ARG A 40 2.071 8.670 12.213 1.00 0.00 N ATOM 705 CZ ARG A 40 1.025 7.971 12.696 1.00 0.00 C ATOM 706 NH1 ARG A 40 0.023 7.656 11.905 1.00 0.00 N ATOM 707 NH2 ARG A 40 1.007 7.600 13.965 1.00 0.00 N ATOM 708 H ARG A 40 2.703 9.073 6.024 1.00 0.00 H ATOM 709 HA ARG A 40 1.530 7.094 7.635 1.00 0.00 H ATOM 710 1HB ARG A 40 3.735 8.107 8.074 1.00 0.00 H ATOM 711 2HB ARG A 40 2.964 9.622 8.518 1.00 0.00 H ATOM 712 1HG ARG A 40 2.104 7.196 10.014 1.00 0.00 H ATOM 713 2HG ARG A 40 3.748 7.814 10.310 1.00 0.00 H ATOM 714 1HD ARG A 40 2.851 9.996 10.826 1.00 0.00 H ATOM 715 2HD ARG A 40 1.205 9.415 10.485 1.00 0.00 H ATOM 716 HE ARG A 40 2.823 8.892 12.852 1.00 0.00 H ATOM 717 1HH1 ARG A 40 0.037 7.939 10.936 1.00 0.00 H ATOM 718 2HH1 ARG A 40 -0.760 7.132 12.267 1.00 0.00 H ATOM 719 1HH2 ARG A 40 1.778 7.842 14.573 1.00 0.00 H ATOM 720 2HH2 ARG A 40 0.224 7.077 14.326 1.00 0.00 H ATOM 721 N ILE A 41 0.094 10.033 7.910 1.00 0.00 N ATOM 722 CA ILE A 41 -1.072 10.732 8.436 1.00 0.00 C ATOM 723 C ILE A 41 -2.320 10.412 7.622 1.00 0.00 C ATOM 724 O ILE A 41 -3.361 10.060 8.177 1.00 0.00 O ATOM 725 CB ILE A 41 -0.841 12.254 8.446 1.00 0.00 C ATOM 726 CG1 ILE A 41 0.346 12.608 9.346 1.00 0.00 C ATOM 727 CG2 ILE A 41 -2.097 12.980 8.906 1.00 0.00 C ATOM 728 CD1 ILE A 41 0.149 12.227 10.795 1.00 0.00 C ATOM 729 H ILE A 41 0.705 10.512 7.264 1.00 0.00 H ATOM 730 HA ILE A 41 -1.234 10.409 9.465 1.00 0.00 H ATOM 731 HB ILE A 41 -0.586 12.590 7.441 1.00 0.00 H ATOM 732 1HG1 ILE A 41 1.242 12.108 8.979 1.00 0.00 H ATOM 733 2HG1 ILE A 41 0.530 13.682 9.299 1.00 0.00 H ATOM 734 1HG2 ILE A 41 -1.916 14.054 8.908 1.00 0.00 H ATOM 735 2HG2 ILE A 41 -2.917 12.751 8.227 1.00 0.00 H ATOM 736 3HG2 ILE A 41 -2.357 12.654 9.913 1.00 0.00 H ATOM 737 1HD1 ILE A 41 1.031 12.510 11.369 1.00 0.00 H ATOM 738 2HD1 ILE A 41 -0.724 12.745 11.193 1.00 0.00 H ATOM 739 3HD1 ILE A 41 -0.002 11.151 10.870 1.00 0.00 H ATOM 740 N LEU A 42 -2.208 10.535 6.304 1.00 0.00 N ATOM 741 CA LEU A 42 -3.380 10.606 5.439 1.00 0.00 C ATOM 742 C LEU A 42 -3.937 9.217 5.152 1.00 0.00 C ATOM 743 O LEU A 42 -5.146 9.042 4.997 1.00 0.00 O ATOM 744 CB LEU A 42 -3.023 11.302 4.119 1.00 0.00 C ATOM 745 CG LEU A 42 -4.210 11.687 3.228 1.00 0.00 C ATOM 746 CD1 LEU A 42 -5.117 12.652 3.978 1.00 0.00 C ATOM 747 CD2 LEU A 42 -3.696 12.309 1.938 1.00 0.00 C ATOM 748 H LEU A 42 -1.288 10.581 5.891 1.00 0.00 H ATOM 749 HA LEU A 42 -4.148 11.193 5.944 1.00 0.00 H ATOM 750 1HB LEU A 42 -2.470 12.212 4.346 1.00 0.00 H ATOM 751 2HB LEU A 42 -2.375 10.642 3.542 1.00 0.00 H ATOM 752 HG LEU A 42 -4.793 10.796 2.993 1.00 0.00 H ATOM 753 1HD1 LEU A 42 -5.961 12.926 3.344 1.00 0.00 H ATOM 754 2HD1 LEU A 42 -5.486 12.175 4.885 1.00 0.00 H ATOM 755 3HD1 LEU A 42 -4.556 13.549 4.241 1.00 0.00 H ATOM 756 1HD2 LEU A 42 -4.540 12.582 1.304 1.00 0.00 H ATOM 757 2HD2 LEU A 42 -3.114 13.201 2.171 1.00 0.00 H ATOM 758 3HD2 LEU A 42 -3.065 11.591 1.414 1.00 0.00 H ATOM 759 N LEU A 43 -3.049 8.231 5.083 1.00 0.00 N ATOM 760 CA LEU A 43 -3.432 6.882 4.687 1.00 0.00 C ATOM 761 C LEU A 43 -4.150 6.158 5.818 1.00 0.00 C ATOM 762 O LEU A 43 -3.894 6.416 6.994 1.00 0.00 O ATOM 763 OXT LEU A 43 -4.977 5.325 5.568 1.00 0.00 O ATOM 764 CB LEU A 43 -2.192 6.082 4.266 1.00 0.00 C ATOM 765 CG LEU A 43 -2.455 4.647 3.793 1.00 0.00 C ATOM 766 CD1 LEU A 43 -3.279 4.676 2.513 1.00 0.00 C ATOM 767 CD2 LEU A 43 -1.130 3.933 3.574 1.00 0.00 C ATOM 768 H LEU A 43 -2.084 8.422 5.311 1.00 0.00 H ATOM 769 HA LEU A 43 -4.106 6.951 3.832 1.00 0.00 H ATOM 770 1HB LEU A 43 -1.696 6.612 3.454 1.00 0.00 H ATOM 771 2HB LEU A 43 -1.507 6.032 5.112 1.00 0.00 H ATOM 772 HG LEU A 43 -3.033 4.115 4.549 1.00 0.00 H ATOM 773 1HD1 LEU A 43 -3.467 3.656 2.177 1.00 0.00 H ATOM 774 2HD1 LEU A 43 -4.230 5.175 2.703 1.00 0.00 H ATOM 775 3HD1 LEU A 43 -2.733 5.218 1.741 1.00 0.00 H ATOM 776 1HD2 LEU A 43 -1.317 2.913 3.238 1.00 0.00 H ATOM 777 2HD2 LEU A 43 -0.552 4.464 2.817 1.00 0.00 H ATOM 778 3HD2 LEU A 43 -0.570 3.911 4.509 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE start10_0136_0002.pdb label fa_atr fa_rep fa_sol fa_intra_atr_xover4 fa_intra_rep_xover4 fa_intra_sol_xover4 lk_ball lk_ball_iso lk_ball_bridge lk_ball_bridge_uncpl fa_elec fa_intra_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun_dev fa_dun_rot fa_dun_semi p_aa_pp hxl_tors ref rama_prepro gen_bonded total weights 1 0.55 1 1 0.55 1 0.92 -0.38 -0.33 -0.33 1 1 1.25 1 1 1 1 1.25 0.48 0.69 0.76 0.78 0.61 1 1 0.5 1 NA pose -234.535 31.6628 136.841 -24.2397 26.7482 17.6764 70.8189 -84.8724 -0.39245 -2.70133 -41.9683 -14.2753 0 -21.7783 -2.99823 0 -0.3219 0 4.63505 5.69264 36.5495 36.2817 -11.9943 11.526 -21.7868 -2.73476 0 -86.1667 THR:NtermProteinFull_1 -4.04044 0.33603 3.40183 -0.1864 0.13166 0.07268 1.70664 -1.75405 -0.01396 -0.1447 -1.62938 -1.06812 0 0 0 0 0 0 0.08233 0.00068 0.07874 0 0 2.28633 -1.0874 0 0 -1.82753 GLU_2 -5.3285 0.40552 3.80596 -0.46672 0.2932 1.46984 1.5826 -2.0183 -0.02603 -0.13825 -1.91574 -2.97899 0 0 0 0 0 0 -0.06211 0.03074 0 4.0309 -0.35329 0 -2.7348 -0.24969 0 -4.65367 GLU_3 -3.17846 0.24274 3.31388 -0.21679 0.03456 0.30786 1.34945 -1.60212 -0.02603 -0.13825 -0.21934 -0.594 0 0 0 0 0 0 -0.05277 0.01961 0 2.99955 -0.27771 0 -2.7348 -0.45819 0 -1.23081 GLU_4 -4.67797 0.33245 5.30466 -0.2137 0.02884 0.29964 2.03211 -2.34781 -0.02238 -0.25181 -0.88581 -0.58169 0 0 0 0 0 0 0.18654 0.01297 0 3.11233 -0.2765 0 -2.7348 -0.37696 0 -1.05991 ILE_5 -7.64366 1.10329 4.41458 -0.5172 0.60765 0.10385 2.61357 -2.83392 -0.01342 -0.12792 -1.67627 0.01723 0 0 0 0 0 0 -0.0643 0.21287 0.82656 0 -0.25213 0 0.73287 -0.05948 0 -2.55585 LEU_6 -8.54393 1.05207 4.47531 -1.00486 6.59393 0.46106 2.72909 -2.95519 -0 -0 -2.13156 0.13091 0 0 0 0 0 0 0.00512 0.37302 2.26576 0 -0.19151 0 0.18072 0.45937 0 3.89932 GLU_7 -4.33946 0.1754 4.94242 -0.21465 0.02365 0.28423 2.21638 -2.34522 -0.00842 -0.10711 -1.53567 -0.57377 0 0 0 0 0 0 -0.01635 0.17582 0 3.00081 -0.2416 0 -2.7348 0.16463 0 -1.13369 GLU_8 -5.00828 0.43464 6.01858 -0.21413 0.02375 0.29026 2.86843 -2.69762 -0.01342 -0.12792 -2.15692 -0.58521 0 0 0 0 0 0 -0.01672 0.11341 0 3.00955 -0.26044 0 -2.7348 -0.3919 0 -1.44874 LEU_9 -9.25222 1.45315 3.20882 -0.49431 0.36284 0.11764 2.68408 -2.78931 -0.02696 -0.1616 -2.28602 0.23234 0 0 0 0 0 0 -0.03437 0.31758 0.365 0 -0.26828 0 0.18072 -0.1783 0 -6.5692 ARG_10 -5.58358 0.36626 4.70153 -0.67 0.14212 0.40533 1.85647 -2.27163 -0 -0 -1.03982 0.43023 0 0 0 0 0 0 -0.0342 0.06915 2.4087 0 -0.14187 0 -1.2888 -0.09446 0 -0.74459 ARG_11 -3.21269 0.19598 3.80524 -1.5724 0.61697 1.4656 1.45044 -1.71311 -0 -0 -0.69494 -0.93422 0 0 0 0 0 0 -0.0411 0.00442 3.39417 0 -0.06269 0 -1.2888 -0.11851 0 1.29436 ARG_12 -5.22953 0.62278 4.21512 -0.62509 0.09385 0.36112 1.55627 -2.13047 -0 -0 -0.55657 0.46776 0 0 0 0 0 0 0.01179 0.12781 2.40961 0 -0.10068 0 -1.2888 -0.02402 0 -0.08906 ARG_13 -4.81869 0.75835 3.19386 -0.85343 0.24922 0.58483 1.01694 -1.82292 -0 -0 -0.49842 -0.2074 0 0 0 0 0 0 -0.06397 0.13328 2.16191 0 -0.18962 0 -1.2888 0.31184 0 -1.33302 VAL_14 -5.38901 1.25766 2.30175 -0.31876 0.26237 0.06798 1.09787 -2.01096 -0.02696 -0.1616 0.45336 -0.25512 0 0 0 0 0 0 -0.0197 0.04712 0.21969 0 -0.36416 0 1.9342 0.22103 0 -0.68324 GLU_15 -2.39503 0.10639 1.45048 -0.27822 0.06037 0.3131 0.08095 -0.88715 -0.01121 -0.146 -0.04698 -0.20458 0 0 0 0 0 0 0.1473 0.07695 0 3.09394 -0.01463 0 -2.7348 -0.33259 0 -1.72172 TRP_16 -10.638 2.58525 2.22202 -1.01553 0.1162 0.80397 2.1778 -2.65758 -0.01753 -0.08753 -0.0314 -0.01663 0 0 0 0 0 0 0.69153 0.9457 0 2.44409 -0.19531 0 1.6906 -0.31996 0 -1.30232 THR_17 -2.71053 0.20072 1.09278 -0.18158 0.12519 0.07093 0.12867 -0.89559 -0.02088 -0.17874 -0.28694 -0.28045 0 0 0 0 0 0 0.00087 0.00042 0.17044 0 0.10466 2.28562 -1.0874 0.0471 0 -1.4147 ILE_18 -7.57466 1.10581 1.75261 -0.65567 1.072 0.1302 1.78884 -1.79914 -0.00863 -0.02625 -1.79684 0.27577 0 0 0 0 0 0 0.27261 0.01187 1.11283 0 -0.71553 0 0.73287 -0.03237 0 -4.35368 ARG_19 -3.64335 0.22134 1.81985 -0.63401 0.18835 0.394 0.4374 -1.19371 -0.00967 -0.0327 -0.54066 0.04169 0 0 0 0 0 0 -0.06707 0.21581 2.72989 0 0.2149 0 -1.2888 -0.14728 0 -1.29401 VAL_20 -4.71294 1.07284 1.61931 -0.28268 0.19722 0.0665 1.71312 -1.54457 -0.01765 -0.13131 -1.18574 -0.52333 0 0 0 0 0 0 0.07348 0.16719 0.22477 0 -0.4117 0 1.9342 0.21741 0 -1.52389 GLY_21 -1.03284 0.07597 1.30658 -0.00022 0 0 0.3322 -0.66722 -0 -0 0.54744 -0.29505 0 0 0 0 0 0 -0.14459 0 0 0 -1.38983 0 0.83697 0.39409 0 -0.0365 ASP_22 -1.20155 0.06791 2.20218 -0.25567 0.0749 0.88702 0.66016 -0.92236 -0.00486 -0.0515 -0.55639 -2.29847 0 0 0 0 -0.16095 0 0.07248 0.00035 0 2.45655 -0.33969 0 -2.3716 -0.15223 0 -1.89372 THR_23 -4.19013 0.65501 3.96478 -0.16916 0.12409 0.05868 2.13029 -2.11465 -0.0091 -0.07166 -1.83589 -0.34871 0 0 0 0 -0.16095 0 -0.02448 0.00523 0.26884 0 -0.22816 2.37409 -1.0874 -0.36634 0 -1.02561 THR_24 -3.96246 0.38438 1.55168 -0.16676 0.10255 0.05857 0.44476 -1.2757 -0.00148 -0.00562 -0.5762 -0.08768 0 0 0 0 0 0 -0.00451 0.09674 0.21486 0 -0.18913 2.29266 -1.0874 0.00282 0 -2.20793 TRP_25 -7.9518 1.3673 2.23769 -0.91341 0.24185 0.58934 2.13309 -2.16854 -0.01879 -0.09303 -2.06045 -0.15358 0 0 0 0 0 0 0.75052 0.74738 0 2.76204 -0.27441 0 1.6906 -0.19327 0 -1.30748 THR_26 -2.00073 0.07952 1.34874 -0.18024 0.12665 0.06809 0.23986 -0.86506 -0.0025 -0.00836 -0.6029 -0.21944 0 0 0 0 0 0 0.20526 0.00029 0.09628 0 0.07491 2.28729 -1.0874 -0.15983 0 -0.59958 ILE_27 -7.89196 1.34605 1.13044 -0.66126 1.03781 0.13061 0.90936 -1.56729 -0.00421 -0.01438 -0.50321 0.44432 0 0 0 0 0 0 0.09337 0.0424 0.94373 0 -0.70212 0 0.73287 -0.27373 0 -4.80722 ARG_28 -5.03561 0.33131 2.54583 -0.69295 0.15446 0.47722 1.33143 -1.68567 -0.01536 -0.07362 -0.32021 0.52446 0 0 0 0 0 0 -0.00391 0.14766 2.04151 0 -0.07542 0 -1.2888 -0.48778 0 -2.12547 ILE_29 -5.03701 0.78151 1.35026 -0.62835 1.94028 0.20164 0.38924 -1.44676 -0 -0 0.63579 0.00716 0 0 0 0 0 0 0.12313 0.16805 2.40994 0 -0.30715 0 0.73287 -0.41481 0 0.90579 GLY_30 -2.07269 0.06748 1.57075 -6e-05 0 0 0.34176 -0.90445 -0 -0 0.10977 -0.4071 0 0 0 0 0 0 -0.16596 0 0 0 -1.49139 0 0.83697 -0.7189 0 -2.83384 VAL_31 -6.67733 0.87108 4.28028 -0.29655 0.24489 0.07397 2.54246 -2.60993 -0.01503 -0.07626 -1.26396 -0.42703 0 0 0 0 0 0 0.07472 0.00278 0.13583 0 -0.20381 0 1.9342 -0.33605 0 -1.74574 GLU_32 -4.47464 0.21302 3.99459 -0.34688 0.07331 0.42035 1.52486 -1.94697 -0 -0 -1.58605 -0.63576 0 0 0 0 0 0 0.02743 0.04341 0 3.57253 -0.29732 0 -2.7348 -0.06368 0 -2.21661 GLU_33 -3.53677 0.14794 3.86026 -0.44518 0.12208 1.31027 1.30902 -1.84864 -0.02142 -0.1322 -0.93629 -2.22122 0 0 0 0 0 0 -0.03294 0.04017 0 4.02593 -0.16789 0 -2.7348 -0.31923 0 -1.58091 LEU_34 -7.32186 0.60501 3.96698 -0.51828 0.78585 0.12653 2.94874 -2.57545 -0.02142 -0.1322 -1.26767 0.25136 0 0 0 0 0 0 -0.00574 0.01623 0.3665 0 -0.27051 0 0.18072 -0.1358 0 -3.001 LEU_35 -10.7898 2.90367 3.94956 -0.5263 0.90719 0.12981 3.34639 -3.30676 -0 -0 -1.68728 0.28003 0 0 0 0 0 0 0.25407 0.07682 0.3239 0 -0.31375 0 0.18072 -0.12254 0 -4.39425 ARG_36 -6.17922 0.23778 6.11647 -1.51028 0.90976 1.33363 2.31155 -2.85932 -0.00068 -0.00538 -2.0246 -0.68183 0 0 0 0 0 0 0.86053 0.4331 3.40161 0 -0.09647 0 -1.2888 -0.16983 0 0.78802 TRP_37 -9.34967 1.60412 3.96411 -1.26976 0.06491 0.50789 2.56921 -2.78971 -0 -0 -1.51272 -0.24946 0 0 0 0 0 0 0.27378 0.11604 0 1.77346 -0.16385 0 1.6906 -0.01147 0 -2.78251 LEU_38 -9.97292 1.91611 3.93737 -0.71496 3.90237 0.32604 3.12856 -3.00665 -0.0027 -0.01122 -2.80956 -0.0918 0 0 0 0 0 0 -0.02235 0.22968 1.02306 0 -0.14474 0 0.18072 0.5842 0 -1.54879 ILE_39 -9.90398 1.75706 4.6595 -0.51153 0.63375 0.09885 3.18219 -3.28239 -0.00452 -0.02648 -1.27576 0.15551 0 0 0 0 0 0 -0.05467 0.04893 0.49153 0 -0.43708 0 0.73287 0.82139 0 -2.91483 ARG_40 -4.18936 0.29245 4.07105 -1.65076 1.25056 1.78988 1.54078 -1.94347 -0 -0 -0.56257 -1.46759 0 0 0 0 0 0 -0.07443 0.00462 4.00018 0 -0.20192 0 -1.2888 0.42364 0 1.99426 ILE_41 -6.83033 1.23097 3.12069 -0.69908 1.36889 0.15428 1.6835 -2.0459 -0 -0 -0.1714 0.40863 0 0 0 0 0 0 1.41 0.09006 0.62488 0 -0.49935 0 0.73287 0.28091 0 0.85961 LEU_42 -3.66595 0.22601 2.3196 -0.7014 0.95201 0.26832 1.36262 -1.40824 -0 -0 -0.89626 0.14524 0 0 0 0 0 0 0.02447 0.32032 1.32436 0 -0.27713 0 0.18072 0.10157 0 0.27627 LEU:CtermProteinFull_43 -3.34517 0.47251 2.33049 -0.76452 0.50612 0.59474 1.36985 -1.36085 -0.00722 -0.0377 -0.15024 0.30028 0 0 0 0 0 0 0 0.00595 0.51442 0 0 0 0.18072 -0.05555 0 0.55382 #END_POSE_ENERGIES_TABLE start10_0136_0002.pdb score_per_res -2.57305 total_score -110.641
HEEH_KT_rd6_2366.pdb
ATOM 1 N ILE A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA ILE A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C ILE A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O ILE A 1 2.616 1.861 0.976 1.00 0.00 O ATOM 5 CB ILE A 1 2.007 -0.764 -1.218 1.00 0.00 C ATOM 6 CG1 ILE A 1 1.578 -2.233 -1.166 1.00 0.00 C ATOM 7 CG2 ILE A 1 3.523 -0.652 -1.278 1.00 0.00 C ATOM 8 CD1 ILE A 1 1.815 -2.985 -2.455 1.00 0.00 C ATOM 9 1H ILE A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 10 2H ILE A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 11 3H ILE A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 12 HA ILE A 1 1.804 -0.509 0.900 1.00 0.00 H ATOM 13 HB ILE A 1 1.585 -0.345 -2.131 1.00 0.00 H ATOM 14 1HG1 ILE A 1 2.119 -2.742 -0.369 1.00 0.00 H ATOM 15 2HG1 ILE A 1 0.515 -2.293 -0.927 1.00 0.00 H ATOM 16 1HG2 ILE A 1 3.894 -1.198 -2.145 1.00 0.00 H ATOM 17 2HG2 ILE A 1 3.806 0.397 -1.361 1.00 0.00 H ATOM 18 3HG2 ILE A 1 3.955 -1.073 -0.371 1.00 0.00 H ATOM 19 1HD1 ILE A 1 1.485 -4.018 -2.340 1.00 0.00 H ATOM 20 2HD1 ILE A 1 1.252 -2.512 -3.261 1.00 0.00 H ATOM 21 3HD1 ILE A 1 2.877 -2.969 -2.696 1.00 0.00 H ATOM 22 N LEU A 2 1.794 2.133 -1.101 1.00 0.00 N ATOM 23 CA LEU A 2 2.507 3.379 -1.358 1.00 0.00 C ATOM 24 C LEU A 2 2.179 4.429 -0.306 1.00 0.00 C ATOM 25 O LEU A 2 2.960 5.353 -0.072 1.00 0.00 O ATOM 26 CB LEU A 2 2.153 3.914 -2.751 1.00 0.00 C ATOM 27 CG LEU A 2 3.069 3.456 -3.893 1.00 0.00 C ATOM 28 CD1 LEU A 2 4.510 3.827 -3.568 1.00 0.00 C ATOM 29 CD2 LEU A 2 2.923 1.955 -4.091 1.00 0.00 C ATOM 30 H LEU A 2 1.118 1.804 -1.776 1.00 0.00 H ATOM 31 HA LEU A 2 3.578 3.176 -1.330 1.00 0.00 H ATOM 32 1HB LEU A 2 1.139 3.603 -2.996 1.00 0.00 H ATOM 33 2HB LEU A 2 2.179 5.003 -2.722 1.00 0.00 H ATOM 34 HG LEU A 2 2.792 3.972 -4.812 1.00 0.00 H ATOM 35 1HD1 LEU A 2 5.161 3.502 -4.379 1.00 0.00 H ATOM 36 2HD1 LEU A 2 4.590 4.908 -3.451 1.00 0.00 H ATOM 37 3HD1 LEU A 2 4.812 3.338 -2.642 1.00 0.00 H ATOM 38 1HD2 LEU A 2 3.574 1.630 -4.903 1.00 0.00 H ATOM 39 2HD2 LEU A 2 3.202 1.438 -3.172 1.00 0.00 H ATOM 40 3HD2 LEU A 2 1.888 1.720 -4.339 1.00 0.00 H ATOM 41 N GLU A 3 1.020 4.283 0.329 1.00 0.00 N ATOM 42 CA GLU A 3 0.556 5.256 1.311 1.00 0.00 C ATOM 43 C GLU A 3 1.580 5.447 2.422 1.00 0.00 C ATOM 44 O GLU A 3 1.685 6.528 3.004 1.00 0.00 O ATOM 45 CB GLU A 3 -0.782 4.816 1.907 1.00 0.00 C ATOM 46 CG GLU A 3 -1.951 4.864 0.932 1.00 0.00 C ATOM 47 CD GLU A 3 -3.252 4.446 1.559 1.00 0.00 C ATOM 48 OE1 GLU A 3 -3.232 3.986 2.675 1.00 0.00 O ATOM 49 OE2 GLU A 3 -4.268 4.587 0.920 1.00 0.00 O ATOM 50 H GLU A 3 0.447 3.476 0.126 1.00 0.00 H ATOM 51 HA GLU A 3 0.405 6.211 0.806 1.00 0.00 H ATOM 52 1HB GLU A 3 -0.697 3.794 2.277 1.00 0.00 H ATOM 53 2HB GLU A 3 -1.029 5.453 2.757 1.00 0.00 H ATOM 54 1HG GLU A 3 -2.053 5.880 0.553 1.00 0.00 H ATOM 55 2HG GLU A 3 -1.733 4.211 0.088 1.00 0.00 H ATOM 56 N GLU A 4 2.333 4.393 2.715 1.00 0.00 N ATOM 57 CA GLU A 4 3.345 4.440 3.764 1.00 0.00 C ATOM 58 C GLU A 4 4.750 4.413 3.176 1.00 0.00 C ATOM 59 O GLU A 4 5.664 5.049 3.699 1.00 0.00 O ATOM 60 CB GLU A 4 3.164 3.269 4.733 1.00 0.00 C ATOM 61 CG GLU A 4 1.852 3.289 5.505 1.00 0.00 C ATOM 62 CD GLU A 4 1.718 2.136 6.460 1.00 0.00 C ATOM 63 OE1 GLU A 4 2.587 1.297 6.474 1.00 0.00 O ATOM 64 OE2 GLU A 4 0.745 2.093 7.175 1.00 0.00 O ATOM 65 H GLU A 4 2.202 3.536 2.197 1.00 0.00 H ATOM 66 HA GLU A 4 3.218 5.367 4.325 1.00 0.00 H ATOM 67 1HB GLU A 4 3.213 2.330 4.182 1.00 0.00 H ATOM 68 2HB GLU A 4 3.978 3.267 5.457 1.00 0.00 H ATOM 69 1HG GLU A 4 1.787 4.220 6.067 1.00 0.00 H ATOM 70 2HG GLU A 4 1.025 3.266 4.796 1.00 0.00 H ATOM 71 N LYS A 5 4.915 3.671 2.086 1.00 0.00 N ATOM 72 CA LYS A 5 6.240 3.375 1.554 1.00 0.00 C ATOM 73 C LYS A 5 6.858 4.605 0.900 1.00 0.00 C ATOM 74 O LYS A 5 8.070 4.808 0.959 1.00 0.00 O ATOM 75 CB LYS A 5 6.170 2.225 0.550 1.00 0.00 C ATOM 76 CG LYS A 5 5.777 0.884 1.155 1.00 0.00 C ATOM 77 CD LYS A 5 6.783 0.435 2.205 1.00 0.00 C ATOM 78 CE LYS A 5 6.556 -1.015 2.606 1.00 0.00 C ATOM 79 NZ LYS A 5 7.453 -1.431 3.719 1.00 0.00 N ATOM 80 H LYS A 5 4.102 3.301 1.614 1.00 0.00 H ATOM 81 HA LYS A 5 6.881 3.058 2.377 1.00 0.00 H ATOM 82 1HB LYS A 5 5.445 2.465 -0.229 1.00 0.00 H ATOM 83 2HB LYS A 5 7.140 2.102 0.068 1.00 0.00 H ATOM 84 1HG LYS A 5 4.794 0.968 1.620 1.00 0.00 H ATOM 85 2HG LYS A 5 5.725 0.131 0.369 1.00 0.00 H ATOM 86 1HD LYS A 5 7.794 0.540 1.809 1.00 0.00 H ATOM 87 2HD LYS A 5 6.691 1.066 3.089 1.00 0.00 H ATOM 88 1HE LYS A 5 5.522 -1.147 2.921 1.00 0.00 H ATOM 89 2HE LYS A 5 6.738 -1.662 1.749 1.00 0.00 H ATOM 90 1HZ LYS A 5 7.272 -2.396 3.955 1.00 0.00 H ATOM 91 2HZ LYS A 5 8.417 -1.329 3.431 1.00 0.00 H ATOM 92 3HZ LYS A 5 7.280 -0.850 4.527 1.00 0.00 H ATOM 93 N PHE A 6 6.017 5.424 0.278 1.00 0.00 N ATOM 94 CA PHE A 6 6.483 6.615 -0.421 1.00 0.00 C ATOM 95 C PHE A 6 7.110 7.612 0.545 1.00 0.00 C ATOM 96 O PHE A 6 8.204 8.121 0.302 1.00 0.00 O ATOM 97 CB PHE A 6 5.327 7.281 -1.170 1.00 0.00 C ATOM 98 CG PHE A 6 5.740 8.476 -1.983 1.00 0.00 C ATOM 99 CD1 PHE A 6 6.377 8.315 -3.204 1.00 0.00 C ATOM 100 CD2 PHE A 6 5.493 9.762 -1.527 1.00 0.00 C ATOM 101 CE1 PHE A 6 6.758 9.413 -3.952 1.00 0.00 C ATOM 102 CE2 PHE A 6 5.871 10.861 -2.273 1.00 0.00 C ATOM 103 CZ PHE A 6 6.505 10.686 -3.487 1.00 0.00 C ATOM 104 H PHE A 6 5.028 5.216 0.291 1.00 0.00 H ATOM 105 HA PHE A 6 7.236 6.315 -1.152 1.00 0.00 H ATOM 106 1HB PHE A 6 4.863 6.559 -1.840 1.00 0.00 H ATOM 107 2HB PHE A 6 4.568 7.601 -0.457 1.00 0.00 H ATOM 108 HD1 PHE A 6 6.576 7.308 -3.572 1.00 0.00 H ATOM 109 HD2 PHE A 6 4.993 9.900 -0.568 1.00 0.00 H ATOM 110 HE1 PHE A 6 7.257 9.272 -4.910 1.00 0.00 H ATOM 111 HE2 PHE A 6 5.671 11.867 -1.904 1.00 0.00 H ATOM 112 HZ PHE A 6 6.805 11.552 -4.076 1.00 0.00 H ATOM 113 N GLU A 7 6.411 7.886 1.641 1.00 0.00 N ATOM 114 CA GLU A 7 6.905 8.811 2.653 1.00 0.00 C ATOM 115 C GLU A 7 8.078 8.215 3.421 1.00 0.00 C ATOM 116 O GLU A 7 8.998 8.928 3.820 1.00 0.00 O ATOM 117 CB GLU A 7 5.784 9.185 3.625 1.00 0.00 C ATOM 118 CG GLU A 7 4.661 10.004 3.005 1.00 0.00 C ATOM 119 CD GLU A 7 5.103 11.376 2.578 1.00 0.00 C ATOM 120 OE1 GLU A 7 5.929 11.948 3.247 1.00 0.00 O ATOM 121 OE2 GLU A 7 4.614 11.852 1.581 1.00 0.00 O ATOM 122 H GLU A 7 5.515 7.440 1.777 1.00 0.00 H ATOM 123 HA GLU A 7 7.240 9.722 2.155 1.00 0.00 H ATOM 124 1HB GLU A 7 5.346 8.278 4.042 1.00 0.00 H ATOM 125 2HB GLU A 7 6.198 9.760 4.454 1.00 0.00 H ATOM 126 1HG GLU A 7 4.276 9.472 2.135 1.00 0.00 H ATOM 127 2HG GLU A 7 3.851 10.097 3.727 1.00 0.00 H ATOM 128 N LEU A 8 8.038 6.902 3.624 1.00 0.00 N ATOM 129 CA LEU A 8 9.105 6.205 4.331 1.00 0.00 C ATOM 130 C LEU A 8 10.440 6.368 3.614 1.00 0.00 C ATOM 131 O LEU A 8 11.446 6.725 4.227 1.00 0.00 O ATOM 132 CB LEU A 8 8.767 4.714 4.463 1.00 0.00 C ATOM 133 CG LEU A 8 9.797 3.863 5.216 1.00 0.00 C ATOM 134 CD1 LEU A 8 9.087 2.725 5.936 1.00 0.00 C ATOM 135 CD2 LEU A 8 10.830 3.329 4.235 1.00 0.00 C ATOM 136 H LEU A 8 7.249 6.374 3.280 1.00 0.00 H ATOM 137 HA LEU A 8 9.192 6.629 5.332 1.00 0.00 H ATOM 138 1HB LEU A 8 7.815 4.619 4.983 1.00 0.00 H ATOM 139 2HB LEU A 8 8.656 4.293 3.464 1.00 0.00 H ATOM 140 HG LEU A 8 10.294 4.475 5.969 1.00 0.00 H ATOM 141 1HD1 LEU A 8 9.819 2.120 6.472 1.00 0.00 H ATOM 142 2HD1 LEU A 8 8.368 3.135 6.645 1.00 0.00 H ATOM 143 3HD1 LEU A 8 8.565 2.103 5.209 1.00 0.00 H ATOM 144 1HD2 LEU A 8 11.563 2.724 4.771 1.00 0.00 H ATOM 145 2HD2 LEU A 8 10.334 2.716 3.482 1.00 0.00 H ATOM 146 3HD2 LEU A 8 11.335 4.164 3.748 1.00 0.00 H ATOM 147 N ALA A 9 10.442 6.103 2.312 1.00 0.00 N ATOM 148 CA ALA A 9 11.662 6.174 1.518 1.00 0.00 C ATOM 149 C ALA A 9 12.269 7.572 1.564 1.00 0.00 C ATOM 150 O ALA A 9 13.473 7.729 1.764 1.00 0.00 O ATOM 151 CB ALA A 9 11.383 5.766 0.079 1.00 0.00 C ATOM 152 H ALA A 9 9.576 5.847 1.860 1.00 0.00 H ATOM 153 HA ALA A 9 12.384 5.467 1.927 1.00 0.00 H ATOM 154 1HB ALA A 9 12.304 5.823 -0.501 1.00 0.00 H ATOM 155 2HB ALA A 9 11.004 4.744 0.058 1.00 0.00 H ATOM 156 3HB ALA A 9 10.640 6.436 -0.351 1.00 0.00 H ATOM 157 N ARG A 10 11.427 8.582 1.376 1.00 0.00 N ATOM 158 CA ARG A 10 11.891 9.963 1.312 1.00 0.00 C ATOM 159 C ARG A 10 12.408 10.434 2.666 1.00 0.00 C ATOM 160 O ARG A 10 13.451 11.081 2.752 1.00 0.00 O ATOM 161 CB ARG A 10 10.770 10.884 0.853 1.00 0.00 C ATOM 162 CG ARG A 10 11.180 12.332 0.636 1.00 0.00 C ATOM 163 CD ARG A 10 10.047 13.155 0.139 1.00 0.00 C ATOM 164 NE ARG A 10 8.995 13.286 1.134 1.00 0.00 N ATOM 165 CZ ARG A 10 9.001 14.184 2.139 1.00 0.00 C ATOM 166 NH1 ARG A 10 10.007 15.020 2.269 1.00 0.00 N ATOM 167 NH2 ARG A 10 7.994 14.224 2.995 1.00 0.00 N ATOM 168 H ARG A 10 10.441 8.390 1.276 1.00 0.00 H ATOM 169 HA ARG A 10 12.704 10.022 0.588 1.00 0.00 H ATOM 170 1HB ARG A 10 10.357 10.514 -0.084 1.00 0.00 H ATOM 171 2HB ARG A 10 9.967 10.876 1.590 1.00 0.00 H ATOM 172 1HG ARG A 10 11.526 12.758 1.578 1.00 0.00 H ATOM 173 2HG ARG A 10 11.984 12.376 -0.100 1.00 0.00 H ATOM 174 1HD ARG A 10 10.406 14.153 -0.112 1.00 0.00 H ATOM 175 2HD ARG A 10 9.621 12.689 -0.748 1.00 0.00 H ATOM 176 HE ARG A 10 8.204 12.660 1.067 1.00 0.00 H ATOM 177 1HH1 ARG A 10 10.777 14.989 1.615 1.00 0.00 H ATOM 178 2HH1 ARG A 10 10.011 15.692 3.022 1.00 0.00 H ATOM 179 1HH2 ARG A 10 7.220 13.581 2.895 1.00 0.00 H ATOM 180 2HH2 ARG A 10 7.998 14.896 3.747 1.00 0.00 H ATOM 181 N ARG A 11 11.671 10.106 3.722 1.00 0.00 N ATOM 182 CA ARG A 11 12.010 10.562 5.064 1.00 0.00 C ATOM 183 C ARG A 11 13.305 9.926 5.551 1.00 0.00 C ATOM 184 O ARG A 11 14.131 10.583 6.184 1.00 0.00 O ATOM 185 CB ARG A 11 10.888 10.235 6.039 1.00 0.00 C ATOM 186 CG ARG A 11 11.152 10.649 7.479 1.00 0.00 C ATOM 187 CD ARG A 11 11.215 12.126 7.622 1.00 0.00 C ATOM 188 NE ARG A 11 11.529 12.526 8.985 1.00 0.00 N ATOM 189 CZ ARG A 11 12.777 12.642 9.479 1.00 0.00 C ATOM 190 NH1 ARG A 11 13.814 12.386 8.712 1.00 0.00 N ATOM 191 NH2 ARG A 11 12.959 13.012 10.734 1.00 0.00 N ATOM 192 H ARG A 11 10.854 9.526 3.591 1.00 0.00 H ATOM 193 HA ARG A 11 12.140 11.645 5.040 1.00 0.00 H ATOM 194 1HB ARG A 11 9.972 10.727 5.718 1.00 0.00 H ATOM 195 2HB ARG A 11 10.703 9.161 6.034 1.00 0.00 H ATOM 196 1HG ARG A 11 10.351 10.276 8.117 1.00 0.00 H ATOM 197 2HG ARG A 11 12.104 10.232 7.809 1.00 0.00 H ATOM 198 1HD ARG A 11 11.986 12.524 6.964 1.00 0.00 H ATOM 199 2HD ARG A 11 10.251 12.559 7.354 1.00 0.00 H ATOM 200 HE ARG A 11 10.757 12.731 9.605 1.00 0.00 H ATOM 201 1HH1 ARG A 11 13.675 12.102 7.753 1.00 0.00 H ATOM 202 2HH1 ARG A 11 14.750 12.472 9.083 1.00 0.00 H ATOM 203 1HH2 ARG A 11 12.162 13.209 11.324 1.00 0.00 H ATOM 204 2HH2 ARG A 11 13.894 13.099 11.105 1.00 0.00 H ATOM 205 N LEU A 12 13.476 8.643 5.254 1.00 0.00 N ATOM 206 CA LEU A 12 14.643 7.898 5.715 1.00 0.00 C ATOM 207 C LEU A 12 15.857 8.182 4.841 1.00 0.00 C ATOM 208 O LEU A 12 16.990 8.189 5.320 1.00 0.00 O ATOM 209 CB LEU A 12 14.345 6.393 5.714 1.00 0.00 C ATOM 210 CG LEU A 12 13.733 5.836 7.006 1.00 0.00 C ATOM 211 CD1 LEU A 12 12.482 6.629 7.359 1.00 0.00 C ATOM 212 CD2 LEU A 12 13.411 4.361 6.820 1.00 0.00 C ATOM 213 H LEU A 12 12.781 8.171 4.694 1.00 0.00 H ATOM 214 HA LEU A 12 14.867 8.205 6.737 1.00 0.00 H ATOM 215 1HB LEU A 12 13.656 6.176 4.901 1.00 0.00 H ATOM 216 2HB LEU A 12 15.275 5.855 5.529 1.00 0.00 H ATOM 217 HG LEU A 12 14.444 5.952 7.825 1.00 0.00 H ATOM 218 1HD1 LEU A 12 12.047 6.233 8.277 1.00 0.00 H ATOM 219 2HD1 LEU A 12 12.745 7.677 7.506 1.00 0.00 H ATOM 220 3HD1 LEU A 12 11.758 6.545 6.550 1.00 0.00 H ATOM 221 1HD2 LEU A 12 12.977 3.964 7.738 1.00 0.00 H ATOM 222 2HD2 LEU A 12 12.700 4.244 6.002 1.00 0.00 H ATOM 223 3HD2 LEU A 12 14.326 3.815 6.586 1.00 0.00 H ATOM 224 N GLY A 13 15.613 8.413 3.555 1.00 0.00 N ATOM 225 CA GLY A 13 16.693 8.579 2.589 1.00 0.00 C ATOM 226 C GLY A 13 17.167 7.233 2.057 1.00 0.00 C ATOM 227 O GLY A 13 18.350 7.051 1.768 1.00 0.00 O ATOM 228 H GLY A 13 14.656 8.476 3.239 1.00 0.00 H ATOM 229 1HA GLY A 13 16.349 9.201 1.762 1.00 0.00 H ATOM 230 2HA GLY A 13 17.525 9.102 3.059 1.00 0.00 H ATOM 231 N THR A 14 16.238 6.292 1.929 1.00 0.00 N ATOM 232 CA THR A 14 16.574 4.936 1.510 1.00 0.00 C ATOM 233 C THR A 14 15.882 4.576 0.202 1.00 0.00 C ATOM 234 O THR A 14 15.133 5.378 -0.357 1.00 0.00 O ATOM 235 CB THR A 14 16.195 3.912 2.595 1.00 0.00 C ATOM 236 OG1 THR A 14 16.720 2.625 2.245 1.00 0.00 O ATOM 237 CG2 THR A 14 14.683 3.817 2.735 1.00 0.00 C ATOM 238 H THR A 14 15.275 6.521 2.127 1.00 0.00 H ATOM 239 HA THR A 14 17.652 4.876 1.363 1.00 0.00 H ATOM 240 HB THR A 14 16.624 4.217 3.549 1.00 0.00 H ATOM 241 HG1 THR A 14 16.696 2.050 3.014 1.00 0.00 H ATOM 242 1HG2 THR A 14 14.434 3.088 3.506 1.00 0.00 H ATOM 243 2HG2 THR A 14 14.282 4.791 3.012 1.00 0.00 H ATOM 244 3HG2 THR A 14 14.249 3.503 1.786 1.00 0.00 H ATOM 245 N THR A 15 16.138 3.367 -0.284 1.00 0.00 N ATOM 246 CA THR A 15 15.564 2.909 -1.544 1.00 0.00 C ATOM 247 C THR A 15 14.537 1.808 -1.313 1.00 0.00 C ATOM 248 O THR A 15 14.850 0.761 -0.749 1.00 0.00 O ATOM 249 CB THR A 15 16.659 2.401 -2.501 1.00 0.00 C ATOM 250 OG1 THR A 15 17.567 3.469 -2.801 1.00 0.00 O ATOM 251 CG2 THR A 15 16.042 1.887 -3.792 1.00 0.00 C ATOM 252 H THR A 15 16.745 2.747 0.234 1.00 0.00 H ATOM 253 HA THR A 15 15.070 3.753 -2.025 1.00 0.00 H ATOM 254 HB THR A 15 17.214 1.594 -2.023 1.00 0.00 H ATOM 255 HG1 THR A 15 18.117 3.646 -2.034 1.00 0.00 H ATOM 256 1HG2 THR A 15 16.830 1.532 -4.456 1.00 0.00 H ATOM 257 2HG2 THR A 15 15.360 1.067 -3.568 1.00 0.00 H ATOM 258 3HG2 THR A 15 15.494 2.692 -4.279 1.00 0.00 H ATOM 259 N ILE A 16 13.307 2.052 -1.754 1.00 0.00 N ATOM 260 CA ILE A 16 12.237 1.070 -1.625 1.00 0.00 C ATOM 261 C ILE A 16 11.765 0.586 -2.990 1.00 0.00 C ATOM 262 O ILE A 16 11.426 1.388 -3.860 1.00 0.00 O ATOM 263 CB ILE A 16 11.045 1.656 -0.847 1.00 0.00 C ATOM 264 CG1 ILE A 16 11.502 2.180 0.516 1.00 0.00 C ATOM 265 CG2 ILE A 16 9.953 0.610 -0.681 1.00 0.00 C ATOM 266 CD1 ILE A 16 12.056 1.108 1.428 1.00 0.00 C ATOM 267 H ILE A 16 13.108 2.941 -2.190 1.00 0.00 H ATOM 268 HA ILE A 16 12.618 0.215 -1.064 1.00 0.00 H ATOM 269 HB ILE A 16 10.639 2.508 -1.392 1.00 0.00 H ATOM 270 1HG1 ILE A 16 12.271 2.939 0.375 1.00 0.00 H ATOM 271 2HG1 ILE A 16 10.663 2.657 1.023 1.00 0.00 H ATOM 272 1HG2 ILE A 16 9.118 1.041 -0.128 1.00 0.00 H ATOM 273 2HG2 ILE A 16 9.609 0.284 -1.661 1.00 0.00 H ATOM 274 3HG2 ILE A 16 10.349 -0.245 -0.132 1.00 0.00 H ATOM 275 1HD1 ILE A 16 12.358 1.556 2.374 1.00 0.00 H ATOM 276 2HD1 ILE A 16 11.289 0.355 1.611 1.00 0.00 H ATOM 277 3HD1 ILE A 16 12.919 0.641 0.956 1.00 0.00 H ATOM 278 N ILE A 17 11.747 -0.730 -3.172 1.00 0.00 N ATOM 279 CA ILE A 17 11.325 -1.323 -4.435 1.00 0.00 C ATOM 280 C ILE A 17 9.910 -1.879 -4.337 1.00 0.00 C ATOM 281 O ILE A 17 9.629 -2.740 -3.503 1.00 0.00 O ATOM 282 CB ILE A 17 12.290 -2.443 -4.866 1.00 0.00 C ATOM 283 CG1 ILE A 17 13.733 -1.933 -4.866 1.00 0.00 C ATOM 284 CG2 ILE A 17 11.909 -2.973 -6.240 1.00 0.00 C ATOM 285 CD1 ILE A 17 13.957 -0.731 -5.754 1.00 0.00 C ATOM 286 H ILE A 17 12.033 -1.335 -2.416 1.00 0.00 H ATOM 287 HA ILE A 17 11.343 -0.549 -5.204 1.00 0.00 H ATOM 288 HB ILE A 17 12.244 -3.259 -4.146 1.00 0.00 H ATOM 289 1HG1 ILE A 17 14.025 -1.667 -3.850 1.00 0.00 H ATOM 290 2HG1 ILE A 17 14.400 -2.729 -5.198 1.00 0.00 H ATOM 291 1HG2 ILE A 17 12.602 -3.763 -6.529 1.00 0.00 H ATOM 292 2HG2 ILE A 17 10.896 -3.372 -6.208 1.00 0.00 H ATOM 293 3HG2 ILE A 17 11.958 -2.164 -6.968 1.00 0.00 H ATOM 294 1HD1 ILE A 17 15.003 -0.429 -5.701 1.00 0.00 H ATOM 295 2HD1 ILE A 17 13.704 -0.986 -6.783 1.00 0.00 H ATOM 296 3HD1 ILE A 17 13.325 0.091 -5.419 1.00 0.00 H ATOM 297 N ILE A 18 9.024 -1.382 -5.192 1.00 0.00 N ATOM 298 CA ILE A 18 7.619 -1.772 -5.152 1.00 0.00 C ATOM 299 C ILE A 18 7.148 -2.274 -6.511 1.00 0.00 C ATOM 300 O ILE A 18 7.341 -1.610 -7.530 1.00 0.00 O ATOM 301 CB ILE A 18 6.734 -0.594 -4.705 1.00 0.00 C ATOM 302 CG1 ILE A 18 7.166 -0.097 -3.323 1.00 0.00 C ATOM 303 CG2 ILE A 18 5.270 -1.003 -4.694 1.00 0.00 C ATOM 304 CD1 ILE A 18 6.543 1.222 -2.926 1.00 0.00 C ATOM 305 H ILE A 18 9.330 -0.719 -5.889 1.00 0.00 H ATOM 306 HA ILE A 18 7.503 -2.575 -4.424 1.00 0.00 H ATOM 307 HB ILE A 18 6.864 0.240 -5.394 1.00 0.00 H ATOM 308 1HG1 ILE A 18 6.901 -0.839 -2.570 1.00 0.00 H ATOM 309 2HG1 ILE A 18 8.250 0.018 -3.299 1.00 0.00 H ATOM 310 1HG2 ILE A 18 4.659 -0.159 -4.375 1.00 0.00 H ATOM 311 2HG2 ILE A 18 4.970 -1.309 -5.695 1.00 0.00 H ATOM 312 3HG2 ILE A 18 5.129 -1.834 -4.003 1.00 0.00 H ATOM 313 1HD1 ILE A 18 6.897 1.509 -1.935 1.00 0.00 H ATOM 314 2HD1 ILE A 18 6.825 1.989 -3.648 1.00 0.00 H ATOM 315 3HD1 ILE A 18 5.459 1.122 -2.908 1.00 0.00 H ATOM 316 N ARG A 19 6.527 -3.448 -6.520 1.00 0.00 N ATOM 317 CA ARG A 19 6.009 -4.032 -7.752 1.00 0.00 C ATOM 318 C ARG A 19 4.507 -4.267 -7.661 1.00 0.00 C ATOM 319 O ARG A 19 4.053 -5.186 -6.979 1.00 0.00 O ATOM 320 CB ARG A 19 6.708 -5.350 -8.056 1.00 0.00 C ATOM 321 CG ARG A 19 8.193 -5.231 -8.360 1.00 0.00 C ATOM 322 CD ARG A 19 8.801 -6.554 -8.653 1.00 0.00 C ATOM 323 NE ARG A 19 10.192 -6.433 -9.058 1.00 0.00 N ATOM 324 CZ ARG A 19 11.238 -6.407 -8.209 1.00 0.00 C ATOM 325 NH1 ARG A 19 11.034 -6.494 -6.913 1.00 0.00 N ATOM 326 NH2 ARG A 19 12.468 -6.294 -8.678 1.00 0.00 N ATOM 327 H ARG A 19 6.411 -3.950 -5.651 1.00 0.00 H ATOM 328 HA ARG A 19 6.206 -3.342 -8.572 1.00 0.00 H ATOM 329 1HB ARG A 19 6.598 -6.023 -7.207 1.00 0.00 H ATOM 330 2HB ARG A 19 6.232 -5.825 -8.914 1.00 0.00 H ATOM 331 1HG ARG A 19 8.336 -4.588 -9.229 1.00 0.00 H ATOM 332 2HG ARG A 19 8.707 -4.799 -7.500 1.00 0.00 H ATOM 333 1HD ARG A 19 8.759 -7.179 -7.761 1.00 0.00 H ATOM 334 2HD ARG A 19 8.251 -7.036 -9.460 1.00 0.00 H ATOM 335 HE ARG A 19 10.389 -6.364 -10.048 1.00 0.00 H ATOM 336 1HH1 ARG A 19 10.093 -6.580 -6.554 1.00 0.00 H ATOM 337 2HH1 ARG A 19 11.817 -6.474 -6.276 1.00 0.00 H ATOM 338 1HH2 ARG A 19 12.625 -6.228 -9.675 1.00 0.00 H ATOM 339 2HH2 ARG A 19 13.251 -6.275 -8.042 1.00 0.00 H ATOM 340 N ILE A 20 3.740 -3.432 -8.353 1.00 0.00 N ATOM 341 CA ILE A 20 2.285 -3.513 -8.310 1.00 0.00 C ATOM 342 C ILE A 20 1.699 -3.655 -9.709 1.00 0.00 C ATOM 343 O ILE A 20 1.781 -2.735 -10.523 1.00 0.00 O ATOM 344 CB ILE A 20 1.686 -2.270 -7.626 1.00 0.00 C ATOM 345 CG1 ILE A 20 2.163 -2.178 -6.174 1.00 0.00 C ATOM 346 CG2 ILE A 20 0.167 -2.309 -7.689 1.00 0.00 C ATOM 347 CD1 ILE A 20 1.908 -0.833 -5.532 1.00 0.00 C ATOM 348 H ILE A 20 4.177 -2.722 -8.924 1.00 0.00 H ATOM 349 HA ILE A 20 2.005 -4.389 -7.723 1.00 0.00 H ATOM 350 HB ILE A 20 2.038 -1.372 -8.131 1.00 0.00 H ATOM 351 1HG1 ILE A 20 1.663 -2.941 -5.578 1.00 0.00 H ATOM 352 2HG1 ILE A 20 3.233 -2.379 -6.129 1.00 0.00 H ATOM 353 1HG2 ILE A 20 -0.240 -1.423 -7.201 1.00 0.00 H ATOM 354 2HG2 ILE A 20 -0.154 -2.328 -8.730 1.00 0.00 H ATOM 355 3HG2 ILE A 20 -0.196 -3.202 -7.181 1.00 0.00 H ATOM 356 1HD1 ILE A 20 2.274 -0.845 -4.505 1.00 0.00 H ATOM 357 2HD1 ILE A 20 2.430 -0.057 -6.094 1.00 0.00 H ATOM 358 3HD1 ILE A 20 0.839 -0.626 -5.534 1.00 0.00 H ATOM 359 N GLY A 21 1.107 -4.813 -9.982 1.00 0.00 N ATOM 360 CA GLY A 21 0.654 -5.142 -11.328 1.00 0.00 C ATOM 361 C GLY A 21 1.828 -5.247 -12.295 1.00 0.00 C ATOM 362 O GLY A 21 2.777 -5.993 -12.055 1.00 0.00 O ATOM 363 H GLY A 21 0.969 -5.482 -9.239 1.00 0.00 H ATOM 364 1HA GLY A 21 0.109 -6.086 -11.308 1.00 0.00 H ATOM 365 2HA GLY A 21 -0.041 -4.378 -11.675 1.00 0.00 H ATOM 366 N ASP A 22 1.756 -4.495 -13.388 1.00 0.00 N ATOM 367 CA ASP A 22 2.795 -4.528 -14.410 1.00 0.00 C ATOM 368 C ASP A 22 3.769 -3.369 -14.244 1.00 0.00 C ATOM 369 O ASP A 22 4.665 -3.176 -15.065 1.00 0.00 O ATOM 370 CB ASP A 22 2.173 -4.485 -15.808 1.00 0.00 C ATOM 371 CG ASP A 22 1.327 -5.712 -16.119 1.00 0.00 C ATOM 372 OD1 ASP A 22 1.679 -6.780 -15.677 1.00 0.00 O ATOM 373 OD2 ASP A 22 0.337 -5.570 -16.796 1.00 0.00 O ATOM 374 H ASP A 22 0.961 -3.884 -13.514 1.00 0.00 H ATOM 375 HA ASP A 22 3.347 -5.465 -14.312 1.00 0.00 H ATOM 376 1HB ASP A 22 1.548 -3.597 -15.901 1.00 0.00 H ATOM 377 2HB ASP A 22 2.964 -4.408 -16.556 1.00 0.00 H ATOM 378 N TRP A 23 3.585 -2.597 -13.177 1.00 0.00 N ATOM 379 CA TRP A 23 4.403 -1.414 -12.939 1.00 0.00 C ATOM 380 C TRP A 23 5.440 -1.672 -11.854 1.00 0.00 C ATOM 381 O TRP A 23 5.117 -2.177 -10.779 1.00 0.00 O ATOM 382 CB TRP A 23 3.523 -0.229 -12.537 1.00 0.00 C ATOM 383 CG TRP A 23 2.673 0.292 -13.657 1.00 0.00 C ATOM 384 CD1 TRP A 23 1.368 -0.015 -13.900 1.00 0.00 C ATOM 385 CD2 TRP A 23 3.067 1.220 -14.696 1.00 0.00 C ATOM 386 NE1 TRP A 23 0.925 0.654 -15.014 1.00 0.00 N ATOM 387 CE2 TRP A 23 1.951 1.415 -15.513 1.00 0.00 C ATOM 388 CE3 TRP A 23 4.260 1.892 -14.993 1.00 0.00 C ATOM 389 CZ2 TRP A 23 1.986 2.255 -16.615 1.00 0.00 C ATOM 390 CZ3 TRP A 23 4.295 2.734 -16.098 1.00 0.00 C ATOM 391 CH2 TRP A 23 3.187 2.911 -16.887 1.00 0.00 C ATOM 392 H TRP A 23 2.861 -2.837 -12.516 1.00 0.00 H ATOM 393 HA TRP A 23 4.920 -1.158 -13.864 1.00 0.00 H ATOM 394 1HB TRP A 23 2.868 -0.524 -11.718 1.00 0.00 H ATOM 395 2HB TRP A 23 4.152 0.585 -12.177 1.00 0.00 H ATOM 396 HD1 TRP A 23 0.765 -0.692 -13.298 1.00 0.00 H ATOM 397 HE1 TRP A 23 -0.005 0.595 -15.404 1.00 0.00 H ATOM 398 HE3 TRP A 23 5.142 1.757 -14.368 1.00 0.00 H ATOM 399 HZ2 TRP A 23 1.117 2.408 -17.255 1.00 0.00 H ATOM 400 HZ3 TRP A 23 5.227 3.253 -16.323 1.00 0.00 H ATOM 401 HH2 TRP A 23 3.249 3.580 -17.746 1.00 0.00 H ATOM 402 N THR A 24 6.690 -1.321 -12.141 1.00 0.00 N ATOM 403 CA THR A 24 7.745 -1.352 -11.137 1.00 0.00 C ATOM 404 C THR A 24 8.309 0.040 -10.886 1.00 0.00 C ATOM 405 O THR A 24 8.734 0.725 -11.816 1.00 0.00 O ATOM 406 CB THR A 24 8.881 -2.303 -11.557 1.00 0.00 C ATOM 407 OG1 THR A 24 8.359 -3.625 -11.739 1.00 0.00 O ATOM 408 CG2 THR A 24 9.971 -2.334 -10.496 1.00 0.00 C ATOM 409 H THR A 24 6.913 -1.024 -13.081 1.00 0.00 H ATOM 410 HA THR A 24 7.325 -1.733 -10.205 1.00 0.00 H ATOM 411 HB THR A 24 9.310 -1.963 -12.500 1.00 0.00 H ATOM 412 HG1 THR A 24 7.863 -3.663 -12.561 1.00 0.00 H ATOM 413 1HG2 THR A 24 10.765 -3.010 -10.810 1.00 0.00 H ATOM 414 2HG2 THR A 24 10.378 -1.331 -10.364 1.00 0.00 H ATOM 415 3HG2 THR A 24 9.550 -2.681 -9.554 1.00 0.00 H ATOM 416 N ILE A 25 8.310 0.454 -9.623 1.00 0.00 N ATOM 417 CA ILE A 25 8.759 1.792 -9.256 1.00 0.00 C ATOM 418 C ILE A 25 9.868 1.734 -8.215 1.00 0.00 C ATOM 419 O ILE A 25 9.846 0.893 -7.316 1.00 0.00 O ATOM 420 CB ILE A 25 7.589 2.634 -8.713 1.00 0.00 C ATOM 421 CG1 ILE A 25 6.916 1.918 -7.539 1.00 0.00 C ATOM 422 CG2 ILE A 25 6.581 2.917 -9.817 1.00 0.00 C ATOM 423 CD1 ILE A 25 5.804 2.715 -6.896 1.00 0.00 C ATOM 424 H ILE A 25 7.992 -0.175 -8.899 1.00 0.00 H ATOM 425 HA ILE A 25 9.142 2.286 -10.149 1.00 0.00 H ATOM 426 HB ILE A 25 7.969 3.580 -8.330 1.00 0.00 H ATOM 427 1HG1 ILE A 25 6.503 0.969 -7.880 1.00 0.00 H ATOM 428 2HG1 ILE A 25 7.660 1.695 -6.774 1.00 0.00 H ATOM 429 1HG2 ILE A 25 5.761 3.512 -9.416 1.00 0.00 H ATOM 430 2HG2 ILE A 25 7.068 3.466 -10.622 1.00 0.00 H ATOM 431 3HG2 ILE A 25 6.191 1.976 -10.204 1.00 0.00 H ATOM 432 1HD1 ILE A 25 5.376 2.143 -6.072 1.00 0.00 H ATOM 433 2HD1 ILE A 25 6.203 3.656 -6.515 1.00 0.00 H ATOM 434 3HD1 ILE A 25 5.030 2.920 -7.634 1.00 0.00 H ATOM 435 N THR A 26 10.839 2.633 -8.341 1.00 0.00 N ATOM 436 CA THR A 26 11.896 2.765 -7.345 1.00 0.00 C ATOM 437 C THR A 26 11.893 4.152 -6.718 1.00 0.00 C ATOM 438 O THR A 26 12.083 5.155 -7.407 1.00 0.00 O ATOM 439 CB THR A 26 13.278 2.480 -7.963 1.00 0.00 C ATOM 440 OG1 THR A 26 13.311 1.139 -8.468 1.00 0.00 O ATOM 441 CG2 THR A 26 14.373 2.652 -6.921 1.00 0.00 C ATOM 442 H THR A 26 10.845 3.240 -9.147 1.00 0.00 H ATOM 443 HA THR A 26 11.727 2.026 -6.561 1.00 0.00 H ATOM 444 HB THR A 26 13.457 3.169 -8.788 1.00 0.00 H ATOM 445 HG1 THR A 26 12.793 1.089 -9.276 1.00 0.00 H ATOM 446 1HG2 THR A 26 15.342 2.447 -7.376 1.00 0.00 H ATOM 447 2HG2 THR A 26 14.358 3.674 -6.543 1.00 0.00 H ATOM 448 3HG2 THR A 26 14.205 1.958 -6.098 1.00 0.00 H ATOM 449 N ILE A 27 11.677 4.204 -5.409 1.00 0.00 N ATOM 450 CA ILE A 27 11.553 5.473 -4.702 1.00 0.00 C ATOM 451 C ILE A 27 12.793 5.763 -3.868 1.00 0.00 C ATOM 452 O ILE A 27 13.139 4.999 -2.967 1.00 0.00 O ATOM 453 CB ILE A 27 10.310 5.476 -3.793 1.00 0.00 C ATOM 454 CG1 ILE A 27 9.057 5.128 -4.600 1.00 0.00 C ATOM 455 CG2 ILE A 27 10.151 6.828 -3.114 1.00 0.00 C ATOM 456 CD1 ILE A 27 7.868 4.746 -3.748 1.00 0.00 C ATOM 457 H ILE A 27 11.596 3.342 -4.889 1.00 0.00 H ATOM 458 HA ILE A 27 11.432 6.269 -5.438 1.00 0.00 H ATOM 459 HB ILE A 27 10.416 4.707 -3.029 1.00 0.00 H ATOM 460 1HG1 ILE A 27 8.774 5.979 -5.219 1.00 0.00 H ATOM 461 2HG1 ILE A 27 9.275 4.297 -5.271 1.00 0.00 H ATOM 462 1HG2 ILE A 27 9.268 6.813 -2.476 1.00 0.00 H ATOM 463 2HG2 ILE A 27 11.032 7.037 -2.509 1.00 0.00 H ATOM 464 3HG2 ILE A 27 10.039 7.604 -3.871 1.00 0.00 H ATOM 465 1HD1 ILE A 27 7.019 4.513 -4.392 1.00 0.00 H ATOM 466 2HD1 ILE A 27 8.118 3.872 -3.146 1.00 0.00 H ATOM 467 3HD1 ILE A 27 7.608 5.577 -3.093 1.00 0.00 H ATOM 468 N THR A 28 13.459 6.872 -4.172 1.00 0.00 N ATOM 469 CA THR A 28 14.710 7.220 -3.511 1.00 0.00 C ATOM 470 C THR A 28 14.691 8.661 -3.019 1.00 0.00 C ATOM 471 O THR A 28 13.686 9.358 -3.150 1.00 0.00 O ATOM 472 CB THR A 28 15.911 7.011 -4.453 1.00 0.00 C ATOM 473 OG1 THR A 28 15.912 8.028 -5.463 1.00 0.00 O ATOM 474 CG2 THR A 28 15.838 5.644 -5.116 1.00 0.00 C ATOM 475 H THR A 28 13.088 7.489 -4.880 1.00 0.00 H ATOM 476 HA THR A 28 14.845 6.559 -2.654 1.00 0.00 H ATOM 477 HB THR A 28 16.837 7.083 -3.883 1.00 0.00 H ATOM 478 HG1 THR A 28 16.222 8.854 -5.084 1.00 0.00 H ATOM 479 1HG2 THR A 28 16.694 5.514 -5.777 1.00 0.00 H ATOM 480 2HG2 THR A 28 15.848 4.868 -4.350 1.00 0.00 H ATOM 481 3HG2 THR A 28 14.918 5.569 -5.695 1.00 0.00 H ATOM 482 N ASP A 29 15.810 9.102 -2.451 1.00 0.00 N ATOM 483 CA ASP A 29 15.953 10.485 -2.015 1.00 0.00 C ATOM 484 C ASP A 29 16.144 11.421 -3.202 1.00 0.00 C ATOM 485 O ASP A 29 17.177 11.387 -3.871 1.00 0.00 O ATOM 486 CB ASP A 29 17.135 10.624 -1.053 1.00 0.00 C ATOM 487 CG ASP A 29 17.241 12.015 -0.441 1.00 0.00 C ATOM 488 OD1 ASP A 29 16.533 12.891 -0.879 1.00 0.00 O ATOM 489 OD2 ASP A 29 18.029 12.189 0.457 1.00 0.00 O ATOM 490 H ASP A 29 16.579 8.462 -2.319 1.00 0.00 H ATOM 491 HA ASP A 29 15.046 10.776 -1.482 1.00 0.00 H ATOM 492 1HB ASP A 29 17.036 9.896 -0.247 1.00 0.00 H ATOM 493 2HB ASP A 29 18.063 10.404 -1.581 1.00 0.00 H ATOM 494 N GLY A 30 15.141 12.255 -3.460 1.00 0.00 N ATOM 495 CA GLY A 30 15.152 13.128 -4.626 1.00 0.00 C ATOM 496 C GLY A 30 14.340 12.533 -5.768 1.00 0.00 C ATOM 497 O GLY A 30 14.312 13.077 -6.872 1.00 0.00 O ATOM 498 H GLY A 30 14.352 12.284 -2.829 1.00 0.00 H ATOM 499 1HA GLY A 30 14.746 14.103 -4.354 1.00 0.00 H ATOM 500 2HA GLY A 30 16.180 13.289 -4.950 1.00 0.00 H ATOM 501 N ALA A 31 13.679 11.413 -5.497 1.00 0.00 N ATOM 502 CA ALA A 31 12.860 10.744 -6.499 1.00 0.00 C ATOM 503 C ALA A 31 11.502 11.421 -6.643 1.00 0.00 C ATOM 504 O ALA A 31 10.533 11.034 -5.990 1.00 0.00 O ATOM 505 CB ALA A 31 12.683 9.275 -6.144 1.00 0.00 C ATOM 506 H ALA A 31 13.747 11.013 -4.571 1.00 0.00 H ATOM 507 HA ALA A 31 13.377 10.793 -7.459 1.00 0.00 H ATOM 508 1HB ALA A 31 12.069 8.788 -6.903 1.00 0.00 H ATOM 509 2HB ALA A 31 13.659 8.790 -6.102 1.00 0.00 H ATOM 510 3HB ALA A 31 12.195 9.191 -5.175 1.00 0.00 H ATOM 511 N GLU A 32 11.439 12.433 -7.500 1.00 0.00 N ATOM 512 CA GLU A 32 10.194 13.147 -7.754 1.00 0.00 C ATOM 513 C GLU A 32 9.462 12.568 -8.958 1.00 0.00 C ATOM 514 O GLU A 32 8.233 12.577 -9.014 1.00 0.00 O ATOM 515 CB GLU A 32 10.468 14.636 -7.979 1.00 0.00 C ATOM 516 CG GLU A 32 11.041 15.359 -6.769 1.00 0.00 C ATOM 517 CD GLU A 32 11.275 16.823 -7.020 1.00 0.00 C ATOM 518 OE1 GLU A 32 11.103 17.250 -8.136 1.00 0.00 O ATOM 519 OE2 GLU A 32 11.628 17.515 -6.094 1.00 0.00 O ATOM 520 H GLU A 32 12.277 12.716 -7.990 1.00 0.00 H ATOM 521 HA GLU A 32 9.553 13.047 -6.876 1.00 0.00 H ATOM 522 1HB GLU A 32 11.170 14.755 -8.804 1.00 0.00 H ATOM 523 2HB GLU A 32 9.542 15.138 -8.262 1.00 0.00 H ATOM 524 1HG GLU A 32 10.350 15.252 -5.934 1.00 0.00 H ATOM 525 2HG GLU A 32 11.982 14.888 -6.489 1.00 0.00 H ATOM 526 N GLU A 33 10.227 12.064 -9.922 1.00 0.00 N ATOM 527 CA GLU A 33 9.656 11.537 -11.156 1.00 0.00 C ATOM 528 C GLU A 33 8.824 10.289 -10.889 1.00 0.00 C ATOM 529 O GLU A 33 7.813 10.053 -11.549 1.00 0.00 O ATOM 530 CB GLU A 33 10.763 11.217 -12.162 1.00 0.00 C ATOM 531 CG GLU A 33 11.483 12.439 -12.714 1.00 0.00 C ATOM 532 CD GLU A 33 12.589 12.085 -13.670 1.00 0.00 C ATOM 533 OE1 GLU A 33 12.902 10.924 -13.782 1.00 0.00 O ATOM 534 OE2 GLU A 33 13.121 12.977 -14.288 1.00 0.00 O ATOM 535 H GLU A 33 11.228 12.046 -9.796 1.00 0.00 H ATOM 536 HA GLU A 33 9.011 12.300 -11.592 1.00 0.00 H ATOM 537 1HB GLU A 33 11.508 10.574 -11.692 1.00 0.00 H ATOM 538 2HB GLU A 33 10.342 10.668 -13.005 1.00 0.00 H ATOM 539 1HG GLU A 33 10.761 13.071 -13.230 1.00 0.00 H ATOM 540 2HG GLU A 33 11.896 13.010 -11.884 1.00 0.00 H ATOM 541 N VAL A 34 9.256 9.494 -9.916 1.00 0.00 N ATOM 542 CA VAL A 34 8.591 8.234 -9.604 1.00 0.00 C ATOM 543 C VAL A 34 7.146 8.465 -9.179 1.00 0.00 C ATOM 544 O VAL A 34 6.301 7.580 -9.311 1.00 0.00 O ATOM 545 CB VAL A 34 9.342 7.497 -8.480 1.00 0.00 C ATOM 546 CG1 VAL A 34 9.123 8.195 -7.146 1.00 0.00 C ATOM 547 CG2 VAL A 34 8.882 6.049 -8.413 1.00 0.00 C ATOM 548 H VAL A 34 10.066 9.767 -9.379 1.00 0.00 H ATOM 549 HA VAL A 34 8.595 7.609 -10.498 1.00 0.00 H ATOM 550 HB VAL A 34 10.412 7.530 -8.688 1.00 0.00 H ATOM 551 1HG1 VAL A 34 9.662 7.661 -6.363 1.00 0.00 H ATOM 552 2HG1 VAL A 34 9.493 9.219 -7.206 1.00 0.00 H ATOM 553 3HG1 VAL A 34 8.059 8.205 -6.911 1.00 0.00 H ATOM 554 1HG2 VAL A 34 9.418 5.533 -7.617 1.00 0.00 H ATOM 555 2HG2 VAL A 34 7.811 6.016 -8.210 1.00 0.00 H ATOM 556 3HG2 VAL A 34 9.086 5.558 -9.365 1.00 0.00 H ATOM 557 N ARG A 35 6.869 9.660 -8.667 1.00 0.00 N ATOM 558 CA ARG A 35 5.585 9.946 -8.041 1.00 0.00 C ATOM 559 C ARG A 35 4.443 9.810 -9.040 1.00 0.00 C ATOM 560 O ARG A 35 3.280 9.685 -8.656 1.00 0.00 O ATOM 561 CB ARG A 35 5.577 11.349 -7.452 1.00 0.00 C ATOM 562 CG ARG A 35 4.410 11.647 -6.525 1.00 0.00 C ATOM 563 CD ARG A 35 4.577 12.951 -5.833 1.00 0.00 C ATOM 564 NE ARG A 35 3.515 13.194 -4.870 1.00 0.00 N ATOM 565 CZ ARG A 35 3.451 14.266 -4.056 1.00 0.00 C ATOM 566 NH1 ARG A 35 4.392 15.183 -4.101 1.00 0.00 N ATOM 567 NH2 ARG A 35 2.442 14.396 -3.213 1.00 0.00 N ATOM 568 H ARG A 35 7.567 10.389 -8.713 1.00 0.00 H ATOM 569 HA ARG A 35 5.427 9.232 -7.231 1.00 0.00 H ATOM 570 1HB ARG A 35 6.495 11.513 -6.890 1.00 0.00 H ATOM 571 2HB ARG A 35 5.553 12.082 -8.259 1.00 0.00 H ATOM 572 1HG ARG A 35 3.486 11.682 -7.103 1.00 0.00 H ATOM 573 2HG ARG A 35 4.336 10.865 -5.769 1.00 0.00 H ATOM 574 1HD ARG A 35 5.528 12.961 -5.301 1.00 0.00 H ATOM 575 2HD ARG A 35 4.563 13.756 -6.566 1.00 0.00 H ATOM 576 HE ARG A 35 2.772 12.511 -4.807 1.00 0.00 H ATOM 577 1HH1 ARG A 35 5.164 15.083 -4.745 1.00 0.00 H ATOM 578 2HH1 ARG A 35 4.344 15.986 -3.491 1.00 0.00 H ATOM 579 1HH2 ARG A 35 1.718 13.692 -3.179 1.00 0.00 H ATOM 580 2HH2 ARG A 35 2.394 15.199 -2.604 1.00 0.00 H ATOM 581 N ARG A 36 4.781 9.838 -10.324 1.00 0.00 N ATOM 582 CA ARG A 36 3.785 9.713 -11.382 1.00 0.00 C ATOM 583 C ARG A 36 3.124 8.341 -11.357 1.00 0.00 C ATOM 584 O ARG A 36 1.921 8.216 -11.589 1.00 0.00 O ATOM 585 CB ARG A 36 4.420 9.943 -12.745 1.00 0.00 C ATOM 586 CG ARG A 36 3.437 10.028 -13.902 1.00 0.00 C ATOM 587 CD ARG A 36 3.233 8.706 -14.548 1.00 0.00 C ATOM 588 NE ARG A 36 2.263 8.774 -15.629 1.00 0.00 N ATOM 589 CZ ARG A 36 0.930 8.663 -15.469 1.00 0.00 C ATOM 590 NH1 ARG A 36 0.425 8.478 -14.269 1.00 0.00 N ATOM 591 NH2 ARG A 36 0.130 8.739 -16.518 1.00 0.00 N ATOM 592 H ARG A 36 5.753 9.948 -10.575 1.00 0.00 H ATOM 593 HA ARG A 36 3.018 10.473 -11.227 1.00 0.00 H ATOM 594 1HB ARG A 36 4.991 10.870 -12.729 1.00 0.00 H ATOM 595 2HB ARG A 36 5.116 9.133 -12.963 1.00 0.00 H ATOM 596 1HG ARG A 36 2.473 10.383 -13.536 1.00 0.00 H ATOM 597 2HG ARG A 36 3.818 10.721 -14.653 1.00 0.00 H ATOM 598 1HD ARG A 36 4.178 8.353 -14.960 1.00 0.00 H ATOM 599 2HD ARG A 36 2.870 7.992 -13.809 1.00 0.00 H ATOM 600 HE ARG A 36 2.613 8.916 -16.567 1.00 0.00 H ATOM 601 1HH1 ARG A 36 1.037 8.420 -13.467 1.00 0.00 H ATOM 602 2HH1 ARG A 36 -0.574 8.394 -14.149 1.00 0.00 H ATOM 603 1HH2 ARG A 36 0.518 8.881 -17.441 1.00 0.00 H ATOM 604 2HH2 ARG A 36 -0.869 8.655 -16.398 1.00 0.00 H ATOM 605 N ILE A 37 3.916 7.313 -11.073 1.00 0.00 N ATOM 606 CA ILE A 37 3.422 5.941 -11.074 1.00 0.00 C ATOM 607 C ILE A 37 3.072 5.479 -9.665 1.00 0.00 C ATOM 608 O ILE A 37 2.384 4.476 -9.483 1.00 0.00 O ATOM 609 CB ILE A 37 4.462 4.985 -11.686 1.00 0.00 C ATOM 610 CG1 ILE A 37 4.772 5.386 -13.130 1.00 0.00 C ATOM 611 CG2 ILE A 37 3.965 3.549 -11.624 1.00 0.00 C ATOM 612 CD1 ILE A 37 3.586 5.281 -14.061 1.00 0.00 C ATOM 613 H ILE A 37 4.886 7.486 -10.850 1.00 0.00 H ATOM 614 HA ILE A 37 2.522 5.897 -11.690 1.00 0.00 H ATOM 615 HB ILE A 37 5.396 5.060 -11.130 1.00 0.00 H ATOM 616 1HG1 ILE A 37 5.134 6.413 -13.152 1.00 0.00 H ATOM 617 2HG1 ILE A 37 5.568 4.751 -13.521 1.00 0.00 H ATOM 618 1HG2 ILE A 37 4.711 2.886 -12.060 1.00 0.00 H ATOM 619 2HG2 ILE A 37 3.793 3.268 -10.585 1.00 0.00 H ATOM 620 3HG2 ILE A 37 3.032 3.462 -12.182 1.00 0.00 H ATOM 621 1HD1 ILE A 37 3.884 5.581 -15.066 1.00 0.00 H ATOM 622 2HD1 ILE A 37 3.229 4.250 -14.081 1.00 0.00 H ATOM 623 3HD1 ILE A 37 2.789 5.935 -13.710 1.00 0.00 H ATOM 624 N VAL A 38 3.550 6.219 -8.670 1.00 0.00 N ATOM 625 CA VAL A 38 3.069 6.068 -7.303 1.00 0.00 C ATOM 626 C VAL A 38 1.576 6.357 -7.209 1.00 0.00 C ATOM 627 O VAL A 38 0.828 5.614 -6.573 1.00 0.00 O ATOM 628 CB VAL A 38 3.833 7.015 -6.360 1.00 0.00 C ATOM 629 CG1 VAL A 38 3.157 7.070 -4.998 1.00 0.00 C ATOM 630 CG2 VAL A 38 5.278 6.558 -6.227 1.00 0.00 C ATOM 631 H VAL A 38 4.265 6.906 -8.867 1.00 0.00 H ATOM 632 HA VAL A 38 3.246 5.039 -6.986 1.00 0.00 H ATOM 633 HB VAL A 38 3.807 8.023 -6.772 1.00 0.00 H ATOM 634 1HG1 VAL A 38 3.711 7.744 -4.344 1.00 0.00 H ATOM 635 2HG1 VAL A 38 2.137 7.433 -5.113 1.00 0.00 H ATOM 636 3HG1 VAL A 38 3.141 6.072 -4.559 1.00 0.00 H ATOM 637 1HG2 VAL A 38 5.813 7.233 -5.559 1.00 0.00 H ATOM 638 2HG2 VAL A 38 5.304 5.547 -5.819 1.00 0.00 H ATOM 639 3HG2 VAL A 38 5.754 6.566 -7.208 1.00 0.00 H ATOM 640 N GLU A 39 1.147 7.442 -7.846 1.00 0.00 N ATOM 641 CA GLU A 39 -0.269 7.780 -7.915 1.00 0.00 C ATOM 642 C GLU A 39 -1.037 6.768 -8.756 1.00 0.00 C ATOM 643 O GLU A 39 -2.175 6.421 -8.441 1.00 0.00 O ATOM 644 CB GLU A 39 -0.454 9.185 -8.494 1.00 0.00 C ATOM 645 CG GLU A 39 -1.883 9.707 -8.433 1.00 0.00 C ATOM 646 CD GLU A 39 -2.356 9.952 -7.028 1.00 0.00 C ATOM 647 OE1 GLU A 39 -1.530 10.109 -6.161 1.00 0.00 O ATOM 648 OE2 GLU A 39 -3.546 9.983 -6.820 1.00 0.00 O ATOM 649 H GLU A 39 1.820 8.047 -8.293 1.00 0.00 H ATOM 650 HA GLU A 39 -0.676 7.775 -6.903 1.00 0.00 H ATOM 651 1HB GLU A 39 0.182 9.887 -7.956 1.00 0.00 H ATOM 652 2HB GLU A 39 -0.140 9.192 -9.538 1.00 0.00 H ATOM 653 1HG GLU A 39 -1.942 10.640 -8.992 1.00 0.00 H ATOM 654 2HG GLU A 39 -2.543 8.986 -8.913 1.00 0.00 H ATOM 655 N LEU A 40 -0.407 6.296 -9.826 1.00 0.00 N ATOM 656 CA LEU A 40 -1.032 5.326 -10.717 1.00 0.00 C ATOM 657 C LEU A 40 -1.455 4.074 -9.959 1.00 0.00 C ATOM 658 O LEU A 40 -2.569 3.579 -10.132 1.00 0.00 O ATOM 659 CB LEU A 40 -0.067 4.945 -11.847 1.00 0.00 C ATOM 660 CG LEU A 40 -0.627 3.986 -12.905 1.00 0.00 C ATOM 661 CD1 LEU A 40 0.032 4.269 -14.248 1.00 0.00 C ATOM 662 CD2 LEU A 40 -0.381 2.549 -12.467 1.00 0.00 C ATOM 663 H LEU A 40 0.529 6.619 -10.027 1.00 0.00 H ATOM 664 HA LEU A 40 -1.917 5.783 -11.160 1.00 0.00 H ATOM 665 1HB LEU A 40 0.245 5.855 -12.358 1.00 0.00 H ATOM 666 2HB LEU A 40 0.815 4.478 -11.409 1.00 0.00 H ATOM 667 HG LEU A 40 -1.699 4.153 -13.017 1.00 0.00 H ATOM 668 1HD1 LEU A 40 -0.366 3.587 -14.999 1.00 0.00 H ATOM 669 2HD1 LEU A 40 -0.176 5.297 -14.545 1.00 0.00 H ATOM 670 3HD1 LEU A 40 1.108 4.126 -14.162 1.00 0.00 H ATOM 671 1HD2 LEU A 40 -0.780 1.867 -13.219 1.00 0.00 H ATOM 672 2HD2 LEU A 40 0.690 2.381 -12.356 1.00 0.00 H ATOM 673 3HD2 LEU A 40 -0.878 2.369 -11.514 1.00 0.00 H ATOM 674 N VAL A 41 -0.560 3.568 -9.117 1.00 0.00 N ATOM 675 CA VAL A 41 -0.797 2.313 -8.412 1.00 0.00 C ATOM 676 C VAL A 41 -1.719 2.518 -7.218 1.00 0.00 C ATOM 677 O VAL A 41 -2.459 1.613 -6.829 1.00 0.00 O ATOM 678 CB VAL A 41 0.536 1.712 -7.929 1.00 0.00 C ATOM 679 CG1 VAL A 41 1.410 1.334 -9.116 1.00 0.00 C ATOM 680 CG2 VAL A 41 1.254 2.701 -7.025 1.00 0.00 C ATOM 681 H VAL A 41 0.306 4.064 -8.963 1.00 0.00 H ATOM 682 HA VAL A 41 -1.268 1.612 -9.101 1.00 0.00 H ATOM 683 HB VAL A 41 0.331 0.795 -7.376 1.00 0.00 H ATOM 684 1HG1 VAL A 41 2.348 0.910 -8.757 1.00 0.00 H ATOM 685 2HG1 VAL A 41 0.892 0.598 -9.730 1.00 0.00 H ATOM 686 3HG1 VAL A 41 1.619 2.222 -9.712 1.00 0.00 H ATOM 687 1HG2 VAL A 41 2.195 2.269 -6.687 1.00 0.00 H ATOM 688 2HG2 VAL A 41 1.453 3.620 -7.576 1.00 0.00 H ATOM 689 3HG2 VAL A 41 0.627 2.926 -6.161 1.00 0.00 H ATOM 690 N LEU A 42 -1.672 3.713 -6.638 1.00 0.00 N ATOM 691 CA LEU A 42 -2.553 4.063 -5.530 1.00 0.00 C ATOM 692 C LEU A 42 -4.007 4.122 -5.980 1.00 0.00 C ATOM 693 O LEU A 42 -4.908 3.692 -5.260 1.00 0.00 O ATOM 694 CB LEU A 42 -2.141 5.413 -4.931 1.00 0.00 C ATOM 695 CG LEU A 42 -0.927 5.383 -3.993 1.00 0.00 C ATOM 696 CD1 LEU A 42 -0.461 6.807 -3.719 1.00 0.00 C ATOM 697 CD2 LEU A 42 -1.301 4.672 -2.701 1.00 0.00 C ATOM 698 H LEU A 42 -1.009 4.397 -6.974 1.00 0.00 H ATOM 699 HA LEU A 42 -2.457 3.298 -4.757 1.00 0.00 H ATOM 700 1HB LEU A 42 -1.914 6.099 -5.745 1.00 0.00 H ATOM 701 2HB LEU A 42 -2.984 5.816 -4.369 1.00 0.00 H ATOM 702 HG LEU A 42 -0.108 4.851 -4.476 1.00 0.00 H ATOM 703 1HD1 LEU A 42 0.401 6.785 -3.053 1.00 0.00 H ATOM 704 2HD1 LEU A 42 -0.182 7.285 -4.658 1.00 0.00 H ATOM 705 3HD1 LEU A 42 -1.268 7.369 -3.250 1.00 0.00 H ATOM 706 1HD2 LEU A 42 -0.438 4.650 -2.035 1.00 0.00 H ATOM 707 2HD2 LEU A 42 -2.120 5.204 -2.217 1.00 0.00 H ATOM 708 3HD2 LEU A 42 -1.614 3.652 -2.925 1.00 0.00 H ATOM 709 N ARG A 43 -4.230 4.658 -7.175 1.00 0.00 N ATOM 710 CA ARG A 43 -5.581 4.864 -7.682 1.00 0.00 C ATOM 711 C ARG A 43 -6.253 3.538 -8.014 1.00 0.00 C ATOM 712 O ARG A 43 -5.588 2.569 -8.380 1.00 0.00 O ATOM 713 OXT ARG A 43 -7.444 3.429 -7.921 1.00 0.00 O ATOM 714 CB ARG A 43 -5.558 5.743 -8.924 1.00 0.00 C ATOM 715 CG ARG A 43 -6.926 6.178 -9.426 1.00 0.00 C ATOM 716 CD ARG A 43 -7.468 5.229 -10.432 1.00 0.00 C ATOM 717 NE ARG A 43 -8.736 5.685 -10.979 1.00 0.00 N ATOM 718 CZ ARG A 43 -9.938 5.457 -10.416 1.00 0.00 C ATOM 719 NH1 ARG A 43 -10.020 4.779 -9.292 1.00 0.00 N ATOM 720 NH2 ARG A 43 -11.036 5.915 -10.992 1.00 0.00 N ATOM 721 H ARG A 43 -3.443 4.929 -7.747 1.00 0.00 H ATOM 722 HA ARG A 43 -6.166 5.370 -6.914 1.00 0.00 H ATOM 723 1HB ARG A 43 -4.980 6.644 -8.722 1.00 0.00 H ATOM 724 2HB ARG A 43 -5.062 5.212 -9.737 1.00 0.00 H ATOM 725 1HG ARG A 43 -7.622 6.225 -8.589 1.00 0.00 H ATOM 726 2HG ARG A 43 -6.848 7.162 -9.889 1.00 0.00 H ATOM 727 1HD ARG A 43 -6.760 5.126 -11.254 1.00 0.00 H ATOM 728 2HD ARG A 43 -7.627 4.257 -9.967 1.00 0.00 H ATOM 729 HE ARG A 43 -8.714 6.210 -11.843 1.00 0.00 H ATOM 730 1HH1 ARG A 43 -9.181 4.429 -8.851 1.00 0.00 H ATOM 731 2HH1 ARG A 43 -10.921 4.608 -8.870 1.00 0.00 H ATOM 732 1HH2 ARG A 43 -10.973 6.436 -11.856 1.00 0.00 H ATOM 733 2HH2 ARG A 43 -11.936 5.744 -10.570 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE start10_0165_0001.pdb label fa_atr fa_rep fa_sol fa_intra_atr_xover4 fa_intra_rep_xover4 fa_intra_sol_xover4 lk_ball lk_ball_iso lk_ball_bridge lk_ball_bridge_uncpl fa_elec fa_intra_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun_dev fa_dun_rot fa_dun_semi p_aa_pp hxl_tors ref rama_prepro gen_bonded total weights 1 0.55 1 1 0.55 1 0.92 -0.38 -0.33 -0.33 1 1 1.25 1 1 1 1 1.25 0.48 0.69 0.76 0.78 0.61 1 1 0.5 1 NA pose -202.266 32.1334 108.458 -21.2057 21.0529 14.8093 64.8978 -74.3699 -0.19853 -1.25011 -37.6795 -10.3542 0 -21.7422 -7.68105 0 -1.51697 0 4.05434 4.87604 40.0735 26.6956 -13.6075 11.4302 -14.3428 0.8268 0 -76.9072 ILE:NtermProteinFull_1 -4.62646 0.9309 1.39573 -0.51103 0.63053 0.10776 1.55809 -1.29628 -0.00335 -0.02916 -0.80706 1.95181 0 0 0 0 0 0 1.19589 0.07519 0.39896 0 0 0 0.73287 0 0 1.70438 LEU_2 -9.02184 3.24556 0.59671 -0.79515 2.88319 0.21746 1.62881 -1.77326 -0.01599 -0.08724 -0.51135 0.33154 0 0 0 0 0 0 -0.05574 0.12023 2.90506 0 -0.20159 0 0.18072 0.02813 0 -0.32475 GLU_3 -2.49375 0.39596 2.53086 -0.22066 0.02788 0.30872 0.64174 -1.19491 -0 -0 0.3888 -0.60183 0 0 0 0 0 0 -0.10118 0.02831 0 3.20666 -0.3082 0 -2.7348 0.01519 0 -0.1112 GLU_4 -3.30611 0.39348 4.02626 -0.20788 0.0349 0.3084 1.9122 -1.83938 -0 -0 -1.198 -0.54177 0 0 0 0 0 0 0.30924 0.00519 0 2.94443 -0.10123 0 -2.7348 0.21477 0 0.21969 LYS_5 -6.40894 0.7211 4.40681 -0.56159 0.38395 0.35332 2.20558 -2.3308 -0 -0 -0.81578 0.17386 0 0 0 0 0 0 -0.04502 0.23172 2.05433 0 -0.11053 0 -1.5107 0.06116 0 -1.19154 PHE_6 -7.50521 0.91637 3.10912 -0.87167 0.03981 0.30484 2.01872 -2.33131 -0.00335 -0.02916 -1.7355 0.02439 0 0 0 0 0 0 0.03345 0.07669 0 1.89726 -0.26326 0 1.0402 -0.01274 0 -3.29135 GLU_7 -4.10145 0.11753 5.23586 -0.4367 0.06836 0.86599 1.97781 -2.38138 -0.01599 -0.08724 -2.75444 -0.43544 0 0 0 0 -0.75848 0 0.03637 0.06451 0 3.21938 -0.33717 0 -2.7348 -0.08945 0 -2.54673 LEU_8 -6.42143 0.92667 4.2721 -0.68839 1.49728 0.27685 2.74271 -2.68816 -1e-05 -0.00025 -1.75437 -0.04911 0 0 0 0 0 0 -0.00863 0.27394 1.17665 0 -0.19003 0 0.18072 0.13159 0 -0.32186 ALA_9 -6.17489 0.79146 3.95791 -0.02069 0 0 2.85055 -2.91292 -0 -0 -2.92588 -0.34306 0 0 0 0 0 0 0.00845 0 0 0 -0.05386 0 1.8394 0.60741 0 -2.37611 ARG_10 -3.59692 0.11876 4.68513 -1.00861 0.24765 0.66267 1.88095 -2.1544 -0 -0 -1.66046 0.18774 0 0 0 0 -0.75848 0 -0.01931 0.09074 2.69186 0 -0.0257 0 -1.2888 0.29586 0 0.34869 ARG_11 -3.19688 0.11266 3.28806 -1.59191 0.61739 1.50915 1.30303 -1.61562 -0 -0 -1.0365 -0.99558 0 0 0 0 0 0 -0.04255 0.00615 3.38452 0 -0.07974 0 -1.2888 0.01319 0 0.38654 LEU_12 -4.58777 0.56068 2.44418 -0.53861 0.54888 0.12374 1.29761 -1.61856 -0 -0 -0.74989 0.06186 0 0 0 0 0 0 0.00429 0.11032 2.97232 0 -0.27844 0 0.18072 -0.11541 0 0.41593 GLY_13 -2.08996 0.14299 2.41544 -5e-05 0 0 1.09102 -1.22001 -0 -0 -0.80066 -0.38489 0 0 0 0 0 0 0.04456 0 0 0 -1.4243 0 0.83697 0.10919 0 -1.27971 THR_14 -4.25538 0.23354 2.40982 -0.20699 0.14805 0.07276 1.40273 -1.73979 -0.01116 -0.0366 -1.06582 -0.85757 0 0 0 0 0 0 0.02395 0.05075 1.10327 0 -0.76864 2.28517 -1.0874 0.32201 0 -1.9773 THR_15 -3.49846 0.44351 0.82792 -0.18004 0.12882 0.06828 0.49251 -1.03984 -0.00351 -0.01329 -0.64482 -0.25239 0 0 0 0 0 0 0.01028 0.00461 0.11196 0 0.01947 2.28555 -1.0874 0.20216 0 -2.12467 ILE_16 -6.12477 0.73946 2.43948 -0.64696 1.10644 0.12094 1.73402 -1.89645 -0.01545 -0.04873 -1.34984 0.36637 0 0 0 0 0 0 -0.0636 0.01359 1.00867 0 -0.78677 0 0.73287 -0.21827 0 -2.889 ILE_17 -3.9031 0.47041 0.79854 -0.66165 0.99218 0.13189 0.41358 -1.12998 -0.00351 -0.01329 -0.42326 0.41343 0 0 0 0 0 0 -0.03517 0.10544 0.96445 0 -0.71329 0 0.73287 -0.57525 0 -2.4357 ILE_18 -7.4837 1.93894 1.07673 -0.47873 0.59371 0.10021 1.79622 -1.70264 -0.0043 -0.01238 -1.39212 0.00672 0 0 0 0 0 0 -0.0781 0.05823 0.32839 0 -0.67315 0 0.73287 -0.44965 0 -5.64276 ARG_19 -3.1996 0.28705 1.6565 -0.6331 0.17515 0.4285 0.40847 -0.99137 -0.00981 -0.11621 -0.58832 -0.07339 0 0 0 0 0 0 -0.04947 0.00908 2.53013 0 0.03526 0 -1.2888 0.03084 0 -1.3891 ILE_20 -5.17767 1.02256 1.54371 -0.49072 0.55649 0.12024 1.51338 -1.46218 -0 -0 -1.3312 -0.16956 0 0 0 0 0 0 0.13553 0.2796 0.26379 0 -0.51239 0 0.73287 0.27797 0 -2.69758 GLY_21 -1.17213 0.08376 1.49117 -0.0002 0 0 0.30803 -0.7542 -1e-05 -3e-05 0.65954 -0.29429 0 0 0 0 0 0 -0.25475 0 0 0 -1.36813 0 0.83697 0.23466 0 -0.22962 ASP_22 -1.32429 0.0586 1.54092 -0.12249 0.02013 0.38218 0.17388 -0.76577 -0.01015 -0.03218 -0.23657 -0.17532 0 0 0 0 0 0 -0.01768 0.01729 0 2.33194 -0.2915 0 -2.3716 -0.24831 0 -1.07092 TRP_23 -5.88869 0.70307 2.14454 -0.82158 0.01571 0.30718 1.96233 -1.8841 -0 -0 -1.52889 -0.18033 0 0 0 0 0 0 0.43435 0.00605 0 1.62206 0.11298 0 1.6906 -0.4837 0 -1.78842 THR_24 -2.79789 0.20749 1.43803 -0.17613 0.11118 0.06405 0.39762 -0.96956 -0.01996 -0.14836 -0.63418 -0.20581 0 0 0 0 0 0 -0.01261 0.01958 0.14767 0 -0.10323 2.28586 -1.0874 -0.08841 0 -1.57204 ILE_25 -6.88165 1.40186 0.96409 -0.59341 1.05525 0.18343 1.87781 -1.72827 -0 -0 -1.46423 -0.28911 0 0 0 0 0 0 0.11251 0.26048 1.6833 0 -0.48796 0 0.73287 -0.07946 0 -3.25249 THR_26 -3.73769 0.60214 1.00354 -0.18079 0.12779 0.06999 0.49947 -1.13134 -0.00621 -0.03921 -0.19613 -0.28162 0 0 0 0 0 0 -0.01009 0.01084 0.19366 0 0.05359 2.2851 -1.0874 0.04987 0 -1.77451 ILE_27 -7.7987 1.23111 0.66791 -0.49374 0.51031 0.11267 2.05699 -1.89966 -0 -0 -1.46821 0.00505 0 0 0 0 0 0 -0.02787 0.55515 0.34927 0 -0.71692 0 0.73287 -0.1361 0 -6.31985 THR_28 -4.50354 0.84915 2.6078 -0.10422 0.09919 0.06543 1.57975 -1.91521 -0.02662 -0.18967 -1.63976 -0.46232 0 0 0 0 0 0 0.05595 0.21191 0.28587 0 -0.78278 2.2885 -1.0874 -0.05987 0 -2.72784 ASP_29 -1.80216 0.13991 2.17984 -0.2166 0.08611 0.68953 0.66779 -1.01863 -0 -0 0.6443 -1.41781 0 0 0 0 0 0 -0.05982 0.05931 0 2.07361 -0.79307 0 -2.3716 0.18288 0 -0.95643 GLY_30 -1.38492 0.06519 2.10357 -6e-05 0 0 0.78457 -0.98077 -0.00191 -0.02512 -0.22562 -0.38542 0 0 0 0 0 0 -0.17782 0 0 0 -1.52601 0 0.83697 -0.38111 0 -1.29846 ALA_31 -3.59547 0.60507 1.99866 -0.03012 0.00803 0 1.59041 -1.65025 -0.02042 -0.15046 -0.0192 -0.45705 0 0 0 0 0 0 0.23943 0 0 0 0.08162 0 1.8394 0.2149 0 0.65456 GLU_32 -2.42348 0.14497 2.82244 -0.21363 0.03402 0.31257 1.14482 -1.31666 -0 -0 -0.54896 -0.57487 0 0 0 0 0 0 -0.04919 0.01119 0 2.92002 -0.17433 0 -2.7348 0.55016 0 -0.09572 GLU_33 -1.94827 0.3027 2.45274 -0.21782 0.03072 0.3073 1.09133 -1.15443 -0.01436 -0.10833 -0.25765 -0.59773 0 0 0 0 0 0 -0.05146 0.00134 0 3.03202 -0.35653 0 -2.7348 -0.26744 0 -0.49066 VAL_34 -6.67598 1.29571 2.23685 -0.38048 0.40447 0.09497 2.22152 -2.27226 -0 -0 -1.26628 -0.13722 0 0 0 0 0 0 0.81017 0.01198 0.69266 0 0.36793 0 1.9342 -0.14581 0 -0.80756 ARG_35 -5.25006 0.96331 3.95697 -0.57232 0.14661 0.38681 1.94201 -2.11949 -0 -0 -1.21896 -0.00594 0 0 0 0 0 0 -0.09516 0.28205 3.45708 0 -0.0887 0 -1.2888 0.16092 0 0.65635 ARG_36 -4.45758 0.75056 4.165 -1.5928 1.12343 1.64849 1.80015 -2.01652 -0 -0 -0.84684 -1.25207 0 0 0 0 0 0 -0.05058 0.21134 4.32345 0 -0.11634 0 -1.2888 -0.04014 0 2.36075 ILE_37 -8.72119 2.12518 2.6097 -0.72733 2.35169 0.17157 2.37512 -2.50279 -0.01246 -0.08321 -1.28445 -0.27867 0 0 0 0 0 0 1.569 0.13125 1.70597 0 0.28548 0 0.73287 0.00322 0 0.45095 VAL_38 -8.98344 2.11603 2.63205 -0.31314 0.28571 0.07109 2.74401 -2.74064 -0 -0 -1.10219 -0.04011 0 0 0 0 0 0 0.17006 0.11952 0.0581 0 -0.26011 0 1.9342 0.30125 0 -3.00759 GLU_39 -4.41055 0.23136 4.78844 -0.60714 0.15348 1.11127 2.05546 -2.3366 -0 -0 -1.54695 -0.68436 0 0 0 0 0 0 -0.01555 0.13051 0 3.44824 -0.31352 0 -2.7348 -0.0302 0 -0.76093 LEU_40 -6.89899 0.91326 3.30509 -0.6941 1.58897 0.30133 1.73734 -2.43007 -0 -0 0.33176 -0.08439 0 0 0 0 0 0 0.05523 0.12804 1.31772 0 -0.20208 0 0.18072 0.03547 0 -0.4147 VAL_41 -6.91646 1.6617 1.64013 -0.27655 0.23703 0.04583 1.98225 -2.1633 -0 -0 -0.13443 0.47059 0 0 0 0 0 0 0.13077 0.10542 0.56797 0 0.12571 0 1.9342 0.26425 0 -0.32489 LEU_42 -5.55821 1.11041 3.33992 -0.50651 0.54225 0.12799 1.55601 -1.93187 -0 -0 -0.31502 0.2233 0 0 0 0 0 0 -0.0038 0.96269 0.36004 0 -0.28008 0 0.18072 -0.03397 0 -0.22612 ARG:CtermProteinFull_43 -1.96058 0.06126 3.25144 -1.61344 1.44013 2.27388 1.47941 -1.36822 -0 -0 -0.22412 -2.06186 0 0 0 0 0 0 0 0.0358 3.03635 0 0 0 -1.2888 -0.02495 0 3.03629 #END_POSE_ENERGIES_TABLE start10_0165_0001.pdb score_per_res -2.42516 total_score -104.282
HEEH_KT_rd6_2371.pdb
ATOM 1 N GLU A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA GLU A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C GLU A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O GLU A 1 1.251 2.390 0.014 1.00 0.00 O ATOM 5 CB GLU A 1 1.991 -0.764 -1.214 1.00 0.00 C ATOM 6 CG GLU A 1 1.703 -2.259 -1.192 1.00 0.00 C ATOM 7 CD GLU A 1 0.310 -2.592 -1.648 1.00 0.00 C ATOM 8 OE1 GLU A 1 -0.545 -1.744 -1.553 1.00 0.00 O ATOM 9 OE2 GLU A 1 0.100 -3.696 -2.092 1.00 0.00 O ATOM 10 1H GLU A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 11 2H GLU A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 12 3H GLU A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 13 HA GLU A 1 1.804 -0.509 0.900 1.00 0.00 H ATOM 14 1HB GLU A 1 1.555 -0.352 -2.124 1.00 0.00 H ATOM 15 2HB GLU A 1 3.071 -0.633 -1.280 1.00 0.00 H ATOM 16 1HG GLU A 1 2.416 -2.765 -1.842 1.00 0.00 H ATOM 17 2HG GLU A 1 1.847 -2.631 -0.179 1.00 0.00 H ATOM 18 N ILE A 2 3.333 1.536 -0.015 1.00 0.00 N ATOM 19 CA ILE A 2 3.990 2.830 0.120 1.00 0.00 C ATOM 20 C ILE A 2 3.742 3.704 -1.103 1.00 0.00 C ATOM 21 O ILE A 2 3.399 4.881 -0.978 1.00 0.00 O ATOM 22 CB ILE A 2 5.505 2.658 0.330 1.00 0.00 C ATOM 23 CG1 ILE A 2 5.783 1.942 1.655 1.00 0.00 C ATOM 24 CG2 ILE A 2 6.204 4.008 0.294 1.00 0.00 C ATOM 25 CD1 ILE A 2 7.218 1.496 1.818 1.00 0.00 C ATOM 26 H ILE A 2 3.898 0.706 -0.123 1.00 0.00 H ATOM 27 HA ILE A 2 3.585 3.335 0.999 1.00 0.00 H ATOM 28 HB ILE A 2 5.913 2.028 -0.460 1.00 0.00 H ATOM 29 1HG1 ILE A 2 5.535 2.603 2.484 1.00 0.00 H ATOM 30 2HG1 ILE A 2 5.143 1.063 1.735 1.00 0.00 H ATOM 31 1HG2 ILE A 2 7.275 3.868 0.445 1.00 0.00 H ATOM 32 2HG2 ILE A 2 6.033 4.481 -0.672 1.00 0.00 H ATOM 33 3HG2 ILE A 2 5.807 4.645 1.085 1.00 0.00 H ATOM 34 1HD1 ILE A 2 7.336 0.996 2.780 1.00 0.00 H ATOM 35 2HD1 ILE A 2 7.478 0.804 1.016 1.00 0.00 H ATOM 36 3HD1 ILE A 2 7.876 2.363 1.777 1.00 0.00 H ATOM 37 N GLU A 3 3.915 3.123 -2.284 1.00 0.00 N ATOM 38 CA GLU A 3 3.818 3.875 -3.530 1.00 0.00 C ATOM 39 C GLU A 3 2.425 4.464 -3.711 1.00 0.00 C ATOM 40 O GLU A 3 2.272 5.579 -4.209 1.00 0.00 O ATOM 41 CB GLU A 3 4.162 2.978 -4.722 1.00 0.00 C ATOM 42 CG GLU A 3 5.622 2.556 -4.790 1.00 0.00 C ATOM 43 CD GLU A 3 5.954 1.441 -3.838 1.00 0.00 C ATOM 44 OE1 GLU A 3 5.053 0.917 -3.230 1.00 0.00 O ATOM 45 OE2 GLU A 3 7.112 1.114 -3.718 1.00 0.00 O ATOM 46 H GLU A 3 4.120 2.135 -2.322 1.00 0.00 H ATOM 47 HA GLU A 3 4.542 4.690 -3.499 1.00 0.00 H ATOM 48 1HB GLU A 3 3.554 2.074 -4.685 1.00 0.00 H ATOM 49 2HB GLU A 3 3.920 3.498 -5.649 1.00 0.00 H ATOM 50 1HG GLU A 3 5.849 2.231 -5.805 1.00 0.00 H ATOM 51 2HG GLU A 3 6.250 3.418 -4.566 1.00 0.00 H ATOM 52 N LYS A 4 1.412 3.708 -3.302 1.00 0.00 N ATOM 53 CA LYS A 4 0.027 4.146 -3.436 1.00 0.00 C ATOM 54 C LYS A 4 -0.259 5.350 -2.549 1.00 0.00 C ATOM 55 O LYS A 4 -0.945 6.286 -2.958 1.00 0.00 O ATOM 56 CB LYS A 4 -0.932 3.004 -3.097 1.00 0.00 C ATOM 57 CG LYS A 4 -2.406 3.351 -3.258 1.00 0.00 C ATOM 58 CD LYS A 4 -2.751 3.635 -4.712 1.00 0.00 C ATOM 59 CE LYS A 4 -4.248 3.827 -4.899 1.00 0.00 C ATOM 60 NZ LYS A 4 -4.598 4.133 -6.313 1.00 0.00 N ATOM 61 H LYS A 4 1.605 2.809 -2.888 1.00 0.00 H ATOM 62 HA LYS A 4 -0.147 4.428 -4.476 1.00 0.00 H ATOM 63 1HB LYS A 4 -0.718 2.147 -3.736 1.00 0.00 H ATOM 64 2HB LYS A 4 -0.773 2.690 -2.065 1.00 0.00 H ATOM 65 1HG LYS A 4 -3.016 2.519 -2.904 1.00 0.00 H ATOM 66 2HG LYS A 4 -2.640 4.230 -2.659 1.00 0.00 H ATOM 67 1HD LYS A 4 -2.233 4.538 -5.039 1.00 0.00 H ATOM 68 2HD LYS A 4 -2.420 2.803 -5.334 1.00 0.00 H ATOM 69 1HE LYS A 4 -4.772 2.921 -4.597 1.00 0.00 H ATOM 70 2HE LYS A 4 -4.592 4.646 -4.268 1.00 0.00 H ATOM 71 1HZ LYS A 4 -5.598 4.253 -6.394 1.00 0.00 H ATOM 72 2HZ LYS A 4 -4.132 4.983 -6.599 1.00 0.00 H ATOM 73 3HZ LYS A 4 -4.302 3.372 -6.906 1.00 0.00 H ATOM 74 N TRP A 5 0.272 5.320 -1.331 1.00 0.00 N ATOM 75 CA TRP A 5 0.045 6.393 -0.370 1.00 0.00 C ATOM 76 C TRP A 5 0.759 7.670 -0.791 1.00 0.00 C ATOM 77 O TRP A 5 0.306 8.774 -0.488 1.00 0.00 O ATOM 78 CB TRP A 5 0.524 5.973 1.021 1.00 0.00 C ATOM 79 CG TRP A 5 -0.514 5.236 1.813 1.00 0.00 C ATOM 80 CD1 TRP A 5 -0.440 3.949 2.256 1.00 0.00 C ATOM 81 CD2 TRP A 5 -1.793 5.743 2.265 1.00 0.00 C ATOM 82 NE1 TRP A 5 -1.580 3.621 2.946 1.00 0.00 N ATOM 83 CE2 TRP A 5 -2.418 4.707 2.963 1.00 0.00 C ATOM 84 CE3 TRP A 5 -2.447 6.974 2.134 1.00 0.00 C ATOM 85 CZ2 TRP A 5 -3.673 4.858 3.533 1.00 0.00 C ATOM 86 CZ3 TRP A 5 -3.705 7.127 2.707 1.00 0.00 C ATOM 87 CH2 TRP A 5 -4.301 6.096 3.388 1.00 0.00 C ATOM 88 H TRP A 5 0.848 4.535 -1.065 1.00 0.00 H ATOM 89 HA TRP A 5 -1.026 6.592 -0.319 1.00 0.00 H ATOM 90 1HB TRP A 5 1.401 5.332 0.926 1.00 0.00 H ATOM 91 2HB TRP A 5 0.823 6.856 1.585 1.00 0.00 H ATOM 92 HD1 TRP A 5 0.401 3.279 2.085 1.00 0.00 H ATOM 93 HE1 TRP A 5 -1.772 2.725 3.373 1.00 0.00 H ATOM 94 HE3 TRP A 5 -1.977 7.797 1.597 1.00 0.00 H ATOM 95 HZ2 TRP A 5 -4.163 4.051 4.078 1.00 0.00 H ATOM 96 HZ3 TRP A 5 -4.207 8.088 2.600 1.00 0.00 H ATOM 97 HH2 TRP A 5 -5.288 6.250 3.825 1.00 0.00 H ATOM 98 N LEU A 6 1.877 7.514 -1.491 1.00 0.00 N ATOM 99 CA LEU A 6 2.594 8.652 -2.054 1.00 0.00 C ATOM 100 C LEU A 6 1.755 9.368 -3.104 1.00 0.00 C ATOM 101 O LEU A 6 1.736 10.597 -3.166 1.00 0.00 O ATOM 102 CB LEU A 6 3.918 8.188 -2.676 1.00 0.00 C ATOM 103 CG LEU A 6 4.999 7.742 -1.683 1.00 0.00 C ATOM 104 CD1 LEU A 6 6.164 7.125 -2.445 1.00 0.00 C ATOM 105 CD2 LEU A 6 5.456 8.936 -0.859 1.00 0.00 C ATOM 106 H LEU A 6 2.240 6.583 -1.637 1.00 0.00 H ATOM 107 HA LEU A 6 2.819 9.353 -1.249 1.00 0.00 H ATOM 108 1HB LEU A 6 3.714 7.352 -3.342 1.00 0.00 H ATOM 109 2HB LEU A 6 4.329 9.006 -3.268 1.00 0.00 H ATOM 110 HG LEU A 6 4.592 6.978 -1.021 1.00 0.00 H ATOM 111 1HD1 LEU A 6 6.933 6.808 -1.740 1.00 0.00 H ATOM 112 2HD1 LEU A 6 5.813 6.262 -3.010 1.00 0.00 H ATOM 113 3HD1 LEU A 6 6.583 7.862 -3.129 1.00 0.00 H ATOM 114 1HD2 LEU A 6 6.224 8.619 -0.153 1.00 0.00 H ATOM 115 2HD2 LEU A 6 5.864 9.701 -1.520 1.00 0.00 H ATOM 116 3HD2 LEU A 6 4.607 9.347 -0.311 1.00 0.00 H ATOM 117 N GLU A 7 1.062 8.590 -3.930 1.00 0.00 N ATOM 118 CA GLU A 7 0.197 9.149 -4.962 1.00 0.00 C ATOM 119 C GLU A 7 -1.074 9.732 -4.361 1.00 0.00 C ATOM 120 O GLU A 7 -1.568 10.766 -4.812 1.00 0.00 O ATOM 121 CB GLU A 7 -0.161 8.077 -5.995 1.00 0.00 C ATOM 122 CG GLU A 7 1.000 7.642 -6.878 1.00 0.00 C ATOM 123 CD GLU A 7 0.577 6.718 -7.986 1.00 0.00 C ATOM 124 OE1 GLU A 7 -0.564 6.322 -8.002 1.00 0.00 O ATOM 125 OE2 GLU A 7 1.396 6.408 -8.819 1.00 0.00 O ATOM 126 H GLU A 7 1.135 7.587 -3.839 1.00 0.00 H ATOM 127 HA GLU A 7 0.739 9.944 -5.475 1.00 0.00 H ATOM 128 1HB GLU A 7 -0.543 7.193 -5.484 1.00 0.00 H ATOM 129 2HB GLU A 7 -0.954 8.449 -6.644 1.00 0.00 H ATOM 130 1HG GLU A 7 1.462 8.527 -7.315 1.00 0.00 H ATOM 131 2HG GLU A 7 1.745 7.143 -6.260 1.00 0.00 H ATOM 132 N LEU A 8 -1.600 9.065 -3.340 1.00 0.00 N ATOM 133 CA LEU A 8 -2.855 9.476 -2.721 1.00 0.00 C ATOM 134 C LEU A 8 -2.727 10.849 -2.076 1.00 0.00 C ATOM 135 O LEU A 8 -3.598 11.704 -2.236 1.00 0.00 O ATOM 136 CB LEU A 8 -3.288 8.448 -1.668 1.00 0.00 C ATOM 137 CG LEU A 8 -3.881 7.143 -2.216 1.00 0.00 C ATOM 138 CD1 LEU A 8 -4.023 6.135 -1.085 1.00 0.00 C ATOM 139 CD2 LEU A 8 -5.227 7.430 -2.865 1.00 0.00 C ATOM 140 H LEU A 8 -1.119 8.251 -2.983 1.00 0.00 H ATOM 141 HA LEU A 8 -3.624 9.521 -3.494 1.00 0.00 H ATOM 142 1HB LEU A 8 -2.423 8.188 -1.060 1.00 0.00 H ATOM 143 2HB LEU A 8 -4.036 8.906 -1.022 1.00 0.00 H ATOM 144 HG LEU A 8 -3.204 6.719 -2.958 1.00 0.00 H ATOM 145 1HD1 LEU A 8 -4.444 5.208 -1.474 1.00 0.00 H ATOM 146 2HD1 LEU A 8 -3.043 5.933 -0.652 1.00 0.00 H ATOM 147 3HD1 LEU A 8 -4.683 6.539 -0.318 1.00 0.00 H ATOM 148 1HD2 LEU A 8 -5.648 6.503 -3.255 1.00 0.00 H ATOM 149 2HD2 LEU A 8 -5.905 7.853 -2.123 1.00 0.00 H ATOM 150 3HD2 LEU A 8 -5.094 8.140 -3.681 1.00 0.00 H ATOM 151 N VAL A 9 -1.637 11.056 -1.346 1.00 0.00 N ATOM 152 CA VAL A 9 -1.429 12.298 -0.612 1.00 0.00 C ATOM 153 C VAL A 9 -1.091 13.446 -1.554 1.00 0.00 C ATOM 154 O VAL A 9 -1.493 14.587 -1.328 1.00 0.00 O ATOM 155 CB VAL A 9 -0.293 12.129 0.414 1.00 0.00 C ATOM 156 CG1 VAL A 9 1.061 12.183 -0.277 1.00 0.00 C ATOM 157 CG2 VAL A 9 -0.396 13.206 1.483 1.00 0.00 C ATOM 158 H VAL A 9 -0.932 10.333 -1.299 1.00 0.00 H ATOM 159 HA VAL A 9 -2.350 12.542 -0.079 1.00 0.00 H ATOM 160 HB VAL A 9 -0.378 11.146 0.878 1.00 0.00 H ATOM 161 1HG1 VAL A 9 1.853 12.061 0.463 1.00 0.00 H ATOM 162 2HG1 VAL A 9 1.126 11.381 -1.012 1.00 0.00 H ATOM 163 3HG1 VAL A 9 1.177 13.145 -0.776 1.00 0.00 H ATOM 164 1HG2 VAL A 9 0.409 13.080 2.206 1.00 0.00 H ATOM 165 2HG2 VAL A 9 -0.317 14.189 1.018 1.00 0.00 H ATOM 166 3HG2 VAL A 9 -1.357 13.122 1.993 1.00 0.00 H ATOM 167 N ARG A 10 -0.350 13.136 -2.613 1.00 0.00 N ATOM 168 CA ARG A 10 0.036 14.140 -3.597 1.00 0.00 C ATOM 169 C ARG A 10 -1.181 14.704 -4.317 1.00 0.00 C ATOM 170 O ARG A 10 -1.276 15.910 -4.546 1.00 0.00 O ATOM 171 CB ARG A 10 0.996 13.547 -4.618 1.00 0.00 C ATOM 172 CG ARG A 10 1.487 14.523 -5.676 1.00 0.00 C ATOM 173 CD ARG A 10 2.338 15.588 -5.088 1.00 0.00 C ATOM 174 NE ARG A 10 2.751 16.563 -6.084 1.00 0.00 N ATOM 175 CZ ARG A 10 2.028 17.641 -6.447 1.00 0.00 C ATOM 176 NH1 ARG A 10 0.860 17.867 -5.887 1.00 0.00 N ATOM 177 NH2 ARG A 10 2.493 18.470 -7.365 1.00 0.00 N ATOM 178 H ARG A 10 -0.047 12.181 -2.739 1.00 0.00 H ATOM 179 HA ARG A 10 0.545 14.954 -3.079 1.00 0.00 H ATOM 180 1HB ARG A 10 1.871 13.149 -4.106 1.00 0.00 H ATOM 181 2HB ARG A 10 0.512 12.717 -5.133 1.00 0.00 H ATOM 182 1HG ARG A 10 2.075 13.986 -6.421 1.00 0.00 H ATOM 183 2HG ARG A 10 0.631 14.995 -6.160 1.00 0.00 H ATOM 184 1HD ARG A 10 1.782 16.111 -4.310 1.00 0.00 H ATOM 185 2HD ARG A 10 3.233 15.142 -4.656 1.00 0.00 H ATOM 186 HE ARG A 10 3.645 16.423 -6.537 1.00 0.00 H ATOM 187 1HH1 ARG A 10 0.505 17.233 -5.185 1.00 0.00 H ATOM 188 2HH1 ARG A 10 0.318 18.674 -6.159 1.00 0.00 H ATOM 189 1HH2 ARG A 10 3.391 18.296 -7.795 1.00 0.00 H ATOM 190 2HH2 ARG A 10 1.951 19.277 -7.636 1.00 0.00 H ATOM 191 N ARG A 11 -2.113 13.826 -4.673 1.00 0.00 N ATOM 192 CA ARG A 11 -3.336 14.237 -5.348 1.00 0.00 C ATOM 193 C ARG A 11 -4.310 14.890 -4.376 1.00 0.00 C ATOM 194 O ARG A 11 -4.983 15.864 -4.716 1.00 0.00 O ATOM 195 CB ARG A 11 -4.009 13.043 -6.010 1.00 0.00 C ATOM 196 CG ARG A 11 -5.312 13.360 -6.727 1.00 0.00 C ATOM 197 CD ARG A 11 -5.091 14.242 -7.902 1.00 0.00 C ATOM 198 NE ARG A 11 -6.341 14.597 -8.555 1.00 0.00 N ATOM 199 CZ ARG A 11 -7.132 15.624 -8.188 1.00 0.00 C ATOM 200 NH1 ARG A 11 -6.790 16.386 -7.173 1.00 0.00 N ATOM 201 NH2 ARG A 11 -8.251 15.865 -8.848 1.00 0.00 N ATOM 202 H ARG A 11 -1.968 12.846 -4.468 1.00 0.00 H ATOM 203 HA ARG A 11 -3.077 14.960 -6.123 1.00 0.00 H ATOM 204 1HB ARG A 11 -3.331 12.601 -6.738 1.00 0.00 H ATOM 205 2HB ARG A 11 -4.223 12.283 -5.258 1.00 0.00 H ATOM 206 1HG ARG A 11 -5.770 12.434 -7.076 1.00 0.00 H ATOM 207 2HG ARG A 11 -5.992 13.865 -6.041 1.00 0.00 H ATOM 208 1HD ARG A 11 -4.603 15.161 -7.579 1.00 0.00 H ATOM 209 2HD ARG A 11 -4.460 13.731 -8.627 1.00 0.00 H ATOM 210 HE ARG A 11 -6.637 14.033 -9.341 1.00 0.00 H ATOM 211 1HH1 ARG A 11 -5.935 16.202 -6.668 1.00 0.00 H ATOM 212 2HH1 ARG A 11 -7.383 17.156 -6.897 1.00 0.00 H ATOM 213 1HH2 ARG A 11 -8.514 15.279 -9.629 1.00 0.00 H ATOM 214 2HH2 ARG A 11 -8.844 16.634 -8.573 1.00 0.00 H ATOM 215 N ALA A 12 -4.381 14.351 -3.164 1.00 0.00 N ATOM 216 CA ALA A 12 -5.311 14.847 -2.157 1.00 0.00 C ATOM 217 C ALA A 12 -5.027 16.303 -1.816 1.00 0.00 C ATOM 218 O ALA A 12 -5.948 17.108 -1.676 1.00 0.00 O ATOM 219 CB ALA A 12 -5.242 13.987 -0.904 1.00 0.00 C ATOM 220 H ALA A 12 -3.773 13.576 -2.935 1.00 0.00 H ATOM 221 HA ALA A 12 -6.324 14.770 -2.554 1.00 0.00 H ATOM 222 1HB ALA A 12 -5.943 14.370 -0.161 1.00 0.00 H ATOM 223 2HB ALA A 12 -5.504 12.958 -1.153 1.00 0.00 H ATOM 224 3HB ALA A 12 -4.232 14.015 -0.498 1.00 0.00 H ATOM 225 N GLY A 13 -3.748 16.637 -1.682 1.00 0.00 N ATOM 226 CA GLY A 13 -3.339 18.008 -1.403 1.00 0.00 C ATOM 227 C GLY A 13 -3.302 18.276 0.097 1.00 0.00 C ATOM 228 O GLY A 13 -3.089 19.409 0.530 1.00 0.00 O ATOM 229 H GLY A 13 -3.041 15.923 -1.778 1.00 0.00 H ATOM 230 1HA GLY A 13 -2.354 18.190 -1.833 1.00 0.00 H ATOM 231 2HA GLY A 13 -4.031 18.700 -1.882 1.00 0.00 H ATOM 232 N HIS A 14 -3.509 17.228 0.886 1.00 0.00 N ATOM 233 CA HIS A 14 -3.488 17.346 2.339 1.00 0.00 C ATOM 234 C HIS A 14 -3.033 16.046 2.990 1.00 0.00 C ATOM 235 O HIS A 14 -3.017 14.993 2.352 1.00 0.00 O ATOM 236 CB HIS A 14 -4.871 17.734 2.871 1.00 0.00 C ATOM 237 CG HIS A 14 -5.954 16.771 2.491 1.00 0.00 C ATOM 238 ND1 HIS A 14 -6.217 15.626 3.212 1.00 0.00 N ATOM 239 CD2 HIS A 14 -6.838 16.783 1.466 1.00 0.00 C ATOM 240 CE1 HIS A 14 -7.219 14.974 2.646 1.00 0.00 C ATOM 241 NE2 HIS A 14 -7.612 15.656 1.586 1.00 0.00 N ATOM 242 H HIS A 14 -3.687 16.325 0.468 1.00 0.00 H ATOM 243 HA HIS A 14 -2.789 18.138 2.612 1.00 0.00 H ATOM 244 1HB HIS A 14 -4.838 17.797 3.959 1.00 0.00 H ATOM 245 2HB HIS A 14 -5.143 18.719 2.493 1.00 0.00 H ATOM 246 HD1 HIS A 14 -5.788 15.358 4.075 1.00 0.00 H ATOM 247 HD2 HIS A 14 -7.010 17.479 0.645 1.00 0.00 H ATOM 248 HE1 HIS A 14 -7.581 14.038 3.069 1.00 0.00 H ATOM 249 N THR A 15 -2.664 16.127 4.264 1.00 0.00 N ATOM 250 CA THR A 15 -2.213 14.956 5.007 1.00 0.00 C ATOM 251 C THR A 15 -3.306 13.898 5.086 1.00 0.00 C ATOM 252 O THR A 15 -4.462 14.207 5.378 1.00 0.00 O ATOM 253 CB THR A 15 -1.762 15.341 6.428 1.00 0.00 C ATOM 254 OG1 THR A 15 -0.753 16.356 6.353 1.00 0.00 O ATOM 255 CG2 THR A 15 -1.204 14.129 7.158 1.00 0.00 C ATOM 256 H THR A 15 -2.698 17.023 4.730 1.00 0.00 H ATOM 257 HA THR A 15 -1.351 14.531 4.491 1.00 0.00 H ATOM 258 HB THR A 15 -2.612 15.734 6.985 1.00 0.00 H ATOM 259 HG1 THR A 15 -0.572 16.692 7.235 1.00 0.00 H ATOM 260 1HG2 THR A 15 -0.891 14.420 8.160 1.00 0.00 H ATOM 261 2HG2 THR A 15 -1.973 13.360 7.226 1.00 0.00 H ATOM 262 3HG2 THR A 15 -0.347 13.738 6.610 1.00 0.00 H ATOM 263 N LEU A 16 -2.936 12.650 4.822 1.00 0.00 N ATOM 264 CA LEU A 16 -3.874 11.538 4.907 1.00 0.00 C ATOM 265 C LEU A 16 -3.555 10.637 6.093 1.00 0.00 C ATOM 266 O LEU A 16 -2.392 10.472 6.465 1.00 0.00 O ATOM 267 CB LEU A 16 -3.844 10.718 3.612 1.00 0.00 C ATOM 268 CG LEU A 16 -4.154 11.494 2.325 1.00 0.00 C ATOM 269 CD1 LEU A 16 -4.036 10.562 1.128 1.00 0.00 C ATOM 270 CD2 LEU A 16 -5.550 12.092 2.418 1.00 0.00 C ATOM 271 H LEU A 16 -1.979 12.467 4.556 1.00 0.00 H ATOM 272 HA LEU A 16 -4.880 11.943 5.037 1.00 0.00 H ATOM 273 1HB LEU A 16 -2.854 10.278 3.502 1.00 0.00 H ATOM 274 2HB LEU A 16 -4.570 9.910 3.694 1.00 0.00 H ATOM 275 HG LEU A 16 -3.424 12.294 2.198 1.00 0.00 H ATOM 276 1HD1 LEU A 16 -4.257 11.114 0.214 1.00 0.00 H ATOM 277 2HD1 LEU A 16 -3.023 10.164 1.075 1.00 0.00 H ATOM 278 3HD1 LEU A 16 -4.744 9.741 1.235 1.00 0.00 H ATOM 279 1HD2 LEU A 16 -5.770 12.645 1.504 1.00 0.00 H ATOM 280 2HD2 LEU A 16 -6.281 11.293 2.544 1.00 0.00 H ATOM 281 3HD2 LEU A 16 -5.601 12.768 3.272 1.00 0.00 H ATOM 282 N THR A 17 -4.592 10.055 6.684 1.00 0.00 N ATOM 283 CA THR A 17 -4.423 9.153 7.817 1.00 0.00 C ATOM 284 C THR A 17 -5.257 7.891 7.646 1.00 0.00 C ATOM 285 O THR A 17 -6.235 7.877 6.898 1.00 0.00 O ATOM 286 CB THR A 17 -4.800 9.847 9.139 1.00 0.00 C ATOM 287 OG1 THR A 17 -6.180 10.233 9.102 1.00 0.00 O ATOM 288 CG2 THR A 17 -3.938 11.082 9.358 1.00 0.00 C ATOM 289 H THR A 17 -5.524 10.241 6.339 1.00 0.00 H ATOM 290 HA THR A 17 -3.371 8.871 7.880 1.00 0.00 H ATOM 291 HB THR A 17 -4.652 9.156 9.968 1.00 0.00 H ATOM 292 HG1 THR A 17 -6.732 9.453 9.192 1.00 0.00 H ATOM 293 1HG2 THR A 17 -4.218 11.559 10.297 1.00 0.00 H ATOM 294 2HG2 THR A 17 -2.889 10.790 9.397 1.00 0.00 H ATOM 295 3HG2 THR A 17 -4.089 11.781 8.537 1.00 0.00 H ATOM 296 N THR A 18 -4.867 6.830 8.345 1.00 0.00 N ATOM 297 CA THR A 18 -5.658 5.605 8.386 1.00 0.00 C ATOM 298 C THR A 18 -5.347 4.791 9.634 1.00 0.00 C ATOM 299 O THR A 18 -4.270 4.916 10.217 1.00 0.00 O ATOM 300 CB THR A 18 -5.412 4.745 7.133 1.00 0.00 C ATOM 301 OG1 THR A 18 -6.311 3.628 7.134 1.00 0.00 O ATOM 302 CG2 THR A 18 -3.979 4.237 7.106 1.00 0.00 C ATOM 303 H THR A 18 -3.999 6.872 8.860 1.00 0.00 H ATOM 304 HA THR A 18 -6.714 5.876 8.398 1.00 0.00 H ATOM 305 HB THR A 18 -5.597 5.341 6.240 1.00 0.00 H ATOM 306 HG1 THR A 18 -6.435 3.317 6.234 1.00 0.00 H ATOM 307 1HG2 THR A 18 -3.824 3.631 6.214 1.00 0.00 H ATOM 308 2HG2 THR A 18 -3.293 5.084 7.094 1.00 0.00 H ATOM 309 3HG2 THR A 18 -3.791 3.632 7.992 1.00 0.00 H ATOM 310 N THR A 19 -6.298 3.956 10.041 1.00 0.00 N ATOM 311 CA THR A 19 -6.130 3.124 11.227 1.00 0.00 C ATOM 312 C THR A 19 -6.019 1.651 10.854 1.00 0.00 C ATOM 313 O THR A 19 -6.820 1.135 10.075 1.00 0.00 O ATOM 314 CB THR A 19 -7.297 3.322 12.213 1.00 0.00 C ATOM 315 OG1 THR A 19 -7.359 4.697 12.613 1.00 0.00 O ATOM 316 CG2 THR A 19 -7.110 2.447 13.443 1.00 0.00 C ATOM 317 H THR A 19 -7.158 3.896 9.516 1.00 0.00 H ATOM 318 HA THR A 19 -5.214 3.427 11.735 1.00 0.00 H ATOM 319 HB THR A 19 -8.234 3.057 11.724 1.00 0.00 H ATOM 320 HG1 THR A 19 -7.731 5.221 11.900 1.00 0.00 H ATOM 321 1HG2 THR A 19 -7.944 2.600 14.128 1.00 0.00 H ATOM 322 2HG2 THR A 19 -7.074 1.400 13.143 1.00 0.00 H ATOM 323 3HG2 THR A 19 -6.179 2.714 13.941 1.00 0.00 H ATOM 324 N LEU A 20 -5.020 0.978 11.416 1.00 0.00 N ATOM 325 CA LEU A 20 -4.826 -0.447 11.178 1.00 0.00 C ATOM 326 C LEU A 20 -4.608 -1.199 12.484 1.00 0.00 C ATOM 327 O LEU A 20 -3.497 -1.230 13.015 1.00 0.00 O ATOM 328 CB LEU A 20 -3.629 -0.671 10.245 1.00 0.00 C ATOM 329 CG LEU A 20 -3.432 -2.110 9.750 1.00 0.00 C ATOM 330 CD1 LEU A 20 -2.575 -2.101 8.491 1.00 0.00 C ATOM 331 CD2 LEU A 20 -2.783 -2.940 10.848 1.00 0.00 C ATOM 332 H LEU A 20 -4.379 1.466 12.025 1.00 0.00 H ATOM 333 HA LEU A 20 -5.721 -0.841 10.693 1.00 0.00 H ATOM 334 1HB LEU A 20 -3.746 -0.033 9.371 1.00 0.00 H ATOM 335 2HB LEU A 20 -2.721 -0.373 10.768 1.00 0.00 H ATOM 336 HG LEU A 20 -4.399 -2.542 9.492 1.00 0.00 H ATOM 337 1HD1 LEU A 20 -2.435 -3.123 8.140 1.00 0.00 H ATOM 338 2HD1 LEU A 20 -3.072 -1.516 7.717 1.00 0.00 H ATOM 339 3HD1 LEU A 20 -1.605 -1.658 8.715 1.00 0.00 H ATOM 340 1HD2 LEU A 20 -2.643 -3.962 10.496 1.00 0.00 H ATOM 341 2HD2 LEU A 20 -1.815 -2.509 11.105 1.00 0.00 H ATOM 342 3HD2 LEU A 20 -3.424 -2.943 11.729 1.00 0.00 H ATOM 343 N GLY A 21 -5.673 -1.806 12.996 1.00 0.00 N ATOM 344 CA GLY A 21 -5.625 -2.473 14.292 1.00 0.00 C ATOM 345 C GLY A 21 -5.488 -1.466 15.426 1.00 0.00 C ATOM 346 O GLY A 21 -6.393 -0.670 15.675 1.00 0.00 O ATOM 347 H GLY A 21 -6.539 -1.805 12.476 1.00 0.00 H ATOM 348 1HA GLY A 21 -6.531 -3.063 14.432 1.00 0.00 H ATOM 349 2HA GLY A 21 -4.784 -3.166 14.313 1.00 0.00 H ATOM 350 N THR A 22 -4.351 -1.505 16.111 1.00 0.00 N ATOM 351 CA THR A 22 -4.110 -0.625 17.248 1.00 0.00 C ATOM 352 C THR A 22 -3.055 0.424 16.919 1.00 0.00 C ATOM 353 O THR A 22 -2.607 1.163 17.797 1.00 0.00 O ATOM 354 CB THR A 22 -3.673 -1.427 18.488 1.00 0.00 C ATOM 355 OG1 THR A 22 -2.455 -2.128 18.202 1.00 0.00 O ATOM 356 CG2 THR A 22 -4.748 -2.427 18.883 1.00 0.00 C ATOM 357 H THR A 22 -3.633 -2.161 15.838 1.00 0.00 H ATOM 358 HA THR A 22 -5.043 -0.116 17.496 1.00 0.00 H ATOM 359 HB THR A 22 -3.496 -0.745 19.319 1.00 0.00 H ATOM 360 HG1 THR A 22 -1.725 -1.504 18.181 1.00 0.00 H ATOM 361 1HG2 THR A 22 -4.422 -2.985 19.760 1.00 0.00 H ATOM 362 2HG2 THR A 22 -5.672 -1.897 19.112 1.00 0.00 H ATOM 363 3HG2 THR A 22 -4.922 -3.118 18.059 1.00 0.00 H ATOM 364 N ILE A 23 -2.664 0.485 15.652 1.00 0.00 N ATOM 365 CA ILE A 23 -1.681 1.463 15.199 1.00 0.00 C ATOM 366 C ILE A 23 -2.255 2.355 14.107 1.00 0.00 C ATOM 367 O ILE A 23 -3.210 1.983 13.425 1.00 0.00 O ATOM 368 CB ILE A 23 -0.412 0.765 14.677 1.00 0.00 C ATOM 369 CG1 ILE A 23 -0.754 -0.160 13.506 1.00 0.00 C ATOM 370 CG2 ILE A 23 0.265 -0.013 15.795 1.00 0.00 C ATOM 371 CD1 ILE A 23 0.457 -0.682 12.767 1.00 0.00 C ATOM 372 H ILE A 23 -3.056 -0.163 14.984 1.00 0.00 H ATOM 373 HA ILE A 23 -1.397 2.087 16.048 1.00 0.00 H ATOM 374 HB ILE A 23 0.283 1.513 14.296 1.00 0.00 H ATOM 375 1HG1 ILE A 23 -1.325 -1.013 13.871 1.00 0.00 H ATOM 376 2HG1 ILE A 23 -1.383 0.373 12.793 1.00 0.00 H ATOM 377 1HG2 ILE A 23 1.160 -0.501 15.409 1.00 0.00 H ATOM 378 2HG2 ILE A 23 0.541 0.669 16.598 1.00 0.00 H ATOM 379 3HG2 ILE A 23 -0.421 -0.768 16.180 1.00 0.00 H ATOM 380 1HD1 ILE A 23 0.134 -1.330 11.952 1.00 0.00 H ATOM 381 2HD1 ILE A 23 1.026 0.155 12.362 1.00 0.00 H ATOM 382 3HD1 ILE A 23 1.085 -1.250 13.453 1.00 0.00 H ATOM 383 N THR A 24 -1.668 3.536 13.945 1.00 0.00 N ATOM 384 CA THR A 24 -2.159 4.510 12.977 1.00 0.00 C ATOM 385 C THR A 24 -1.052 4.949 12.027 1.00 0.00 C ATOM 386 O THR A 24 0.128 4.918 12.376 1.00 0.00 O ATOM 387 CB THR A 24 -2.752 5.743 13.684 1.00 0.00 C ATOM 388 OG1 THR A 24 -1.738 6.381 14.470 1.00 0.00 O ATOM 389 CG2 THR A 24 -3.907 5.336 14.587 1.00 0.00 C ATOM 390 H THR A 24 -0.859 3.765 14.506 1.00 0.00 H ATOM 391 HA THR A 24 -2.957 4.048 12.396 1.00 0.00 H ATOM 392 HB THR A 24 -3.114 6.450 12.938 1.00 0.00 H ATOM 393 HG1 THR A 24 -1.132 6.849 13.890 1.00 0.00 H ATOM 394 1HG2 THR A 24 -4.314 6.219 15.078 1.00 0.00 H ATOM 395 2HG2 THR A 24 -4.685 4.860 13.991 1.00 0.00 H ATOM 396 3HG2 THR A 24 -3.549 4.635 15.341 1.00 0.00 H ATOM 397 N LEU A 25 -1.440 5.358 10.824 1.00 0.00 N ATOM 398 CA LEU A 25 -0.491 5.882 9.850 1.00 0.00 C ATOM 399 C LEU A 25 -0.796 7.334 9.508 1.00 0.00 C ATOM 400 O LEU A 25 -1.956 7.713 9.343 1.00 0.00 O ATOM 401 CB LEU A 25 -0.521 5.033 8.572 1.00 0.00 C ATOM 402 CG LEU A 25 0.044 5.704 7.314 1.00 0.00 C ATOM 403 CD1 LEU A 25 1.555 5.841 7.445 1.00 0.00 C ATOM 404 CD2 LEU A 25 -0.326 4.881 6.089 1.00 0.00 C ATOM 405 H LEU A 25 -2.419 5.305 10.579 1.00 0.00 H ATOM 406 HA LEU A 25 0.511 5.825 10.277 1.00 0.00 H ATOM 407 1HB LEU A 25 0.051 4.123 8.747 1.00 0.00 H ATOM 408 2HB LEU A 25 -1.553 4.754 8.364 1.00 0.00 H ATOM 409 HG LEU A 25 -0.374 6.706 7.218 1.00 0.00 H ATOM 410 1HD1 LEU A 25 1.956 6.318 6.551 1.00 0.00 H ATOM 411 2HD1 LEU A 25 1.791 6.450 8.318 1.00 0.00 H ATOM 412 3HD1 LEU A 25 2.001 4.853 7.560 1.00 0.00 H ATOM 413 1HD2 LEU A 25 0.074 5.359 5.195 1.00 0.00 H ATOM 414 2HD2 LEU A 25 0.093 3.879 6.184 1.00 0.00 H ATOM 415 3HD2 LEU A 25 -1.412 4.814 6.010 1.00 0.00 H ATOM 416 N THR A 26 0.251 8.144 9.403 1.00 0.00 N ATOM 417 CA THR A 26 0.127 9.490 8.856 1.00 0.00 C ATOM 418 C THR A 26 1.008 9.668 7.627 1.00 0.00 C ATOM 419 O THR A 26 2.208 9.395 7.665 1.00 0.00 O ATOM 420 CB THR A 26 0.489 10.553 9.910 1.00 0.00 C ATOM 421 OG1 THR A 26 -0.361 10.404 11.055 1.00 0.00 O ATOM 422 CG2 THR A 26 0.321 11.951 9.337 1.00 0.00 C ATOM 423 H THR A 26 1.157 7.820 9.711 1.00 0.00 H ATOM 424 HA THR A 26 -0.911 9.653 8.569 1.00 0.00 H ATOM 425 HB THR A 26 1.524 10.416 10.224 1.00 0.00 H ATOM 426 HG1 THR A 26 -0.116 9.608 11.533 1.00 0.00 H ATOM 427 1HG2 THR A 26 0.582 12.689 10.096 1.00 0.00 H ATOM 428 2HG2 THR A 26 0.976 12.072 8.474 1.00 0.00 H ATOM 429 3HG2 THR A 26 -0.714 12.097 9.031 1.00 0.00 H ATOM 430 N VAL A 27 0.406 10.128 6.536 1.00 0.00 N ATOM 431 CA VAL A 27 1.129 10.318 5.284 1.00 0.00 C ATOM 432 C VAL A 27 1.380 11.795 5.011 1.00 0.00 C ATOM 433 O VAL A 27 0.457 12.540 4.679 1.00 0.00 O ATOM 434 CB VAL A 27 0.336 9.710 4.111 1.00 0.00 C ATOM 435 CG1 VAL A 27 1.116 9.849 2.812 1.00 0.00 C ATOM 436 CG2 VAL A 27 0.024 8.249 4.399 1.00 0.00 C ATOM 437 H VAL A 27 -0.579 10.352 6.574 1.00 0.00 H ATOM 438 HA VAL A 27 2.090 9.808 5.358 1.00 0.00 H ATOM 439 HB VAL A 27 -0.594 10.264 3.988 1.00 0.00 H ATOM 440 1HG1 VAL A 27 0.542 9.415 1.994 1.00 0.00 H ATOM 441 2HG1 VAL A 27 1.297 10.904 2.608 1.00 0.00 H ATOM 442 3HG1 VAL A 27 2.069 9.328 2.903 1.00 0.00 H ATOM 443 1HG2 VAL A 27 -0.536 7.826 3.566 1.00 0.00 H ATOM 444 2HG2 VAL A 27 0.955 7.697 4.528 1.00 0.00 H ATOM 445 3HG2 VAL A 27 -0.570 8.177 5.311 1.00 0.00 H ATOM 446 N PHE A 28 2.632 12.214 5.153 1.00 0.00 N ATOM 447 CA PHE A 28 2.966 13.633 5.203 1.00 0.00 C ATOM 448 C PHE A 28 3.268 14.177 3.812 1.00 0.00 C ATOM 449 O PHE A 28 4.185 13.708 3.138 1.00 0.00 O ATOM 450 CB PHE A 28 4.167 13.867 6.120 1.00 0.00 C ATOM 451 CG PHE A 28 3.903 13.539 7.561 1.00 0.00 C ATOM 452 CD1 PHE A 28 4.070 12.246 8.036 1.00 0.00 C ATOM 453 CD2 PHE A 28 3.485 14.521 8.446 1.00 0.00 C ATOM 454 CE1 PHE A 28 3.826 11.943 9.362 1.00 0.00 C ATOM 455 CE2 PHE A 28 3.242 14.221 9.773 1.00 0.00 C ATOM 456 CZ PHE A 28 3.413 12.930 10.230 1.00 0.00 C ATOM 457 H PHE A 28 3.373 11.532 5.228 1.00 0.00 H ATOM 458 HA PHE A 28 2.112 14.175 5.612 1.00 0.00 H ATOM 459 1HB PHE A 28 5.007 13.260 5.782 1.00 0.00 H ATOM 460 2HB PHE A 28 4.473 14.910 6.059 1.00 0.00 H ATOM 461 HD1 PHE A 28 4.398 11.465 7.349 1.00 0.00 H ATOM 462 HD2 PHE A 28 3.350 15.541 8.085 1.00 0.00 H ATOM 463 HE1 PHE A 28 3.961 10.923 9.721 1.00 0.00 H ATOM 464 HE2 PHE A 28 2.915 15.003 10.458 1.00 0.00 H ATOM 465 HZ PHE A 28 3.219 12.692 11.275 1.00 0.00 H ATOM 466 N LEU A 29 2.492 15.168 3.388 1.00 0.00 N ATOM 467 CA LEU A 29 2.630 15.731 2.050 1.00 0.00 C ATOM 468 C LEU A 29 3.904 16.555 1.929 1.00 0.00 C ATOM 469 O LEU A 29 4.142 17.470 2.717 1.00 0.00 O ATOM 470 CB LEU A 29 1.415 16.605 1.714 1.00 0.00 C ATOM 471 CG LEU A 29 1.427 17.257 0.326 1.00 0.00 C ATOM 472 CD1 LEU A 29 1.429 16.173 -0.745 1.00 0.00 C ATOM 473 CD2 LEU A 29 0.217 18.167 0.181 1.00 0.00 C ATOM 474 H LEU A 29 1.787 15.542 4.009 1.00 0.00 H ATOM 475 HA LEU A 29 2.673 14.911 1.332 1.00 0.00 H ATOM 476 1HB LEU A 29 0.517 15.993 1.784 1.00 0.00 H ATOM 477 2HB LEU A 29 1.345 17.402 2.454 1.00 0.00 H ATOM 478 HG LEU A 29 2.339 17.843 0.207 1.00 0.00 H ATOM 479 1HD1 LEU A 29 1.438 16.637 -1.731 1.00 0.00 H ATOM 480 2HD1 LEU A 29 2.315 15.549 -0.629 1.00 0.00 H ATOM 481 3HD1 LEU A 29 0.536 15.559 -0.641 1.00 0.00 H ATOM 482 1HD2 LEU A 29 0.227 18.631 -0.806 1.00 0.00 H ATOM 483 2HD2 LEU A 29 -0.695 17.581 0.297 1.00 0.00 H ATOM 484 3HD2 LEU A 29 0.251 18.942 0.946 1.00 0.00 H ATOM 485 N GLY A 30 4.722 16.227 0.934 1.00 0.00 N ATOM 486 CA GLY A 30 5.965 16.951 0.693 1.00 0.00 C ATOM 487 C GLY A 30 7.149 16.242 1.339 1.00 0.00 C ATOM 488 O GLY A 30 8.288 16.698 1.237 1.00 0.00 O ATOM 489 H GLY A 30 4.477 15.456 0.329 1.00 0.00 H ATOM 490 1HA GLY A 30 6.131 17.042 -0.380 1.00 0.00 H ATOM 491 2HA GLY A 30 5.881 17.961 1.092 1.00 0.00 H ATOM 492 N HIS A 31 6.873 15.125 2.002 1.00 0.00 N ATOM 493 CA HIS A 31 7.913 14.358 2.678 1.00 0.00 C ATOM 494 C HIS A 31 7.869 12.891 2.272 1.00 0.00 C ATOM 495 O HIS A 31 7.436 12.035 3.044 1.00 0.00 O ATOM 496 CB HIS A 31 7.771 14.477 4.199 1.00 0.00 C ATOM 497 CG HIS A 31 7.779 15.889 4.696 1.00 0.00 C ATOM 498 ND1 HIS A 31 8.938 16.623 4.834 1.00 0.00 N ATOM 499 CD2 HIS A 31 6.770 16.702 5.088 1.00 0.00 C ATOM 500 CE1 HIS A 31 8.641 17.828 5.289 1.00 0.00 C ATOM 501 NE2 HIS A 31 7.333 17.900 5.452 1.00 0.00 N ATOM 502 H HIS A 31 5.918 14.797 2.039 1.00 0.00 H ATOM 503 HA HIS A 31 8.883 14.770 2.399 1.00 0.00 H ATOM 504 1HB HIS A 31 6.838 14.008 4.515 1.00 0.00 H ATOM 505 2HB HIS A 31 8.587 13.940 4.684 1.00 0.00 H ATOM 506 HD1 HIS A 31 9.856 16.336 4.557 1.00 0.00 H ATOM 507 HD2 HIS A 31 5.690 16.563 5.154 1.00 0.00 H ATOM 508 HE1 HIS A 31 9.425 18.563 5.465 1.00 0.00 H ATOM 509 N GLU A 32 8.319 12.606 1.054 1.00 0.00 N ATOM 510 CA GLU A 32 8.201 11.269 0.487 1.00 0.00 C ATOM 511 C GLU A 32 9.041 10.264 1.265 1.00 0.00 C ATOM 512 O GLU A 32 8.655 9.106 1.421 1.00 0.00 O ATOM 513 CB GLU A 32 8.625 11.274 -0.983 1.00 0.00 C ATOM 514 CG GLU A 32 7.711 12.076 -1.898 1.00 0.00 C ATOM 515 CD GLU A 32 8.087 11.959 -3.349 1.00 0.00 C ATOM 516 OE1 GLU A 32 9.116 11.394 -3.633 1.00 0.00 O ATOM 517 OE2 GLU A 32 7.345 12.436 -4.175 1.00 0.00 O ATOM 518 H GLU A 32 8.755 13.335 0.508 1.00 0.00 H ATOM 519 HA GLU A 32 7.155 10.963 0.537 1.00 0.00 H ATOM 520 1HB GLU A 32 9.631 11.686 -1.070 1.00 0.00 H ATOM 521 2HB GLU A 32 8.657 10.250 -1.356 1.00 0.00 H ATOM 522 1HG GLU A 32 6.687 11.724 -1.771 1.00 0.00 H ATOM 523 2HG GLU A 32 7.746 13.123 -1.602 1.00 0.00 H ATOM 524 N GLU A 33 10.192 10.714 1.754 1.00 0.00 N ATOM 525 CA GLU A 33 11.082 9.860 2.530 1.00 0.00 C ATOM 526 C GLU A 33 10.461 9.491 3.871 1.00 0.00 C ATOM 527 O GLU A 33 10.545 8.344 4.311 1.00 0.00 O ATOM 528 CB GLU A 33 12.427 10.554 2.753 1.00 0.00 C ATOM 529 CG GLU A 33 13.255 10.741 1.490 1.00 0.00 C ATOM 530 CD GLU A 33 12.839 11.945 0.691 1.00 0.00 C ATOM 531 OE1 GLU A 33 12.093 12.745 1.202 1.00 0.00 O ATOM 532 OE2 GLU A 33 13.268 12.065 -0.433 1.00 0.00 O ATOM 533 H GLU A 33 10.457 11.674 1.583 1.00 0.00 H ATOM 534 HA GLU A 33 11.262 8.945 1.965 1.00 0.00 H ATOM 535 1HB GLU A 33 12.260 11.537 3.193 1.00 0.00 H ATOM 536 2HB GLU A 33 13.022 9.976 3.460 1.00 0.00 H ATOM 537 1HG GLU A 33 14.303 10.849 1.768 1.00 0.00 H ATOM 538 2HG GLU A 33 13.161 9.850 0.871 1.00 0.00 H ATOM 539 N LEU A 34 9.836 10.469 4.517 1.00 0.00 N ATOM 540 CA LEU A 34 9.149 10.236 5.782 1.00 0.00 C ATOM 541 C LEU A 34 7.994 9.259 5.609 1.00 0.00 C ATOM 542 O LEU A 34 7.764 8.397 6.458 1.00 0.00 O ATOM 543 CB LEU A 34 8.627 11.560 6.353 1.00 0.00 C ATOM 544 CG LEU A 34 7.898 11.462 7.700 1.00 0.00 C ATOM 545 CD1 LEU A 34 8.828 10.846 8.737 1.00 0.00 C ATOM 546 CD2 LEU A 34 7.440 12.847 8.131 1.00 0.00 C ATOM 547 H LEU A 34 9.837 11.399 4.122 1.00 0.00 H ATOM 548 HA LEU A 34 9.862 9.812 6.490 1.00 0.00 H ATOM 549 1HB LEU A 34 9.468 12.239 6.480 1.00 0.00 H ATOM 550 2HB LEU A 34 7.936 12.000 5.634 1.00 0.00 H ATOM 551 HG LEU A 34 7.032 10.808 7.598 1.00 0.00 H ATOM 552 1HD1 LEU A 34 8.310 10.776 9.694 1.00 0.00 H ATOM 553 2HD1 LEU A 34 9.124 9.848 8.412 1.00 0.00 H ATOM 554 3HD1 LEU A 34 9.713 11.470 8.848 1.00 0.00 H ATOM 555 1HD2 LEU A 34 6.922 12.777 9.088 1.00 0.00 H ATOM 556 2HD2 LEU A 34 8.306 13.501 8.234 1.00 0.00 H ATOM 557 3HD2 LEU A 34 6.763 13.256 7.381 1.00 0.00 H ATOM 558 N ILE A 35 7.267 9.399 4.505 1.00 0.00 N ATOM 559 CA ILE A 35 6.146 8.514 4.209 1.00 0.00 C ATOM 560 C ILE A 35 6.605 7.068 4.084 1.00 0.00 C ATOM 561 O ILE A 35 6.004 6.163 4.664 1.00 0.00 O ATOM 562 CB ILE A 35 5.436 8.942 2.912 1.00 0.00 C ATOM 563 CG1 ILE A 35 4.695 10.265 3.120 1.00 0.00 C ATOM 564 CG2 ILE A 35 4.476 7.857 2.449 1.00 0.00 C ATOM 565 CD1 ILE A 35 4.186 10.888 1.840 1.00 0.00 C ATOM 566 H ILE A 35 7.496 10.137 3.856 1.00 0.00 H ATOM 567 HA ILE A 35 5.425 8.583 5.024 1.00 0.00 H ATOM 568 HB ILE A 35 6.177 9.115 2.132 1.00 0.00 H ATOM 569 1HG1 ILE A 35 3.846 10.106 3.784 1.00 0.00 H ATOM 570 2HG1 ILE A 35 5.359 10.981 3.606 1.00 0.00 H ATOM 571 1HG2 ILE A 35 3.982 8.176 1.531 1.00 0.00 H ATOM 572 2HG2 ILE A 35 5.029 6.937 2.262 1.00 0.00 H ATOM 573 3HG2 ILE A 35 3.727 7.680 3.221 1.00 0.00 H ATOM 574 1HD1 ILE A 35 3.673 11.822 2.069 1.00 0.00 H ATOM 575 2HD1 ILE A 35 5.026 11.089 1.174 1.00 0.00 H ATOM 576 3HD1 ILE A 35 3.492 10.203 1.354 1.00 0.00 H ATOM 577 N PHE A 36 7.673 6.854 3.323 1.00 0.00 N ATOM 578 CA PHE A 36 8.223 5.517 3.131 1.00 0.00 C ATOM 579 C PHE A 36 8.545 4.857 4.464 1.00 0.00 C ATOM 580 O PHE A 36 8.132 3.727 4.726 1.00 0.00 O ATOM 581 CB PHE A 36 9.484 5.576 2.268 1.00 0.00 C ATOM 582 CG PHE A 36 10.079 4.229 1.972 1.00 0.00 C ATOM 583 CD1 PHE A 36 9.955 3.661 0.712 1.00 0.00 C ATOM 584 CD2 PHE A 36 10.764 3.526 2.951 1.00 0.00 C ATOM 585 CE1 PHE A 36 10.502 2.422 0.439 1.00 0.00 C ATOM 586 CE2 PHE A 36 11.313 2.288 2.681 1.00 0.00 C ATOM 587 CZ PHE A 36 11.181 1.735 1.422 1.00 0.00 C ATOM 588 H PHE A 36 8.117 7.638 2.868 1.00 0.00 H ATOM 589 HA PHE A 36 7.481 4.910 2.610 1.00 0.00 H ATOM 590 1HB PHE A 36 9.254 6.062 1.321 1.00 0.00 H ATOM 591 2HB PHE A 36 10.240 6.179 2.770 1.00 0.00 H ATOM 592 HD1 PHE A 36 9.419 4.205 -0.066 1.00 0.00 H ATOM 593 HD2 PHE A 36 10.868 3.962 3.946 1.00 0.00 H ATOM 594 HE1 PHE A 36 10.396 1.988 -0.555 1.00 0.00 H ATOM 595 HE2 PHE A 36 11.849 1.746 3.459 1.00 0.00 H ATOM 596 HZ PHE A 36 11.611 0.758 1.208 1.00 0.00 H ATOM 597 N GLU A 37 9.288 5.568 5.307 1.00 0.00 N ATOM 598 CA GLU A 37 9.804 4.995 6.545 1.00 0.00 C ATOM 599 C GLU A 37 8.669 4.586 7.477 1.00 0.00 C ATOM 600 O GLU A 37 8.731 3.540 8.122 1.00 0.00 O ATOM 601 CB GLU A 37 10.723 5.994 7.251 1.00 0.00 C ATOM 602 CG GLU A 37 12.063 6.210 6.563 1.00 0.00 C ATOM 603 CD GLU A 37 12.946 7.184 7.294 1.00 0.00 C ATOM 604 OE1 GLU A 37 12.491 7.768 8.248 1.00 0.00 O ATOM 605 OE2 GLU A 37 14.076 7.344 6.897 1.00 0.00 O ATOM 606 H GLU A 37 9.500 6.530 5.084 1.00 0.00 H ATOM 607 HA GLU A 37 10.390 4.109 6.299 1.00 0.00 H ATOM 608 1HB GLU A 37 10.224 6.960 7.323 1.00 0.00 H ATOM 609 2HB GLU A 37 10.920 5.651 8.267 1.00 0.00 H ATOM 610 1HG GLU A 37 12.581 5.254 6.490 1.00 0.00 H ATOM 611 2HG GLU A 37 11.886 6.575 5.553 1.00 0.00 H ATOM 612 N ILE A 38 7.634 5.417 7.542 1.00 0.00 N ATOM 613 CA ILE A 38 6.510 5.171 8.436 1.00 0.00 C ATOM 614 C ILE A 38 5.677 3.988 7.961 1.00 0.00 C ATOM 615 O ILE A 38 5.351 3.093 8.742 1.00 0.00 O ATOM 616 CB ILE A 38 5.613 6.418 8.549 1.00 0.00 C ATOM 617 CG1 ILE A 38 6.378 7.567 9.211 1.00 0.00 C ATOM 618 CG2 ILE A 38 4.349 6.095 9.329 1.00 0.00 C ATOM 619 CD1 ILE A 38 5.673 8.901 9.121 1.00 0.00 C ATOM 620 H ILE A 38 7.628 6.241 6.958 1.00 0.00 H ATOM 621 HA ILE A 38 6.900 4.948 9.430 1.00 0.00 H ATOM 622 HB ILE A 38 5.337 6.758 7.551 1.00 0.00 H ATOM 623 1HG1 ILE A 38 6.539 7.337 10.264 1.00 0.00 H ATOM 624 2HG1 ILE A 38 7.358 7.668 8.746 1.00 0.00 H ATOM 625 1HG2 ILE A 38 3.727 6.988 9.400 1.00 0.00 H ATOM 626 2HG2 ILE A 38 3.797 5.308 8.818 1.00 0.00 H ATOM 627 3HG2 ILE A 38 4.615 5.759 10.331 1.00 0.00 H ATOM 628 1HD1 ILE A 38 6.276 9.665 9.612 1.00 0.00 H ATOM 629 2HD1 ILE A 38 5.533 9.169 8.073 1.00 0.00 H ATOM 630 3HD1 ILE A 38 4.703 8.834 9.612 1.00 0.00 H ATOM 631 N ILE A 39 5.336 3.988 6.677 1.00 0.00 N ATOM 632 CA ILE A 39 4.462 2.965 6.116 1.00 0.00 C ATOM 633 C ILE A 39 5.141 1.601 6.114 1.00 0.00 C ATOM 634 O ILE A 39 4.509 0.582 6.394 1.00 0.00 O ATOM 635 CB ILE A 39 4.039 3.330 4.681 1.00 0.00 C ATOM 636 CG1 ILE A 39 3.135 4.565 4.689 1.00 0.00 C ATOM 637 CG2 ILE A 39 3.336 2.155 4.019 1.00 0.00 C ATOM 638 CD1 ILE A 39 2.788 5.077 3.310 1.00 0.00 C ATOM 639 H ILE A 39 5.692 4.717 6.074 1.00 0.00 H ATOM 640 HA ILE A 39 3.561 2.907 6.727 1.00 0.00 H ATOM 641 HB ILE A 39 4.921 3.590 4.097 1.00 0.00 H ATOM 642 1HG1 ILE A 39 2.207 4.333 5.211 1.00 0.00 H ATOM 643 2HG1 ILE A 39 3.623 5.371 5.238 1.00 0.00 H ATOM 644 1HG2 ILE A 39 3.043 2.431 3.006 1.00 0.00 H ATOM 645 2HG2 ILE A 39 4.011 1.301 3.982 1.00 0.00 H ATOM 646 3HG2 ILE A 39 2.448 1.892 4.594 1.00 0.00 H ATOM 647 1HD1 ILE A 39 2.145 5.953 3.398 1.00 0.00 H ATOM 648 2HD1 ILE A 39 3.702 5.350 2.782 1.00 0.00 H ATOM 649 3HD1 ILE A 39 2.266 4.299 2.754 1.00 0.00 H ATOM 650 N ARG A 40 6.431 1.589 5.798 1.00 0.00 N ATOM 651 CA ARG A 40 7.183 0.344 5.698 1.00 0.00 C ATOM 652 C ARG A 40 6.943 -0.544 6.912 1.00 0.00 C ATOM 653 O ARG A 40 6.777 -1.757 6.783 1.00 0.00 O ATOM 654 CB ARG A 40 8.672 0.627 5.566 1.00 0.00 C ATOM 655 CG ARG A 40 9.547 -0.608 5.417 1.00 0.00 C ATOM 656 CD ARG A 40 9.308 -1.297 4.123 1.00 0.00 C ATOM 657 NE ARG A 40 10.078 -2.526 4.014 1.00 0.00 N ATOM 658 CZ ARG A 40 9.682 -3.722 4.492 1.00 0.00 C ATOM 659 NH1 ARG A 40 8.527 -3.834 5.109 1.00 0.00 N ATOM 660 NH2 ARG A 40 10.456 -4.782 4.341 1.00 0.00 N ATOM 661 H ARG A 40 6.903 2.464 5.622 1.00 0.00 H ATOM 662 HA ARG A 40 6.853 -0.189 4.804 1.00 0.00 H ATOM 663 1HB ARG A 40 8.846 1.261 4.698 1.00 0.00 H ATOM 664 2HB ARG A 40 9.018 1.172 6.444 1.00 0.00 H ATOM 665 1HG ARG A 40 10.597 -0.317 5.462 1.00 0.00 H ATOM 666 2HG ARG A 40 9.329 -1.308 6.224 1.00 0.00 H ATOM 667 1HD ARG A 40 8.251 -1.548 4.035 1.00 0.00 H ATOM 668 2HD ARG A 40 9.595 -0.641 3.303 1.00 0.00 H ATOM 669 HE ARG A 40 10.973 -2.480 3.545 1.00 0.00 H ATOM 670 1HH1 ARG A 40 7.935 -3.023 5.224 1.00 0.00 H ATOM 671 2HH1 ARG A 40 8.231 -4.730 5.467 1.00 0.00 H ATOM 672 1HH2 ARG A 40 11.345 -4.696 3.867 1.00 0.00 H ATOM 673 2HH2 ARG A 40 10.160 -5.678 4.700 1.00 0.00 H ATOM 674 N ARG A 41 6.927 0.068 8.091 1.00 0.00 N ATOM 675 CA ARG A 41 6.704 -0.666 9.332 1.00 0.00 C ATOM 676 C ARG A 41 5.218 -0.769 9.652 1.00 0.00 C ATOM 677 O ARG A 41 4.765 -1.756 10.231 1.00 0.00 O ATOM 678 CB ARG A 41 7.423 0.009 10.490 1.00 0.00 C ATOM 679 CG ARG A 41 7.230 -0.661 11.841 1.00 0.00 C ATOM 680 CD ARG A 41 7.853 -2.009 11.879 1.00 0.00 C ATOM 681 NE ARG A 41 7.627 -2.675 13.152 1.00 0.00 N ATOM 682 CZ ARG A 41 6.515 -3.367 13.466 1.00 0.00 C ATOM 683 NH1 ARG A 41 5.538 -3.474 12.593 1.00 0.00 N ATOM 684 NH2 ARG A 41 6.405 -3.938 14.653 1.00 0.00 N ATOM 685 H ARG A 41 7.073 1.066 8.130 1.00 0.00 H ATOM 686 HA ARG A 41 7.107 -1.673 9.215 1.00 0.00 H ATOM 687 1HB ARG A 41 8.493 0.038 10.286 1.00 0.00 H ATOM 688 2HB ARG A 41 7.079 1.040 10.581 1.00 0.00 H ATOM 689 1HG ARG A 41 7.688 -0.050 12.619 1.00 0.00 H ATOM 690 2HG ARG A 41 6.165 -0.770 12.045 1.00 0.00 H ATOM 691 1HD ARG A 41 7.428 -2.629 11.090 1.00 0.00 H ATOM 692 2HD ARG A 41 8.928 -1.918 11.728 1.00 0.00 H ATOM 693 HE ARG A 41 8.357 -2.615 13.850 1.00 0.00 H ATOM 694 1HH1 ARG A 41 5.622 -3.037 11.686 1.00 0.00 H ATOM 695 2HH1 ARG A 41 4.704 -3.992 12.829 1.00 0.00 H ATOM 696 1HH2 ARG A 41 7.156 -3.856 15.325 1.00 0.00 H ATOM 697 2HH2 ARG A 41 5.572 -4.455 14.889 1.00 0.00 H ATOM 698 N PHE A 42 4.464 0.256 9.270 1.00 0.00 N ATOM 699 CA PHE A 42 3.034 0.303 9.556 1.00 0.00 C ATOM 700 C PHE A 42 2.325 -0.934 9.021 1.00 0.00 C ATOM 701 O PHE A 42 1.578 -1.594 9.744 1.00 0.00 O ATOM 702 CB PHE A 42 2.409 1.559 8.946 1.00 0.00 C ATOM 703 CG PHE A 42 0.923 1.654 9.147 1.00 0.00 C ATOM 704 CD1 PHE A 42 0.395 1.955 10.393 1.00 0.00 C ATOM 705 CD2 PHE A 42 0.050 1.443 8.090 1.00 0.00 C ATOM 706 CE1 PHE A 42 -0.972 2.043 10.579 1.00 0.00 C ATOM 707 CE2 PHE A 42 -1.316 1.531 8.272 1.00 0.00 C ATOM 708 CZ PHE A 42 -1.827 1.831 9.519 1.00 0.00 C ATOM 709 H PHE A 42 4.892 1.023 8.770 1.00 0.00 H ATOM 710 HA PHE A 42 2.898 0.345 10.637 1.00 0.00 H ATOM 711 1HB PHE A 42 2.868 2.444 9.384 1.00 0.00 H ATOM 712 2HB PHE A 42 2.609 1.583 7.876 1.00 0.00 H ATOM 713 HD1 PHE A 42 1.071 2.123 11.232 1.00 0.00 H ATOM 714 HD2 PHE A 42 0.455 1.206 7.105 1.00 0.00 H ATOM 715 HE1 PHE A 42 -1.373 2.280 11.564 1.00 0.00 H ATOM 716 HE2 PHE A 42 -1.991 1.364 7.433 1.00 0.00 H ATOM 717 HZ PHE A 42 -2.904 1.899 9.665 1.00 0.00 H ATOM 718 N LEU A 43 2.563 -1.244 7.752 1.00 0.00 N ATOM 719 CA LEU A 43 1.840 -2.314 7.076 1.00 0.00 C ATOM 720 C LEU A 43 2.451 -3.675 7.385 1.00 0.00 C ATOM 721 O LEU A 43 3.654 -3.786 7.623 1.00 0.00 O ATOM 722 OXT LEU A 43 1.758 -4.655 7.401 1.00 0.00 O ATOM 723 CB LEU A 43 1.841 -2.080 5.560 1.00 0.00 C ATOM 724 CG LEU A 43 1.184 -0.776 5.088 1.00 0.00 C ATOM 725 CD1 LEU A 43 1.415 -0.603 3.593 1.00 0.00 C ATOM 726 CD2 LEU A 43 -0.302 -0.811 5.411 1.00 0.00 C ATOM 727 H LEU A 43 3.265 -0.727 7.241 1.00 0.00 H ATOM 728 HA LEU A 43 0.807 -2.308 7.425 1.00 0.00 H ATOM 729 1HB LEU A 43 2.872 -2.076 5.210 1.00 0.00 H ATOM 730 2HB LEU A 43 1.319 -2.907 5.079 1.00 0.00 H ATOM 731 HG LEU A 43 1.646 0.070 5.597 1.00 0.00 H ATOM 732 1HD1 LEU A 43 0.948 0.323 3.257 1.00 0.00 H ATOM 733 2HD1 LEU A 43 2.486 -0.562 3.393 1.00 0.00 H ATOM 734 3HD1 LEU A 43 0.977 -1.444 3.057 1.00 0.00 H ATOM 735 1HD2 LEU A 43 -0.770 0.115 5.076 1.00 0.00 H ATOM 736 2HD2 LEU A 43 -0.766 -1.656 4.901 1.00 0.00 H ATOM 737 3HD2 LEU A 43 -0.438 -0.918 6.487 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE start10_0183_0002.pdb label fa_atr fa_rep fa_sol fa_intra_atr_xover4 fa_intra_rep_xover4 fa_intra_sol_xover4 lk_ball lk_ball_iso lk_ball_bridge lk_ball_bridge_uncpl fa_elec fa_intra_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun_dev fa_dun_rot fa_dun_semi p_aa_pp hxl_tors ref rama_prepro gen_bonded total weights 1 0.55 1 1 0.55 1 0.92 -0.38 -0.33 -0.33 1 1 1.25 1 1 1 1 1.25 0.48 0.69 0.76 0.78 0.61 1 1 0.5 1 NA pose -224.515 35.061 127.182 -22.8986 18.1686 17.8562 69.4244 -83.5734 -0.22208 -1.57519 -44.9452 -18.1244 0 -22.0234 -5.70461 -0.72186 0 0 2.08113 4.83001 27.4877 31.5199 -13.455 16.0901 -13.4557 1.84126 0 -99.6725 GLU:NtermProteinFull_1 -3.06115 0.2746 2.73006 -0.51198 0.69033 1.83964 1.521 -1.46453 -0 -0 -0.55632 -3.0032 0 0 0 0 0 0 0.25688 0.03798 0 2.44899 0 0 -2.7348 0 0 -1.53249 ILE_2 -8.05463 1.56237 2.35177 -0.51114 0.65162 0.09877 1.79 -2.21805 -0 -0 -1.37343 0.1144 0 0 0 0 0 0 0.0852 0.08765 0.56564 0 -0.48814 0 0.73287 0.18036 0 -4.42474 GLU_3 -3.89619 0.38837 4.41529 -0.46445 0.21948 1.44598 1.51026 -2.02528 -0.02571 -0.14839 -1.10528 -2.81311 0 0 0 0 0 0 -0.05221 0.05287 0 4.01412 -0.30289 0 -2.7348 -0.03936 0 -1.56129 LYS_4 -5.02307 0.54088 5.13032 -0.77135 0.3618 0.60362 2.14697 -2.36233 -0.04764 -0.32989 -1.16779 -0.07832 0 0 0 0 0 0 -0.04156 0.01669 2.67156 0 -0.01542 0 -1.5107 -0.32087 0 -0.19712 TRP_5 -10.2956 1.60676 3.26838 -0.996 0.13561 0.29871 2.67567 -2.97677 -0 -0 -1.37101 -0.52758 0 0 0 0 0 0 0.43793 0.67008 0 1.69368 0.02021 0 1.6906 -0.23275 0 -3.90212 LEU_6 -7.02221 1.19528 3.88462 -0.5105 0.65804 0.12179 2.46284 -2.55458 -0 -0 -2.00241 0.26975 0 0 0 0 0 0 0.04696 0.03106 0.37957 0 -0.26971 0 0.18072 -0.11681 0 -3.24557 GLU_7 -4.17132 0.13958 5.06633 -0.21455 0.02533 0.28826 2.30183 -2.33031 -0.02193 -0.1815 -1.74511 -0.57761 0 0 0 0 0 0 -0.04266 0.18828 0 3.10224 -0.28534 0 -2.7348 -0.16981 0 -1.36309 LEU_8 -6.89726 0.98083 4.3189 -0.50454 0.62552 0.12066 2.49967 -2.60956 -0 -0 -2.0215 0.25749 0 0 0 0 0 0 -0.01143 0.33281 0.58435 0 -0.22897 0 0.18072 -0.03851 0 -2.41081 VAL_9 -8.98866 1.76772 3.38602 -0.36498 0.29715 0.08689 2.82143 -3.23031 -2e-05 -7e-05 -1.82262 0.1383 0 0 0 0 0 0 -0.03499 0.17838 0.90974 0 -0.10224 0 1.9342 0.10003 0 -2.92402 ARG_10 -3.76726 0.75173 3.28732 -1.56162 0.65245 1.43349 1.31161 -1.80066 -0 -0 -0.49212 -0.85663 0 0 0 0 0 0 0.03485 0.03707 3.30846 0 -0.06313 0 -1.2888 -0.04493 0 0.94182 ARG_11 -2.60117 0.14301 3.26127 -1.60389 0.6312 1.53952 1.10322 -1.53843 -0 -0 -0.64666 -1.06926 0 0 0 0 0 0 -0.04509 0.00787 3.40455 0 -0.11616 0 -1.2888 -0.02504 0 1.15615 ALA_12 -4.15775 0.40802 2.38676 -0.02151 0 0 1.81761 -1.92376 -0 -0 -0.53286 -0.35436 0 0 0 0 0 0 0.08958 0 0 0 -0.2014 0 1.8394 -0.01691 0 -0.66719 GLY_13 -2.18883 0.22601 1.9091 -6e-05 0 0 0.78266 -1.16289 -0 -0 -0.8486 -0.40349 0 0 0 0 0 0 -0.16098 0 0 0 -1.48707 0 0.83697 -0.48153 0 -2.97871 HIS_D_14 -4.92138 0.52711 3.87339 -0.81463 0.0433 1.14383 1.73711 -2.33807 -0.00842 -0.08664 -0.80812 -0.38938 0 0 0 -0.36093 0 0 0.0232 0.17044 0 1.83304 -0.32132 0 -0.45461 -0.47679 0 -1.62887 THR_15 -3.85241 0.38871 1.648 -0.16031 0.08818 0.05773 0.6493 -1.37878 -0.00856 -0.05976 -1.33314 -0.07451 0 0 0 -0.36093 0 0 -0.05291 0.11385 0.07638 0 0.04591 2.31646 -1.0874 0.00773 0 -2.97645 LEU_16 -7.3964 1.2496 2.82408 -0.48266 0.50737 0.09289 2.24457 -2.3186 -0 -0 -2.05964 0.17236 0 0 0 0 0 0 0.02049 0.01992 0.59894 0 -0.30561 0 0.18072 -0.20029 0 -4.85224 THR_17 -2.74325 0.33243 1.20934 -0.11094 0.05483 0.07968 0.57565 -0.96104 -0 -0 -0.83032 -0.48791 0 0 0 0 0 0 0.08886 0.02388 0.16301 0 -0.31154 2.28526 -1.0874 -0.4523 0 -2.17177 THR_18 -4.09566 0.49179 2.61357 -0.22079 0.18099 0.09076 2.05783 -1.60735 -0.00604 -0.02231 -1.67055 -1.33733 0 0 0 0 0 0 0.10617 5e-05 0.3912 0 0.07888 2.34172 -1.0874 -0.02492 0 -1.71939 THR_19 -2.64114 0.1454 1.00054 -0.17158 0.11354 0.0605 0.41946 -0.88238 -0 -0 -0.25503 -0.14593 0 0 0 0 0 0 -0.02606 0.0167 0.18259 0 -0.18719 2.28746 -1.0874 0.22092 0 -0.94959 LEU_20 -4.83205 1.03644 2.58917 -0.74257 4.75785 0.37184 1.70136 -1.77368 -0.00604 -0.02231 -1.68565 -0.03502 0 0 0 0 0 0 -0.05007 0.05984 1.38132 0 0.12651 0 0.18072 0.65243 0 3.71008 GLY_21 -1.47701 0.08214 1.3261 -0.0002 0 0 0.34545 -0.81693 -0 -0 0.52166 -0.33086 0 0 0 0 0 0 -0.21009 0 0 0 -1.34411 0 0.83697 1.32775 0 0.26086 THR_22 -1.46316 0.09902 1.30576 -0.12831 0.0604 0.08005 0.22856 -0.73094 -0 -0 -0.18866 -0.95918 0 0 0 0 0 0 -0.01144 0.00775 0.03004 0 -0.44655 2.28509 -1.0874 0.49581 0 -0.42317 ILE_23 -5.45125 0.78049 3.36419 -0.56823 0.66698 0.16176 2.36209 -2.12857 -0 -0 -1.85099 -0.10296 0 0 0 0 0 0 0.14169 0.06515 0.57388 0 -0.10102 0 0.73287 -0.21902 0 -1.57293 THR_24 -3.10728 0.43102 1.39732 -0.11497 0.05316 0.08402 0.49366 -1.04839 -0 -0 -0.58037 -0.57599 0 0 0 0 0 0 -0.004 0.00681 0.23381 0 -0.27548 2.28532 -1.0874 -0.22651 0 -2.03527 LEU_25 -8.40612 2.1832 1.76505 -0.62111 0.35019 0.16145 2.16033 -2.1533 -0 -0 -1.60745 0.31995 0 0 0 0 0 0 0.6682 1.24246 1.0159 0 -0.14871 0 0.18072 -0.28295 0 -3.17219 THR_26 -5.05764 0.8278 1.11027 -0.17369 0.10446 0.06257 0.72013 -1.45098 -0.00065 -0.0017 -0.48893 -0.24065 0 0 0 0 0 0 -0.05874 0.05564 0.16398 0 -0.13088 2.28878 -1.0874 -0.098 0 -3.45561 VAL_27 -8.23288 1.56274 1.01948 -0.29011 0.20402 0.06867 1.76287 -2.069 -0.0084 -0.08657 -1.7514 -0.37535 0 0 0 0 0 0 0.58072 0.13857 0.16028 0 -0.38095 0 1.9342 -0.01414 0 -5.77727 PHE_28 -6.93673 1.11682 1.66613 -0.60417 0.05918 0.31211 1.39673 -1.8185 -0.00065 -0.0017 -0.8352 0.14814 0 0 0 0 0 0 -0.06048 0.07519 0 2.34039 -0.15141 0 1.0402 -0.14045 0 -2.39442 LEU_29 -4.96531 0.75661 1.58779 -0.59888 0.4878 0.14523 0.55354 -1.65552 -0.00856 -0.05976 0.63147 0.39127 0 0 0 0 0 0 -0.02968 0.09971 0.44487 0 -0.18705 0 0.18072 -0.18918 0 -2.41492 GLY_30 -1.61467 0.08817 1.58008 -6e-05 0 0 0.20089 -0.86698 -0 -0 0.09461 -0.39196 0 0 0 0 0 0 -0.16553 0 0 0 -1.52096 0 0.83697 -0.48003 0 -2.23945 HIS_D_31 -5.44669 0.56229 4.79432 -0.41737 0.0245 0.54493 2.2072 -2.41128 -0 -0 -1.57774 -0.32006 0 0 0 0 0 0 0.06855 0.11894 0 1.55113 -0.70445 0 -0.45461 0.19441 0 -1.26593 GLU_32 -4.05465 0.28109 3.61199 -0.21765 0.02799 0.29796 1.34747 -1.84258 -1e-05 -2e-05 -1.22979 -0.58756 0 0 0 0 0 0 0.01179 0.17231 0 3.02499 -0.35038 0 -2.7348 0.34727 0 -1.89458 GLU_33 -3.33042 0.21367 4.42159 -0.44936 0.13345 1.34625 1.31569 -1.97352 -0.02512 -0.14829 -0.94893 -2.2297 0 0 0 0 0 0 0.15517 0.01177 0 3.9049 -0.20364 0 -2.7348 -0.38647 0 -0.92776 LEU_34 -6.08768 0.74077 3.76589 -0.71945 0.61369 0.2939 1.84081 -2.17822 -0.02772 -0.19129 -0.69237 0.14089 0 0 0 0 0 0 0.02773 0.0272 1.05648 0 -0.27364 0 0.18072 -0.11948 0 -1.60178 ILE_35 -9.95214 2.35078 4.45954 -0.51452 0.69145 0.09946 3.32501 -3.27369 -0.00202 -0.01258 -1.93649 0.16772 0 0 0 0 0 0 -0.02782 0.08568 0.49485 0 -0.41889 0 0.73287 0.34002 0 -3.39076 PHE_36 -6.69563 0.84385 4.13391 -0.8712 0.60407 0.3462 2.40374 -2.52726 -0 -0 -2.44711 0.00982 0 0 0 0 0 0 0.23384 0.13861 0 2.72113 -0.52481 0 1.0402 0.72406 0 0.1334 GLU_37 -4.01725 0.23409 4.5748 -0.21444 0.02517 0.29152 1.59905 -2.11269 -0.00262 -0.04303 -0.99007 -0.58641 0 0 0 0 0 0 -0.04777 0.05514 0 3.0078 -0.24039 0 -2.7348 0.20998 0 -0.99193 ILE_38 -6.37032 0.98803 4.03746 -0.50962 0.64459 0.09785 2.79654 -2.4467 -0 -0 -1.86582 0.12602 0 0 0 0 0 0 0.04602 0.0318 0.55557 0 -0.50481 0 0.73287 0.02493 0 -1.61558 ILE_39 -10.142 3.06469 3.63063 -0.52455 0.89269 0.10339 2.7727 -2.9633 -0.00997 -0.0834 -1.5239 0.02845 0 0 0 0 0 0 -0.0296 0.22279 0.95735 0 -0.2826 0 0.73287 0.23425 0 -2.91948 ARG_40 -4.13372 0.24313 3.7499 -1.56277 0.64613 1.42889 1.39423 -1.82169 -0.00202 -0.01258 -0.86724 -0.84347 0 0 0 0 0 0 -0.01256 0.16462 2.78822 0 -0.21656 0 -1.2888 0.46048 0 0.11419 ARG_41 -2.51625 0.29565 3.53506 -1.62922 0.68334 1.62886 0.97161 -1.61063 -0 -0 0.01464 -1.28722 0 0 0 0 0 0 -0.03849 0.00544 3.45577 0 -0.11976 0 -1.2888 0.40386 0 2.50385 PHE_42 -10.0442 2.53309 2.7305 -0.8962 0.04206 0.29826 1.92172 -2.59185 -0 -0 -0.46425 -0.01248 0 0 0 0 0 0 0.1715 0.00158 0 1.87745 -0.51337 0 1.0402 0.3398 0 -3.56622 LEU:CtermProteinFull_43 -4.40483 0.62518 2.46017 -0.53248 0.45868 0.22827 1.17435 -1.62358 -0.00997 -0.0834 -0.03277 0.58851 0 0 0 0 0 0 0 0.05741 0.9394 0 0 0 0.18072 0.37421 0 0.39987 #END_POSE_ENERGIES_TABLE start10_0183_0002.pdb score_per_res -2.62633 total_score -112.932
HEEH_KT_rd6_2408.pdb
ATOM 1 N SER A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA SER A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C SER A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O SER A 1 1.270 2.383 -0.208 1.00 0.00 O ATOM 5 CB SER A 1 1.980 -0.754 -1.207 1.00 0.00 C ATOM 6 OG SER A 1 1.607 -0.116 -2.398 1.00 0.00 O ATOM 7 1H SER A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 8 2H SER A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 9 3H SER A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 10 HA SER A 1 1.804 -0.509 0.900 1.00 0.00 H ATOM 11 1HB SER A 1 3.066 -0.822 -1.152 1.00 0.00 H ATOM 12 2HB SER A 1 1.588 -1.771 -1.198 1.00 0.00 H ATOM 13 HG SER A 1 1.919 -0.681 -3.109 1.00 0.00 H ATOM 14 N GLU A 2 3.311 1.544 0.235 1.00 0.00 N ATOM 15 CA GLU A 2 3.951 2.851 0.330 1.00 0.00 C ATOM 16 C GLU A 2 3.892 3.592 -1.000 1.00 0.00 C ATOM 17 O GLU A 2 3.728 4.812 -1.035 1.00 0.00 O ATOM 18 CB GLU A 2 5.407 2.701 0.776 1.00 0.00 C ATOM 19 CG GLU A 2 5.580 2.150 2.184 1.00 0.00 C ATOM 20 CD GLU A 2 5.428 0.656 2.251 1.00 0.00 C ATOM 21 OE1 GLU A 2 5.222 0.053 1.225 1.00 0.00 O ATOM 22 OE2 GLU A 2 5.518 0.117 3.329 1.00 0.00 O ATOM 23 H GLU A 2 3.871 0.712 0.349 1.00 0.00 H ATOM 24 HA GLU A 2 3.425 3.440 1.082 1.00 0.00 H ATOM 25 1HB GLU A 2 5.931 2.035 0.090 1.00 0.00 H ATOM 26 2HB GLU A 2 5.903 3.671 0.733 1.00 0.00 H ATOM 27 1HG GLU A 2 6.570 2.420 2.550 1.00 0.00 H ATOM 28 2HG GLU A 2 4.842 2.615 2.837 1.00 0.00 H ATOM 29 N GLU A 3 4.025 2.848 -2.092 1.00 0.00 N ATOM 30 CA GLU A 3 4.025 3.438 -3.425 1.00 0.00 C ATOM 31 C GLU A 3 2.759 4.251 -3.669 1.00 0.00 C ATOM 32 O GLU A 3 2.814 5.365 -4.188 1.00 0.00 O ATOM 33 CB GLU A 3 4.156 2.348 -4.491 1.00 0.00 C ATOM 34 CG GLU A 3 4.333 2.873 -5.909 1.00 0.00 C ATOM 35 CD GLU A 3 4.619 1.784 -6.904 1.00 0.00 C ATOM 36 OE1 GLU A 3 4.553 0.636 -6.536 1.00 0.00 O ATOM 37 OE2 GLU A 3 4.905 2.100 -8.035 1.00 0.00 O ATOM 38 H GLU A 3 4.129 1.849 -1.997 1.00 0.00 H ATOM 39 HA GLU A 3 4.887 4.101 -3.511 1.00 0.00 H ATOM 40 1HB GLU A 3 5.012 1.714 -4.260 1.00 0.00 H ATOM 41 2HB GLU A 3 3.267 1.717 -4.477 1.00 0.00 H ATOM 42 1HG GLU A 3 3.423 3.393 -6.209 1.00 0.00 H ATOM 43 2HG GLU A 3 5.150 3.593 -5.919 1.00 0.00 H ATOM 44 N TRP A 4 1.618 3.685 -3.288 1.00 0.00 N ATOM 45 CA TRP A 4 0.340 4.375 -3.423 1.00 0.00 C ATOM 46 C TRP A 4 0.329 5.675 -2.629 1.00 0.00 C ATOM 47 O TRP A 4 -0.132 6.708 -3.116 1.00 0.00 O ATOM 48 CB TRP A 4 -0.804 3.475 -2.950 1.00 0.00 C ATOM 49 CG TRP A 4 -2.161 4.078 -3.149 1.00 0.00 C ATOM 50 CD1 TRP A 4 -2.988 3.890 -4.216 1.00 0.00 C ATOM 51 CD2 TRP A 4 -2.861 4.974 -2.253 1.00 0.00 C ATOM 52 NE1 TRP A 4 -4.148 4.605 -4.048 1.00 0.00 N ATOM 53 CE2 TRP A 4 -4.088 5.273 -2.851 1.00 0.00 C ATOM 54 CE3 TRP A 4 -2.549 5.537 -1.009 1.00 0.00 C ATOM 55 CZ2 TRP A 4 -5.011 6.115 -2.251 1.00 0.00 C ATOM 56 CZ3 TRP A 4 -3.475 6.381 -0.407 1.00 0.00 C ATOM 57 CH2 TRP A 4 -4.674 6.662 -1.012 1.00 0.00 C ATOM 58 H TRP A 4 1.636 2.755 -2.897 1.00 0.00 H ATOM 59 HA TRP A 4 0.181 4.608 -4.476 1.00 0.00 H ATOM 60 1HB TRP A 4 -0.767 2.527 -3.488 1.00 0.00 H ATOM 61 2HB TRP A 4 -0.679 3.254 -1.890 1.00 0.00 H ATOM 62 HD1 TRP A 4 -2.761 3.264 -5.077 1.00 0.00 H ATOM 63 HE1 TRP A 4 -4.920 4.636 -4.698 1.00 0.00 H ATOM 64 HE3 TRP A 4 -1.600 5.316 -0.523 1.00 0.00 H ATOM 65 HZ2 TRP A 4 -5.968 6.351 -2.715 1.00 0.00 H ATOM 66 HZ3 TRP A 4 -3.224 6.816 0.561 1.00 0.00 H ATOM 67 HH2 TRP A 4 -5.378 7.327 -0.511 1.00 0.00 H ATOM 68 N VAL A 5 0.839 5.618 -1.404 1.00 0.00 N ATOM 69 CA VAL A 5 0.863 6.784 -0.527 1.00 0.00 C ATOM 70 C VAL A 5 1.679 7.915 -1.138 1.00 0.00 C ATOM 71 O VAL A 5 1.225 9.056 -1.204 1.00 0.00 O ATOM 72 CB VAL A 5 1.455 6.409 0.844 1.00 0.00 C ATOM 73 CG1 VAL A 5 1.749 7.662 1.657 1.00 0.00 C ATOM 74 CG2 VAL A 5 0.495 5.495 1.591 1.00 0.00 C ATOM 75 H VAL A 5 1.221 4.744 -1.069 1.00 0.00 H ATOM 76 HA VAL A 5 -0.162 7.129 -0.386 1.00 0.00 H ATOM 77 HB VAL A 5 2.404 5.895 0.692 1.00 0.00 H ATOM 78 1HG1 VAL A 5 2.168 7.378 2.623 1.00 0.00 H ATOM 79 2HG1 VAL A 5 2.465 8.284 1.120 1.00 0.00 H ATOM 80 3HG1 VAL A 5 0.826 8.220 1.812 1.00 0.00 H ATOM 81 1HG2 VAL A 5 0.921 5.234 2.559 1.00 0.00 H ATOM 82 2HG2 VAL A 5 -0.455 6.008 1.738 1.00 0.00 H ATOM 83 3HG2 VAL A 5 0.332 4.587 1.010 1.00 0.00 H ATOM 84 N GLU A 6 2.889 7.590 -1.584 1.00 0.00 N ATOM 85 CA GLU A 6 3.812 8.596 -2.095 1.00 0.00 C ATOM 86 C GLU A 6 3.244 9.290 -3.326 1.00 0.00 C ATOM 87 O GLU A 6 3.341 10.510 -3.463 1.00 0.00 O ATOM 88 CB GLU A 6 5.161 7.958 -2.433 1.00 0.00 C ATOM 89 CG GLU A 6 5.988 7.554 -1.220 1.00 0.00 C ATOM 90 CD GLU A 6 7.318 6.959 -1.590 1.00 0.00 C ATOM 91 OE1 GLU A 6 7.532 6.707 -2.751 1.00 0.00 O ATOM 92 OE2 GLU A 6 8.121 6.757 -0.710 1.00 0.00 O ATOM 93 H GLU A 6 3.175 6.621 -1.568 1.00 0.00 H ATOM 94 HA GLU A 6 3.976 9.342 -1.317 1.00 0.00 H ATOM 95 1HB GLU A 6 5.001 7.067 -3.040 1.00 0.00 H ATOM 96 2HB GLU A 6 5.755 8.655 -3.025 1.00 0.00 H ATOM 97 1HG GLU A 6 6.156 8.434 -0.599 1.00 0.00 H ATOM 98 2HG GLU A 6 5.423 6.832 -0.633 1.00 0.00 H ATOM 99 N ILE A 7 2.652 8.506 -4.221 1.00 0.00 N ATOM 100 CA ILE A 7 2.078 9.043 -5.449 1.00 0.00 C ATOM 101 C ILE A 7 0.813 9.841 -5.163 1.00 0.00 C ATOM 102 O ILE A 7 0.655 10.965 -5.641 1.00 0.00 O ATOM 103 CB ILE A 7 1.758 7.913 -6.446 1.00 0.00 C ATOM 104 CG1 ILE A 7 3.042 7.194 -6.868 1.00 0.00 C ATOM 105 CG2 ILE A 7 1.030 8.467 -7.661 1.00 0.00 C ATOM 106 CD1 ILE A 7 2.801 5.889 -7.591 1.00 0.00 C ATOM 107 H ILE A 7 2.597 7.513 -4.045 1.00 0.00 H ATOM 108 HA ILE A 7 2.812 9.703 -5.914 1.00 0.00 H ATOM 109 HB ILE A 7 1.125 7.170 -5.962 1.00 0.00 H ATOM 110 1HG1 ILE A 7 3.625 7.844 -7.520 1.00 0.00 H ATOM 111 2HG1 ILE A 7 3.650 6.987 -5.987 1.00 0.00 H ATOM 112 1HG2 ILE A 7 0.812 7.655 -8.355 1.00 0.00 H ATOM 113 2HG2 ILE A 7 0.098 8.933 -7.345 1.00 0.00 H ATOM 114 3HG2 ILE A 7 1.658 9.208 -8.155 1.00 0.00 H ATOM 115 1HD1 ILE A 7 3.758 5.439 -7.858 1.00 0.00 H ATOM 116 2HD1 ILE A 7 2.249 5.209 -6.942 1.00 0.00 H ATOM 117 3HD1 ILE A 7 2.225 6.076 -8.496 1.00 0.00 H ATOM 118 N ALA A 8 -0.087 9.255 -4.381 1.00 0.00 N ATOM 119 CA ALA A 8 -1.383 9.866 -4.112 1.00 0.00 C ATOM 120 C ALA A 8 -1.225 11.201 -3.394 1.00 0.00 C ATOM 121 O ALA A 8 -1.942 12.159 -3.680 1.00 0.00 O ATOM 122 CB ALA A 8 -2.253 8.924 -3.293 1.00 0.00 C ATOM 123 H ALA A 8 0.133 8.364 -3.961 1.00 0.00 H ATOM 124 HA ALA A 8 -1.887 10.039 -5.064 1.00 0.00 H ATOM 125 1HB ALA A 8 -3.218 9.394 -3.101 1.00 0.00 H ATOM 126 2HB ALA A 8 -2.405 7.996 -3.845 1.00 0.00 H ATOM 127 3HB ALA A 8 -1.761 8.706 -2.346 1.00 0.00 H ATOM 128 N LEU A 9 -0.281 11.255 -2.460 1.00 0.00 N ATOM 129 CA LEU A 9 -0.073 12.451 -1.651 1.00 0.00 C ATOM 130 C LEU A 9 0.431 13.610 -2.501 1.00 0.00 C ATOM 131 O LEU A 9 -0.075 14.728 -2.406 1.00 0.00 O ATOM 132 CB LEU A 9 0.927 12.161 -0.525 1.00 0.00 C ATOM 133 CG LEU A 9 1.115 13.284 0.503 1.00 0.00 C ATOM 134 CD1 LEU A 9 2.053 14.340 -0.063 1.00 0.00 C ATOM 135 CD2 LEU A 9 -0.239 13.885 0.851 1.00 0.00 C ATOM 136 H LEU A 9 0.306 10.449 -2.306 1.00 0.00 H ATOM 137 HA LEU A 9 -1.026 12.735 -1.203 1.00 0.00 H ATOM 138 1HB LEU A 9 0.598 11.272 0.011 1.00 0.00 H ATOM 139 2HB LEU A 9 1.900 11.953 -0.969 1.00 0.00 H ATOM 140 HG LEU A 9 1.575 12.878 1.405 1.00 0.00 H ATOM 141 1HD1 LEU A 9 2.187 15.138 0.667 1.00 0.00 H ATOM 142 2HD1 LEU A 9 3.020 13.887 -0.285 1.00 0.00 H ATOM 143 3HD1 LEU A 9 1.627 14.753 -0.977 1.00 0.00 H ATOM 144 1HD2 LEU A 9 -0.106 14.683 1.583 1.00 0.00 H ATOM 145 2HD2 LEU A 9 -0.699 14.292 -0.049 1.00 0.00 H ATOM 146 3HD2 LEU A 9 -0.883 13.112 1.271 1.00 0.00 H ATOM 147 N ARG A 10 1.433 13.337 -3.331 1.00 0.00 N ATOM 148 CA ARG A 10 2.022 14.361 -4.184 1.00 0.00 C ATOM 149 C ARG A 10 0.988 14.942 -5.141 1.00 0.00 C ATOM 150 O ARG A 10 0.931 16.155 -5.346 1.00 0.00 O ATOM 151 CB ARG A 10 3.183 13.790 -4.984 1.00 0.00 C ATOM 152 CG ARG A 10 3.871 14.780 -5.910 1.00 0.00 C ATOM 153 CD ARG A 10 4.454 15.921 -5.158 1.00 0.00 C ATOM 154 NE ARG A 10 5.225 16.802 -6.021 1.00 0.00 N ATOM 155 CZ ARG A 10 5.643 18.035 -5.678 1.00 0.00 C ATOM 156 NH1 ARG A 10 5.358 18.519 -4.489 1.00 0.00 N ATOM 157 NH2 ARG A 10 6.341 18.759 -6.536 1.00 0.00 N ATOM 158 H ARG A 10 1.794 12.395 -3.371 1.00 0.00 H ATOM 159 HA ARG A 10 2.401 15.163 -3.550 1.00 0.00 H ATOM 160 1HB ARG A 10 3.937 13.399 -4.301 1.00 0.00 H ATOM 161 2HB ARG A 10 2.831 12.958 -5.593 1.00 0.00 H ATOM 162 1HG ARG A 10 4.676 14.277 -6.447 1.00 0.00 H ATOM 163 2HG ARG A 10 3.148 15.173 -6.624 1.00 0.00 H ATOM 164 1HD ARG A 10 3.653 16.504 -4.704 1.00 0.00 H ATOM 165 2HD ARG A 10 5.115 15.544 -4.379 1.00 0.00 H ATOM 166 HE ARG A 10 5.463 16.464 -6.944 1.00 0.00 H ATOM 167 1HH1 ARG A 10 4.826 17.965 -3.833 1.00 0.00 H ATOM 168 2HH1 ARG A 10 5.672 19.443 -4.231 1.00 0.00 H ATOM 169 1HH2 ARG A 10 6.560 18.388 -7.450 1.00 0.00 H ATOM 170 2HH2 ARG A 10 6.654 19.683 -6.278 1.00 0.00 H ATOM 171 N LEU A 11 0.174 14.070 -5.724 1.00 0.00 N ATOM 172 CA LEU A 11 -0.842 14.492 -6.682 1.00 0.00 C ATOM 173 C LEU A 11 -1.999 15.194 -5.983 1.00 0.00 C ATOM 174 O LEU A 11 -2.632 16.084 -6.553 1.00 0.00 O ATOM 175 CB LEU A 11 -1.367 13.282 -7.465 1.00 0.00 C ATOM 176 CG LEU A 11 -0.347 12.582 -8.372 1.00 0.00 C ATOM 177 CD1 LEU A 11 -0.941 11.282 -8.896 1.00 0.00 C ATOM 178 CD2 LEU A 11 0.034 13.509 -9.516 1.00 0.00 C ATOM 179 H LEU A 11 0.260 13.088 -5.498 1.00 0.00 H ATOM 180 HA LEU A 11 -0.385 15.186 -7.387 1.00 0.00 H ATOM 181 1HB LEU A 11 -1.740 12.545 -6.755 1.00 0.00 H ATOM 182 2HB LEU A 11 -2.199 13.607 -8.090 1.00 0.00 H ATOM 183 HG LEU A 11 0.543 12.333 -7.794 1.00 0.00 H ATOM 184 1HD1 LEU A 11 -0.216 10.784 -9.540 1.00 0.00 H ATOM 185 2HD1 LEU A 11 -1.186 10.630 -8.057 1.00 0.00 H ATOM 186 3HD1 LEU A 11 -1.844 11.498 -9.465 1.00 0.00 H ATOM 187 1HD2 LEU A 11 0.760 13.012 -10.161 1.00 0.00 H ATOM 188 2HD2 LEU A 11 -0.855 13.758 -10.096 1.00 0.00 H ATOM 189 3HD2 LEU A 11 0.472 14.423 -9.114 1.00 0.00 H ATOM 190 N LEU A 12 -2.271 14.789 -4.748 1.00 0.00 N ATOM 191 CA LEU A 12 -3.298 15.434 -3.939 1.00 0.00 C ATOM 192 C LEU A 12 -2.977 16.907 -3.714 1.00 0.00 C ATOM 193 O LEU A 12 -3.827 17.774 -3.917 1.00 0.00 O ATOM 194 CB LEU A 12 -3.434 14.722 -2.588 1.00 0.00 C ATOM 195 CG LEU A 12 -4.398 15.371 -1.587 1.00 0.00 C ATOM 196 CD1 LEU A 12 -5.819 15.303 -2.131 1.00 0.00 C ATOM 197 CD2 LEU A 12 -4.292 14.662 -0.245 1.00 0.00 C ATOM 198 H LEU A 12 -1.754 14.014 -4.359 1.00 0.00 H ATOM 199 HA LEU A 12 -4.251 15.361 -4.466 1.00 0.00 H ATOM 200 1HB LEU A 12 -3.778 13.704 -2.765 1.00 0.00 H ATOM 201 2HB LEU A 12 -2.452 14.675 -2.119 1.00 0.00 H ATOM 202 HG LEU A 12 -4.139 16.423 -1.463 1.00 0.00 H ATOM 203 1HD1 LEU A 12 -6.504 15.765 -1.420 1.00 0.00 H ATOM 204 2HD1 LEU A 12 -5.870 15.835 -3.081 1.00 0.00 H ATOM 205 3HD1 LEU A 12 -6.100 14.261 -2.282 1.00 0.00 H ATOM 206 1HD2 LEU A 12 -4.976 15.124 0.466 1.00 0.00 H ATOM 207 2HD2 LEU A 12 -4.552 13.610 -0.368 1.00 0.00 H ATOM 208 3HD2 LEU A 12 -3.271 14.742 0.128 1.00 0.00 H ATOM 209 N GLU A 13 -1.748 17.182 -3.293 1.00 0.00 N ATOM 210 CA GLU A 13 -1.322 18.547 -3.012 1.00 0.00 C ATOM 211 C GLU A 13 -1.241 19.373 -4.289 1.00 0.00 C ATOM 212 O GLU A 13 -1.574 20.559 -4.295 1.00 0.00 O ATOM 213 CB GLU A 13 0.036 18.548 -2.306 1.00 0.00 C ATOM 214 CG GLU A 13 0.006 17.999 -0.887 1.00 0.00 C ATOM 215 CD GLU A 13 1.321 18.150 -0.174 1.00 0.00 C ATOM 216 OE1 GLU A 13 2.265 18.579 -0.793 1.00 0.00 O ATOM 217 OE2 GLU A 13 1.382 17.836 0.992 1.00 0.00 O ATOM 218 H GLU A 13 -1.091 16.425 -3.166 1.00 0.00 H ATOM 219 HA GLU A 13 -2.051 19.006 -2.344 1.00 0.00 H ATOM 220 1HB GLU A 13 0.745 17.952 -2.881 1.00 0.00 H ATOM 221 2HB GLU A 13 0.423 19.566 -2.263 1.00 0.00 H ATOM 222 1HG GLU A 13 -0.763 18.524 -0.321 1.00 0.00 H ATOM 223 2HG GLU A 13 -0.263 16.944 -0.922 1.00 0.00 H ATOM 224 N LEU A 14 -0.797 18.741 -5.370 1.00 0.00 N ATOM 225 CA LEU A 14 -0.673 19.417 -6.656 1.00 0.00 C ATOM 226 C LEU A 14 -2.038 19.657 -7.287 1.00 0.00 C ATOM 227 O LEU A 14 -2.262 20.679 -7.936 1.00 0.00 O ATOM 228 CB LEU A 14 0.199 18.588 -7.608 1.00 0.00 C ATOM 229 CG LEU A 14 1.685 18.495 -7.239 1.00 0.00 C ATOM 230 CD1 LEU A 14 2.365 17.460 -8.125 1.00 0.00 C ATOM 231 CD2 LEU A 14 2.334 19.862 -7.397 1.00 0.00 C ATOM 232 H LEU A 14 -0.539 17.768 -5.299 1.00 0.00 H ATOM 233 HA LEU A 14 -0.187 20.380 -6.496 1.00 0.00 H ATOM 234 1HB LEU A 14 -0.197 17.574 -7.647 1.00 0.00 H ATOM 235 2HB LEU A 14 0.132 19.021 -8.606 1.00 0.00 H ATOM 236 HG LEU A 14 1.783 18.164 -6.205 1.00 0.00 H ATOM 237 1HD1 LEU A 14 3.421 17.394 -7.863 1.00 0.00 H ATOM 238 2HD1 LEU A 14 1.894 16.489 -7.978 1.00 0.00 H ATOM 239 3HD1 LEU A 14 2.269 17.756 -9.169 1.00 0.00 H ATOM 240 1HD2 LEU A 14 3.390 19.796 -7.134 1.00 0.00 H ATOM 241 2HD2 LEU A 14 2.237 20.193 -8.431 1.00 0.00 H ATOM 242 3HD2 LEU A 14 1.840 20.577 -6.739 1.00 0.00 H ATOM 243 N GLY A 15 -2.948 18.710 -7.092 1.00 0.00 N ATOM 244 CA GLY A 15 -4.277 18.789 -7.690 1.00 0.00 C ATOM 245 C GLY A 15 -4.271 18.264 -9.118 1.00 0.00 C ATOM 246 O GLY A 15 -4.983 18.777 -9.982 1.00 0.00 O ATOM 247 H GLY A 15 -2.715 17.913 -6.516 1.00 0.00 H ATOM 248 1HA GLY A 15 -4.981 18.212 -7.088 1.00 0.00 H ATOM 249 2HA GLY A 15 -4.619 19.824 -7.679 1.00 0.00 H ATOM 250 N ARG A 16 -3.463 17.237 -9.363 1.00 0.00 N ATOM 251 CA ARG A 16 -3.316 16.681 -10.702 1.00 0.00 C ATOM 252 C ARG A 16 -4.034 15.343 -10.826 1.00 0.00 C ATOM 253 O ARG A 16 -4.348 14.702 -9.822 1.00 0.00 O ATOM 254 CB ARG A 16 -1.846 16.497 -11.047 1.00 0.00 C ATOM 255 CG ARG A 16 -1.058 17.789 -11.199 1.00 0.00 C ATOM 256 CD ARG A 16 0.376 17.528 -11.481 1.00 0.00 C ATOM 257 NE ARG A 16 1.152 18.757 -11.528 1.00 0.00 N ATOM 258 CZ ARG A 16 2.470 18.820 -11.799 1.00 0.00 C ATOM 259 NH1 ARG A 16 3.144 17.718 -12.045 1.00 0.00 N ATOM 260 NH2 ARG A 16 3.086 19.989 -11.818 1.00 0.00 N ATOM 261 H ARG A 16 -2.939 16.832 -8.601 1.00 0.00 H ATOM 262 HA ARG A 16 -3.753 17.379 -11.418 1.00 0.00 H ATOM 263 1HB ARG A 16 -1.361 15.906 -10.272 1.00 0.00 H ATOM 264 2HB ARG A 16 -1.757 15.945 -11.983 1.00 0.00 H ATOM 265 1HG ARG A 16 -1.470 18.371 -12.024 1.00 0.00 H ATOM 266 2HG ARG A 16 -1.127 18.368 -10.277 1.00 0.00 H ATOM 267 1HD ARG A 16 0.791 16.893 -10.699 1.00 0.00 H ATOM 268 2HD ARG A 16 0.473 17.027 -12.444 1.00 0.00 H ATOM 269 HE ARG A 16 0.668 19.626 -11.344 1.00 0.00 H ATOM 270 1HH1 ARG A 16 2.673 16.824 -12.031 1.00 0.00 H ATOM 271 2HH1 ARG A 16 4.132 17.765 -12.249 1.00 0.00 H ATOM 272 1HH2 ARG A 16 2.568 20.836 -11.629 1.00 0.00 H ATOM 273 2HH2 ARG A 16 4.074 20.036 -12.022 1.00 0.00 H ATOM 274 N GLU A 17 -4.291 14.926 -12.061 1.00 0.00 N ATOM 275 CA GLU A 17 -4.945 13.648 -12.317 1.00 0.00 C ATOM 276 C GLU A 17 -4.179 12.499 -11.678 1.00 0.00 C ATOM 277 O GLU A 17 -2.957 12.410 -11.801 1.00 0.00 O ATOM 278 CB GLU A 17 -5.079 13.410 -13.823 1.00 0.00 C ATOM 279 CG GLU A 17 -5.802 12.123 -14.194 1.00 0.00 C ATOM 280 CD GLU A 17 -5.972 11.955 -15.678 1.00 0.00 C ATOM 281 OE1 GLU A 17 -5.557 12.824 -16.407 1.00 0.00 O ATOM 282 OE2 GLU A 17 -6.517 10.955 -16.084 1.00 0.00 O ATOM 283 H GLU A 17 -4.026 15.509 -12.842 1.00 0.00 H ATOM 284 HA GLU A 17 -5.948 13.681 -11.889 1.00 0.00 H ATOM 285 1HB GLU A 17 -5.620 14.241 -14.276 1.00 0.00 H ATOM 286 2HB GLU A 17 -4.088 13.379 -14.276 1.00 0.00 H ATOM 287 1HG GLU A 17 -5.237 11.276 -13.806 1.00 0.00 H ATOM 288 2HG GLU A 17 -6.782 12.120 -13.718 1.00 0.00 H ATOM 289 N ALA A 18 -4.902 11.618 -10.995 1.00 0.00 N ATOM 290 CA ALA A 18 -4.285 10.508 -10.280 1.00 0.00 C ATOM 291 C ALA A 18 -4.930 9.181 -10.662 1.00 0.00 C ATOM 292 O ALA A 18 -6.154 9.050 -10.656 1.00 0.00 O ATOM 293 CB ALA A 18 -4.378 10.729 -8.778 1.00 0.00 C ATOM 294 H ALA A 18 -5.907 11.722 -10.970 1.00 0.00 H ATOM 295 HA ALA A 18 -3.228 10.471 -10.546 1.00 0.00 H ATOM 296 1HB ALA A 18 -3.913 9.892 -8.257 1.00 0.00 H ATOM 297 2HB ALA A 18 -3.863 11.652 -8.513 1.00 0.00 H ATOM 298 3HB ALA A 18 -5.424 10.801 -8.485 1.00 0.00 H ATOM 299 N ASN A 19 -4.099 8.199 -10.994 1.00 0.00 N ATOM 300 CA ASN A 19 -4.584 6.867 -11.335 1.00 0.00 C ATOM 301 C ASN A 19 -3.556 5.799 -10.987 1.00 0.00 C ATOM 302 O ASN A 19 -2.622 5.550 -11.749 1.00 0.00 O ATOM 303 CB ASN A 19 -4.952 6.793 -12.806 1.00 0.00 C ATOM 304 CG ASN A 19 -5.543 5.465 -13.188 1.00 0.00 C ATOM 305 OD1 ASN A 19 -5.363 4.465 -12.482 1.00 0.00 O ATOM 306 ND2 ASN A 19 -6.245 5.434 -14.292 1.00 0.00 N ATOM 307 H ASN A 19 -3.105 8.379 -11.009 1.00 0.00 H ATOM 308 HA ASN A 19 -5.495 6.674 -10.767 1.00 0.00 H ATOM 309 1HB ASN A 19 -5.671 7.579 -13.041 1.00 0.00 H ATOM 310 2HB ASN A 19 -4.063 6.970 -13.412 1.00 0.00 H ATOM 311 1HD2 ASN A 19 -6.662 4.576 -14.595 1.00 0.00 H ATOM 312 2HD2 ASN A 19 -6.364 6.266 -14.831 1.00 0.00 H ATOM 313 N ILE A 20 -3.733 5.170 -9.830 1.00 0.00 N ATOM 314 CA ILE A 20 -2.690 4.337 -9.243 1.00 0.00 C ATOM 315 C ILE A 20 -3.100 2.871 -9.225 1.00 0.00 C ATOM 316 O ILE A 20 -4.020 2.482 -8.504 1.00 0.00 O ATOM 317 CB ILE A 20 -2.362 4.795 -7.810 1.00 0.00 C ATOM 318 CG1 ILE A 20 -2.014 6.286 -7.793 1.00 0.00 C ATOM 319 CG2 ILE A 20 -1.218 3.972 -7.237 1.00 0.00 C ATOM 320 CD1 ILE A 20 -1.930 6.878 -6.405 1.00 0.00 C ATOM 321 H ILE A 20 -4.613 5.271 -9.344 1.00 0.00 H ATOM 322 HA ILE A 20 -1.786 4.440 -9.845 1.00 0.00 H ATOM 323 HB ILE A 20 -3.240 4.669 -7.178 1.00 0.00 H ATOM 324 1HG1 ILE A 20 -1.056 6.441 -8.289 1.00 0.00 H ATOM 325 2HG1 ILE A 20 -2.765 6.841 -8.355 1.00 0.00 H ATOM 326 1HG2 ILE A 20 -0.999 4.310 -6.224 1.00 0.00 H ATOM 327 2HG2 ILE A 20 -1.503 2.921 -7.215 1.00 0.00 H ATOM 328 3HG2 ILE A 20 -0.333 4.096 -7.861 1.00 0.00 H ATOM 329 1HD1 ILE A 20 -1.680 7.937 -6.475 1.00 0.00 H ATOM 330 2HD1 ILE A 20 -2.891 6.764 -5.902 1.00 0.00 H ATOM 331 3HD1 ILE A 20 -1.159 6.361 -5.835 1.00 0.00 H ATOM 332 N ASN A 21 -2.414 2.059 -10.023 1.00 0.00 N ATOM 333 CA ASN A 21 -2.693 0.630 -10.085 1.00 0.00 C ATOM 334 C ASN A 21 -4.154 0.367 -10.431 1.00 0.00 C ATOM 335 O ASN A 21 -4.775 -0.549 -9.893 1.00 0.00 O ATOM 336 CB ASN A 21 -2.325 -0.044 -8.776 1.00 0.00 C ATOM 337 CG ASN A 21 -0.869 0.116 -8.434 1.00 0.00 C ATOM 338 OD1 ASN A 21 -0.006 0.108 -9.319 1.00 0.00 O ATOM 339 ND2 ASN A 21 -0.580 0.260 -7.166 1.00 0.00 N ATOM 340 H ASN A 21 -1.681 2.442 -10.602 1.00 0.00 H ATOM 341 HA ASN A 21 -2.089 0.194 -10.883 1.00 0.00 H ATOM 342 1HB ASN A 21 -2.924 0.378 -7.968 1.00 0.00 H ATOM 343 2HB ASN A 21 -2.557 -1.107 -8.835 1.00 0.00 H ATOM 344 1HD2 ASN A 21 0.373 0.370 -6.880 1.00 0.00 H ATOM 345 2HD2 ASN A 21 -1.310 0.261 -6.484 1.00 0.00 H ATOM 346 N GLY A 22 -4.698 1.179 -11.331 1.00 0.00 N ATOM 347 CA GLY A 22 -6.046 0.963 -11.842 1.00 0.00 C ATOM 348 C GLY A 22 -7.084 1.656 -10.969 1.00 0.00 C ATOM 349 O GLY A 22 -8.269 1.683 -11.300 1.00 0.00 O ATOM 350 H GLY A 22 -4.163 1.966 -11.671 1.00 0.00 H ATOM 351 1HA GLY A 22 -6.114 1.340 -12.863 1.00 0.00 H ATOM 352 2HA GLY A 22 -6.253 -0.106 -11.881 1.00 0.00 H ATOM 353 N THR A 23 -6.631 2.215 -9.853 1.00 0.00 N ATOM 354 CA THR A 23 -7.521 2.908 -8.928 1.00 0.00 C ATOM 355 C THR A 23 -7.630 4.388 -9.273 1.00 0.00 C ATOM 356 O THR A 23 -6.621 5.071 -9.450 1.00 0.00 O ATOM 357 CB THR A 23 -7.039 2.750 -7.474 1.00 0.00 C ATOM 358 OG1 THR A 23 -7.096 1.369 -7.096 1.00 0.00 O ATOM 359 CG2 THR A 23 -7.911 3.566 -6.532 1.00 0.00 C ATOM 360 H THR A 23 -5.645 2.161 -9.639 1.00 0.00 H ATOM 361 HA THR A 23 -8.512 2.458 -8.998 1.00 0.00 H ATOM 362 HB THR A 23 -6.008 3.093 -7.393 1.00 0.00 H ATOM 363 HG1 THR A 23 -6.408 0.883 -7.556 1.00 0.00 H ATOM 364 1HG2 THR A 23 -7.556 3.443 -5.509 1.00 0.00 H ATOM 365 2HG2 THR A 23 -7.861 4.619 -6.809 1.00 0.00 H ATOM 366 3HG2 THR A 23 -8.942 3.222 -6.601 1.00 0.00 H ATOM 367 N ILE A 24 -8.862 4.878 -9.367 1.00 0.00 N ATOM 368 CA ILE A 24 -9.105 6.290 -9.641 1.00 0.00 C ATOM 369 C ILE A 24 -9.237 7.087 -8.349 1.00 0.00 C ATOM 370 O ILE A 24 -10.056 6.764 -7.490 1.00 0.00 O ATOM 371 CB ILE A 24 -10.377 6.474 -10.489 1.00 0.00 C ATOM 372 CG1 ILE A 24 -10.270 5.675 -11.791 1.00 0.00 C ATOM 373 CG2 ILE A 24 -10.613 7.947 -10.782 1.00 0.00 C ATOM 374 CD1 ILE A 24 -9.055 6.020 -12.621 1.00 0.00 C ATOM 375 H ILE A 24 -9.649 4.258 -9.246 1.00 0.00 H ATOM 376 HA ILE A 24 -8.262 6.682 -10.210 1.00 0.00 H ATOM 377 HB ILE A 24 -11.236 6.079 -9.947 1.00 0.00 H ATOM 378 1HG1 ILE A 24 -10.237 4.610 -11.563 1.00 0.00 H ATOM 379 2HG1 ILE A 24 -11.158 5.850 -12.399 1.00 0.00 H ATOM 380 1HG2 ILE A 24 -11.515 8.059 -11.383 1.00 0.00 H ATOM 381 2HG2 ILE A 24 -10.731 8.490 -9.845 1.00 0.00 H ATOM 382 3HG2 ILE A 24 -9.760 8.350 -11.329 1.00 0.00 H ATOM 383 1HD1 ILE A 24 -9.049 5.414 -13.527 1.00 0.00 H ATOM 384 2HD1 ILE A 24 -9.086 7.076 -12.891 1.00 0.00 H ATOM 385 3HD1 ILE A 24 -8.152 5.819 -12.045 1.00 0.00 H ATOM 386 N LEU A 25 -8.423 8.129 -8.218 1.00 0.00 N ATOM 387 CA LEU A 25 -8.428 8.960 -7.020 1.00 0.00 C ATOM 388 C LEU A 25 -9.089 10.306 -7.285 1.00 0.00 C ATOM 389 O LEU A 25 -8.529 11.157 -7.978 1.00 0.00 O ATOM 390 CB LEU A 25 -6.994 9.177 -6.520 1.00 0.00 C ATOM 391 CG LEU A 25 -6.340 7.972 -5.831 1.00 0.00 C ATOM 392 CD1 LEU A 25 -5.822 7.004 -6.885 1.00 0.00 C ATOM 393 CD2 LEU A 25 -5.213 8.453 -4.929 1.00 0.00 C ATOM 394 H LEU A 25 -7.783 8.352 -8.968 1.00 0.00 H ATOM 395 HA LEU A 25 -8.991 8.441 -6.242 1.00 0.00 H ATOM 396 1HB LEU A 25 -6.369 9.453 -7.367 1.00 0.00 H ATOM 397 2HB LEU A 25 -6.995 10.004 -5.810 1.00 0.00 H ATOM 398 HG LEU A 25 -7.085 7.447 -5.232 1.00 0.00 H ATOM 399 1HD1 LEU A 25 -5.357 6.148 -6.395 1.00 0.00 H ATOM 400 2HD1 LEU A 25 -6.651 6.661 -7.503 1.00 0.00 H ATOM 401 3HD1 LEU A 25 -5.085 7.507 -7.511 1.00 0.00 H ATOM 402 1HD2 LEU A 25 -4.749 7.597 -4.438 1.00 0.00 H ATOM 403 2HD2 LEU A 25 -4.467 8.978 -5.526 1.00 0.00 H ATOM 404 3HD2 LEU A 25 -5.615 9.130 -4.174 1.00 0.00 H ATOM 405 N ASN A 26 -10.281 10.494 -6.732 1.00 0.00 N ATOM 406 CA ASN A 26 -11.026 11.733 -6.917 1.00 0.00 C ATOM 407 C ASN A 26 -10.583 12.796 -5.919 1.00 0.00 C ATOM 408 O ASN A 26 -11.145 12.910 -4.829 1.00 0.00 O ATOM 409 CB ASN A 26 -12.518 11.481 -6.802 1.00 0.00 C ATOM 410 CG ASN A 26 -13.053 10.653 -7.938 1.00 0.00 C ATOM 411 OD1 ASN A 26 -12.709 10.880 -9.103 1.00 0.00 O ATOM 412 ND2 ASN A 26 -13.889 9.698 -7.620 1.00 0.00 N ATOM 413 H ASN A 26 -10.683 9.758 -6.168 1.00 0.00 H ATOM 414 HA ASN A 26 -10.839 12.102 -7.926 1.00 0.00 H ATOM 415 1HB ASN A 26 -12.730 10.969 -5.863 1.00 0.00 H ATOM 416 2HB ASN A 26 -13.048 12.434 -6.782 1.00 0.00 H ATOM 417 1HD2 ASN A 26 -14.277 9.115 -8.335 1.00 0.00 H ATOM 418 2HD2 ASN A 26 -14.140 9.550 -6.664 1.00 0.00 H ATOM 419 N LEU A 27 -9.574 13.572 -6.298 1.00 0.00 N ATOM 420 CA LEU A 27 -8.842 14.398 -5.344 1.00 0.00 C ATOM 421 C LEU A 27 -9.648 15.631 -4.953 1.00 0.00 C ATOM 422 O LEU A 27 -9.295 16.341 -4.012 1.00 0.00 O ATOM 423 CB LEU A 27 -7.495 14.828 -5.938 1.00 0.00 C ATOM 424 CG LEU A 27 -6.559 13.687 -6.358 1.00 0.00 C ATOM 425 CD1 LEU A 27 -5.361 14.261 -7.103 1.00 0.00 C ATOM 426 CD2 LEU A 27 -6.117 12.913 -5.125 1.00 0.00 C ATOM 427 H LEU A 27 -9.306 13.590 -7.271 1.00 0.00 H ATOM 428 HA LEU A 27 -8.652 13.806 -4.449 1.00 0.00 H ATOM 429 1HB LEU A 27 -7.683 15.442 -6.817 1.00 0.00 H ATOM 430 2HB LEU A 27 -6.968 15.435 -5.202 1.00 0.00 H ATOM 431 HG LEU A 27 -7.085 13.017 -7.038 1.00 0.00 H ATOM 432 1HD1 LEU A 27 -4.696 13.450 -7.401 1.00 0.00 H ATOM 433 2HD1 LEU A 27 -5.705 14.792 -7.990 1.00 0.00 H ATOM 434 3HD1 LEU A 27 -4.824 14.949 -6.452 1.00 0.00 H ATOM 435 1HD2 LEU A 27 -5.452 12.102 -5.424 1.00 0.00 H ATOM 436 2HD2 LEU A 27 -5.590 13.582 -4.445 1.00 0.00 H ATOM 437 3HD2 LEU A 27 -6.991 12.499 -4.622 1.00 0.00 H ATOM 438 N HIS A 28 -10.730 15.880 -5.682 1.00 0.00 N ATOM 439 CA HIS A 28 -11.604 17.011 -5.394 1.00 0.00 C ATOM 440 C HIS A 28 -12.602 16.672 -4.295 1.00 0.00 C ATOM 441 O HIS A 28 -13.330 17.540 -3.814 1.00 0.00 O ATOM 442 CB HIS A 28 -12.355 17.450 -6.655 1.00 0.00 C ATOM 443 CG HIS A 28 -13.077 16.334 -7.344 1.00 0.00 C ATOM 444 ND1 HIS A 28 -12.424 15.373 -8.087 1.00 0.00 N ATOM 445 CD2 HIS A 28 -14.394 16.026 -7.404 1.00 0.00 C ATOM 446 CE1 HIS A 28 -13.310 14.521 -8.574 1.00 0.00 C ATOM 447 NE2 HIS A 28 -14.511 14.895 -8.174 1.00 0.00 N ATOM 448 H HIS A 28 -10.955 15.269 -6.454 1.00 0.00 H ATOM 449 HA HIS A 28 -10.988 17.847 -5.061 1.00 0.00 H ATOM 450 1HB HIS A 28 -13.084 18.219 -6.396 1.00 0.00 H ATOM 451 2HB HIS A 28 -11.653 17.890 -7.362 1.00 0.00 H ATOM 452 HD2 HIS A 28 -15.209 16.574 -6.930 1.00 0.00 H ATOM 453 HE1 HIS A 28 -13.086 13.656 -9.198 1.00 0.00 H ATOM 454 HE2 HIS A 28 -15.380 14.429 -8.395 1.00 0.00 H ATOM 455 N LYS A 29 -12.630 15.403 -3.899 1.00 0.00 N ATOM 456 CA LYS A 29 -13.547 14.945 -2.863 1.00 0.00 C ATOM 457 C LYS A 29 -12.850 14.850 -1.512 1.00 0.00 C ATOM 458 O LYS A 29 -11.688 14.448 -1.429 1.00 0.00 O ATOM 459 CB LYS A 29 -14.147 13.589 -3.241 1.00 0.00 C ATOM 460 CG LYS A 29 -14.886 13.578 -4.573 1.00 0.00 C ATOM 461 CD LYS A 29 -16.120 14.466 -4.528 1.00 0.00 C ATOM 462 CE LYS A 29 -17.195 13.877 -3.626 1.00 0.00 C ATOM 463 NZ LYS A 29 -18.447 14.680 -3.654 1.00 0.00 N ATOM 464 H LYS A 29 -12.000 14.740 -4.327 1.00 0.00 H ATOM 465 HA LYS A 29 -14.367 15.661 -2.784 1.00 0.00 H ATOM 466 1HB LYS A 29 -13.355 12.842 -3.292 1.00 0.00 H ATOM 467 2HB LYS A 29 -14.847 13.273 -2.468 1.00 0.00 H ATOM 468 1HG LYS A 29 -14.221 13.934 -5.361 1.00 0.00 H ATOM 469 2HG LYS A 29 -15.190 12.560 -4.812 1.00 0.00 H ATOM 470 1HD LYS A 29 -15.845 15.454 -4.154 1.00 0.00 H ATOM 471 2HD LYS A 29 -16.525 14.578 -5.533 1.00 0.00 H ATOM 472 1HE LYS A 29 -17.421 12.861 -3.946 1.00 0.00 H ATOM 473 2HE LYS A 29 -16.827 13.837 -2.600 1.00 0.00 H ATOM 474 1HZ LYS A 29 -19.133 14.257 -3.044 1.00 0.00 H ATOM 475 2HZ LYS A 29 -18.252 15.620 -3.340 1.00 0.00 H ATOM 476 3HZ LYS A 29 -18.808 14.708 -4.596 1.00 0.00 H ATOM 477 N GLU A 30 -13.564 15.221 -0.455 1.00 0.00 N ATOM 478 CA GLU A 30 -13.012 15.188 0.893 1.00 0.00 C ATOM 479 C GLU A 30 -12.822 13.755 1.376 1.00 0.00 C ATOM 480 O GLU A 30 -12.089 13.504 2.333 1.00 0.00 O ATOM 481 CB GLU A 30 -13.922 15.947 1.861 1.00 0.00 C ATOM 482 CG GLU A 30 -15.274 15.290 2.100 1.00 0.00 C ATOM 483 CD GLU A 30 -16.321 15.731 1.115 1.00 0.00 C ATOM 484 OE1 GLU A 30 -15.960 16.204 0.065 1.00 0.00 O ATOM 485 OE2 GLU A 30 -17.484 15.593 1.414 1.00 0.00 O ATOM 486 H GLU A 30 -14.515 15.535 -0.590 1.00 0.00 H ATOM 487 HA GLU A 30 -12.040 15.684 0.881 1.00 0.00 H ATOM 488 1HB GLU A 30 -13.424 16.048 2.826 1.00 0.00 H ATOM 489 2HB GLU A 30 -14.102 16.952 1.479 1.00 0.00 H ATOM 490 1HG GLU A 30 -15.157 14.208 2.029 1.00 0.00 H ATOM 491 2HG GLU A 30 -15.608 15.526 3.109 1.00 0.00 H ATOM 492 N GLU A 31 -13.487 12.820 0.709 1.00 0.00 N ATOM 493 CA GLU A 31 -13.344 11.404 1.027 1.00 0.00 C ATOM 494 C GLU A 31 -11.956 10.894 0.664 1.00 0.00 C ATOM 495 O GLU A 31 -11.375 10.080 1.381 1.00 0.00 O ATOM 496 CB GLU A 31 -14.407 10.582 0.295 1.00 0.00 C ATOM 497 CG GLU A 31 -15.831 10.820 0.779 1.00 0.00 C ATOM 498 CD GLU A 31 -16.852 10.040 -0.001 1.00 0.00 C ATOM 499 OE1 GLU A 31 -16.500 9.481 -1.011 1.00 0.00 O ATOM 500 OE2 GLU A 31 -17.986 10.004 0.415 1.00 0.00 O ATOM 501 H GLU A 31 -14.108 13.095 -0.039 1.00 0.00 H ATOM 502 HA GLU A 31 -13.495 11.274 2.100 1.00 0.00 H ATOM 503 1HB GLU A 31 -14.373 10.810 -0.771 1.00 0.00 H ATOM 504 2HB GLU A 31 -14.189 9.520 0.409 1.00 0.00 H ATOM 505 1HG GLU A 31 -15.898 10.538 1.829 1.00 0.00 H ATOM 506 2HG GLU A 31 -16.056 11.883 0.702 1.00 0.00 H ATOM 507 N ILE A 32 -11.428 11.379 -0.456 1.00 0.00 N ATOM 508 CA ILE A 32 -10.135 10.924 -0.953 1.00 0.00 C ATOM 509 C ILE A 32 -8.991 11.641 -0.247 1.00 0.00 C ATOM 510 O ILE A 32 -7.971 11.033 0.078 1.00 0.00 O ATOM 511 CB ILE A 32 -10.022 11.146 -2.472 1.00 0.00 C ATOM 512 CG1 ILE A 32 -11.102 10.350 -3.210 1.00 0.00 C ATOM 513 CG2 ILE A 32 -8.637 10.754 -2.965 1.00 0.00 C ATOM 514 CD1 ILE A 32 -11.051 8.862 -2.946 1.00 0.00 C ATOM 515 H ILE A 32 -11.936 12.082 -0.975 1.00 0.00 H ATOM 516 HA ILE A 32 -10.048 9.854 -0.761 1.00 0.00 H ATOM 517 HB ILE A 32 -10.194 12.197 -2.700 1.00 0.00 H ATOM 518 1HG1 ILE A 32 -12.086 10.715 -2.918 1.00 0.00 H ATOM 519 2HG1 ILE A 32 -11.000 10.508 -4.284 1.00 0.00 H ATOM 520 1HG2 ILE A 32 -8.574 10.916 -4.041 1.00 0.00 H ATOM 521 2HG2 ILE A 32 -7.887 11.362 -2.462 1.00 0.00 H ATOM 522 3HG2 ILE A 32 -8.457 9.701 -2.746 1.00 0.00 H ATOM 523 1HD1 ILE A 32 -11.846 8.367 -3.503 1.00 0.00 H ATOM 524 2HD1 ILE A 32 -10.085 8.469 -3.264 1.00 0.00 H ATOM 525 3HD1 ILE A 32 -11.186 8.677 -1.881 1.00 0.00 H ATOM 526 N GLU A 33 -9.166 12.938 -0.013 1.00 0.00 N ATOM 527 CA GLU A 33 -8.190 13.718 0.739 1.00 0.00 C ATOM 528 C GLU A 33 -7.887 13.073 2.085 1.00 0.00 C ATOM 529 O GLU A 33 -6.729 12.974 2.489 1.00 0.00 O ATOM 530 CB GLU A 33 -8.698 15.146 0.950 1.00 0.00 C ATOM 531 CG GLU A 33 -7.735 16.051 1.704 1.00 0.00 C ATOM 532 CD GLU A 33 -8.236 17.463 1.831 1.00 0.00 C ATOM 533 OE1 GLU A 33 -9.292 17.746 1.320 1.00 0.00 O ATOM 534 OE2 GLU A 33 -7.560 18.259 2.440 1.00 0.00 O ATOM 535 H GLU A 33 -9.996 13.393 -0.364 1.00 0.00 H ATOM 536 HA GLU A 33 -7.268 13.770 0.159 1.00 0.00 H ATOM 537 1HB GLU A 33 -8.902 15.607 -0.017 1.00 0.00 H ATOM 538 2HB GLU A 33 -9.636 15.120 1.505 1.00 0.00 H ATOM 539 1HG GLU A 33 -7.576 15.644 2.702 1.00 0.00 H ATOM 540 2HG GLU A 33 -6.776 16.056 1.187 1.00 0.00 H ATOM 541 N GLU A 34 -8.934 12.634 2.775 1.00 0.00 N ATOM 542 CA GLU A 34 -8.779 11.973 4.065 1.00 0.00 C ATOM 543 C GLU A 34 -8.170 10.586 3.903 1.00 0.00 C ATOM 544 O GLU A 34 -7.303 10.184 4.679 1.00 0.00 O ATOM 545 CB GLU A 34 -10.130 11.868 4.776 1.00 0.00 C ATOM 546 CG GLU A 34 -10.060 11.264 6.172 1.00 0.00 C ATOM 547 CD GLU A 34 -9.309 12.129 7.146 1.00 0.00 C ATOM 548 OE1 GLU A 34 -9.141 13.293 6.872 1.00 0.00 O ATOM 549 OE2 GLU A 34 -8.903 11.624 8.167 1.00 0.00 O ATOM 550 H GLU A 34 -9.862 12.763 2.396 1.00 0.00 H ATOM 551 HA GLU A 34 -8.115 12.576 4.686 1.00 0.00 H ATOM 552 1HB GLU A 34 -10.574 12.860 4.863 1.00 0.00 H ATOM 553 2HB GLU A 34 -10.808 11.256 4.181 1.00 0.00 H ATOM 554 1HG GLU A 34 -11.073 11.115 6.543 1.00 0.00 H ATOM 555 2HG GLU A 34 -9.577 10.290 6.111 1.00 0.00 H ATOM 556 N LEU A 35 -8.629 9.858 2.891 1.00 0.00 N ATOM 557 CA LEU A 35 -8.121 8.519 2.618 1.00 0.00 C ATOM 558 C LEU A 35 -6.606 8.526 2.463 1.00 0.00 C ATOM 559 O LEU A 35 -5.910 7.687 3.036 1.00 0.00 O ATOM 560 CB LEU A 35 -8.769 7.956 1.347 1.00 0.00 C ATOM 561 CG LEU A 35 -8.233 6.598 0.873 1.00 0.00 C ATOM 562 CD1 LEU A 35 -8.570 5.531 1.905 1.00 0.00 C ATOM 563 CD2 LEU A 35 -8.836 6.259 -0.482 1.00 0.00 C ATOM 564 H LEU A 35 -9.348 10.243 2.295 1.00 0.00 H ATOM 565 HA LEU A 35 -8.385 7.871 3.455 1.00 0.00 H ATOM 566 1HB LEU A 35 -9.838 7.847 1.520 1.00 0.00 H ATOM 567 2HB LEU A 35 -8.624 8.670 0.537 1.00 0.00 H ATOM 568 HG LEU A 35 -7.147 6.646 0.785 1.00 0.00 H ATOM 569 1HD1 LEU A 35 -8.190 4.566 1.568 1.00 0.00 H ATOM 570 2HD1 LEU A 35 -8.110 5.788 2.859 1.00 0.00 H ATOM 571 3HD1 LEU A 35 -9.651 5.471 2.027 1.00 0.00 H ATOM 572 1HD2 LEU A 35 -8.455 5.295 -0.819 1.00 0.00 H ATOM 573 2HD2 LEU A 35 -9.922 6.210 -0.395 1.00 0.00 H ATOM 574 3HD2 LEU A 35 -8.565 7.029 -1.204 1.00 0.00 H ATOM 575 N ILE A 36 -6.099 9.478 1.687 1.00 0.00 N ATOM 576 CA ILE A 36 -4.675 9.541 1.382 1.00 0.00 C ATOM 577 C ILE A 36 -3.859 9.855 2.630 1.00 0.00 C ATOM 578 O ILE A 36 -2.848 9.206 2.901 1.00 0.00 O ATOM 579 CB ILE A 36 -4.391 10.601 0.302 1.00 0.00 C ATOM 580 CG1 ILE A 36 -5.024 10.190 -1.029 1.00 0.00 C ATOM 581 CG2 ILE A 36 -2.893 10.808 0.141 1.00 0.00 C ATOM 582 CD1 ILE A 36 -5.042 11.292 -2.064 1.00 0.00 C ATOM 583 H ILE A 36 -6.717 10.175 1.297 1.00 0.00 H ATOM 584 HA ILE A 36 -4.360 8.573 0.993 1.00 0.00 H ATOM 585 HB ILE A 36 -4.849 11.546 0.590 1.00 0.00 H ATOM 586 1HG1 ILE A 36 -4.481 9.341 -1.444 1.00 0.00 H ATOM 587 2HG1 ILE A 36 -6.052 9.867 -0.859 1.00 0.00 H ATOM 588 1HG2 ILE A 36 -2.710 11.559 -0.627 1.00 0.00 H ATOM 589 2HG2 ILE A 36 -2.468 11.144 1.086 1.00 0.00 H ATOM 590 3HG2 ILE A 36 -2.425 9.868 -0.153 1.00 0.00 H ATOM 591 1HD1 ILE A 36 -5.506 10.925 -2.979 1.00 0.00 H ATOM 592 2HD1 ILE A 36 -5.612 12.140 -1.683 1.00 0.00 H ATOM 593 3HD1 ILE A 36 -4.022 11.607 -2.277 1.00 0.00 H ATOM 594 N ARG A 37 -4.304 10.852 3.386 1.00 0.00 N ATOM 595 CA ARG A 37 -3.592 11.281 4.585 1.00 0.00 C ATOM 596 C ARG A 37 -3.651 10.215 5.671 1.00 0.00 C ATOM 597 O ARG A 37 -2.676 9.994 6.391 1.00 0.00 O ATOM 598 CB ARG A 37 -4.179 12.579 5.120 1.00 0.00 C ATOM 599 CG ARG A 37 -3.898 13.807 4.268 1.00 0.00 C ATOM 600 CD ARG A 37 -2.441 14.064 4.139 1.00 0.00 C ATOM 601 NE ARG A 37 -1.803 14.234 5.434 1.00 0.00 N ATOM 602 CZ ARG A 37 -0.473 14.335 5.625 1.00 0.00 C ATOM 603 NH1 ARG A 37 0.344 14.283 4.596 1.00 0.00 N ATOM 604 NH2 ARG A 37 0.009 14.487 6.846 1.00 0.00 N ATOM 605 H ARG A 37 -5.157 11.326 3.126 1.00 0.00 H ATOM 606 HA ARG A 37 -2.547 11.457 4.323 1.00 0.00 H ATOM 607 1HB ARG A 37 -5.260 12.480 5.209 1.00 0.00 H ATOM 608 2HB ARG A 37 -3.785 12.773 6.117 1.00 0.00 H ATOM 609 1HG ARG A 37 -4.311 13.659 3.270 1.00 0.00 H ATOM 610 2HG ARG A 37 -4.362 14.681 4.726 1.00 0.00 H ATOM 611 1HD ARG A 37 -1.967 13.224 3.632 1.00 0.00 H ATOM 612 2HD ARG A 37 -2.283 14.973 3.559 1.00 0.00 H ATOM 613 HE ARG A 37 -2.400 14.278 6.250 1.00 0.00 H ATOM 614 1HH1 ARG A 37 -0.025 14.167 3.663 1.00 0.00 H ATOM 615 2HH1 ARG A 37 1.340 14.359 4.739 1.00 0.00 H ATOM 616 1HH2 ARG A 37 -0.619 14.527 7.636 1.00 0.00 H ATOM 617 2HH2 ARG A 37 1.006 14.563 6.988 1.00 0.00 H ATOM 618 N ARG A 38 -4.798 9.556 5.785 1.00 0.00 N ATOM 619 CA ARG A 38 -4.984 8.504 6.778 1.00 0.00 C ATOM 620 C ARG A 38 -4.052 7.328 6.515 1.00 0.00 C ATOM 621 O ARG A 38 -3.353 6.863 7.415 1.00 0.00 O ATOM 622 CB ARG A 38 -6.425 8.016 6.777 1.00 0.00 C ATOM 623 CG ARG A 38 -6.733 6.930 7.796 1.00 0.00 C ATOM 624 CD ARG A 38 -8.153 6.500 7.727 1.00 0.00 C ATOM 625 NE ARG A 38 -8.444 5.785 6.495 1.00 0.00 N ATOM 626 CZ ARG A 38 -8.094 4.507 6.251 1.00 0.00 C ATOM 627 NH1 ARG A 38 -7.442 3.818 7.162 1.00 0.00 N ATOM 628 NH2 ARG A 38 -8.406 3.945 5.096 1.00 0.00 N ATOM 629 H ARG A 38 -5.563 9.789 5.167 1.00 0.00 H ATOM 630 HA ARG A 38 -4.758 8.915 7.763 1.00 0.00 H ATOM 631 1HB ARG A 38 -7.092 8.854 6.977 1.00 0.00 H ATOM 632 2HB ARG A 38 -6.676 7.625 5.791 1.00 0.00 H ATOM 633 1HG ARG A 38 -6.102 6.062 7.604 1.00 0.00 H ATOM 634 2HG ARG A 38 -6.537 7.307 8.800 1.00 0.00 H ATOM 635 1HD ARG A 38 -8.373 5.839 8.565 1.00 0.00 H ATOM 636 2HD ARG A 38 -8.801 7.374 7.775 1.00 0.00 H ATOM 637 HE ARG A 38 -8.944 6.282 5.770 1.00 0.00 H ATOM 638 1HH1 ARG A 38 -7.203 4.248 8.045 1.00 0.00 H ATOM 639 2HH1 ARG A 38 -7.179 2.861 6.979 1.00 0.00 H ATOM 640 1HH2 ARG A 38 -8.907 4.474 4.396 1.00 0.00 H ATOM 641 2HH2 ARG A 38 -8.143 2.988 4.913 1.00 0.00 H ATOM 642 N LEU A 39 -4.048 6.849 5.275 1.00 0.00 N ATOM 643 CA LEU A 39 -3.204 5.724 4.891 1.00 0.00 C ATOM 644 C LEU A 39 -1.728 6.095 4.955 1.00 0.00 C ATOM 645 O LEU A 39 -0.882 5.260 5.275 1.00 0.00 O ATOM 646 CB LEU A 39 -3.559 5.256 3.474 1.00 0.00 C ATOM 647 CG LEU A 39 -4.905 4.535 3.329 1.00 0.00 C ATOM 648 CD1 LEU A 39 -5.170 4.244 1.858 1.00 0.00 C ATOM 649 CD2 LEU A 39 -4.884 3.251 4.145 1.00 0.00 C ATOM 650 H LEU A 39 -4.644 7.277 4.581 1.00 0.00 H ATOM 651 HA LEU A 39 -3.389 4.902 5.584 1.00 0.00 H ATOM 652 1HB LEU A 39 -3.575 6.122 2.815 1.00 0.00 H ATOM 653 2HB LEU A 39 -2.780 4.576 3.127 1.00 0.00 H ATOM 654 HG LEU A 39 -5.705 5.181 3.690 1.00 0.00 H ATOM 655 1HD1 LEU A 39 -6.127 3.731 1.755 1.00 0.00 H ATOM 656 2HD1 LEU A 39 -5.200 5.180 1.301 1.00 0.00 H ATOM 657 3HD1 LEU A 39 -4.376 3.611 1.464 1.00 0.00 H ATOM 658 1HD2 LEU A 39 -5.841 2.739 4.043 1.00 0.00 H ATOM 659 2HD2 LEU A 39 -4.085 2.603 3.784 1.00 0.00 H ATOM 660 3HD2 LEU A 39 -4.711 3.490 5.195 1.00 0.00 H ATOM 661 N LEU A 40 -1.425 7.351 4.649 1.00 0.00 N ATOM 662 CA LEU A 40 -0.058 7.850 4.724 1.00 0.00 C ATOM 663 C LEU A 40 0.543 7.603 6.102 1.00 0.00 C ATOM 664 O LEU A 40 1.703 7.205 6.222 1.00 0.00 O ATOM 665 CB LEU A 40 -0.022 9.350 4.405 1.00 0.00 C ATOM 666 CG LEU A 40 1.371 9.992 4.381 1.00 0.00 C ATOM 667 CD1 LEU A 40 1.407 11.089 3.326 1.00 0.00 C ATOM 668 CD2 LEU A 40 1.698 10.548 5.759 1.00 0.00 C ATOM 669 H LEU A 40 -2.162 7.978 4.357 1.00 0.00 H ATOM 670 HA LEU A 40 0.544 7.325 3.981 1.00 0.00 H ATOM 671 1HB LEU A 40 -0.477 9.508 3.429 1.00 0.00 H ATOM 672 2HB LEU A 40 -0.618 9.878 5.150 1.00 0.00 H ATOM 673 HG LEU A 40 2.113 9.242 4.107 1.00 0.00 H ATOM 674 1HD1 LEU A 40 2.397 11.545 3.309 1.00 0.00 H ATOM 675 2HD1 LEU A 40 1.188 10.660 2.348 1.00 0.00 H ATOM 676 3HD1 LEU A 40 0.662 11.848 3.564 1.00 0.00 H ATOM 677 1HD2 LEU A 40 2.688 11.004 5.742 1.00 0.00 H ATOM 678 2HD2 LEU A 40 0.957 11.299 6.033 1.00 0.00 H ATOM 679 3HD2 LEU A 40 1.683 9.740 6.491 1.00 0.00 H ATOM 680 N LYS A 41 -0.251 7.841 7.141 1.00 0.00 N ATOM 681 CA LYS A 41 0.218 7.692 8.513 1.00 0.00 C ATOM 682 C LYS A 41 0.138 6.240 8.968 1.00 0.00 C ATOM 683 O LYS A 41 0.971 5.778 9.748 1.00 0.00 O ATOM 684 CB LYS A 41 -0.592 8.584 9.455 1.00 0.00 C ATOM 685 CG LYS A 41 -0.417 10.077 9.215 1.00 0.00 C ATOM 686 CD LYS A 41 1.010 10.519 9.505 1.00 0.00 C ATOM 687 CE LYS A 41 1.320 10.451 10.993 1.00 0.00 C ATOM 688 NZ LYS A 41 2.669 10.996 11.305 1.00 0.00 N ATOM 689 H LYS A 41 -1.203 8.133 6.974 1.00 0.00 H ATOM 690 HA LYS A 41 1.257 8.018 8.561 1.00 0.00 H ATOM 691 1HB LYS A 41 -1.653 8.351 9.354 1.00 0.00 H ATOM 692 2HB LYS A 41 -0.309 8.375 10.487 1.00 0.00 H ATOM 693 1HG LYS A 41 -0.656 10.309 8.177 1.00 0.00 H ATOM 694 2HG LYS A 41 -1.098 10.632 9.859 1.00 0.00 H ATOM 695 1HD LYS A 41 1.707 9.876 8.966 1.00 0.00 H ATOM 696 2HD LYS A 41 1.150 11.544 9.161 1.00 0.00 H ATOM 697 1HE LYS A 41 0.575 11.019 11.546 1.00 0.00 H ATOM 698 2HE LYS A 41 1.275 9.414 11.326 1.00 0.00 H ATOM 699 1HZ LYS A 41 2.836 10.932 12.300 1.00 0.00 H ATOM 700 2HZ LYS A 41 3.371 10.463 10.811 1.00 0.00 H ATOM 701 3HZ LYS A 41 2.717 11.963 11.018 1.00 0.00 H ATOM 702 N ARG A 42 -0.868 5.526 8.477 1.00 0.00 N ATOM 703 CA ARG A 42 -1.115 4.155 8.904 1.00 0.00 C ATOM 704 C ARG A 42 -0.101 3.196 8.292 1.00 0.00 C ATOM 705 O ARG A 42 0.365 2.267 8.952 1.00 0.00 O ATOM 706 CB ARG A 42 -2.520 3.718 8.517 1.00 0.00 C ATOM 707 CG ARG A 42 -2.875 2.290 8.901 1.00 0.00 C ATOM 708 CD ARG A 42 -2.924 2.114 10.375 1.00 0.00 C ATOM 709 NE ARG A 42 -3.202 0.736 10.747 1.00 0.00 N ATOM 710 CZ ARG A 42 -2.268 -0.226 10.873 1.00 0.00 C ATOM 711 NH1 ARG A 42 -1.003 0.054 10.652 1.00 0.00 N ATOM 712 NH2 ARG A 42 -2.624 -1.452 11.217 1.00 0.00 N ATOM 713 H ARG A 42 -1.479 5.944 7.789 1.00 0.00 H ATOM 714 HA ARG A 42 -1.027 4.110 9.991 1.00 0.00 H ATOM 715 1HB ARG A 42 -3.248 4.377 8.988 1.00 0.00 H ATOM 716 2HB ARG A 42 -2.645 3.810 7.438 1.00 0.00 H ATOM 717 1HG ARG A 42 -3.854 2.036 8.493 1.00 0.00 H ATOM 718 2HG ARG A 42 -2.126 1.608 8.498 1.00 0.00 H ATOM 719 1HD ARG A 42 -1.964 2.397 10.807 1.00 0.00 H ATOM 720 2HD ARG A 42 -3.708 2.745 10.791 1.00 0.00 H ATOM 721 HE ARG A 42 -4.165 0.483 10.925 1.00 0.00 H ATOM 722 1HH1 ARG A 42 -0.731 0.990 10.389 1.00 0.00 H ATOM 723 2HH1 ARG A 42 -0.302 -0.668 10.746 1.00 0.00 H ATOM 724 1HH2 ARG A 42 -3.597 -1.667 11.386 1.00 0.00 H ATOM 725 2HH2 ARG A 42 -1.924 -2.173 11.311 1.00 0.00 H ATOM 726 N ILE A 43 0.236 3.428 7.029 1.00 0.00 N ATOM 727 CA ILE A 43 1.109 2.522 6.291 1.00 0.00 C ATOM 728 C ILE A 43 2.575 2.793 6.603 1.00 0.00 C ATOM 729 O ILE A 43 2.958 3.924 6.902 1.00 0.00 O ATOM 730 OXT ILE A 43 3.373 1.898 6.557 1.00 0.00 O ATOM 731 CB ILE A 43 0.874 2.648 4.774 1.00 0.00 C ATOM 732 CG1 ILE A 43 -0.539 2.185 4.412 1.00 0.00 C ATOM 733 CG2 ILE A 43 1.914 1.846 4.007 1.00 0.00 C ATOM 734 CD1 ILE A 43 -0.931 2.480 2.982 1.00 0.00 C ATOM 735 H ILE A 43 -0.119 4.252 6.568 1.00 0.00 H ATOM 736 HA ILE A 43 0.872 1.499 6.583 1.00 0.00 H ATOM 737 HB ILE A 43 0.947 3.695 4.481 1.00 0.00 H ATOM 738 1HG1 ILE A 43 -0.623 1.111 4.574 1.00 0.00 H ATOM 739 2HG1 ILE A 43 -1.261 2.671 5.070 1.00 0.00 H ATOM 740 1HG2 ILE A 43 1.733 1.946 2.937 1.00 0.00 H ATOM 741 2HG2 ILE A 43 2.909 2.221 4.243 1.00 0.00 H ATOM 742 3HG2 ILE A 43 1.845 0.796 4.290 1.00 0.00 H ATOM 743 1HD1 ILE A 43 -1.946 2.123 2.802 1.00 0.00 H ATOM 744 2HD1 ILE A 43 -0.889 3.556 2.808 1.00 0.00 H ATOM 745 3HD1 ILE A 43 -0.244 1.975 2.305 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE start11_0089_0002.pdb label fa_atr fa_rep fa_sol fa_intra_atr_xover4 fa_intra_rep_xover4 fa_intra_sol_xover4 lk_ball lk_ball_iso lk_ball_bridge lk_ball_bridge_uncpl fa_elec fa_intra_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun_dev fa_dun_rot fa_dun_semi p_aa_pp hxl_tors ref rama_prepro gen_bonded total weights 1 0.55 1 1 0.55 1 0.92 -0.38 -0.33 -0.33 1 1 1.25 1 1 1 1 1.25 0.48 0.69 0.76 0.78 0.61 1 1 0.5 1 NA pose -227.438 26.8237 153.551 -22.6316 22.3335 16.6282 75.8859 -90.4428 -0.18602 -1.15075 -46.6563 -15.2731 0 -25.7862 -2.47846 0 0 0 2.14778 4.42426 29.7717 38.7688 -12.3709 2.89916 -24.2083 0.36572 0 -95.022 SER:NtermProteinFull_1 -3.05601 0.12814 3.14377 -0.03007 0 0.0596 1.92165 -1.618 -0 -0 -1.32805 -1.53106 0 0 0 0 0 0 0.06596 0.06402 0.23942 0 0 0.60858 -0.77834 0 0 -2.11039 GLU_2 -3.82748 0.25217 3.96639 -0.46408 0.25808 1.45752 1.69487 -1.92717 -0.04083 -0.23777 -1.48889 -2.92041 0 0 0 0 0 0 -0.05635 0.01357 0 4.03507 -0.32685 0 -2.7348 -0.24546 0 -2.5924 GLU_3 -3.75195 0.31422 4.13365 -0.32314 0.04317 0.36629 1.64791 -1.94898 -0.02976 -0.18772 -0.84301 -0.57603 0 0 0 0 0 0 0.07941 0.16448 0 3.12701 -0.10147 0 -2.7348 -0.19083 0 -0.81155 TRP_4 -10.2181 1.68354 3.13647 -1.37754 0.28595 0.58481 2.54299 -2.98807 -0.00528 -0.0602 -1.47238 -0.18081 0 0 0 0 0 0 -0.03378 0.05545 0 1.81828 -0.17183 0 1.6906 0.10567 0 -4.60423 VAL_5 -7.53436 1.19982 3.85213 -0.30886 0.27267 0.069 2.58485 -2.83092 -0.00594 -0.03953 -1.75299 0.02948 0 0 0 0 0 0 0.08014 0.15136 0.0273 0 -0.28081 0 1.9342 0.41382 0 -2.13865 GLU_6 -3.94877 0.11359 4.59958 -0.21277 0.02426 0.28565 1.87035 -2.11554 -0.00257 -0.04362 -1.64878 -0.57331 0 0 0 0 0 0 -0.02459 0.08617 0 3.03108 -0.16517 0 -2.7348 0.25782 0 -1.2014 ILE_7 -6.30637 0.64896 4.17875 -0.50688 0.5845 0.09754 2.26719 -2.4619 -0.00194 -0.01752 -1.72405 0.11386 0 0 0 0 0 0 0.07147 0.177 0.55948 0 -0.50662 0 0.73287 0.10996 0 -1.98373 ALA_8 -6.67094 0.78545 2.59594 -0.02196 0 0 2.45693 -2.61984 -0 -0 -2.40319 -0.3589 0 0 0 0 0 0 -0.04029 0 0 0 -0.24744 0 1.8394 0.11552 0 -4.56932 LEU_9 -7.27491 0.80854 4.85595 -1.011 5.08182 0.50598 2.70913 -2.91612 -0 -0 -1.83426 0.13352 0 0 0 0 0 0 -0.01367 0.02488 1.84125 0 -0.20453 0 0.18072 0.12297 0 3.01027 ARG_10 -5.64189 0.56048 5.06178 -0.95469 0.4166 0.75587 2.09282 -2.56416 -0.00595 -0.03974 -1.64804 0.16842 0 0 0 0 0 0 -0.0372 0.12125 2.89231 0 -0.07731 0 -1.2888 0.28286 0 0.09462 LEU_11 -8.34229 1.11026 4.97701 -0.50976 0.4842 0.12524 2.97214 -3.20265 -0 -0 -2.82476 0.22578 0 0 0 0 0 0 0.29407 0.10487 0.33979 0 -0.29853 0 0.18072 -0.06187 0 -4.42578 LEU_12 -7.87482 1.20064 3.18747 -0.7018 0.35413 0.25528 2.29056 -2.52492 -0 -0 -0.97836 0.17824 0 0 0 0 0 0 -0.01067 0.14109 0.80076 0 -0.19417 0 0.18072 0.22526 0 -3.47059 GLU_13 -3.55765 0.10177 3.81001 -0.2161 0.02621 0.29122 1.18776 -1.78114 -1e-05 -0.00021 -0.64988 -0.586 0 0 0 0 0 0 -0.00228 0.15646 0 3.0486 -0.313 0 -2.7348 0.11287 0 -1.10617 LEU_14 -6.16948 0.75072 3.81599 -0.50702 0.54514 0.12367 1.15343 -2.0697 -0 -0 0.11246 0.22924 0 0 0 0 0 0 -0.04897 0.07685 0.36649 0 -0.2866 0 0.18072 -0.30365 0 -2.03071 GLY_15 -2.04585 0.10896 2.42017 -5e-05 0 0 1.14451 -1.22752 -0 -0 -0.89485 -0.3855 0 0 0 0 0 0 -0.04792 0 0 0 -1.39175 0 0.83697 0.11645 0 -1.36637 ARG_16 -4.78472 0.80762 3.24454 -0.42768 0.05562 0.21449 1.28595 -1.71079 -0 -0 -0.32381 0.33638 0 0 0 0 0 0 -0.0021 0.0909 2.1492 0 -0.04939 0 -1.2888 0.26382 0 -0.13877 GLU_17 -1.55018 0.10573 1.20088 -0.29194 0.06025 0.34651 0.17622 -0.64002 -0 -0 -0.05054 -0.26024 0 0 0 0 0 0 0.01849 0.00715 0 2.73956 -0.06127 0 -2.7348 -0.06 0 -0.99421 ALA_18 -3.90278 1.13903 0.80935 -0.02481 0.00019 0 1.03065 -1.18556 -0 -0 -0.20246 -0.39631 0 0 0 0 0 0 -0.0098 0 0 0 0.51235 0 1.8394 0.13637 0 -0.25439 ASN_19 -3.61498 0.3196 2.49908 -0.3333 0.22878 0.65207 0.84911 -1.55438 -0.00499 -0.01437 -0.53094 -0.81082 0 0 0 0 0 0 0.58601 0.01539 0 1.80605 -0.83869 0 -0.93687 0.58977 0 -1.09349 ILE_20 -7.93717 1.19043 2.66267 -0.49972 0.63063 0.11829 2.12571 -2.45785 -0.00528 -0.0602 -1.27773 -0.0975 0 0 0 0 0 0 0.09663 0.36585 0.26936 0 -0.60589 0 0.73287 0.20524 0 -4.54365 ASN_21 -1.97329 0.31754 1.91789 -0.19295 0.02718 0.33076 0.60828 -0.99949 -0.00499 -0.01437 0.22191 -1.01451 0 0 0 0 0 0 0.13937 0.07661 0 1.87147 -1.00453 0 -0.93687 -0.40106 0 -1.03106 GLY_22 -1.61677 0.16637 1.96994 -6e-05 0 0 0.45858 -1.00893 -0.00019 -0.00049 -0.43051 -0.40956 0 0 0 0 0 0 -0.14695 0 0 0 -1.48955 0 0.83697 -0.73447 0 -2.40561 THR_23 -4.57986 0.60105 4.61581 -0.1787 0.1474 0.06405 2.38189 -2.41818 -2e-05 -5e-05 -2.13202 -0.14097 0 0 0 0 0 0 -0.00942 0.06271 0.08746 0 -0.01388 2.29058 -1.0874 -0.45735 0 -0.76691 ILE_24 -3.54317 0.32072 1.19344 -0.663 1.16031 0.12894 0.32195 -1.24236 -0.00118 -0.00314 -0.30654 0.54605 0 0 0 0 0 0 -0.0686 0.06843 0.87587 0 -0.60276 0 0.73287 -0.32615 0 -1.40832 LEU_25 -7.69192 1.22273 0.16569 -0.51838 0.83985 0.14236 1.08475 -1.74137 -2e-05 -5e-05 -0.3733 -0.04231 0 0 0 0 0 0 0.00099 0.20191 2.08124 0 -0.25794 0 0.18072 -0.23944 0 -4.94451 ASN_26 -5.20148 0.83245 4.18123 -0.1926 0.02377 0.30486 1.72453 -2.12402 -0.001 -0.00268 -0.66651 -0.57065 0 0 0 0 0 0 0.81099 0.00018 0 2.65837 -0.59428 0 -0.93687 0.11673 0 0.36301 LEU_27 -6.8188 1.18685 1.6205 -0.52194 0.39284 0.1383 1.17218 -1.97768 -0 -0 -0.0711 0.19207 0 0 0 0 0 0 0.02726 0.39969 0.17283 0 -0.11663 0 0.18072 -0.05697 0 -4.07986 HIS_28 -3.66444 0.37669 3.39402 -0.71707 0.01114 0.81751 0.33974 -1.57731 -0 -0 -0.33465 -2.10084 0 0 0 0 0 0 -0.04678 0.58106 0 1.9348 -0.10973 0 -0.45461 -0.32642 0 -1.8769 LYS_29 -5.73324 0.44457 6.27051 -0.7554 1.13744 0.36026 2.85231 -2.60233 -0.02891 -0.15689 -1.70111 0.33114 0 0 0 0 0 0 0.02023 0.0233 2.48704 0 0.11078 0 -1.5107 -0.33511 0 1.21389 GLU_30 -2.9724 0.24597 3.729 -0.57561 0.32554 1.52671 1.02057 -1.605 -0.02891 -0.15686 -1.0955 -2.97086 0 0 0 0 0 0 0.11387 0.06225 0 3.32787 -0.19455 0 -2.7348 -0.32384 0 -2.30655 GLU_31 -3.45695 0.40663 3.585 -0.21572 0.03263 0.30442 1.27327 -1.6244 -0 -0 -0.60823 -0.58825 0 0 0 0 0 0 -0.04489 0.00347 0 3.04409 -0.29975 0 -2.7348 -0.43865 0 -1.36214 ILE_32 -8.19545 1.05196 4.70314 -0.71483 1.47376 0.16654 2.70154 -2.85986 -0 -0 -1.34892 0.27608 0 0 0 0 0 0 0.26841 0.00844 0.88984 0 -0.34271 0 0.73287 -0.2153 0 -1.40451 GLU_33 -4.89307 0.23751 4.3946 -0.33397 0.06983 0.39212 1.98072 -2.23964 -0 -0 -1.59301 -0.59795 0 0 0 0 0 0 0.03339 0.01166 0 3.03163 -0.11052 0 -2.7348 0.12969 0 -2.2218 GLU_34 -4.21444 0.28028 5.30939 -0.62992 0.17764 1.15861 2.16992 -2.39723 -0.00327 -0.0196 -2.156 -0.66008 0 0 0 0 0 0 0.03214 0.03303 0 3.29493 -0.21618 0 -2.7348 0.00553 0 -0.57006 LEU_35 -6.84217 0.43835 4.83367 -0.70685 0.35816 0.26716 2.87659 -2.71452 -0 -0 -1.57299 0.15021 0 0 0 0 0 0 0.02386 0.1899 0.84905 0 -0.18275 0 0.18072 0.24401 0 -1.60762 ILE_36 -10.018 1.91661 3.1683 -0.51173 0.63355 0.09934 2.46637 -2.94091 -0 -0 -2.10968 0.11772 0 0 0 0 0 0 -0.06199 0.02622 0.54093 0 -0.4773 0 0.73287 0.55798 0 -5.85969 ARG_37 -5.90599 0.29701 5.14473 -1.17532 0.92722 0.74918 2.40392 -2.57536 -0 -0 -1.11878 0.49379 0 0 0 0 0 0 0.01536 0.25236 2.53079 0 -0.10962 0 -1.2888 0.10879 0 0.74928 ARG_38 -5.70574 0.23775 6.19595 -1.07204 0.3643 0.68745 2.84121 -2.88911 -0 -0 -2.59013 0.22665 0 0 0 0 0 0 0.01283 0.11086 2.24617 0 0.02475 0 -1.2888 0.27048 0 -0.32742 LEU_39 -8.15441 0.88927 4.86423 -0.5241 0.88083 0.13136 2.81247 -2.95136 -0.00327 -0.0196 -1.72825 0.26478 0 0 0 0 0 0 0.1381 0.09874 0.30081 0 -0.31857 0 0.18072 0.27202 0 -2.8662 LEU_40 -6.87614 1.18523 3.96189 -0.69272 1.06719 0.30556 1.8207 -2.50233 -0 -0 -0.33375 -0.09961 0 0 0 0 0 0 -0.04285 0.27845 1.44615 0 -0.19424 0 0.18072 0.18768 0 -0.30809 LYS_41 -3.44262 0.21711 3.6511 -0.82842 1.44332 0.5083 1.38863 -1.71714 -0 -0 -0.15872 0.26156 0 0 0 0 0 0 -0.03756 0.03201 1.94285 0 -0.15798 0 -1.5107 0.21845 0 1.81019 ARG_42 -2.82916 0.08668 3.21263 -1.59834 0.62815 1.52394 1.29489 -1.40533 -0 -0 -0.51165 -1.03241 0 0 0 0 0 0 0.00545 0.00857 3.40077 0 -0.10403 0 -1.2888 -0.07284 0 1.31851 ILE:CtermProteinFull_43 -5.09751 0.53471 3.31719 -0.58878 0.85926 0.2114 1.88623 -1.98367 -0.0117 -0.07614 -0.17239 -0.64318 0 0 0 0 0 0 0 0.07767 0.43459 0 0 0 0.73287 -0.01465 0 -0.53411 #END_POSE_ENERGIES_TABLE start11_0089_0002.pdb score_per_res -2.2362 total_score -96.1568
HEEH_KT_rd6_2513.pdb
ATOM 1 N THR A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA THR A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C THR A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O THR A 1 1.656 2.232 -0.855 1.00 0.00 O ATOM 5 CB THR A 1 2.012 -0.770 -1.213 1.00 0.00 C ATOM 6 OG1 THR A 1 1.590 -2.138 -1.148 1.00 0.00 O ATOM 7 CG2 THR A 1 3.532 -0.713 -1.232 1.00 0.00 C ATOM 8 1H THR A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 9 2H THR A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 10 3H THR A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 11 HA THR A 1 1.804 -0.509 0.900 1.00 0.00 H ATOM 12 HB THR A 1 1.626 -0.328 -2.132 1.00 0.00 H ATOM 13 HG1 THR A 1 1.707 -2.550 -2.007 1.00 0.00 H ATOM 14 1HG2 THR A 1 3.906 -1.262 -2.096 1.00 0.00 H ATOM 15 2HG2 THR A 1 3.857 0.326 -1.293 1.00 0.00 H ATOM 16 3HG2 THR A 1 3.924 -1.162 -0.320 1.00 0.00 H ATOM 17 N GLU A 2 2.875 1.713 0.963 1.00 0.00 N ATOM 18 CA GLU A 2 3.411 3.059 1.129 1.00 0.00 C ATOM 19 C GLU A 2 4.198 3.493 -0.100 1.00 0.00 C ATOM 20 O GLU A 2 4.131 4.651 -0.516 1.00 0.00 O ATOM 21 CB GLU A 2 4.304 3.129 2.369 1.00 0.00 C ATOM 22 CG GLU A 2 4.916 4.498 2.627 1.00 0.00 C ATOM 23 CD GLU A 2 5.647 4.575 3.939 1.00 0.00 C ATOM 24 OE1 GLU A 2 5.738 3.572 4.606 1.00 0.00 O ATOM 25 OE2 GLU A 2 6.114 5.638 4.275 1.00 0.00 O ATOM 26 H GLU A 2 3.171 0.985 1.598 1.00 0.00 H ATOM 27 HA GLU A 2 2.578 3.748 1.272 1.00 0.00 H ATOM 28 1HB GLU A 2 3.725 2.849 3.250 1.00 0.00 H ATOM 29 2HB GLU A 2 5.119 2.411 2.272 1.00 0.00 H ATOM 30 1HG GLU A 2 5.612 4.731 1.822 1.00 0.00 H ATOM 31 2HG GLU A 2 4.124 5.246 2.613 1.00 0.00 H ATOM 32 N GLU A 3 4.945 2.559 -0.680 1.00 0.00 N ATOM 33 CA GLU A 3 5.793 2.858 -1.827 1.00 0.00 C ATOM 34 C GLU A 3 4.962 3.300 -3.025 1.00 0.00 C ATOM 35 O GLU A 3 5.374 4.174 -3.789 1.00 0.00 O ATOM 36 CB GLU A 3 6.635 1.635 -2.200 1.00 0.00 C ATOM 37 CG GLU A 3 7.691 1.261 -1.170 1.00 0.00 C ATOM 38 CD GLU A 3 8.439 0.007 -1.529 1.00 0.00 C ATOM 39 OE1 GLU A 3 8.042 -0.654 -2.458 1.00 0.00 O ATOM 40 OE2 GLU A 3 9.410 -0.290 -0.873 1.00 0.00 O ATOM 41 H GLU A 3 4.925 1.617 -0.315 1.00 0.00 H ATOM 42 HA GLU A 3 6.472 3.666 -1.555 1.00 0.00 H ATOM 43 1HB GLU A 3 5.983 0.773 -2.340 1.00 0.00 H ATOM 44 2HB GLU A 3 7.142 1.819 -3.148 1.00 0.00 H ATOM 45 1HG GLU A 3 8.402 2.081 -1.080 1.00 0.00 H ATOM 46 2HG GLU A 3 7.208 1.126 -0.203 1.00 0.00 H ATOM 47 N GLU A 4 3.791 2.693 -3.184 1.00 0.00 N ATOM 48 CA GLU A 4 2.908 3.012 -4.299 1.00 0.00 C ATOM 49 C GLU A 4 2.283 4.391 -4.128 1.00 0.00 C ATOM 50 O GLU A 4 2.077 5.115 -5.102 1.00 0.00 O ATOM 51 CB GLU A 4 1.809 1.956 -4.428 1.00 0.00 C ATOM 52 CG GLU A 4 2.298 0.594 -4.902 1.00 0.00 C ATOM 53 CD GLU A 4 1.194 -0.422 -5.001 1.00 0.00 C ATOM 54 OE1 GLU A 4 0.157 -0.203 -4.422 1.00 0.00 O ATOM 55 OE2 GLU A 4 1.389 -1.419 -5.656 1.00 0.00 O ATOM 56 H GLU A 4 3.507 1.991 -2.516 1.00 0.00 H ATOM 57 HA GLU A 4 3.494 3.005 -5.218 1.00 0.00 H ATOM 58 1HB GLU A 4 1.321 1.818 -3.463 1.00 0.00 H ATOM 59 2HB GLU A 4 1.051 2.302 -5.131 1.00 0.00 H ATOM 60 1HG GLU A 4 2.760 0.708 -5.882 1.00 0.00 H ATOM 61 2HG GLU A 4 3.058 0.232 -4.212 1.00 0.00 H ATOM 62 N VAL A 5 1.984 4.750 -2.884 1.00 0.00 N ATOM 63 CA VAL A 5 1.415 6.058 -2.580 1.00 0.00 C ATOM 64 C VAL A 5 2.400 7.175 -2.895 1.00 0.00 C ATOM 65 O VAL A 5 2.037 8.185 -3.498 1.00 0.00 O ATOM 66 CB VAL A 5 1.015 6.134 -1.094 1.00 0.00 C ATOM 67 CG1 VAL A 5 0.646 7.560 -0.715 1.00 0.00 C ATOM 68 CG2 VAL A 5 -0.143 5.186 -0.820 1.00 0.00 C ATOM 69 H VAL A 5 2.156 4.101 -2.130 1.00 0.00 H ATOM 70 HA VAL A 5 0.521 6.196 -3.191 1.00 0.00 H ATOM 71 HB VAL A 5 1.871 5.850 -0.482 1.00 0.00 H ATOM 72 1HG1 VAL A 5 0.366 7.596 0.339 1.00 0.00 H ATOM 73 2HG1 VAL A 5 1.501 8.215 -0.885 1.00 0.00 H ATOM 74 3HG1 VAL A 5 -0.194 7.893 -1.324 1.00 0.00 H ATOM 75 1HG2 VAL A 5 -0.420 5.245 0.232 1.00 0.00 H ATOM 76 2HG2 VAL A 5 -0.997 5.467 -1.437 1.00 0.00 H ATOM 77 3HG2 VAL A 5 0.158 4.166 -1.060 1.00 0.00 H ATOM 78 N GLU A 6 3.650 6.988 -2.484 1.00 0.00 N ATOM 79 CA GLU A 6 4.685 7.992 -2.697 1.00 0.00 C ATOM 80 C GLU A 6 4.969 8.183 -4.181 1.00 0.00 C ATOM 81 O GLU A 6 5.170 9.305 -4.646 1.00 0.00 O ATOM 82 CB GLU A 6 5.972 7.596 -1.969 1.00 0.00 C ATOM 83 CG GLU A 6 7.124 8.573 -2.152 1.00 0.00 C ATOM 84 CD GLU A 6 6.841 9.928 -1.565 1.00 0.00 C ATOM 85 OE1 GLU A 6 5.954 10.028 -0.752 1.00 0.00 O ATOM 86 OE2 GLU A 6 7.512 10.864 -1.931 1.00 0.00 O ATOM 87 H GLU A 6 3.889 6.128 -2.010 1.00 0.00 H ATOM 88 HA GLU A 6 4.339 8.940 -2.283 1.00 0.00 H ATOM 89 1HB GLU A 6 5.773 7.508 -0.901 1.00 0.00 H ATOM 90 2HB GLU A 6 6.303 6.619 -2.322 1.00 0.00 H ATOM 91 1HG GLU A 6 8.014 8.162 -1.675 1.00 0.00 H ATOM 92 2HG GLU A 6 7.332 8.679 -3.216 1.00 0.00 H ATOM 93 N LEU A 7 4.984 7.080 -4.922 1.00 0.00 N ATOM 94 CA LEU A 7 5.215 7.127 -6.361 1.00 0.00 C ATOM 95 C LEU A 7 4.093 7.871 -7.074 1.00 0.00 C ATOM 96 O LEU A 7 4.343 8.765 -7.882 1.00 0.00 O ATOM 97 CB LEU A 7 5.334 5.705 -6.925 1.00 0.00 C ATOM 98 CG LEU A 7 5.629 5.608 -8.428 1.00 0.00 C ATOM 99 CD1 LEU A 7 4.322 5.661 -9.207 1.00 0.00 C ATOM 100 CD2 LEU A 7 6.557 6.743 -8.837 1.00 0.00 C ATOM 101 H LEU A 7 4.834 6.187 -4.477 1.00 0.00 H ATOM 102 HA LEU A 7 6.154 7.650 -6.545 1.00 0.00 H ATOM 103 1HB LEU A 7 6.133 5.188 -6.397 1.00 0.00 H ATOM 104 2HB LEU A 7 4.400 5.177 -6.736 1.00 0.00 H ATOM 105 HG LEU A 7 6.107 4.652 -8.644 1.00 0.00 H ATOM 106 1HD1 LEU A 7 4.532 5.592 -10.274 1.00 0.00 H ATOM 107 2HD1 LEU A 7 3.686 4.828 -8.908 1.00 0.00 H ATOM 108 3HD1 LEU A 7 3.812 6.601 -8.998 1.00 0.00 H ATOM 109 1HD2 LEU A 7 6.767 6.673 -9.905 1.00 0.00 H ATOM 110 2HD2 LEU A 7 6.079 7.699 -8.623 1.00 0.00 H ATOM 111 3HD2 LEU A 7 7.490 6.670 -8.278 1.00 0.00 H ATOM 112 N LEU A 8 2.855 7.497 -6.770 1.00 0.00 N ATOM 113 CA LEU A 8 1.695 8.061 -7.450 1.00 0.00 C ATOM 114 C LEU A 8 1.516 9.534 -7.106 1.00 0.00 C ATOM 115 O LEU A 8 1.110 10.334 -7.948 1.00 0.00 O ATOM 116 CB LEU A 8 0.429 7.283 -7.071 1.00 0.00 C ATOM 117 CG LEU A 8 0.309 5.875 -7.666 1.00 0.00 C ATOM 118 CD1 LEU A 8 -0.849 5.140 -7.005 1.00 0.00 C ATOM 119 CD2 LEU A 8 0.106 5.975 -9.171 1.00 0.00 C ATOM 120 H LEU A 8 2.713 6.804 -6.049 1.00 0.00 H ATOM 121 HA LEU A 8 1.847 7.969 -8.526 1.00 0.00 H ATOM 122 1HB LEU A 8 0.391 7.188 -5.987 1.00 0.00 H ATOM 123 2HB LEU A 8 -0.441 7.855 -7.395 1.00 0.00 H ATOM 124 HG LEU A 8 1.221 5.314 -7.460 1.00 0.00 H ATOM 125 1HD1 LEU A 8 -0.934 4.139 -7.429 1.00 0.00 H ATOM 126 2HD1 LEU A 8 -0.668 5.065 -5.933 1.00 0.00 H ATOM 127 3HD1 LEU A 8 -1.774 5.687 -7.181 1.00 0.00 H ATOM 128 1HD2 LEU A 8 0.022 4.974 -9.594 1.00 0.00 H ATOM 129 2HD2 LEU A 8 -0.806 6.535 -9.378 1.00 0.00 H ATOM 130 3HD2 LEU A 8 0.957 6.489 -9.619 1.00 0.00 H ATOM 131 N LEU A 9 1.824 9.887 -5.862 1.00 0.00 N ATOM 132 CA LEU A 9 1.694 11.265 -5.403 1.00 0.00 C ATOM 133 C LEU A 9 2.660 12.184 -6.140 1.00 0.00 C ATOM 134 O LEU A 9 2.269 13.235 -6.647 1.00 0.00 O ATOM 135 CB LEU A 9 1.951 11.347 -3.893 1.00 0.00 C ATOM 136 CG LEU A 9 1.707 12.719 -3.251 1.00 0.00 C ATOM 137 CD1 LEU A 9 2.958 13.575 -3.389 1.00 0.00 C ATOM 138 CD2 LEU A 9 0.512 13.385 -3.915 1.00 0.00 C ATOM 139 H LEU A 9 2.156 9.182 -5.219 1.00 0.00 H ATOM 140 HA LEU A 9 0.676 11.600 -5.597 1.00 0.00 H ATOM 141 1HB LEU A 9 1.307 10.627 -3.392 1.00 0.00 H ATOM 142 2HB LEU A 9 2.988 11.072 -3.702 1.00 0.00 H ATOM 143 HG LEU A 9 1.506 12.591 -2.187 1.00 0.00 H ATOM 144 1HD1 LEU A 9 2.784 14.550 -2.932 1.00 0.00 H ATOM 145 2HD1 LEU A 9 3.792 13.084 -2.888 1.00 0.00 H ATOM 146 3HD1 LEU A 9 3.194 13.707 -4.444 1.00 0.00 H ATOM 147 1HD2 LEU A 9 0.337 14.359 -3.458 1.00 0.00 H ATOM 148 2HD2 LEU A 9 0.712 13.514 -4.979 1.00 0.00 H ATOM 149 3HD2 LEU A 9 -0.372 12.760 -3.786 1.00 0.00 H ATOM 150 N ARG A 10 3.926 11.781 -6.196 1.00 0.00 N ATOM 151 CA ARG A 10 4.952 12.572 -6.866 1.00 0.00 C ATOM 152 C ARG A 10 4.797 12.504 -8.380 1.00 0.00 C ATOM 153 O ARG A 10 5.119 13.456 -9.090 1.00 0.00 O ATOM 154 CB ARG A 10 6.341 12.085 -6.480 1.00 0.00 C ATOM 155 CG ARG A 10 6.676 12.214 -5.003 1.00 0.00 C ATOM 156 CD ARG A 10 6.644 13.629 -4.553 1.00 0.00 C ATOM 157 NE ARG A 10 6.884 13.750 -3.124 1.00 0.00 N ATOM 158 CZ ARG A 10 6.778 14.897 -2.425 1.00 0.00 C ATOM 159 NH1 ARG A 10 6.436 16.010 -3.036 1.00 0.00 N ATOM 160 NH2 ARG A 10 7.017 14.903 -1.125 1.00 0.00 N ATOM 161 H ARG A 10 4.183 10.907 -5.762 1.00 0.00 H ATOM 162 HA ARG A 10 4.850 13.610 -6.550 1.00 0.00 H ATOM 163 1HB ARG A 10 6.448 11.036 -6.752 1.00 0.00 H ATOM 164 2HB ARG A 10 7.091 12.646 -7.038 1.00 0.00 H ATOM 165 1HG ARG A 10 5.950 11.651 -4.415 1.00 0.00 H ATOM 166 2HG ARG A 10 7.676 11.818 -4.820 1.00 0.00 H ATOM 167 1HD ARG A 10 7.414 14.195 -5.077 1.00 0.00 H ATOM 168 2HD ARG A 10 5.667 14.058 -4.772 1.00 0.00 H ATOM 169 HE ARG A 10 7.149 12.915 -2.620 1.00 0.00 H ATOM 170 1HH1 ARG A 10 6.254 16.005 -4.029 1.00 0.00 H ATOM 171 2HH1 ARG A 10 6.357 16.869 -2.512 1.00 0.00 H ATOM 172 1HH2 ARG A 10 7.280 14.047 -0.656 1.00 0.00 H ATOM 173 2HH2 ARG A 10 6.938 15.762 -0.602 1.00 0.00 H ATOM 174 N LEU A 11 4.302 11.372 -8.869 1.00 0.00 N ATOM 175 CA LEU A 11 4.100 11.179 -10.299 1.00 0.00 C ATOM 176 C LEU A 11 2.971 12.060 -10.820 1.00 0.00 C ATOM 177 O LEU A 11 3.123 12.747 -11.830 1.00 0.00 O ATOM 178 CB LEU A 11 3.787 9.707 -10.596 1.00 0.00 C ATOM 179 CG LEU A 11 3.521 9.367 -12.068 1.00 0.00 C ATOM 180 CD1 LEU A 11 4.748 9.714 -12.900 1.00 0.00 C ATOM 181 CD2 LEU A 11 3.174 7.891 -12.194 1.00 0.00 C ATOM 182 H LEU A 11 4.058 10.626 -8.233 1.00 0.00 H ATOM 183 HA LEU A 11 5.021 11.447 -10.819 1.00 0.00 H ATOM 184 1HB LEU A 11 4.627 9.099 -10.263 1.00 0.00 H ATOM 185 2HB LEU A 11 2.905 9.417 -10.024 1.00 0.00 H ATOM 186 HG LEU A 11 2.688 9.968 -12.436 1.00 0.00 H ATOM 187 1HD1 LEU A 11 4.559 9.472 -13.946 1.00 0.00 H ATOM 188 2HD1 LEU A 11 4.961 10.779 -12.807 1.00 0.00 H ATOM 189 3HD1 LEU A 11 5.602 9.139 -12.544 1.00 0.00 H ATOM 190 1HD2 LEU A 11 2.984 7.649 -13.240 1.00 0.00 H ATOM 191 2HD2 LEU A 11 4.006 7.289 -11.828 1.00 0.00 H ATOM 192 3HD2 LEU A 11 2.283 7.675 -11.604 1.00 0.00 H ATOM 193 N ILE A 12 1.839 12.035 -10.126 1.00 0.00 N ATOM 194 CA ILE A 12 0.649 12.747 -10.574 1.00 0.00 C ATOM 195 C ILE A 12 0.859 14.255 -10.528 1.00 0.00 C ATOM 196 O ILE A 12 0.337 14.991 -11.365 1.00 0.00 O ATOM 197 CB ILE A 12 -0.572 12.372 -9.714 1.00 0.00 C ATOM 198 CG1 ILE A 12 -1.869 12.757 -10.431 1.00 0.00 C ATOM 199 CG2 ILE A 12 -0.492 13.046 -8.354 1.00 0.00 C ATOM 200 CD1 ILE A 12 -2.170 11.908 -11.645 1.00 0.00 C ATOM 201 H ILE A 12 1.802 11.509 -9.265 1.00 0.00 H ATOM 202 HA ILE A 12 0.438 12.455 -11.604 1.00 0.00 H ATOM 203 HB ILE A 12 -0.599 11.292 -9.573 1.00 0.00 H ATOM 204 1HG1 ILE A 12 -2.706 12.672 -9.739 1.00 0.00 H ATOM 205 2HG1 ILE A 12 -1.813 13.798 -10.750 1.00 0.00 H ATOM 206 1HG2 ILE A 12 -1.363 12.771 -7.759 1.00 0.00 H ATOM 207 2HG2 ILE A 12 0.413 12.725 -7.841 1.00 0.00 H ATOM 208 3HG2 ILE A 12 -0.470 14.128 -8.485 1.00 0.00 H ATOM 209 1HD1 ILE A 12 -3.104 12.241 -12.100 1.00 0.00 H ATOM 210 2HD1 ILE A 12 -1.360 12.006 -12.368 1.00 0.00 H ATOM 211 3HD1 ILE A 12 -2.266 10.865 -11.346 1.00 0.00 H ATOM 212 N LYS A 13 1.627 14.710 -9.543 1.00 0.00 N ATOM 213 CA LYS A 13 1.905 16.132 -9.384 1.00 0.00 C ATOM 214 C LYS A 13 2.898 16.621 -10.430 1.00 0.00 C ATOM 215 O LYS A 13 3.125 17.823 -10.570 1.00 0.00 O ATOM 216 CB LYS A 13 2.436 16.419 -7.979 1.00 0.00 C ATOM 217 CG LYS A 13 1.429 16.176 -6.863 1.00 0.00 C ATOM 218 CD LYS A 13 0.300 17.195 -6.907 1.00 0.00 C ATOM 219 CE LYS A 13 0.786 18.579 -6.501 1.00 0.00 C ATOM 220 NZ LYS A 13 -0.332 19.557 -6.408 1.00 0.00 N ATOM 221 H LYS A 13 2.029 14.053 -8.890 1.00 0.00 H ATOM 222 HA LYS A 13 0.971 16.683 -9.504 1.00 0.00 H ATOM 223 1HB LYS A 13 3.308 15.794 -7.785 1.00 0.00 H ATOM 224 2HB LYS A 13 2.759 17.459 -7.918 1.00 0.00 H ATOM 225 1HG LYS A 13 1.007 15.175 -6.965 1.00 0.00 H ATOM 226 2HG LYS A 13 1.931 16.244 -5.899 1.00 0.00 H ATOM 227 1HD LYS A 13 -0.108 17.244 -7.917 1.00 0.00 H ATOM 228 2HD LYS A 13 -0.495 16.887 -6.227 1.00 0.00 H ATOM 229 1HE LYS A 13 1.283 18.521 -5.534 1.00 0.00 H ATOM 230 2HE LYS A 13 1.508 18.940 -7.234 1.00 0.00 H ATOM 231 1HZ LYS A 13 0.031 20.460 -6.138 1.00 0.00 H ATOM 232 2HZ LYS A 13 -0.789 19.633 -7.306 1.00 0.00 H ATOM 233 3HZ LYS A 13 -0.998 19.242 -5.718 1.00 0.00 H ATOM 234 N ARG A 14 3.488 15.683 -11.163 1.00 0.00 N ATOM 235 CA ARG A 14 4.499 16.012 -12.160 1.00 0.00 C ATOM 236 C ARG A 14 3.859 16.375 -13.494 1.00 0.00 C ATOM 237 O ARG A 14 4.526 16.881 -14.396 1.00 0.00 O ATOM 238 CB ARG A 14 5.454 14.844 -12.361 1.00 0.00 C ATOM 239 CG ARG A 14 6.595 15.110 -13.330 1.00 0.00 C ATOM 240 CD ARG A 14 7.521 16.150 -12.815 1.00 0.00 C ATOM 241 NE ARG A 14 8.586 16.444 -13.761 1.00 0.00 N ATOM 242 CZ ARG A 14 8.469 17.286 -14.806 1.00 0.00 C ATOM 243 NH1 ARG A 14 7.332 17.908 -15.026 1.00 0.00 N ATOM 244 NH2 ARG A 14 9.498 17.487 -15.611 1.00 0.00 N ATOM 245 H ARG A 14 3.229 14.716 -11.025 1.00 0.00 H ATOM 246 HA ARG A 14 5.072 16.868 -11.803 1.00 0.00 H ATOM 247 1HB ARG A 14 5.892 14.565 -11.404 1.00 0.00 H ATOM 248 2HB ARG A 14 4.900 13.981 -12.731 1.00 0.00 H ATOM 249 1HG ARG A 14 7.162 14.192 -13.484 1.00 0.00 H ATOM 250 2HG ARG A 14 6.190 15.452 -14.283 1.00 0.00 H ATOM 251 1HD ARG A 14 6.968 17.070 -12.628 1.00 0.00 H ATOM 252 2HD ARG A 14 7.976 15.805 -11.887 1.00 0.00 H ATOM 253 HE ARG A 14 9.476 15.985 -13.625 1.00 0.00 H ATOM 254 1HH1 ARG A 14 6.545 17.755 -14.411 1.00 0.00 H ATOM 255 2HH1 ARG A 14 7.245 18.539 -15.809 1.00 0.00 H ATOM 256 1HH2 ARG A 14 10.373 17.009 -15.442 1.00 0.00 H ATOM 257 2HH2 ARG A 14 9.411 18.118 -16.394 1.00 0.00 H ATOM 258 N GLY A 15 2.561 16.112 -13.613 1.00 0.00 N ATOM 259 CA GLY A 15 1.846 16.339 -14.863 1.00 0.00 C ATOM 260 C GLY A 15 1.460 15.021 -15.523 1.00 0.00 C ATOM 261 O GLY A 15 0.985 15.000 -16.658 1.00 0.00 O ATOM 262 H GLY A 15 2.059 15.747 -12.816 1.00 0.00 H ATOM 263 1HA GLY A 15 0.950 16.927 -14.667 1.00 0.00 H ATOM 264 2HA GLY A 15 2.471 16.920 -15.539 1.00 0.00 H ATOM 265 N TRP A 16 1.669 13.923 -14.806 1.00 0.00 N ATOM 266 CA TRP A 16 1.261 12.607 -15.284 1.00 0.00 C ATOM 267 C TRP A 16 -0.255 12.491 -15.350 1.00 0.00 C ATOM 268 O TRP A 16 -0.959 12.873 -14.415 1.00 0.00 O ATOM 269 CB TRP A 16 1.821 11.511 -14.374 1.00 0.00 C ATOM 270 CG TRP A 16 1.312 10.141 -14.705 1.00 0.00 C ATOM 271 CD1 TRP A 16 1.508 9.457 -15.868 1.00 0.00 C ATOM 272 CD2 TRP A 16 0.516 9.275 -13.860 1.00 0.00 C ATOM 273 NE1 TRP A 16 0.891 8.232 -15.806 1.00 0.00 N ATOM 274 CE2 TRP A 16 0.281 8.103 -14.584 1.00 0.00 C ATOM 275 CE3 TRP A 16 -0.007 9.398 -12.567 1.00 0.00 C ATOM 276 CZ2 TRP A 16 -0.459 7.054 -14.061 1.00 0.00 C ATOM 277 CZ3 TRP A 16 -0.748 8.346 -12.042 1.00 0.00 C ATOM 278 CH2 TRP A 16 -0.967 7.204 -12.771 1.00 0.00 C ATOM 279 H TRP A 16 2.122 14.001 -13.907 1.00 0.00 H ATOM 280 HA TRP A 16 1.667 12.461 -16.285 1.00 0.00 H ATOM 281 1HB TRP A 16 2.908 11.499 -14.445 1.00 0.00 H ATOM 282 2HB TRP A 16 1.562 11.732 -13.339 1.00 0.00 H ATOM 283 HD1 TRP A 16 2.072 9.829 -16.721 1.00 0.00 H ATOM 284 HE1 TRP A 16 0.886 7.538 -16.540 1.00 0.00 H ATOM 285 HE3 TRP A 16 0.167 10.302 -11.983 1.00 0.00 H ATOM 286 HZ2 TRP A 16 -0.645 6.139 -14.624 1.00 0.00 H ATOM 287 HZ3 TRP A 16 -1.152 8.451 -11.035 1.00 0.00 H ATOM 288 HH2 TRP A 16 -1.553 6.398 -12.329 1.00 0.00 H ATOM 289 N GLU A 17 -0.755 11.961 -16.461 1.00 0.00 N ATOM 290 CA GLU A 17 -2.186 11.731 -16.624 1.00 0.00 C ATOM 291 C GLU A 17 -2.670 10.604 -15.720 1.00 0.00 C ATOM 292 O GLU A 17 -2.108 9.509 -15.721 1.00 0.00 O ATOM 293 CB GLU A 17 -2.511 11.402 -18.083 1.00 0.00 C ATOM 294 CG GLU A 17 -3.997 11.258 -18.379 1.00 0.00 C ATOM 295 CD GLU A 17 -4.283 11.018 -19.835 1.00 0.00 C ATOM 296 OE1 GLU A 17 -3.351 10.938 -20.598 1.00 0.00 O ATOM 297 OE2 GLU A 17 -5.435 10.915 -20.185 1.00 0.00 O ATOM 298 H GLU A 17 -0.128 11.710 -17.211 1.00 0.00 H ATOM 299 HA GLU A 17 -2.716 12.647 -16.357 1.00 0.00 H ATOM 300 1HB GLU A 17 -2.116 12.186 -18.729 1.00 0.00 H ATOM 301 2HB GLU A 17 -2.022 10.469 -18.363 1.00 0.00 H ATOM 302 1HG GLU A 17 -4.393 10.423 -17.800 1.00 0.00 H ATOM 303 2HG GLU A 17 -4.511 12.163 -18.057 1.00 0.00 H ATOM 304 N ILE A 18 -3.715 10.880 -14.948 1.00 0.00 N ATOM 305 CA ILE A 18 -4.218 9.924 -13.968 1.00 0.00 C ATOM 306 C ILE A 18 -4.760 8.674 -14.647 1.00 0.00 C ATOM 307 O ILE A 18 -5.438 8.755 -15.671 1.00 0.00 O ATOM 308 CB ILE A 18 -5.321 10.557 -13.100 1.00 0.00 C ATOM 309 CG1 ILE A 18 -5.509 9.756 -11.808 1.00 0.00 C ATOM 310 CG2 ILE A 18 -6.628 10.637 -13.875 1.00 0.00 C ATOM 311 CD1 ILE A 18 -6.309 10.481 -10.751 1.00 0.00 C ATOM 312 H ILE A 18 -4.175 11.775 -15.042 1.00 0.00 H ATOM 313 HA ILE A 18 -3.395 9.639 -13.311 1.00 0.00 H ATOM 314 HB ILE A 18 -5.022 11.562 -12.806 1.00 0.00 H ATOM 315 1HG1 ILE A 18 -6.013 8.816 -12.033 1.00 0.00 H ATOM 316 2HG1 ILE A 18 -4.534 9.510 -11.388 1.00 0.00 H ATOM 317 1HG2 ILE A 18 -7.397 11.085 -13.246 1.00 0.00 H ATOM 318 2HG2 ILE A 18 -6.485 11.247 -14.765 1.00 0.00 H ATOM 319 3HG2 ILE A 18 -6.939 9.634 -14.168 1.00 0.00 H ATOM 320 1HD1 ILE A 18 -6.399 9.851 -9.866 1.00 0.00 H ATOM 321 2HD1 ILE A 18 -5.803 11.410 -10.485 1.00 0.00 H ATOM 322 3HD1 ILE A 18 -7.302 10.707 -11.137 1.00 0.00 H ATOM 323 N GLU A 19 -4.456 7.516 -14.070 1.00 0.00 N ATOM 324 CA GLU A 19 -4.838 6.241 -14.665 1.00 0.00 C ATOM 325 C GLU A 19 -6.094 5.681 -14.009 1.00 0.00 C ATOM 326 O GLU A 19 -6.174 5.579 -12.785 1.00 0.00 O ATOM 327 CB GLU A 19 -3.695 5.231 -14.545 1.00 0.00 C ATOM 328 CG GLU A 19 -3.980 3.879 -15.182 1.00 0.00 C ATOM 329 CD GLU A 19 -2.823 2.924 -15.073 1.00 0.00 C ATOM 330 OE1 GLU A 19 -1.896 3.224 -14.360 1.00 0.00 O ATOM 331 OE2 GLU A 19 -2.867 1.895 -15.704 1.00 0.00 O ATOM 332 H GLU A 19 -3.948 7.519 -13.198 1.00 0.00 H ATOM 333 HA GLU A 19 -5.039 6.399 -15.726 1.00 0.00 H ATOM 334 1HB GLU A 19 -2.798 5.639 -15.012 1.00 0.00 H ATOM 335 2HB GLU A 19 -3.467 5.063 -13.492 1.00 0.00 H ATOM 336 1HG GLU A 19 -4.849 3.435 -14.696 1.00 0.00 H ATOM 337 2HG GLU A 19 -4.223 4.028 -16.233 1.00 0.00 H ATOM 338 N ARG A 20 -7.074 5.320 -14.830 1.00 0.00 N ATOM 339 CA ARG A 20 -8.304 4.714 -14.335 1.00 0.00 C ATOM 340 C ARG A 20 -8.600 3.402 -15.050 1.00 0.00 C ATOM 341 O ARG A 20 -8.647 3.351 -16.280 1.00 0.00 O ATOM 342 CB ARG A 20 -9.479 5.664 -14.519 1.00 0.00 C ATOM 343 CG ARG A 20 -9.410 6.934 -13.686 1.00 0.00 C ATOM 344 CD ARG A 20 -10.679 7.704 -13.753 1.00 0.00 C ATOM 345 NE ARG A 20 -10.656 8.865 -12.877 1.00 0.00 N ATOM 346 CZ ARG A 20 -10.244 10.093 -13.246 1.00 0.00 C ATOM 347 NH1 ARG A 20 -9.825 10.305 -14.474 1.00 0.00 N ATOM 348 NH2 ARG A 20 -10.262 11.086 -12.374 1.00 0.00 N ATOM 349 H ARG A 20 -6.962 5.467 -15.824 1.00 0.00 H ATOM 350 HA ARG A 20 -8.187 4.513 -13.270 1.00 0.00 H ATOM 351 1HB ARG A 20 -9.548 5.959 -15.565 1.00 0.00 H ATOM 352 2HB ARG A 20 -10.405 5.151 -14.262 1.00 0.00 H ATOM 353 1HG ARG A 20 -9.220 6.676 -12.644 1.00 0.00 H ATOM 354 2HG ARG A 20 -8.604 7.569 -14.056 1.00 0.00 H ATOM 355 1HD ARG A 20 -10.841 8.050 -14.773 1.00 0.00 H ATOM 356 2HD ARG A 20 -11.508 7.065 -13.451 1.00 0.00 H ATOM 357 HE ARG A 20 -10.971 8.741 -11.924 1.00 0.00 H ATOM 358 1HH1 ARG A 20 -9.812 9.546 -15.141 1.00 0.00 H ATOM 359 2HH1 ARG A 20 -9.517 11.226 -14.751 1.00 0.00 H ATOM 360 1HH2 ARG A 20 -10.584 10.923 -11.430 1.00 0.00 H ATOM 361 2HH2 ARG A 20 -9.953 12.006 -12.650 1.00 0.00 H ATOM 362 N ILE A 21 -8.799 2.343 -14.274 1.00 0.00 N ATOM 363 CA ILE A 21 -9.117 1.033 -14.831 1.00 0.00 C ATOM 364 C ILE A 21 -10.518 0.590 -14.431 1.00 0.00 C ATOM 365 O ILE A 21 -10.749 0.186 -13.291 1.00 0.00 O ATOM 366 CB ILE A 21 -8.094 -0.022 -14.372 1.00 0.00 C ATOM 367 CG1 ILE A 21 -6.680 0.386 -14.794 1.00 0.00 C ATOM 368 CG2 ILE A 21 -8.448 -1.388 -14.940 1.00 0.00 C ATOM 369 CD1 ILE A 21 -5.590 -0.459 -14.175 1.00 0.00 C ATOM 370 H ILE A 21 -8.728 2.447 -13.272 1.00 0.00 H ATOM 371 HA ILE A 21 -9.084 1.103 -15.918 1.00 0.00 H ATOM 372 HB ILE A 21 -8.094 -0.080 -13.284 1.00 0.00 H ATOM 373 1HG1 ILE A 21 -6.590 0.319 -15.878 1.00 0.00 H ATOM 374 2HG1 ILE A 21 -6.503 1.426 -14.516 1.00 0.00 H ATOM 375 1HG2 ILE A 21 -7.715 -2.122 -14.606 1.00 0.00 H ATOM 376 2HG2 ILE A 21 -9.438 -1.681 -14.592 1.00 0.00 H ATOM 377 3HG2 ILE A 21 -8.446 -1.341 -16.029 1.00 0.00 H ATOM 378 1HD1 ILE A 21 -4.617 -0.109 -14.521 1.00 0.00 H ATOM 379 2HD1 ILE A 21 -5.640 -0.378 -13.089 1.00 0.00 H ATOM 380 3HD1 ILE A 21 -5.726 -1.499 -14.469 1.00 0.00 H ATOM 381 N GLY A 22 -11.449 0.667 -15.376 1.00 0.00 N ATOM 382 CA GLY A 22 -12.852 0.391 -15.091 1.00 0.00 C ATOM 383 C GLY A 22 -13.536 1.600 -14.464 1.00 0.00 C ATOM 384 O GLY A 22 -14.704 1.536 -14.083 1.00 0.00 O ATOM 385 H GLY A 22 -11.179 0.922 -16.314 1.00 0.00 H ATOM 386 1HA GLY A 22 -13.363 0.117 -16.014 1.00 0.00 H ATOM 387 2HA GLY A 22 -12.926 -0.462 -14.418 1.00 0.00 H ATOM 388 N GLY A 23 -12.800 2.701 -14.360 1.00 0.00 N ATOM 389 CA GLY A 23 -13.331 3.924 -13.773 1.00 0.00 C ATOM 390 C GLY A 23 -13.214 3.902 -12.254 1.00 0.00 C ATOM 391 O GLY A 23 -12.685 4.834 -11.649 1.00 0.00 O ATOM 392 H GLY A 23 -11.847 2.690 -14.698 1.00 0.00 H ATOM 393 1HA GLY A 23 -12.791 4.784 -14.171 1.00 0.00 H ATOM 394 2HA GLY A 23 -14.376 4.041 -14.059 1.00 0.00 H ATOM 395 N GLU A 24 -13.711 2.833 -11.644 1.00 0.00 N ATOM 396 CA GLU A 24 -13.715 2.713 -10.190 1.00 0.00 C ATOM 397 C GLU A 24 -12.301 2.773 -9.629 1.00 0.00 C ATOM 398 O GLU A 24 -12.046 3.451 -8.633 1.00 0.00 O ATOM 399 CB GLU A 24 -14.387 1.407 -9.764 1.00 0.00 C ATOM 400 CG GLU A 24 -14.466 1.202 -8.257 1.00 0.00 C ATOM 401 CD GLU A 24 -15.195 -0.055 -7.875 1.00 0.00 C ATOM 402 OE1 GLU A 24 -15.640 -0.752 -8.754 1.00 0.00 O ATOM 403 OE2 GLU A 24 -15.307 -0.320 -6.701 1.00 0.00 O ATOM 404 H GLU A 24 -14.095 2.082 -12.200 1.00 0.00 H ATOM 405 HA GLU A 24 -14.291 3.542 -9.777 1.00 0.00 H ATOM 406 1HB GLU A 24 -15.403 1.374 -10.159 1.00 0.00 H ATOM 407 2HB GLU A 24 -13.844 0.562 -10.188 1.00 0.00 H ATOM 408 1HG GLU A 24 -13.454 1.159 -7.854 1.00 0.00 H ATOM 409 2HG GLU A 24 -14.969 2.059 -7.811 1.00 0.00 H ATOM 410 N ASP A 25 -11.382 2.060 -10.273 1.00 0.00 N ATOM 411 CA ASP A 25 -10.022 1.925 -9.765 1.00 0.00 C ATOM 412 C ASP A 25 -9.132 3.054 -10.267 1.00 0.00 C ATOM 413 O ASP A 25 -8.638 3.014 -11.394 1.00 0.00 O ATOM 414 CB ASP A 25 -9.427 0.576 -10.178 1.00 0.00 C ATOM 415 CG ASP A 25 -8.047 0.331 -9.584 1.00 0.00 C ATOM 416 OD1 ASP A 25 -7.483 1.252 -9.041 1.00 0.00 O ATOM 417 OD2 ASP A 25 -7.570 -0.774 -9.678 1.00 0.00 O ATOM 418 H ASP A 25 -11.633 1.600 -11.136 1.00 0.00 H ATOM 419 HA ASP A 25 -10.054 1.963 -8.675 1.00 0.00 H ATOM 420 1HB ASP A 25 -10.092 -0.227 -9.860 1.00 0.00 H ATOM 421 2HB ASP A 25 -9.353 0.529 -11.265 1.00 0.00 H ATOM 422 N THR A 26 -8.930 4.062 -9.425 1.00 0.00 N ATOM 423 CA THR A 26 -8.198 5.258 -9.822 1.00 0.00 C ATOM 424 C THR A 26 -6.871 5.362 -9.082 1.00 0.00 C ATOM 425 O THR A 26 -6.828 5.304 -7.852 1.00 0.00 O ATOM 426 CB THR A 26 -9.032 6.528 -9.570 1.00 0.00 C ATOM 427 OG1 THR A 26 -10.260 6.449 -10.305 1.00 0.00 O ATOM 428 CG2 THR A 26 -8.263 7.766 -10.004 1.00 0.00 C ATOM 429 H THR A 26 -9.295 3.997 -8.485 1.00 0.00 H ATOM 430 HA THR A 26 -7.997 5.202 -10.892 1.00 0.00 H ATOM 431 HB THR A 26 -9.264 6.605 -8.508 1.00 0.00 H ATOM 432 HG1 THR A 26 -10.847 5.818 -9.881 1.00 0.00 H ATOM 433 1HG2 THR A 26 -8.868 8.653 -9.819 1.00 0.00 H ATOM 434 2HG2 THR A 26 -7.334 7.834 -9.439 1.00 0.00 H ATOM 435 3HG2 THR A 26 -8.036 7.698 -11.068 1.00 0.00 H ATOM 436 N GLN A 27 -5.788 5.517 -9.836 1.00 0.00 N ATOM 437 CA GLN A 27 -4.459 5.644 -9.252 1.00 0.00 C ATOM 438 C GLN A 27 -3.858 7.015 -9.541 1.00 0.00 C ATOM 439 O GLN A 27 -3.734 7.417 -10.699 1.00 0.00 O ATOM 440 CB GLN A 27 -3.534 4.545 -9.782 1.00 0.00 C ATOM 441 CG GLN A 27 -4.002 3.134 -9.472 1.00 0.00 C ATOM 442 CD GLN A 27 -4.090 2.868 -7.981 1.00 0.00 C ATOM 443 OE1 GLN A 27 -3.226 3.292 -7.209 1.00 0.00 O ATOM 444 NE2 GLN A 27 -5.137 2.163 -7.568 1.00 0.00 N ATOM 445 H GLN A 27 -5.890 5.548 -10.841 1.00 0.00 H ATOM 446 HA GLN A 27 -4.542 5.521 -8.172 1.00 0.00 H ATOM 447 1HB GLN A 27 -3.441 4.639 -10.864 1.00 0.00 H ATOM 448 2HB GLN A 27 -2.539 4.671 -9.356 1.00 0.00 H ATOM 449 1HG GLN A 27 -4.992 2.987 -9.905 1.00 0.00 H ATOM 450 2HG GLN A 27 -3.297 2.425 -9.905 1.00 0.00 H ATOM 451 1HE2 GLN A 27 -5.249 1.956 -6.595 1.00 0.00 H ATOM 452 2HE2 GLN A 27 -5.815 1.838 -8.228 1.00 0.00 H ATOM 453 N GLY A 28 -3.487 7.727 -8.484 1.00 0.00 N ATOM 454 CA GLY A 28 -2.963 9.081 -8.619 1.00 0.00 C ATOM 455 C GLY A 28 -3.898 10.100 -7.980 1.00 0.00 C ATOM 456 O GLY A 28 -3.556 11.276 -7.853 1.00 0.00 O ATOM 457 H GLY A 28 -3.570 7.321 -7.563 1.00 0.00 H ATOM 458 1HA GLY A 28 -1.980 9.139 -8.150 1.00 0.00 H ATOM 459 2HA GLY A 28 -2.829 9.316 -9.674 1.00 0.00 H ATOM 460 N LEU A 29 -5.079 9.642 -7.580 1.00 0.00 N ATOM 461 CA LEU A 29 -6.058 10.509 -6.934 1.00 0.00 C ATOM 462 C LEU A 29 -5.721 10.722 -5.465 1.00 0.00 C ATOM 463 O LEU A 29 -5.283 9.798 -4.778 1.00 0.00 O ATOM 464 CB LEU A 29 -7.463 9.907 -7.061 1.00 0.00 C ATOM 465 CG LEU A 29 -8.624 10.853 -6.731 1.00 0.00 C ATOM 466 CD1 LEU A 29 -8.672 11.976 -7.758 1.00 0.00 C ATOM 467 CD2 LEU A 29 -9.929 10.070 -6.716 1.00 0.00 C ATOM 468 H LEU A 29 -5.305 8.669 -7.727 1.00 0.00 H ATOM 469 HA LEU A 29 -6.050 11.476 -7.439 1.00 0.00 H ATOM 470 1HB LEU A 29 -7.600 9.558 -8.084 1.00 0.00 H ATOM 471 2HB LEU A 29 -7.535 9.048 -6.394 1.00 0.00 H ATOM 472 HG LEU A 29 -8.460 11.303 -5.752 1.00 0.00 H ATOM 473 1HD1 LEU A 29 -9.497 12.649 -7.523 1.00 0.00 H ATOM 474 2HD1 LEU A 29 -7.735 12.532 -7.734 1.00 0.00 H ATOM 475 3HD1 LEU A 29 -8.820 11.555 -8.751 1.00 0.00 H ATOM 476 1HD2 LEU A 29 -10.754 10.742 -6.480 1.00 0.00 H ATOM 477 2HD2 LEU A 29 -10.095 9.621 -7.695 1.00 0.00 H ATOM 478 3HD2 LEU A 29 -9.873 9.285 -5.961 1.00 0.00 H ATOM 479 N GLU A 30 -5.928 11.944 -4.986 1.00 0.00 N ATOM 480 CA GLU A 30 -5.595 12.294 -3.611 1.00 0.00 C ATOM 481 C GLU A 30 -6.388 11.453 -2.619 1.00 0.00 C ATOM 482 O GLU A 30 -5.867 11.041 -1.583 1.00 0.00 O ATOM 483 CB GLU A 30 -5.860 13.781 -3.361 1.00 0.00 C ATOM 484 CG GLU A 30 -4.912 14.720 -4.094 1.00 0.00 C ATOM 485 CD GLU A 30 -5.438 15.155 -5.433 1.00 0.00 C ATOM 486 OE1 GLU A 30 -6.553 14.816 -5.750 1.00 0.00 O ATOM 487 OE2 GLU A 30 -4.725 15.826 -6.140 1.00 0.00 O ATOM 488 H GLU A 30 -6.327 12.647 -5.590 1.00 0.00 H ATOM 489 HA GLU A 30 -4.531 12.109 -3.454 1.00 0.00 H ATOM 490 1HB GLU A 30 -6.877 14.026 -3.668 1.00 0.00 H ATOM 491 2HB GLU A 30 -5.780 13.990 -2.295 1.00 0.00 H ATOM 492 1HG GLU A 30 -4.745 15.603 -3.478 1.00 0.00 H ATOM 493 2HG GLU A 30 -3.954 14.219 -4.230 1.00 0.00 H ATOM 494 N GLU A 31 -7.652 11.201 -2.943 1.00 0.00 N ATOM 495 CA GLU A 31 -8.525 10.422 -2.073 1.00 0.00 C ATOM 496 C GLU A 31 -8.028 8.989 -1.936 1.00 0.00 C ATOM 497 O GLU A 31 -8.092 8.400 -0.856 1.00 0.00 O ATOM 498 CB GLU A 31 -9.957 10.425 -2.613 1.00 0.00 C ATOM 499 CG GLU A 31 -10.639 11.785 -2.577 1.00 0.00 C ATOM 500 CD GLU A 31 -12.010 11.769 -3.195 1.00 0.00 C ATOM 501 OE1 GLU A 31 -12.383 10.758 -3.741 1.00 0.00 O ATOM 502 OE2 GLU A 31 -12.685 12.768 -3.121 1.00 0.00 O ATOM 503 H GLU A 31 -8.017 11.560 -3.814 1.00 0.00 H ATOM 504 HA GLU A 31 -8.534 10.886 -1.087 1.00 0.00 H ATOM 505 1HB GLU A 31 -9.958 10.077 -3.646 1.00 0.00 H ATOM 506 2HB GLU A 31 -10.566 9.730 -2.034 1.00 0.00 H ATOM 507 1HG GLU A 31 -10.725 12.110 -1.541 1.00 0.00 H ATOM 508 2HG GLU A 31 -10.017 12.506 -3.106 1.00 0.00 H ATOM 509 N VAL A 32 -7.533 8.431 -3.036 1.00 0.00 N ATOM 510 CA VAL A 32 -7.089 7.043 -3.058 1.00 0.00 C ATOM 511 C VAL A 32 -5.739 6.886 -2.368 1.00 0.00 C ATOM 512 O VAL A 32 -5.537 5.961 -1.581 1.00 0.00 O ATOM 513 CB VAL A 32 -6.983 6.538 -4.509 1.00 0.00 C ATOM 514 CG1 VAL A 32 -6.346 5.157 -4.548 1.00 0.00 C ATOM 515 CG2 VAL A 32 -8.362 6.515 -5.151 1.00 0.00 C ATOM 516 H VAL A 32 -7.462 8.984 -3.878 1.00 0.00 H ATOM 517 HA VAL A 32 -7.824 6.435 -2.528 1.00 0.00 H ATOM 518 HB VAL A 32 -6.331 7.208 -5.070 1.00 0.00 H ATOM 519 1HG1 VAL A 32 -6.279 4.816 -5.581 1.00 0.00 H ATOM 520 2HG1 VAL A 32 -5.347 5.205 -4.116 1.00 0.00 H ATOM 521 3HG1 VAL A 32 -6.957 4.459 -3.975 1.00 0.00 H ATOM 522 1HG2 VAL A 32 -8.279 6.158 -6.177 1.00 0.00 H ATOM 523 2HG2 VAL A 32 -9.015 5.849 -4.586 1.00 0.00 H ATOM 524 3HG2 VAL A 32 -8.781 7.521 -5.150 1.00 0.00 H ATOM 525 N LEU A 33 -4.817 7.793 -2.671 1.00 0.00 N ATOM 526 CA LEU A 33 -3.488 7.764 -2.073 1.00 0.00 C ATOM 527 C LEU A 33 -3.563 7.903 -0.557 1.00 0.00 C ATOM 528 O LEU A 33 -2.796 7.274 0.171 1.00 0.00 O ATOM 529 CB LEU A 33 -2.620 8.887 -2.654 1.00 0.00 C ATOM 530 CG LEU A 33 -1.841 8.535 -3.927 1.00 0.00 C ATOM 531 CD1 LEU A 33 -2.680 7.608 -4.797 1.00 0.00 C ATOM 532 CD2 LEU A 33 -1.485 9.812 -4.674 1.00 0.00 C ATOM 533 H LEU A 33 -5.043 8.522 -3.332 1.00 0.00 H ATOM 534 HA LEU A 33 -3.020 6.808 -2.313 1.00 0.00 H ATOM 535 1HB LEU A 33 -3.260 9.738 -2.882 1.00 0.00 H ATOM 536 2HB LEU A 33 -1.898 9.195 -1.898 1.00 0.00 H ATOM 537 HG LEU A 33 -0.927 8.004 -3.660 1.00 0.00 H ATOM 538 1HD1 LEU A 33 -2.126 7.358 -5.702 1.00 0.00 H ATOM 539 2HD1 LEU A 33 -2.904 6.695 -4.245 1.00 0.00 H ATOM 540 3HD1 LEU A 33 -3.610 8.107 -5.067 1.00 0.00 H ATOM 541 1HD2 LEU A 33 -0.930 9.562 -5.579 1.00 0.00 H ATOM 542 2HD2 LEU A 33 -2.398 10.343 -4.943 1.00 0.00 H ATOM 543 3HD2 LEU A 33 -0.870 10.447 -4.036 1.00 0.00 H ATOM 544 N THR A 34 -4.492 8.730 -0.089 1.00 0.00 N ATOM 545 CA THR A 34 -4.690 8.928 1.341 1.00 0.00 C ATOM 546 C THR A 34 -5.121 7.634 2.021 1.00 0.00 C ATOM 547 O THR A 34 -4.567 7.248 3.050 1.00 0.00 O ATOM 548 CB THR A 34 -5.735 10.027 1.609 1.00 0.00 C ATOM 549 OG1 THR A 34 -5.261 11.277 1.090 1.00 0.00 O ATOM 550 CG2 THR A 34 -5.992 10.166 3.101 1.00 0.00 C ATOM 551 H THR A 34 -5.073 9.235 -0.742 1.00 0.00 H ATOM 552 HA THR A 34 -3.748 9.256 1.780 1.00 0.00 H ATOM 553 HB THR A 34 -6.668 9.771 1.107 1.00 0.00 H ATOM 554 HG1 THR A 34 -5.336 11.274 0.133 1.00 0.00 H ATOM 555 1HG2 THR A 34 -6.733 10.947 3.272 1.00 0.00 H ATOM 556 2HG2 THR A 34 -6.363 9.221 3.496 1.00 0.00 H ATOM 557 3HG2 THR A 34 -5.064 10.431 3.607 1.00 0.00 H ATOM 558 N GLU A 35 -6.113 6.968 1.440 1.00 0.00 N ATOM 559 CA GLU A 35 -6.648 5.739 2.012 1.00 0.00 C ATOM 560 C GLU A 35 -5.612 4.622 1.988 1.00 0.00 C ATOM 561 O GLU A 35 -5.496 3.851 2.940 1.00 0.00 O ATOM 562 CB GLU A 35 -7.903 5.299 1.253 1.00 0.00 C ATOM 563 CG GLU A 35 -8.561 4.041 1.801 1.00 0.00 C ATOM 564 CD GLU A 35 -9.075 4.214 3.203 1.00 0.00 C ATOM 565 OE1 GLU A 35 -9.261 5.334 3.614 1.00 0.00 O ATOM 566 OE2 GLU A 35 -9.282 3.224 3.864 1.00 0.00 O ATOM 567 H GLU A 35 -6.505 7.323 0.579 1.00 0.00 H ATOM 568 HA GLU A 35 -6.930 5.933 3.047 1.00 0.00 H ATOM 569 1HB GLU A 35 -8.641 6.101 1.276 1.00 0.00 H ATOM 570 2HB GLU A 35 -7.650 5.117 0.208 1.00 0.00 H ATOM 571 1HG GLU A 35 -9.393 3.767 1.152 1.00 0.00 H ATOM 572 2HG GLU A 35 -7.837 3.228 1.782 1.00 0.00 H ATOM 573 N LEU A 36 -4.860 4.543 0.896 1.00 0.00 N ATOM 574 CA LEU A 36 -3.843 3.511 0.740 1.00 0.00 C ATOM 575 C LEU A 36 -2.764 3.634 1.809 1.00 0.00 C ATOM 576 O LEU A 36 -2.277 2.631 2.331 1.00 0.00 O ATOM 577 CB LEU A 36 -3.204 3.601 -0.652 1.00 0.00 C ATOM 578 CG LEU A 36 -4.094 3.159 -1.821 1.00 0.00 C ATOM 579 CD1 LEU A 36 -3.411 3.504 -3.137 1.00 0.00 C ATOM 580 CD2 LEU A 36 -4.361 1.665 -1.719 1.00 0.00 C ATOM 581 H LEU A 36 -4.997 5.215 0.154 1.00 0.00 H ATOM 582 HA LEU A 36 -4.321 2.535 0.838 1.00 0.00 H ATOM 583 1HB LEU A 36 -2.909 4.633 -0.832 1.00 0.00 H ATOM 584 2HB LEU A 36 -2.308 2.980 -0.664 1.00 0.00 H ATOM 585 HG LEU A 36 -5.039 3.701 -1.784 1.00 0.00 H ATOM 586 1HD1 LEU A 36 -4.043 3.191 -3.968 1.00 0.00 H ATOM 587 2HD1 LEU A 36 -3.249 4.581 -3.192 1.00 0.00 H ATOM 588 3HD1 LEU A 36 -2.453 2.989 -3.196 1.00 0.00 H ATOM 589 1HD2 LEU A 36 -4.994 1.351 -2.550 1.00 0.00 H ATOM 590 2HD2 LEU A 36 -3.417 1.122 -1.758 1.00 0.00 H ATOM 591 3HD2 LEU A 36 -4.866 1.449 -0.777 1.00 0.00 H ATOM 592 N LEU A 37 -2.395 4.869 2.129 1.00 0.00 N ATOM 593 CA LEU A 37 -1.338 5.125 3.100 1.00 0.00 C ATOM 594 C LEU A 37 -1.802 4.815 4.516 1.00 0.00 C ATOM 595 O LEU A 37 -1.047 4.272 5.324 1.00 0.00 O ATOM 596 CB LEU A 37 -0.881 6.586 3.014 1.00 0.00 C ATOM 597 CG LEU A 37 0.388 6.935 3.803 1.00 0.00 C ATOM 598 CD1 LEU A 37 1.532 6.040 3.346 1.00 0.00 C ATOM 599 CD2 LEU A 37 0.726 8.404 3.598 1.00 0.00 C ATOM 600 H LEU A 37 -2.858 5.652 1.689 1.00 0.00 H ATOM 601 HA LEU A 37 -0.487 4.483 2.862 1.00 0.00 H ATOM 602 1HB LEU A 37 -0.698 6.832 1.969 1.00 0.00 H ATOM 603 2HB LEU A 37 -1.685 7.224 3.380 1.00 0.00 H ATOM 604 HG LEU A 37 0.220 6.745 4.864 1.00 0.00 H ATOM 605 1HD1 LEU A 37 2.434 6.288 3.907 1.00 0.00 H ATOM 606 2HD1 LEU A 37 1.271 4.997 3.522 1.00 0.00 H ATOM 607 3HD1 LEU A 37 1.713 6.196 2.283 1.00 0.00 H ATOM 608 1HD2 LEU A 37 1.627 8.651 4.160 1.00 0.00 H ATOM 609 2HD2 LEU A 37 0.896 8.594 2.538 1.00 0.00 H ATOM 610 3HD2 LEU A 37 -0.102 9.020 3.949 1.00 0.00 H ATOM 611 N ARG A 38 -3.050 5.162 4.813 1.00 0.00 N ATOM 612 CA ARG A 38 -3.631 4.889 6.122 1.00 0.00 C ATOM 613 C ARG A 38 -3.727 3.390 6.381 1.00 0.00 C ATOM 614 O ARG A 38 -3.459 2.924 7.488 1.00 0.00 O ATOM 615 CB ARG A 38 -5.016 5.509 6.232 1.00 0.00 C ATOM 616 CG ARG A 38 -5.030 7.025 6.346 1.00 0.00 C ATOM 617 CD ARG A 38 -6.414 7.565 6.324 1.00 0.00 C ATOM 618 NE ARG A 38 -6.434 9.013 6.444 1.00 0.00 N ATOM 619 CZ ARG A 38 -7.546 9.771 6.381 1.00 0.00 C ATOM 620 NH1 ARG A 38 -8.718 9.205 6.198 1.00 0.00 N ATOM 621 NH2 ARG A 38 -7.458 11.085 6.502 1.00 0.00 N ATOM 622 H ARG A 38 -3.611 5.627 4.113 1.00 0.00 H ATOM 623 HA ARG A 38 -2.991 5.335 6.885 1.00 0.00 H ATOM 624 1HB ARG A 38 -5.606 5.239 5.358 1.00 0.00 H ATOM 625 2HB ARG A 38 -5.526 5.108 7.108 1.00 0.00 H ATOM 626 1HG ARG A 38 -4.561 7.324 7.284 1.00 0.00 H ATOM 627 2HG ARG A 38 -4.480 7.459 5.511 1.00 0.00 H ATOM 628 1HD ARG A 38 -6.895 7.294 5.384 1.00 0.00 H ATOM 629 2HD ARG A 38 -6.981 7.146 7.154 1.00 0.00 H ATOM 630 HE ARG A 38 -5.551 9.485 6.586 1.00 0.00 H ATOM 631 1HH1 ARG A 38 -8.785 8.201 6.106 1.00 0.00 H ATOM 632 2HH1 ARG A 38 -9.551 9.773 6.151 1.00 0.00 H ATOM 633 1HH2 ARG A 38 -6.557 11.520 6.643 1.00 0.00 H ATOM 634 2HH2 ARG A 38 -8.291 11.652 6.455 1.00 0.00 H ATOM 635 N ARG A 39 -4.109 2.641 5.353 1.00 0.00 N ATOM 636 CA ARG A 39 -4.304 1.202 5.485 1.00 0.00 C ATOM 637 C ARG A 39 -2.996 0.497 5.816 1.00 0.00 C ATOM 638 O ARG A 39 -2.941 -0.339 6.719 1.00 0.00 O ATOM 639 CB ARG A 39 -4.879 0.619 4.202 1.00 0.00 C ATOM 640 CG ARG A 39 -6.352 0.917 3.968 1.00 0.00 C ATOM 641 CD ARG A 39 -6.815 0.398 2.656 1.00 0.00 C ATOM 642 NE ARG A 39 -8.235 0.633 2.451 1.00 0.00 N ATOM 643 CZ ARG A 39 -8.961 0.104 1.446 1.00 0.00 C ATOM 644 NH1 ARG A 39 -8.387 -0.686 0.566 1.00 0.00 N ATOM 645 NH2 ARG A 39 -10.250 0.379 1.346 1.00 0.00 N ATOM 646 H ARG A 39 -4.268 3.079 4.457 1.00 0.00 H ATOM 647 HA ARG A 39 -5.013 1.022 6.293 1.00 0.00 H ATOM 648 1HB ARG A 39 -4.325 1.004 3.348 1.00 0.00 H ATOM 649 2HB ARG A 39 -4.759 -0.464 4.209 1.00 0.00 H ATOM 650 1HG ARG A 39 -6.947 0.449 4.752 1.00 0.00 H ATOM 651 2HG ARG A 39 -6.512 1.996 3.986 1.00 0.00 H ATOM 652 1HD ARG A 39 -6.268 0.893 1.855 1.00 0.00 H ATOM 653 2HD ARG A 39 -6.637 -0.676 2.607 1.00 0.00 H ATOM 654 HE ARG A 39 -8.712 1.236 3.108 1.00 0.00 H ATOM 655 1HH1 ARG A 39 -7.402 -0.897 0.643 1.00 0.00 H ATOM 656 2HH1 ARG A 39 -8.931 -1.082 -0.187 1.00 0.00 H ATOM 657 1HH2 ARG A 39 -10.691 0.987 2.023 1.00 0.00 H ATOM 658 2HH2 ARG A 39 -10.793 -0.017 0.594 1.00 0.00 H ATOM 659 N ILE A 40 -1.942 0.838 5.082 1.00 0.00 N ATOM 660 CA ILE A 40 -0.663 0.151 5.210 1.00 0.00 C ATOM 661 C ILE A 40 0.023 0.505 6.524 1.00 0.00 C ATOM 662 O ILE A 40 0.725 -0.317 7.111 1.00 0.00 O ATOM 663 CB ILE A 40 0.267 0.498 4.034 1.00 0.00 C ATOM 664 CG1 ILE A 40 1.415 -0.511 3.945 1.00 0.00 C ATOM 665 CG2 ILE A 40 0.808 1.912 4.183 1.00 0.00 C ATOM 666 CD1 ILE A 40 0.971 -1.911 3.587 1.00 0.00 C ATOM 667 H ILE A 40 -2.031 1.592 4.416 1.00 0.00 H ATOM 668 HA ILE A 40 -0.844 -0.924 5.191 1.00 0.00 H ATOM 669 HB ILE A 40 -0.287 0.428 3.099 1.00 0.00 H ATOM 670 1HG1 ILE A 40 2.134 -0.179 3.197 1.00 0.00 H ATOM 671 2HG1 ILE A 40 1.937 -0.555 4.901 1.00 0.00 H ATOM 672 1HG2 ILE A 40 1.464 2.141 3.344 1.00 0.00 H ATOM 673 2HG2 ILE A 40 -0.021 2.618 4.198 1.00 0.00 H ATOM 674 3HG2 ILE A 40 1.369 1.991 5.114 1.00 0.00 H ATOM 675 1HD1 ILE A 40 1.839 -2.569 3.543 1.00 0.00 H ATOM 676 2HD1 ILE A 40 0.276 -2.277 4.343 1.00 0.00 H ATOM 677 3HD1 ILE A 40 0.477 -1.898 2.616 1.00 0.00 H ATOM 678 N ARG A 41 -0.186 1.736 6.981 1.00 0.00 N ATOM 679 CA ARG A 41 0.405 2.200 8.230 1.00 0.00 C ATOM 680 C ARG A 41 -0.346 1.646 9.434 1.00 0.00 C ATOM 681 O ARG A 41 0.249 1.372 10.477 1.00 0.00 O ATOM 682 CB ARG A 41 0.405 3.720 8.291 1.00 0.00 C ATOM 683 CG ARG A 41 1.426 4.397 7.390 1.00 0.00 C ATOM 684 CD ARG A 41 1.385 5.875 7.528 1.00 0.00 C ATOM 685 NE ARG A 41 2.473 6.517 6.806 1.00 0.00 N ATOM 686 CZ ARG A 41 2.679 7.847 6.758 1.00 0.00 C ATOM 687 NH1 ARG A 41 1.865 8.662 7.392 1.00 0.00 N ATOM 688 NH2 ARG A 41 3.699 8.334 6.072 1.00 0.00 N ATOM 689 H ARG A 41 -0.770 2.366 6.449 1.00 0.00 H ATOM 690 HA ARG A 41 1.439 1.854 8.273 1.00 0.00 H ATOM 691 1HB ARG A 41 -0.579 4.095 8.013 1.00 0.00 H ATOM 692 2HB ARG A 41 0.601 4.044 9.313 1.00 0.00 H ATOM 693 1HG ARG A 41 2.427 4.055 7.654 1.00 0.00 H ATOM 694 2HG ARG A 41 1.218 4.143 6.350 1.00 0.00 H ATOM 695 1HD ARG A 41 0.444 6.252 7.130 1.00 0.00 H ATOM 696 2HD ARG A 41 1.469 6.145 8.580 1.00 0.00 H ATOM 697 HE ARG A 41 3.120 5.922 6.305 1.00 0.00 H ATOM 698 1HH1 ARG A 41 1.085 8.290 7.916 1.00 0.00 H ATOM 699 2HH1 ARG A 41 2.019 9.659 7.356 1.00 0.00 H ATOM 700 1HH2 ARG A 41 4.324 7.707 5.584 1.00 0.00 H ATOM 701 2HH2 ARG A 41 3.853 9.330 6.036 1.00 0.00 H ATOM 702 N ARG A 42 -1.656 1.483 9.285 1.00 0.00 N ATOM 703 CA ARG A 42 -2.502 1.034 10.383 1.00 0.00 C ATOM 704 C ARG A 42 -2.410 -0.476 10.569 1.00 0.00 C ATOM 705 O ARG A 42 -2.431 -0.975 11.694 1.00 0.00 O ATOM 706 CB ARG A 42 -3.952 1.423 10.134 1.00 0.00 C ATOM 707 CG ARG A 42 -4.926 0.988 11.218 1.00 0.00 C ATOM 708 CD ARG A 42 -4.670 1.690 12.501 1.00 0.00 C ATOM 709 NE ARG A 42 -5.562 1.236 13.556 1.00 0.00 N ATOM 710 CZ ARG A 42 -5.344 0.153 14.328 1.00 0.00 C ATOM 711 NH1 ARG A 42 -4.263 -0.573 14.152 1.00 0.00 N ATOM 712 NH2 ARG A 42 -6.218 -0.178 15.263 1.00 0.00 N ATOM 713 H ARG A 42 -2.076 1.675 8.386 1.00 0.00 H ATOM 714 HA ARG A 42 -2.168 1.520 11.300 1.00 0.00 H ATOM 715 1HB ARG A 42 -4.027 2.505 10.040 1.00 0.00 H ATOM 716 2HB ARG A 42 -4.290 0.988 9.193 1.00 0.00 H ATOM 717 1HG ARG A 42 -5.945 1.211 10.902 1.00 0.00 H ATOM 718 2HG ARG A 42 -4.825 -0.085 11.388 1.00 0.00 H ATOM 719 1HD ARG A 42 -3.644 1.505 12.819 1.00 0.00 H ATOM 720 2HD ARG A 42 -4.820 2.761 12.366 1.00 0.00 H ATOM 721 HE ARG A 42 -6.405 1.769 13.721 1.00 0.00 H ATOM 722 1HH1 ARG A 42 -3.595 -0.320 13.437 1.00 0.00 H ATOM 723 2HH1 ARG A 42 -4.100 -1.384 14.731 1.00 0.00 H ATOM 724 1HH2 ARG A 42 -7.050 0.381 15.398 1.00 0.00 H ATOM 725 2HH2 ARG A 42 -6.055 -0.989 15.841 1.00 0.00 H ATOM 726 N ARG A 43 -2.305 -1.198 9.459 1.00 0.00 N ATOM 727 CA ARG A 43 -2.312 -2.655 9.490 1.00 0.00 C ATOM 728 C ARG A 43 -0.949 -3.204 9.894 1.00 0.00 C ATOM 729 O ARG A 43 0.083 -2.589 9.626 1.00 0.00 O ATOM 730 OXT ARG A 43 -0.873 -4.249 10.480 1.00 0.00 O ATOM 731 CB ARG A 43 -2.700 -3.217 8.130 1.00 0.00 C ATOM 732 CG ARG A 43 -2.762 -4.735 8.060 1.00 0.00 C ATOM 733 CD ARG A 43 -3.907 -5.274 8.837 1.00 0.00 C ATOM 734 NE ARG A 43 -4.106 -6.694 8.595 1.00 0.00 N ATOM 735 CZ ARG A 43 -3.506 -7.680 9.290 1.00 0.00 C ATOM 736 NH1 ARG A 43 -2.675 -7.386 10.265 1.00 0.00 N ATOM 737 NH2 ARG A 43 -3.754 -8.944 8.992 1.00 0.00 N ATOM 738 H ARG A 43 -2.219 -0.726 8.570 1.00 0.00 H ATOM 739 HA ARG A 43 -3.052 -2.983 10.222 1.00 0.00 H ATOM 740 1HB ARG A 43 -3.678 -2.834 7.844 1.00 0.00 H ATOM 741 2HB ARG A 43 -1.984 -2.881 7.380 1.00 0.00 H ATOM 742 1HG ARG A 43 -2.876 -5.046 7.021 1.00 0.00 H ATOM 743 2HG ARG A 43 -1.842 -5.156 8.467 1.00 0.00 H ATOM 744 1HD ARG A 43 -3.722 -5.133 9.902 1.00 0.00 H ATOM 745 2HD ARG A 43 -4.818 -4.749 8.555 1.00 0.00 H ATOM 746 HE ARG A 43 -4.739 -6.960 7.853 1.00 0.00 H ATOM 747 1HH1 ARG A 43 -2.485 -6.420 10.493 1.00 0.00 H ATOM 748 2HH1 ARG A 43 -2.226 -8.125 10.786 1.00 0.00 H ATOM 749 1HH2 ARG A 43 -4.394 -9.170 8.242 1.00 0.00 H ATOM 750 2HH2 ARG A 43 -3.305 -9.683 9.512 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE start13_0111_0001.pdb label fa_atr fa_rep fa_sol fa_intra_atr_xover4 fa_intra_rep_xover4 fa_intra_sol_xover4 lk_ball lk_ball_iso lk_ball_bridge lk_ball_bridge_uncpl fa_elec fa_intra_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun_dev fa_dun_rot fa_dun_semi p_aa_pp hxl_tors ref rama_prepro gen_bonded total weights 1 0.55 1 1 0.55 1 0.92 -0.38 -0.33 -0.33 1 1 1.25 1 1 1 1 1.25 0.48 0.69 0.76 0.78 0.61 1 1 0.5 1 NA pose -215.947 25.2609 169.201 -22.8781 24.1573 17.5932 84.6062 -91.6176 -0.25321 -1.3713 -58.0088 -11.6244 0 -23.1219 -2.17222 0 -4.27877 0 -0.2093 6.1883 37.5863 40.5885 -11.6708 6.85795 -31.7072 -2.11303 0 -64.9336 THR:NtermProteinFull_1 -4.76362 0.52127 3.95702 -0.18165 0.1313 0.06536 2.05396 -2.05312 -0.05701 -0.31028 -1.1288 -1.02468 0 0 0 0 0 0 0.11497 0.00425 0.07161 0 0 2.28686 -1.0874 0 0 -1.39996 GLU_2 -4.26244 0.34754 3.26823 -0.34679 0.0701 0.41533 1.66435 -1.74302 -0 -0 -1.60071 -0.63023 0 0 0 0 0 0 -0.05138 0.07738 0 3.54683 -0.2706 0 -2.7348 -0.20258 0 -2.45279 GLU_3 -3.26387 0.34523 3.22478 -0.21751 0.03486 0.31004 1.32087 -1.59605 -0 -0 -0.60843 -0.59715 0 0 0 0 0 0 -0.04656 0.02133 0 3.00788 -0.32398 0 -2.7348 -0.43976 0 -1.56311 GLU_4 -4.97908 0.28644 5.35549 -0.21467 0.02875 0.29921 2.16775 -2.46523 -0.05701 -0.31028 -1.58192 -0.57078 0 0 0 0 0 0 0.09747 0.0144 0 3.10651 -0.32432 0 -2.7348 -0.46912 0 -2.35119 VAL_5 -7.8869 0.92024 4.12243 -0.31158 0.27456 0.07073 3.11117 -2.85147 -0 -0 -1.89719 -0.06953 0 0 0 0 0 0 -0.06944 0.05792 0.07488 0 -0.33226 0 1.9342 -0.10118 0 -2.95343 GLU_6 -4.54631 0.15463 5.70162 -0.6775 0.21793 1.27222 2.4782 -2.51743 -0 -0 -3.02854 -0.62855 0 0 0 0 -0.57092 0 0.05195 0.03831 0 3.47381 -0.25245 0 -2.7348 -0.06852 0 -1.63638 LEU_7 -5.45026 0.60565 4.56192 -1.01484 4.42887 0.50887 2.39088 -2.51569 -0 -0 -1.98648 0.09275 0 0 0 0 0 0 0.02926 0.18473 1.71989 0 -0.19162 0 0.18072 0.13038 0 3.67503 LEU_8 -9.14936 1.08499 4.20333 -0.50813 0.56208 0.12599 2.75013 -3.11806 -0 -0 -2.10998 0.23426 0 0 0 0 0 0 -0.01476 0.19497 0.31878 0 -0.30807 0 0.18072 0.2494 0 -5.30371 LEU_9 -6.69394 1.01467 4.74275 -1.00517 3.669 0.49854 2.50781 -2.7492 -0 -0 -1.7114 0.13565 0 0 0 0 0 0 0.00709 0.13333 1.71256 0 -0.19192 0 0.18072 0.23928 0 2.48977 ARG_10 -5.24209 0.22712 5.49778 -0.73774 0.75795 0.42114 2.03736 -2.57796 -0 -0 -2.03931 0.4469 0 0 0 0 -0.57092 0 0.00989 0.20353 2.56168 0 -0.15979 0 -1.2888 0.16187 0 -0.2914 LEU_11 -7.62402 1.58878 4.38442 -0.70699 0.495 0.26073 2.64637 -2.73844 -0 -0 -2.27641 0.1957 0 0 0 0 0 0 0.02675 0.00056 0.73836 0 -0.18471 0 0.18072 0.13057 0 -2.8826 ILE_12 -8.37811 2.07521 4.11848 -0.71131 1.01561 0.23627 3.10744 -3.03363 -0 -0 -1.85546 0.45834 0 0 0 0 0 0 -0.06582 0.38577 0.98435 0 -0.03982 0 0.73287 0.27214 0 -0.69765 LYS_13 -3.58331 0.86874 3.11024 -0.81324 1.24005 0.50934 1.36851 -1.54314 -0 -0 -0.48118 0.17709 0 0 0 0 0 0 -0.0399 0.0679 2.21431 0 -0.00897 0 -1.5107 -0.06526 0 1.51048 ARG_14 -2.60926 0.46154 3.19287 -1.62703 1.48238 1.64695 1.58566 -1.45445 -0 -0 -0.79976 -1.38321 0 0 0 0 0 0 -0.03722 0.09075 3.99586 0 -0.05082 0 -1.2888 -0.29579 0 2.90968 GLY_15 -1.44661 0.12843 2.08304 -7e-05 0 0 0.81771 -0.99517 -0 -0 -0.56999 -0.35907 0 0 0 0 0 0 -0.00341 0 0 0 -1.53952 0 0.83697 -0.23338 0 -1.28107 TRP_16 -9.57718 1.87663 3.50568 -1.06911 0.05168 0.34361 2.6315 -2.77861 -0 -0 0.05298 -0.56114 0 0 0 0 0 0 -0.00456 0.3299 0 2.9782 -0.07897 0 1.6906 -0.35066 0 -0.95946 GLU_17 -2.81754 0.17588 2.49584 -0.29552 0.05234 0.35851 0.9835 -1.35641 -0 -0 0.53101 -0.297 0 0 0 0 0 0 0.08268 0.01015 0 2.85334 0.0587 0 -2.7348 -0.46201 0 -0.36131 ILE_18 -6.55866 0.98127 1.73799 -0.5586 1.00787 0.11198 0.5663 -1.75599 -0.00375 -0.01074 -0.16616 0.0616 0 0 0 0 0 0 0.0888 0.46867 1.49604 0 -0.03011 0 0.73287 -0.21249 0 -2.04312 GLU_19 -4.22499 0.20263 3.90392 -0.3039 0.0637 0.37567 2.20675 -1.82084 -0 -0 -1.72546 -0.30545 0 0 0 0 0 0 0.01715 0.00508 0 2.96976 0.22867 0 -2.7348 -0.15037 0 -1.2925 ARG_20 -4.98506 0.47327 2.99974 -0.59382 0.18387 0.35847 0.89271 -1.56477 -0.00566 -0.01668 -0.62083 -0.01694 0 0 0 0 0 0 -0.02639 0.21643 2.54353 0 0.0123 0 -1.2888 -0.05597 0 -1.49461 ILE_21 -3.12171 0.30047 3.52582 -0.50457 0.67517 0.12739 1.57585 -1.58483 -0 -0 -1.34644 -0.21011 0 0 0 0 0 0 -0.02751 0.02934 0.24011 0 -0.43919 0 0.73287 0.0654 0 0.03805 GLY_22 -1.0742 0.23191 1.30874 -5e-05 0 0 0.49947 -0.66527 -0.00192 -0.00594 -0.47424 -0.41675 0 0 0 0 0 0 -0.17811 0 0 0 -1.4237 0 0.83697 -0.36497 0 -1.72806 GLY_23 -2.18217 0.28611 2.68606 -0.0001 0 0 0.94568 -1.29114 -0 -0 0.31063 -0.41514 0 0 0 0 0 0 -0.02625 0 0 0 -0.92919 0 0.83697 0.41411 0 0.63558 GLU_24 -1.55822 0.24568 2.28763 -0.33492 0.07053 0.39447 0.76102 -1.01627 -0 -0 -0.7692 -0.59598 0 0 0 0 0 0 0.10798 0.00651 0 3.20411 -0.12427 0 -2.7348 0.83036 0 0.77463 ASP_25 -3.71637 0.24609 5.5023 -0.24754 0.11329 0.81739 2.67294 -2.35946 -0.01236 -0.0424 -2.72929 -1.19883 0 0 0 0 -0.81364 0 -0.04456 0.02394 0 1.8895 -0.81667 0 -2.3716 -0.22662 0 -3.3139 THR_26 -5.78036 0.89855 3.46994 -0.17529 0.10902 0.06328 1.70636 -2.12207 -0.00468 -0.01717 -0.73444 -0.18784 0 0 0 0 0 0 -0.04767 0.04681 0.13137 0 -0.11046 2.28509 -1.0874 -0.19872 0 -1.75568 GLN_27 -5.77803 0.53563 3.95523 -0.58754 0.0968 0.59787 2.86776 -2.34225 -0.01236 -0.0424 -2.55752 -0.84114 0 0 0 0 -0.81364 0 -0.02665 0.17353 0 3.09665 0.31707 0 -0.18838 -0.00032 0 -1.54969 GLY_28 -4.22604 0.33524 1.70693 -8e-05 0 0 0.71631 -1.4215 -0.02597 -0.13322 0.30016 -0.35599 0 0 0 0 0 0 -0.17369 0 0 0 -1.53868 0 0.83697 0.05413 0 -3.92543 LEU_29 -6.84199 0.92332 4.37718 -0.51853 0.70562 0.08994 2.52297 -2.57882 -0.02131 -0.11618 -1.33848 0.40088 0 0 0 0 0 0 0.15907 0.40091 0.80145 0 -0.22252 0 0.18072 -0.22926 0 -1.30506 GLU_30 -3.28611 0.16253 3.80527 -0.42285 0.10834 1.14154 1.80256 -1.76778 -0.01182 -0.07756 -1.84754 -1.90225 0 0 0 0 0 0 -0.04598 0.41004 0 4.01196 -0.27094 0 -2.7348 -0.47485 0 -1.40022 GLU_31 -3.4623 0.15958 3.51138 -0.21676 0.03631 0.30952 1.21191 -1.63495 -0.01182 -0.07756 -0.37099 -0.59972 0 0 0 0 0 0 -0.04148 0.05744 0 3.00935 -0.27986 0 -2.7348 -0.41735 0 -1.5521 VAL_32 -6.58082 0.90327 4.26936 -0.30943 0.26078 0.07039 2.74418 -2.63383 -0 -0 -1.32134 -0.15377 0 0 0 0 0 0 -0.01142 0.02218 0.26187 0 -0.37702 0 1.9342 -0.16928 0 -1.09066 LEU_33 -9.63606 0.78616 3.92498 -0.58606 1.517 0.1315 2.98997 -3.20622 -0 -0 -1.91151 0.23868 0 0 0 0 0 0 0.03938 1.19589 3.30199 0 -0.27929 0 0.18072 0.07185 0 -1.24101 THR_34 -4.99677 0.28562 5.62978 -0.20382 0.15949 0.07376 2.68307 -2.6552 -2e-05 -0.00013 -3.16989 -0.11711 0 0 0 0 0 0 -0.01699 0.01235 0.05557 0 -0.02233 2.286 -1.0874 0.42583 0 -0.65819 GLU_35 -5.68393 0.36904 6.72832 -0.66678 0.20566 1.24671 3.00906 -2.8573 -0.01376 -0.10538 -2.99013 -0.64707 0 0 0 0 -0.75482 0 -0.03005 0.00442 0 3.44058 -0.2527 0 -2.7348 0.20726 0 -1.52568 LEU_36 -6.61661 0.6911 4.67389 -0.5117 0.64929 0.12385 2.44435 -2.73485 -0 -0 -2.14446 0.26614 0 0 0 0 0 0 -0.05441 0.06728 0.3174 0 -0.27917 0 0.18072 -0.19019 0 -3.11738 LEU_37 -7.59416 1.10959 4.81761 -0.70665 1.08004 0.26145 2.60151 -2.88593 -0 -0 -1.93129 0.18194 0 0 0 0 0 0 0.10442 0.37023 1.00245 0 -0.25527 0 0.18072 -0.00032 0 -1.66365 ARG_38 -5.31539 0.25884 5.59759 -0.44292 0.05175 0.21937 2.42574 -2.64098 -0.01376 -0.10538 -2.37649 0.37969 0 0 0 0 0 0 -0.0398 0.05653 2.07505 0 -0.08625 0 -1.2888 -0.04181 0 -1.28702 ARG_39 -5.61098 0.38232 6.60507 -0.43828 0.05749 0.21248 3.10118 -2.81915 -0 -0 -3.10275 0.40037 0 0 0 0 -0.75482 0 0.08475 0.37694 2.11574 0 0.00343 0 -1.2888 0.17013 0 -0.50487 ILE_40 -5.59945 0.9643 3.98974 -0.73822 1.30668 0.25001 1.96266 -2.36397 -0 -0 0.1683 0.49678 0 0 0 0 0 0 -0.03603 0.05632 0.97574 0 -0.00637 0 0.73287 0.18183 0 2.34119 ARG_41 -4.94082 0.6816 4.37596 -0.43852 0.04845 0.21837 1.46394 -2.09874 -0 -0 -0.9335 0.32091 0 0 0 0 0 0 -0.04683 0.33542 2.00789 0 -0.15266 0 -1.2888 -0.13525 0 -0.5826 ARG_42 -2.38457 0.11747 3.17549 -1.60337 0.64208 1.54471 1.2985 -1.39779 -0 -0 -0.94943 -1.09401 0 0 0 0 0 0 -0.02404 0.01613 3.38648 0 -0.13649 0 -1.2888 -0.13712 0 1.16522 ARG:CtermProteinFull_43 -1.9173 0.04634 3.10935 -1.3289 0.49564 1.51024 1.3103 -1.31063 -0 -0 -0.18494 -0.93269 0 0 0 0 0 0 0 0.02072 2.4814 0 0 0 -1.2888 -0.02441 0 1.98632 #END_POSE_ENERGIES_TABLE start13_0111_0001.pdb score_per_res -1.25942 total_score -54.155
HEEH_KT_rd6_2583.pdb
ATOM 1 N THR A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA THR A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C THR A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O THR A 1 1.599 2.255 -0.807 1.00 0.00 O ATOM 5 CB THR A 1 2.012 -0.770 -1.213 1.00 0.00 C ATOM 6 OG1 THR A 1 1.581 -2.136 -1.153 1.00 0.00 O ATOM 7 CG2 THR A 1 3.533 -0.722 -1.226 1.00 0.00 C ATOM 8 1H THR A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 9 2H THR A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 10 3H THR A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 11 HA THR A 1 1.804 -0.509 0.900 1.00 0.00 H ATOM 12 HB THR A 1 1.633 -0.323 -2.132 1.00 0.00 H ATOM 13 HG1 THR A 1 1.687 -2.542 -2.017 1.00 0.00 H ATOM 14 1HG2 THR A 1 3.907 -1.271 -2.090 1.00 0.00 H ATOM 15 2HG2 THR A 1 3.864 0.314 -1.283 1.00 0.00 H ATOM 16 3HG2 THR A 1 3.918 -1.176 -0.314 1.00 0.00 H ATOM 17 N ILE A 2 2.940 1.688 0.910 1.00 0.00 N ATOM 18 CA ILE A 2 3.479 3.033 1.081 1.00 0.00 C ATOM 19 C ILE A 2 4.469 3.374 -0.024 1.00 0.00 C ATOM 20 O ILE A 2 4.508 4.504 -0.509 1.00 0.00 O ATOM 21 CB ILE A 2 4.167 3.178 2.451 1.00 0.00 C ATOM 22 CG1 ILE A 2 3.207 2.783 3.575 1.00 0.00 C ATOM 23 CG2 ILE A 2 4.665 4.602 2.647 1.00 0.00 C ATOM 24 CD1 ILE A 2 1.900 3.542 3.558 1.00 0.00 C ATOM 25 H ILE A 2 3.283 0.942 1.496 1.00 0.00 H ATOM 26 HA ILE A 2 2.653 3.743 1.042 1.00 0.00 H ATOM 27 HB ILE A 2 5.015 2.496 2.506 1.00 0.00 H ATOM 28 1HG1 ILE A 2 2.984 1.718 3.506 1.00 0.00 H ATOM 29 2HG1 ILE A 2 3.686 2.953 4.540 1.00 0.00 H ATOM 30 1HG2 ILE A 2 5.148 4.687 3.620 1.00 0.00 H ATOM 31 2HG2 ILE A 2 5.380 4.848 1.864 1.00 0.00 H ATOM 32 3HG2 ILE A 2 3.822 5.292 2.599 1.00 0.00 H ATOM 33 1HD1 ILE A 2 1.273 3.207 4.385 1.00 0.00 H ATOM 34 2HD1 ILE A 2 2.098 4.609 3.662 1.00 0.00 H ATOM 35 3HD1 ILE A 2 1.385 3.358 2.616 1.00 0.00 H ATOM 36 N GLU A 3 5.270 2.389 -0.420 1.00 0.00 N ATOM 37 CA GLU A 3 6.266 2.586 -1.466 1.00 0.00 C ATOM 38 C GLU A 3 5.612 2.993 -2.780 1.00 0.00 C ATOM 39 O GLU A 3 6.128 3.846 -3.503 1.00 0.00 O ATOM 40 CB GLU A 3 7.088 1.311 -1.667 1.00 0.00 C ATOM 41 CG GLU A 3 8.003 0.961 -0.502 1.00 0.00 C ATOM 42 CD GLU A 3 8.814 -0.281 -0.747 1.00 0.00 C ATOM 43 OE1 GLU A 3 8.556 -0.954 -1.716 1.00 0.00 O ATOM 44 OE2 GLU A 3 9.693 -0.556 0.035 1.00 0.00 O ATOM 45 H GLU A 3 5.186 1.483 0.016 1.00 0.00 H ATOM 46 HA GLU A 3 6.945 3.379 -1.153 1.00 0.00 H ATOM 47 1HB GLU A 3 6.416 0.467 -1.830 1.00 0.00 H ATOM 48 2HB GLU A 3 7.706 1.413 -2.559 1.00 0.00 H ATOM 49 1HG GLU A 3 8.681 1.795 -0.324 1.00 0.00 H ATOM 50 2HG GLU A 3 7.397 0.824 0.393 1.00 0.00 H ATOM 51 N GLU A 4 4.473 2.380 -3.083 1.00 0.00 N ATOM 52 CA GLU A 4 3.743 2.682 -4.309 1.00 0.00 C ATOM 53 C GLU A 4 3.183 4.098 -4.281 1.00 0.00 C ATOM 54 O GLU A 4 3.209 4.805 -5.288 1.00 0.00 O ATOM 55 CB GLU A 4 2.607 1.678 -4.515 1.00 0.00 C ATOM 56 CG GLU A 4 3.066 0.283 -4.915 1.00 0.00 C ATOM 57 CD GLU A 4 1.926 -0.686 -5.070 1.00 0.00 C ATOM 58 OE1 GLU A 4 0.858 -0.399 -4.585 1.00 0.00 O ATOM 59 OE2 GLU A 4 2.124 -1.713 -5.674 1.00 0.00 O ATOM 60 H GLU A 4 4.104 1.685 -2.450 1.00 0.00 H ATOM 61 HA GLU A 4 4.429 2.593 -5.152 1.00 0.00 H ATOM 62 1HB GLU A 4 2.028 1.589 -3.595 1.00 0.00 H ATOM 63 2HB GLU A 4 1.934 2.044 -5.291 1.00 0.00 H ATOM 64 1HG GLU A 4 3.605 0.345 -5.859 1.00 0.00 H ATOM 65 2HG GLU A 4 3.754 -0.092 -4.159 1.00 0.00 H ATOM 66 N ALA A 5 2.677 4.507 -3.122 1.00 0.00 N ATOM 67 CA ALA A 5 2.111 5.841 -2.961 1.00 0.00 C ATOM 68 C ALA A 5 3.113 6.916 -3.361 1.00 0.00 C ATOM 69 O ALA A 5 2.755 7.904 -4.003 1.00 0.00 O ATOM 70 CB ALA A 5 1.654 6.052 -1.525 1.00 0.00 C ATOM 71 H ALA A 5 2.685 3.877 -2.333 1.00 0.00 H ATOM 72 HA ALA A 5 1.233 5.924 -3.603 1.00 0.00 H ATOM 73 1HB ALA A 5 1.234 7.053 -1.420 1.00 0.00 H ATOM 74 2HB ALA A 5 0.894 5.312 -1.272 1.00 0.00 H ATOM 75 3HB ALA A 5 2.503 5.944 -0.853 1.00 0.00 H ATOM 76 N LEU A 6 4.369 6.719 -2.977 1.00 0.00 N ATOM 77 CA LEU A 6 5.420 7.686 -3.272 1.00 0.00 C ATOM 78 C LEU A 6 5.660 7.800 -4.771 1.00 0.00 C ATOM 79 O LEU A 6 5.701 8.901 -5.321 1.00 0.00 O ATOM 80 CB LEU A 6 6.723 7.282 -2.569 1.00 0.00 C ATOM 81 CG LEU A 6 7.830 8.344 -2.558 1.00 0.00 C ATOM 82 CD1 LEU A 6 8.667 8.193 -1.295 1.00 0.00 C ATOM 83 CD2 LEU A 6 8.689 8.195 -3.805 1.00 0.00 C ATOM 84 H LEU A 6 4.603 5.878 -2.469 1.00 0.00 H ATOM 85 HA LEU A 6 5.111 8.660 -2.892 1.00 0.00 H ATOM 86 1HB LEU A 6 6.496 7.030 -1.535 1.00 0.00 H ATOM 87 2HB LEU A 6 7.121 6.393 -3.059 1.00 0.00 H ATOM 88 HG LEU A 6 7.380 9.338 -2.544 1.00 0.00 H ATOM 89 1HD1 LEU A 6 9.453 8.948 -1.287 1.00 0.00 H ATOM 90 2HD1 LEU A 6 8.031 8.324 -0.420 1.00 0.00 H ATOM 91 3HD1 LEU A 6 9.116 7.201 -1.273 1.00 0.00 H ATOM 92 1HD2 LEU A 6 9.475 8.951 -3.797 1.00 0.00 H ATOM 93 2HD2 LEU A 6 9.140 7.202 -3.820 1.00 0.00 H ATOM 94 3HD2 LEU A 6 8.069 8.325 -4.692 1.00 0.00 H ATOM 95 N GLU A 7 5.819 6.656 -5.429 1.00 0.00 N ATOM 96 CA GLU A 7 6.081 6.627 -6.863 1.00 0.00 C ATOM 97 C GLU A 7 4.858 7.074 -7.655 1.00 0.00 C ATOM 98 O GLU A 7 4.984 7.717 -8.697 1.00 0.00 O ATOM 99 CB GLU A 7 6.497 5.221 -7.300 1.00 0.00 C ATOM 100 CG GLU A 7 7.865 4.784 -6.794 1.00 0.00 C ATOM 101 CD GLU A 7 8.301 3.459 -7.354 1.00 0.00 C ATOM 102 OE1 GLU A 7 7.504 2.816 -7.995 1.00 0.00 O ATOM 103 OE2 GLU A 7 9.431 3.089 -7.141 1.00 0.00 O ATOM 104 H GLU A 7 5.756 5.785 -4.921 1.00 0.00 H ATOM 105 HA GLU A 7 6.905 7.307 -7.078 1.00 0.00 H ATOM 106 1HB GLU A 7 5.763 4.497 -6.946 1.00 0.00 H ATOM 107 2HB GLU A 7 6.511 5.167 -8.389 1.00 0.00 H ATOM 108 1HG GLU A 7 8.600 5.541 -7.068 1.00 0.00 H ATOM 109 2HG GLU A 7 7.836 4.722 -5.707 1.00 0.00 H ATOM 110 N LEU A 8 3.677 6.730 -7.154 1.00 0.00 N ATOM 111 CA LEU A 8 2.429 7.091 -7.817 1.00 0.00 C ATOM 112 C LEU A 8 2.257 8.603 -7.883 1.00 0.00 C ATOM 113 O LEU A 8 1.754 9.138 -8.871 1.00 0.00 O ATOM 114 CB LEU A 8 1.238 6.466 -7.080 1.00 0.00 C ATOM 115 CG LEU A 8 1.022 4.966 -7.317 1.00 0.00 C ATOM 116 CD1 LEU A 8 0.036 4.427 -6.290 1.00 0.00 C ATOM 117 CD2 LEU A 8 0.514 4.743 -8.733 1.00 0.00 C ATOM 118 H LEU A 8 3.642 6.205 -6.292 1.00 0.00 H ATOM 119 HA LEU A 8 2.451 6.697 -8.834 1.00 0.00 H ATOM 120 1HB LEU A 8 1.374 6.617 -6.010 1.00 0.00 H ATOM 121 2HB LEU A 8 0.329 6.984 -7.387 1.00 0.00 H ATOM 122 HG LEU A 8 1.966 4.437 -7.182 1.00 0.00 H ATOM 123 1HD1 LEU A 8 -0.118 3.360 -6.458 1.00 0.00 H ATOM 124 2HD1 LEU A 8 0.433 4.582 -5.287 1.00 0.00 H ATOM 125 3HD1 LEU A 8 -0.915 4.949 -6.389 1.00 0.00 H ATOM 126 1HD2 LEU A 8 0.361 3.676 -8.901 1.00 0.00 H ATOM 127 2HD2 LEU A 8 -0.431 5.271 -8.868 1.00 0.00 H ATOM 128 3HD2 LEU A 8 1.246 5.122 -9.446 1.00 0.00 H ATOM 129 N ALA A 9 2.679 9.288 -6.825 1.00 0.00 N ATOM 130 CA ALA A 9 2.542 10.737 -6.746 1.00 0.00 C ATOM 131 C ALA A 9 3.268 11.422 -7.898 1.00 0.00 C ATOM 132 O ALA A 9 2.774 12.399 -8.461 1.00 0.00 O ATOM 133 CB ALA A 9 3.067 11.247 -5.412 1.00 0.00 C ATOM 134 H ALA A 9 3.104 8.791 -6.055 1.00 0.00 H ATOM 135 HA ALA A 9 1.483 10.988 -6.802 1.00 0.00 H ATOM 136 1HB ALA A 9 2.958 12.330 -5.368 1.00 0.00 H ATOM 137 2HB ALA A 9 2.500 10.792 -4.600 1.00 0.00 H ATOM 138 3HB ALA A 9 4.119 10.984 -5.311 1.00 0.00 H ATOM 139 N GLU A 10 4.442 10.904 -8.242 1.00 0.00 N ATOM 140 CA GLU A 10 5.283 11.522 -9.261 1.00 0.00 C ATOM 141 C GLU A 10 4.650 11.407 -10.642 1.00 0.00 C ATOM 142 O GLU A 10 4.700 12.343 -11.438 1.00 0.00 O ATOM 143 CB GLU A 10 6.671 10.877 -9.269 1.00 0.00 C ATOM 144 CG GLU A 10 7.498 11.149 -8.021 1.00 0.00 C ATOM 145 CD GLU A 10 8.846 10.485 -8.056 1.00 0.00 C ATOM 146 OE1 GLU A 10 9.077 9.699 -8.943 1.00 0.00 O ATOM 147 OE2 GLU A 10 9.646 10.765 -7.195 1.00 0.00 O ATOM 148 H GLU A 10 4.760 10.060 -7.788 1.00 0.00 H ATOM 149 HA GLU A 10 5.401 12.578 -9.017 1.00 0.00 H ATOM 150 1HB GLU A 10 6.570 9.797 -9.375 1.00 0.00 H ATOM 151 2HB GLU A 10 7.234 11.239 -10.129 1.00 0.00 H ATOM 152 1HG GLU A 10 7.637 12.225 -7.917 1.00 0.00 H ATOM 153 2HG GLU A 10 6.947 10.796 -7.149 1.00 0.00 H ATOM 154 N GLU A 11 4.057 10.250 -10.920 1.00 0.00 N ATOM 155 CA GLU A 11 3.333 10.042 -12.169 1.00 0.00 C ATOM 156 C GLU A 11 1.949 10.674 -12.115 1.00 0.00 C ATOM 157 O GLU A 11 1.432 11.148 -13.127 1.00 0.00 O ATOM 158 CB GLU A 11 3.211 8.547 -12.472 1.00 0.00 C ATOM 159 CG GLU A 11 4.531 7.860 -12.790 1.00 0.00 C ATOM 160 CD GLU A 11 4.361 6.417 -13.177 1.00 0.00 C ATOM 161 OE1 GLU A 11 3.263 5.923 -13.087 1.00 0.00 O ATOM 162 OE2 GLU A 11 5.331 5.808 -13.563 1.00 0.00 O ATOM 163 H GLU A 11 4.107 9.498 -10.250 1.00 0.00 H ATOM 164 HA GLU A 11 3.899 10.507 -12.978 1.00 0.00 H ATOM 165 1HB GLU A 11 2.766 8.038 -11.617 1.00 0.00 H ATOM 166 2HB GLU A 11 2.545 8.402 -13.323 1.00 0.00 H ATOM 167 1HG GLU A 11 5.016 8.389 -13.610 1.00 0.00 H ATOM 168 2HG GLU A 11 5.181 7.923 -11.918 1.00 0.00 H ATOM 169 N ALA A 12 1.351 10.678 -10.928 1.00 0.00 N ATOM 170 CA ALA A 12 -0.002 11.191 -10.754 1.00 0.00 C ATOM 171 C ALA A 12 -0.111 12.633 -11.234 1.00 0.00 C ATOM 172 O ALA A 12 -1.077 13.004 -11.901 1.00 0.00 O ATOM 173 CB ALA A 12 -0.424 11.084 -9.296 1.00 0.00 C ATOM 174 H ALA A 12 1.847 10.316 -10.126 1.00 0.00 H ATOM 175 HA ALA A 12 -0.684 10.575 -11.341 1.00 0.00 H ATOM 176 1HB ALA A 12 -1.437 11.470 -9.182 1.00 0.00 H ATOM 177 2HB ALA A 12 -0.396 10.040 -8.984 1.00 0.00 H ATOM 178 3HB ALA A 12 0.257 11.666 -8.677 1.00 0.00 H ATOM 179 N ASN A 13 0.885 13.442 -10.889 1.00 0.00 N ATOM 180 CA ASN A 13 0.966 14.811 -11.385 1.00 0.00 C ATOM 181 C ASN A 13 -0.346 15.553 -11.169 1.00 0.00 C ATOM 182 O ASN A 13 -0.822 16.262 -12.055 1.00 0.00 O ATOM 183 CB ASN A 13 1.352 14.825 -12.853 1.00 0.00 C ATOM 184 CG ASN A 13 1.842 16.172 -13.308 1.00 0.00 C ATOM 185 OD1 ASN A 13 2.430 16.929 -12.527 1.00 0.00 O ATOM 186 ND2 ASN A 13 1.612 16.485 -14.558 1.00 0.00 N ATOM 187 H ASN A 13 1.605 13.100 -10.268 1.00 0.00 H ATOM 188 HA ASN A 13 1.734 15.339 -10.818 1.00 0.00 H ATOM 189 1HB ASN A 13 2.135 14.087 -13.030 1.00 0.00 H ATOM 190 2HB ASN A 13 0.491 14.541 -13.458 1.00 0.00 H ATOM 191 1HD2 ASN A 13 1.916 17.368 -14.916 1.00 0.00 H ATOM 192 2HD2 ASN A 13 1.133 15.842 -15.154 1.00 0.00 H ATOM 193 N GLY A 14 -0.927 15.386 -9.986 1.00 0.00 N ATOM 194 CA GLY A 14 -2.137 16.112 -9.618 1.00 0.00 C ATOM 195 C GLY A 14 -3.310 15.161 -9.420 1.00 0.00 C ATOM 196 O GLY A 14 -4.294 15.502 -8.764 1.00 0.00 O ATOM 197 H GLY A 14 -0.520 14.741 -9.325 1.00 0.00 H ATOM 198 1HA GLY A 14 -1.960 16.674 -8.701 1.00 0.00 H ATOM 199 2HA GLY A 14 -2.378 16.835 -10.397 1.00 0.00 H ATOM 200 N ARG A 15 -3.201 13.966 -9.992 1.00 0.00 N ATOM 201 CA ARG A 15 -4.207 12.929 -9.801 1.00 0.00 C ATOM 202 C ARG A 15 -4.233 12.446 -8.356 1.00 0.00 C ATOM 203 O ARG A 15 -3.188 12.302 -7.721 1.00 0.00 O ATOM 204 CB ARG A 15 -3.942 11.748 -10.723 1.00 0.00 C ATOM 205 CG ARG A 15 -4.969 10.630 -10.642 1.00 0.00 C ATOM 206 CD ARG A 15 -4.776 9.629 -11.722 1.00 0.00 C ATOM 207 NE ARG A 15 -3.516 8.917 -11.583 1.00 0.00 N ATOM 208 CZ ARG A 15 -3.325 7.847 -10.787 1.00 0.00 C ATOM 209 NH1 ARG A 15 -4.320 7.379 -10.066 1.00 0.00 N ATOM 210 NH2 ARG A 15 -2.138 7.269 -10.730 1.00 0.00 N ATOM 211 H ARG A 15 -2.398 13.771 -10.574 1.00 0.00 H ATOM 212 HA ARG A 15 -5.185 13.345 -10.047 1.00 0.00 H ATOM 213 1HB ARG A 15 -3.910 12.093 -11.755 1.00 0.00 H ATOM 214 2HB ARG A 15 -2.967 11.318 -10.491 1.00 0.00 H ATOM 215 1HG ARG A 15 -4.878 10.121 -9.682 1.00 0.00 H ATOM 216 2HG ARG A 15 -5.971 11.049 -10.738 1.00 0.00 H ATOM 217 1HD ARG A 15 -5.585 8.900 -11.690 1.00 0.00 H ATOM 218 2HD ARG A 15 -4.779 10.131 -12.689 1.00 0.00 H ATOM 219 HE ARG A 15 -2.727 9.248 -12.123 1.00 0.00 H ATOM 220 1HH1 ARG A 15 -5.227 7.821 -10.109 1.00 0.00 H ATOM 221 2HH1 ARG A 15 -4.177 6.578 -9.468 1.00 0.00 H ATOM 222 1HH2 ARG A 15 -1.373 7.629 -11.284 1.00 0.00 H ATOM 223 2HH2 ARG A 15 -1.995 6.468 -10.133 1.00 0.00 H ATOM 224 N THR A 16 -5.432 12.198 -7.841 1.00 0.00 N ATOM 225 CA THR A 16 -5.603 11.814 -6.445 1.00 0.00 C ATOM 226 C THR A 16 -5.166 10.373 -6.214 1.00 0.00 C ATOM 227 O THR A 16 -5.530 9.474 -6.973 1.00 0.00 O ATOM 228 CB THR A 16 -7.065 11.989 -5.996 1.00 0.00 C ATOM 229 OG1 THR A 16 -7.454 13.360 -6.151 1.00 0.00 O ATOM 230 CG2 THR A 16 -7.229 11.581 -4.540 1.00 0.00 C ATOM 231 H THR A 16 -6.247 12.279 -8.433 1.00 0.00 H ATOM 232 HA THR A 16 -4.988 12.469 -5.827 1.00 0.00 H ATOM 233 HB THR A 16 -7.713 11.370 -6.616 1.00 0.00 H ATOM 234 HG1 THR A 16 -7.468 13.585 -7.085 1.00 0.00 H ATOM 235 1HG2 THR A 16 -8.269 11.712 -4.241 1.00 0.00 H ATOM 236 2HG2 THR A 16 -6.945 10.536 -4.421 1.00 0.00 H ATOM 237 3HG2 THR A 16 -6.591 12.204 -3.914 1.00 0.00 H ATOM 238 N ILE A 17 -4.384 10.159 -5.161 1.00 0.00 N ATOM 239 CA ILE A 17 -3.904 8.824 -4.822 1.00 0.00 C ATOM 240 C ILE A 17 -4.474 8.355 -3.491 1.00 0.00 C ATOM 241 O ILE A 17 -4.407 9.069 -2.490 1.00 0.00 O ATOM 242 CB ILE A 17 -2.365 8.792 -4.763 1.00 0.00 C ATOM 243 CG1 ILE A 17 -1.770 9.182 -6.118 1.00 0.00 C ATOM 244 CG2 ILE A 17 -1.878 7.415 -4.339 1.00 0.00 C ATOM 245 CD1 ILE A 17 -2.175 8.264 -7.249 1.00 0.00 C ATOM 246 H ILE A 17 -4.116 10.940 -4.581 1.00 0.00 H ATOM 247 HA ILE A 17 -4.223 8.132 -5.603 1.00 0.00 H ATOM 248 HB ILE A 17 -2.014 9.530 -4.041 1.00 0.00 H ATOM 249 1HG1 ILE A 17 -2.079 10.195 -6.374 1.00 0.00 H ATOM 250 2HG1 ILE A 17 -0.682 9.180 -6.052 1.00 0.00 H ATOM 251 1HG2 ILE A 17 -0.789 7.410 -4.303 1.00 0.00 H ATOM 252 2HG2 ILE A 17 -2.275 7.177 -3.353 1.00 0.00 H ATOM 253 3HG2 ILE A 17 -2.220 6.671 -5.058 1.00 0.00 H ATOM 254 1HD1 ILE A 17 -1.714 8.603 -8.177 1.00 0.00 H ATOM 255 2HD1 ILE A 17 -1.844 7.248 -7.030 1.00 0.00 H ATOM 256 3HD1 ILE A 17 -3.259 8.276 -7.358 1.00 0.00 H ATOM 257 N THR A 18 -5.034 7.150 -3.484 1.00 0.00 N ATOM 258 CA THR A 18 -5.517 6.537 -2.253 1.00 0.00 C ATOM 259 C THR A 18 -4.614 5.390 -1.818 1.00 0.00 C ATOM 260 O THR A 18 -4.466 4.398 -2.532 1.00 0.00 O ATOM 261 CB THR A 18 -6.960 6.025 -2.417 1.00 0.00 C ATOM 262 OG1 THR A 18 -7.819 7.116 -2.775 1.00 0.00 O ATOM 263 CG2 THR A 18 -7.455 5.398 -1.123 1.00 0.00 C ATOM 264 H THR A 18 -5.128 6.647 -4.354 1.00 0.00 H ATOM 265 HA THR A 18 -5.523 7.294 -1.468 1.00 0.00 H ATOM 266 HB THR A 18 -6.993 5.279 -3.211 1.00 0.00 H ATOM 267 HG1 THR A 18 -7.705 7.320 -3.706 1.00 0.00 H ATOM 268 1HG2 THR A 18 -8.476 5.042 -1.258 1.00 0.00 H ATOM 269 2HG2 THR A 18 -6.810 4.561 -0.854 1.00 0.00 H ATOM 270 3HG2 THR A 18 -7.433 6.142 -0.327 1.00 0.00 H ATOM 271 N VAL A 19 -4.012 5.531 -0.643 1.00 0.00 N ATOM 272 CA VAL A 19 -3.037 4.560 -0.159 1.00 0.00 C ATOM 273 C VAL A 19 -3.451 3.986 1.189 1.00 0.00 C ATOM 274 O VAL A 19 -3.724 4.729 2.132 1.00 0.00 O ATOM 275 CB VAL A 19 -1.649 5.215 -0.030 1.00 0.00 C ATOM 276 CG1 VAL A 19 -1.760 6.564 0.666 1.00 0.00 C ATOM 277 CG2 VAL A 19 -0.709 4.292 0.730 1.00 0.00 C ATOM 278 H VAL A 19 -4.235 6.331 -0.068 1.00 0.00 H ATOM 279 HA VAL A 19 -2.980 3.740 -0.877 1.00 0.00 H ATOM 280 HB VAL A 19 -1.250 5.400 -1.028 1.00 0.00 H ATOM 281 1HG1 VAL A 19 -0.770 7.013 0.748 1.00 0.00 H ATOM 282 2HG1 VAL A 19 -2.408 7.220 0.086 1.00 0.00 H ATOM 283 3HG1 VAL A 19 -2.179 6.426 1.662 1.00 0.00 H ATOM 284 1HG2 VAL A 19 0.271 4.761 0.817 1.00 0.00 H ATOM 285 2HG2 VAL A 19 -1.111 4.103 1.725 1.00 0.00 H ATOM 286 3HG2 VAL A 19 -0.612 3.349 0.192 1.00 0.00 H ATOM 287 N THR A 20 -3.495 2.661 1.276 1.00 0.00 N ATOM 288 CA THR A 20 -3.824 1.986 2.525 1.00 0.00 C ATOM 289 C THR A 20 -2.567 1.650 3.317 1.00 0.00 C ATOM 290 O THR A 20 -1.583 1.163 2.761 1.00 0.00 O ATOM 291 CB THR A 20 -4.630 0.700 2.264 1.00 0.00 C ATOM 292 OG1 THR A 20 -5.824 1.020 1.538 1.00 0.00 O ATOM 293 CG2 THR A 20 -5.003 0.028 3.577 1.00 0.00 C ATOM 294 H THR A 20 -3.295 2.108 0.454 1.00 0.00 H ATOM 295 HA THR A 20 -4.448 2.650 3.123 1.00 0.00 H ATOM 296 HB THR A 20 -4.032 0.011 1.667 1.00 0.00 H ATOM 297 HG1 THR A 20 -5.605 1.180 0.617 1.00 0.00 H ATOM 298 1HG2 THR A 20 -5.572 -0.879 3.373 1.00 0.00 H ATOM 299 2HG2 THR A 20 -4.097 -0.227 4.125 1.00 0.00 H ATOM 300 3HG2 THR A 20 -5.609 0.709 4.174 1.00 0.00 H ATOM 301 N ILE A 21 -2.606 1.913 4.619 1.00 0.00 N ATOM 302 CA ILE A 21 -1.446 1.709 5.477 1.00 0.00 C ATOM 303 C ILE A 21 -1.595 0.443 6.312 1.00 0.00 C ATOM 304 O ILE A 21 -2.542 0.307 7.087 1.00 0.00 O ATOM 305 CB ILE A 21 -1.233 2.917 6.408 1.00 0.00 C ATOM 306 CG1 ILE A 21 -1.126 4.208 5.591 1.00 0.00 C ATOM 307 CG2 ILE A 21 0.011 2.719 7.260 1.00 0.00 C ATOM 308 CD1 ILE A 21 -2.451 4.901 5.368 1.00 0.00 C ATOM 309 H ILE A 21 -3.463 2.264 5.023 1.00 0.00 H ATOM 310 HA ILE A 21 -0.562 1.609 4.846 1.00 0.00 H ATOM 311 HB ILE A 21 -2.097 3.029 7.062 1.00 0.00 H ATOM 312 1HG1 ILE A 21 -0.457 4.904 6.096 1.00 0.00 H ATOM 313 2HG1 ILE A 21 -0.690 3.987 4.616 1.00 0.00 H ATOM 314 1HG2 ILE A 21 0.147 3.582 7.911 1.00 0.00 H ATOM 315 2HG2 ILE A 21 -0.104 1.821 7.867 1.00 0.00 H ATOM 316 3HG2 ILE A 21 0.882 2.611 6.613 1.00 0.00 H ATOM 317 1HD1 ILE A 21 -2.294 5.806 4.782 1.00 0.00 H ATOM 318 2HD1 ILE A 21 -3.125 4.233 4.831 1.00 0.00 H ATOM 319 3HD1 ILE A 21 -2.890 5.164 6.329 1.00 0.00 H ATOM 320 N ASN A 22 -0.654 -0.480 6.150 1.00 0.00 N ATOM 321 CA ASN A 22 -0.661 -1.723 6.913 1.00 0.00 C ATOM 322 C ASN A 22 -1.982 -2.463 6.750 1.00 0.00 C ATOM 323 O ASN A 22 -2.467 -3.103 7.683 1.00 0.00 O ATOM 324 CB ASN A 22 -0.378 -1.451 8.379 1.00 0.00 C ATOM 325 CG ASN A 22 0.971 -0.827 8.602 1.00 0.00 C ATOM 326 OD1 ASN A 22 1.929 -1.115 7.875 1.00 0.00 O ATOM 327 ND2 ASN A 22 1.066 0.021 9.593 1.00 0.00 N ATOM 328 H ASN A 22 0.085 -0.317 5.481 1.00 0.00 H ATOM 329 HA ASN A 22 0.124 -2.373 6.522 1.00 0.00 H ATOM 330 1HB ASN A 22 -1.144 -0.786 8.780 1.00 0.00 H ATOM 331 2HB ASN A 22 -0.430 -2.385 8.939 1.00 0.00 H ATOM 332 1HD2 ASN A 22 1.940 0.468 9.788 1.00 0.00 H ATOM 333 2HD2 ASN A 22 0.265 0.224 10.156 1.00 0.00 H ATOM 334 N ASN A 23 -2.562 -2.371 5.557 1.00 0.00 N ATOM 335 CA ASN A 23 -3.806 -3.069 5.255 1.00 0.00 C ATOM 336 C ASN A 23 -4.884 -2.742 6.279 1.00 0.00 C ATOM 337 O ASN A 23 -5.739 -3.574 6.582 1.00 0.00 O ATOM 338 CB ASN A 23 -3.574 -4.567 5.183 1.00 0.00 C ATOM 339 CG ASN A 23 -2.609 -4.951 4.096 1.00 0.00 C ATOM 340 OD1 ASN A 23 -2.648 -4.398 2.990 1.00 0.00 O ATOM 341 ND2 ASN A 23 -1.743 -5.888 4.388 1.00 0.00 N ATOM 342 H ASN A 23 -2.130 -1.802 4.843 1.00 0.00 H ATOM 343 HA ASN A 23 -4.151 -2.751 4.270 1.00 0.00 H ATOM 344 1HB ASN A 23 -3.186 -4.921 6.139 1.00 0.00 H ATOM 345 2HB ASN A 23 -4.522 -5.074 5.007 1.00 0.00 H ATOM 346 1HD2 ASN A 23 -1.077 -6.184 3.703 1.00 0.00 H ATOM 347 2HD2 ASN A 23 -1.747 -6.307 5.295 1.00 0.00 H ATOM 348 N GLY A 24 -4.841 -1.523 6.807 1.00 0.00 N ATOM 349 CA GLY A 24 -5.851 -1.062 7.752 1.00 0.00 C ATOM 350 C GLY A 24 -6.629 0.121 7.191 1.00 0.00 C ATOM 351 O GLY A 24 -7.330 -0.004 6.186 1.00 0.00 O ATOM 352 H GLY A 24 -4.088 -0.901 6.548 1.00 0.00 H ATOM 353 1HA GLY A 24 -6.536 -1.878 7.980 1.00 0.00 H ATOM 354 2HA GLY A 24 -5.371 -0.776 8.687 1.00 0.00 H ATOM 355 N SER A 25 -6.504 1.270 7.848 1.00 0.00 N ATOM 356 CA SER A 25 -7.132 2.497 7.372 1.00 0.00 C ATOM 357 C SER A 25 -6.379 3.076 6.180 1.00 0.00 C ATOM 358 O SER A 25 -5.258 2.663 5.882 1.00 0.00 O ATOM 359 CB SER A 25 -7.191 3.520 8.489 1.00 0.00 C ATOM 360 OG SER A 25 -5.905 3.934 8.860 1.00 0.00 O ATOM 361 H SER A 25 -5.958 1.294 8.697 1.00 0.00 H ATOM 362 HA SER A 25 -8.152 2.266 7.062 1.00 0.00 H ATOM 363 1HB SER A 25 -7.774 4.382 8.163 1.00 0.00 H ATOM 364 2HB SER A 25 -7.700 3.089 9.350 1.00 0.00 H ATOM 365 HG SER A 25 -6.028 4.609 9.532 1.00 0.00 H ATOM 366 N ARG A 26 -7.002 4.034 5.502 1.00 0.00 N ATOM 367 CA ARG A 26 -6.408 4.644 4.318 1.00 0.00 C ATOM 368 C ARG A 26 -6.419 6.164 4.419 1.00 0.00 C ATOM 369 O ARG A 26 -7.214 6.741 5.161 1.00 0.00 O ATOM 370 CB ARG A 26 -7.156 4.216 3.064 1.00 0.00 C ATOM 371 CG ARG A 26 -8.624 4.611 3.029 1.00 0.00 C ATOM 372 CD ARG A 26 -8.808 5.998 2.529 1.00 0.00 C ATOM 373 NE ARG A 26 -10.166 6.231 2.064 1.00 0.00 N ATOM 374 CZ ARG A 26 -11.187 6.623 2.851 1.00 0.00 C ATOM 375 NH1 ARG A 26 -10.989 6.820 4.136 1.00 0.00 N ATOM 376 NH2 ARG A 26 -12.388 6.808 2.331 1.00 0.00 N ATOM 377 H ARG A 26 -7.910 4.347 5.815 1.00 0.00 H ATOM 378 HA ARG A 26 -5.375 4.306 4.236 1.00 0.00 H ATOM 379 1HB ARG A 26 -6.677 4.652 2.189 1.00 0.00 H ATOM 380 2HB ARG A 26 -7.103 3.132 2.961 1.00 0.00 H ATOM 381 1HG ARG A 26 -9.167 3.934 2.369 1.00 0.00 H ATOM 382 2HG ARG A 26 -9.042 4.550 4.034 1.00 0.00 H ATOM 383 1HD ARG A 26 -8.596 6.704 3.331 1.00 0.00 H ATOM 384 2HD ARG A 26 -8.127 6.178 1.698 1.00 0.00 H ATOM 385 HE ARG A 26 -10.357 6.089 1.081 1.00 0.00 H ATOM 386 1HH1 ARG A 26 -10.071 6.678 4.533 1.00 0.00 H ATOM 387 2HH1 ARG A 26 -11.754 7.113 4.725 1.00 0.00 H ATOM 388 1HH2 ARG A 26 -12.540 6.657 1.344 1.00 0.00 H ATOM 389 2HH2 ARG A 26 -13.153 7.102 2.921 1.00 0.00 H ATOM 390 N ILE A 27 -5.531 6.807 3.668 1.00 0.00 N ATOM 391 CA ILE A 27 -5.535 8.261 3.553 1.00 0.00 C ATOM 392 C ILE A 27 -5.652 8.698 2.099 1.00 0.00 C ATOM 393 O ILE A 27 -4.999 8.140 1.218 1.00 0.00 O ATOM 394 CB ILE A 27 -4.260 8.865 4.170 1.00 0.00 C ATOM 395 CG1 ILE A 27 -4.362 10.392 4.219 1.00 0.00 C ATOM 396 CG2 ILE A 27 -3.033 8.434 3.382 1.00 0.00 C ATOM 397 CD1 ILE A 27 -3.284 11.049 5.050 1.00 0.00 C ATOM 398 H ILE A 27 -4.837 6.275 3.163 1.00 0.00 H ATOM 399 HA ILE A 27 -6.392 8.649 4.106 1.00 0.00 H ATOM 400 HB ILE A 27 -4.157 8.523 5.200 1.00 0.00 H ATOM 401 1HG1 ILE A 27 -4.304 10.792 3.207 1.00 0.00 H ATOM 402 2HG1 ILE A 27 -5.330 10.679 4.629 1.00 0.00 H ATOM 403 1HG2 ILE A 27 -2.141 8.870 3.831 1.00 0.00 H ATOM 404 2HG2 ILE A 27 -2.953 7.348 3.397 1.00 0.00 H ATOM 405 3HG2 ILE A 27 -3.124 8.777 2.351 1.00 0.00 H ATOM 406 1HD1 ILE A 27 -3.423 12.130 5.037 1.00 0.00 H ATOM 407 2HD1 ILE A 27 -3.345 10.688 6.077 1.00 0.00 H ATOM 408 3HD1 ILE A 27 -2.306 10.804 4.637 1.00 0.00 H ATOM 409 N THR A 28 -6.489 9.701 1.854 1.00 0.00 N ATOM 410 CA THR A 28 -6.666 10.241 0.511 1.00 0.00 C ATOM 411 C THR A 28 -5.921 11.559 0.345 1.00 0.00 C ATOM 412 O THR A 28 -6.196 12.531 1.048 1.00 0.00 O ATOM 413 CB THR A 28 -8.157 10.447 0.187 1.00 0.00 C ATOM 414 OG1 THR A 28 -8.742 11.330 1.153 1.00 0.00 O ATOM 415 CG2 THR A 28 -8.896 9.117 0.209 1.00 0.00 C ATOM 416 H THR A 28 -7.018 10.099 2.617 1.00 0.00 H ATOM 417 HA THR A 28 -6.268 9.522 -0.206 1.00 0.00 H ATOM 418 HB THR A 28 -8.257 10.895 -0.802 1.00 0.00 H ATOM 419 HG1 THR A 28 -8.425 12.223 1.002 1.00 0.00 H ATOM 420 1HG2 THR A 28 -9.948 9.281 -0.023 1.00 0.00 H ATOM 421 2HG2 THR A 28 -8.461 8.447 -0.533 1.00 0.00 H ATOM 422 3HG2 THR A 28 -8.808 8.669 1.198 1.00 0.00 H ATOM 423 N LEU A 29 -4.975 11.585 -0.588 1.00 0.00 N ATOM 424 CA LEU A 29 -4.108 12.744 -0.767 1.00 0.00 C ATOM 425 C LEU A 29 -4.162 13.255 -2.201 1.00 0.00 C ATOM 426 O LEU A 29 -4.046 12.482 -3.151 1.00 0.00 O ATOM 427 CB LEU A 29 -2.662 12.386 -0.400 1.00 0.00 C ATOM 428 CG LEU A 29 -2.433 11.951 1.054 1.00 0.00 C ATOM 429 CD1 LEU A 29 -1.011 11.430 1.210 1.00 0.00 C ATOM 430 CD2 LEU A 29 -2.689 13.129 1.982 1.00 0.00 C ATOM 431 H LEU A 29 -4.855 10.782 -1.189 1.00 0.00 H ATOM 432 HA LEU A 29 -4.447 13.537 -0.100 1.00 0.00 H ATOM 433 1HB LEU A 29 -2.331 11.573 -1.044 1.00 0.00 H ATOM 434 2HB LEU A 29 -2.030 13.253 -0.590 1.00 0.00 H ATOM 435 HG LEU A 29 -3.116 11.138 1.302 1.00 0.00 H ATOM 436 1HD1 LEU A 29 -0.849 11.121 2.243 1.00 0.00 H ATOM 437 2HD1 LEU A 29 -0.862 10.576 0.549 1.00 0.00 H ATOM 438 3HD1 LEU A 29 -0.304 12.217 0.952 1.00 0.00 H ATOM 439 1HD2 LEU A 29 -2.527 12.820 3.015 1.00 0.00 H ATOM 440 2HD2 LEU A 29 -2.006 13.942 1.735 1.00 0.00 H ATOM 441 3HD2 LEU A 29 -3.717 13.470 1.862 1.00 0.00 H ATOM 442 N THR A 30 -4.339 14.563 -2.350 1.00 0.00 N ATOM 443 CA THR A 30 -4.563 15.162 -3.661 1.00 0.00 C ATOM 444 C THR A 30 -3.346 15.954 -4.120 1.00 0.00 C ATOM 445 O THR A 30 -3.341 16.527 -5.209 1.00 0.00 O ATOM 446 CB THR A 30 -5.801 16.078 -3.647 1.00 0.00 C ATOM 447 OG1 THR A 30 -5.594 17.152 -2.720 1.00 0.00 O ATOM 448 CG2 THR A 30 -7.040 15.295 -3.241 1.00 0.00 C ATOM 449 H THR A 30 -4.317 15.160 -1.534 1.00 0.00 H ATOM 450 HA THR A 30 -4.740 14.363 -4.381 1.00 0.00 H ATOM 451 HB THR A 30 -5.953 16.499 -4.641 1.00 0.00 H ATOM 452 HG1 THR A 30 -6.226 17.853 -2.897 1.00 0.00 H ATOM 453 1HG2 THR A 30 -7.904 15.958 -3.238 1.00 0.00 H ATOM 454 2HG2 THR A 30 -7.206 14.484 -3.951 1.00 0.00 H ATOM 455 3HG2 THR A 30 -6.897 14.880 -2.244 1.00 0.00 H ATOM 456 N ILE A 31 -2.314 15.981 -3.284 1.00 0.00 N ATOM 457 CA ILE A 31 -1.123 16.777 -3.561 1.00 0.00 C ATOM 458 C ILE A 31 0.108 15.892 -3.709 1.00 0.00 C ATOM 459 O ILE A 31 0.412 15.084 -2.832 1.00 0.00 O ATOM 460 CB ILE A 31 -0.882 17.811 -2.447 1.00 0.00 C ATOM 461 CG1 ILE A 31 -2.091 18.741 -2.311 1.00 0.00 C ATOM 462 CG2 ILE A 31 0.380 18.611 -2.728 1.00 0.00 C ATOM 463 CD1 ILE A 31 -2.055 19.613 -1.077 1.00 0.00 C ATOM 464 H ILE A 31 -2.355 15.437 -2.434 1.00 0.00 H ATOM 465 HA ILE A 31 -1.279 17.318 -4.495 1.00 0.00 H ATOM 466 HB ILE A 31 -0.771 17.298 -1.492 1.00 0.00 H ATOM 467 1HG1 ILE A 31 -2.151 19.389 -3.185 1.00 0.00 H ATOM 468 2HG1 ILE A 31 -3.005 18.148 -2.282 1.00 0.00 H ATOM 469 1HG2 ILE A 31 0.535 19.338 -1.931 1.00 0.00 H ATOM 470 2HG2 ILE A 31 1.235 17.938 -2.776 1.00 0.00 H ATOM 471 3HG2 ILE A 31 0.276 19.133 -3.680 1.00 0.00 H ATOM 472 1HD1 ILE A 31 -2.944 20.243 -1.050 1.00 0.00 H ATOM 473 2HD1 ILE A 31 -2.030 18.983 -0.187 1.00 0.00 H ATOM 474 3HD1 ILE A 31 -1.166 20.242 -1.101 1.00 0.00 H ATOM 475 N VAL A 32 0.815 16.051 -4.823 1.00 0.00 N ATOM 476 CA VAL A 32 1.955 15.199 -5.135 1.00 0.00 C ATOM 477 C VAL A 32 3.058 15.351 -4.096 1.00 0.00 C ATOM 478 O VAL A 32 3.639 14.364 -3.643 1.00 0.00 O ATOM 479 CB VAL A 32 2.514 15.545 -6.528 1.00 0.00 C ATOM 480 CG1 VAL A 32 3.852 14.856 -6.751 1.00 0.00 C ATOM 481 CG2 VAL A 32 1.515 15.141 -7.602 1.00 0.00 C ATOM 482 H VAL A 32 0.555 16.783 -5.470 1.00 0.00 H ATOM 483 HA VAL A 32 1.619 14.161 -5.140 1.00 0.00 H ATOM 484 HB VAL A 32 2.692 16.619 -6.582 1.00 0.00 H ATOM 485 1HG1 VAL A 32 4.233 15.112 -7.740 1.00 0.00 H ATOM 486 2HG1 VAL A 32 4.562 15.187 -5.993 1.00 0.00 H ATOM 487 3HG1 VAL A 32 3.722 13.776 -6.681 1.00 0.00 H ATOM 488 1HG2 VAL A 32 1.916 15.389 -8.584 1.00 0.00 H ATOM 489 2HG2 VAL A 32 1.332 14.068 -7.545 1.00 0.00 H ATOM 490 3HG2 VAL A 32 0.578 15.677 -7.447 1.00 0.00 H ATOM 491 N GLU A 33 3.343 16.594 -3.721 1.00 0.00 N ATOM 492 CA GLU A 33 4.412 16.882 -2.771 1.00 0.00 C ATOM 493 C GLU A 33 4.114 16.272 -1.406 1.00 0.00 C ATOM 494 O GLU A 33 5.016 15.792 -0.721 1.00 0.00 O ATOM 495 CB GLU A 33 4.610 18.393 -2.633 1.00 0.00 C ATOM 496 CG GLU A 33 5.189 19.066 -3.869 1.00 0.00 C ATOM 497 CD GLU A 33 4.163 19.303 -4.941 1.00 0.00 C ATOM 498 OE1 GLU A 33 3.002 19.090 -4.683 1.00 0.00 O ATOM 499 OE2 GLU A 33 4.539 19.698 -6.019 1.00 0.00 O ATOM 500 H GLU A 33 2.806 17.359 -4.104 1.00 0.00 H ATOM 501 HA GLU A 33 5.338 16.451 -3.152 1.00 0.00 H ATOM 502 1HB GLU A 33 3.654 18.867 -2.411 1.00 0.00 H ATOM 503 2HB GLU A 33 5.279 18.597 -1.796 1.00 0.00 H ATOM 504 1HG GLU A 33 5.623 20.023 -3.579 1.00 0.00 H ATOM 505 2HG GLU A 33 5.988 18.443 -4.269 1.00 0.00 H ATOM 506 N ILE A 34 2.844 16.294 -1.019 1.00 0.00 N ATOM 507 CA ILE A 34 2.429 15.771 0.277 1.00 0.00 C ATOM 508 C ILE A 34 2.571 14.254 0.330 1.00 0.00 C ATOM 509 O ILE A 34 3.021 13.698 1.332 1.00 0.00 O ATOM 510 CB ILE A 34 0.972 16.162 0.586 1.00 0.00 C ATOM 511 CG1 ILE A 34 0.847 17.680 0.736 1.00 0.00 C ATOM 512 CG2 ILE A 34 0.489 15.458 1.845 1.00 0.00 C ATOM 513 CD1 ILE A 34 1.689 18.255 1.852 1.00 0.00 C ATOM 514 H ILE A 34 2.147 16.684 -1.638 1.00 0.00 H ATOM 515 HA ILE A 34 3.065 16.208 1.048 1.00 0.00 H ATOM 516 HB ILE A 34 0.334 15.874 -0.248 1.00 0.00 H ATOM 517 1HG1 ILE A 34 1.140 18.163 -0.196 1.00 0.00 H ATOM 518 2HG1 ILE A 34 -0.194 17.942 0.926 1.00 0.00 H ATOM 519 1HG2 ILE A 34 -0.542 15.746 2.049 1.00 0.00 H ATOM 520 2HG2 ILE A 34 0.542 14.379 1.701 1.00 0.00 H ATOM 521 3HG2 ILE A 34 1.119 15.744 2.687 1.00 0.00 H ATOM 522 1HD1 ILE A 34 1.547 19.335 1.896 1.00 0.00 H ATOM 523 2HD1 ILE A 34 1.388 17.810 2.802 1.00 0.00 H ATOM 524 3HD1 ILE A 34 2.740 18.035 1.666 1.00 0.00 H ATOM 525 N ILE A 35 2.187 13.591 -0.755 1.00 0.00 N ATOM 526 CA ILE A 35 2.242 12.136 -0.823 1.00 0.00 C ATOM 527 C ILE A 35 3.675 11.633 -0.711 1.00 0.00 C ATOM 528 O ILE A 35 3.955 10.680 0.016 1.00 0.00 O ATOM 529 CB ILE A 35 1.618 11.624 -2.134 1.00 0.00 C ATOM 530 CG1 ILE A 35 0.128 11.972 -2.188 1.00 0.00 C ATOM 531 CG2 ILE A 35 1.821 10.123 -2.269 1.00 0.00 C ATOM 532 CD1 ILE A 35 -0.460 11.924 -3.580 1.00 0.00 C ATOM 533 H ILE A 35 1.848 14.109 -1.553 1.00 0.00 H ATOM 534 HA ILE A 35 1.663 11.728 0.007 1.00 0.00 H ATOM 535 HB ILE A 35 2.089 12.122 -2.980 1.00 0.00 H ATOM 536 1HG1 ILE A 35 -0.431 11.282 -1.557 1.00 0.00 H ATOM 537 2HG1 ILE A 35 -0.026 12.975 -1.789 1.00 0.00 H ATOM 538 1HG2 ILE A 35 1.374 9.777 -3.201 1.00 0.00 H ATOM 539 2HG2 ILE A 35 2.887 9.899 -2.274 1.00 0.00 H ATOM 540 3HG2 ILE A 35 1.348 9.614 -1.429 1.00 0.00 H ATOM 541 1HD1 ILE A 35 -1.519 12.183 -3.537 1.00 0.00 H ATOM 542 2HD1 ILE A 35 0.062 12.635 -4.221 1.00 0.00 H ATOM 543 3HD1 ILE A 35 -0.350 10.919 -3.986 1.00 0.00 H ATOM 544 N ARG A 36 4.581 12.279 -1.437 1.00 0.00 N ATOM 545 CA ARG A 36 5.980 11.867 -1.461 1.00 0.00 C ATOM 546 C ARG A 36 6.621 12.014 -0.087 1.00 0.00 C ATOM 547 O ARG A 36 7.322 11.116 0.381 1.00 0.00 O ATOM 548 CB ARG A 36 6.763 12.689 -2.473 1.00 0.00 C ATOM 549 CG ARG A 36 6.425 12.403 -3.928 1.00 0.00 C ATOM 550 CD ARG A 36 7.197 13.273 -4.852 1.00 0.00 C ATOM 551 NE ARG A 36 8.593 12.875 -4.932 1.00 0.00 N ATOM 552 CZ ARG A 36 9.597 13.468 -4.257 1.00 0.00 C ATOM 553 NH1 ARG A 36 9.344 14.481 -3.458 1.00 0.00 N ATOM 554 NH2 ARG A 36 10.837 13.031 -4.397 1.00 0.00 N ATOM 555 H ARG A 36 4.295 13.076 -1.986 1.00 0.00 H ATOM 556 HA ARG A 36 6.027 10.818 -1.758 1.00 0.00 H ATOM 557 1HB ARG A 36 6.586 13.749 -2.296 1.00 0.00 H ATOM 558 2HB ARG A 36 7.830 12.509 -2.341 1.00 0.00 H ATOM 559 1HG ARG A 36 6.660 11.364 -4.159 1.00 0.00 H ATOM 560 2HG ARG A 36 5.362 12.581 -4.097 1.00 0.00 H ATOM 561 1HD ARG A 36 6.768 13.213 -5.852 1.00 0.00 H ATOM 562 2HD ARG A 36 7.156 14.303 -4.501 1.00 0.00 H ATOM 563 HE ARG A 36 8.827 12.099 -5.537 1.00 0.00 H ATOM 564 1HH1 ARG A 36 8.397 14.815 -3.350 1.00 0.00 H ATOM 565 2HH1 ARG A 36 10.096 14.925 -2.952 1.00 0.00 H ATOM 566 1HH2 ARG A 36 11.031 12.252 -5.012 1.00 0.00 H ATOM 567 2HH2 ARG A 36 11.589 13.475 -3.892 1.00 0.00 H ATOM 568 N GLU A 37 6.377 13.152 0.555 1.00 0.00 N ATOM 569 CA GLU A 37 6.911 13.409 1.887 1.00 0.00 C ATOM 570 C GLU A 37 6.223 12.543 2.934 1.00 0.00 C ATOM 571 O GLU A 37 6.865 12.038 3.855 1.00 0.00 O ATOM 572 CB GLU A 37 6.753 14.887 2.249 1.00 0.00 C ATOM 573 CG GLU A 37 7.352 15.273 3.594 1.00 0.00 C ATOM 574 CD GLU A 37 8.849 15.139 3.627 1.00 0.00 C ATOM 575 OE1 GLU A 37 9.450 15.144 2.580 1.00 0.00 O ATOM 576 OE2 GLU A 37 9.393 15.032 4.701 1.00 0.00 O ATOM 577 H GLU A 37 5.808 13.856 0.109 1.00 0.00 H ATOM 578 HA GLU A 37 7.976 13.174 1.884 1.00 0.00 H ATOM 579 1HB GLU A 37 7.225 15.502 1.483 1.00 0.00 H ATOM 580 2HB GLU A 37 5.694 15.145 2.269 1.00 0.00 H ATOM 581 1HG GLU A 37 7.086 16.306 3.816 1.00 0.00 H ATOM 582 2HG GLU A 37 6.919 14.641 4.368 1.00 0.00 H ATOM 583 N TRP A 38 4.914 12.373 2.785 1.00 0.00 N ATOM 584 CA TRP A 38 4.143 11.527 3.689 1.00 0.00 C ATOM 585 C TRP A 38 4.611 10.078 3.619 1.00 0.00 C ATOM 586 O TRP A 38 4.866 9.448 4.645 1.00 0.00 O ATOM 587 CB TRP A 38 2.653 11.602 3.351 1.00 0.00 C ATOM 588 CG TRP A 38 1.816 10.617 4.109 1.00 0.00 C ATOM 589 CD1 TRP A 38 1.252 10.801 5.336 1.00 0.00 C ATOM 590 CD2 TRP A 38 1.442 9.282 3.692 1.00 0.00 C ATOM 591 NE1 TRP A 38 0.557 9.678 5.710 1.00 0.00 N ATOM 592 CE2 TRP A 38 0.661 8.739 4.715 1.00 0.00 C ATOM 593 CE3 TRP A 38 1.703 8.516 2.549 1.00 0.00 C ATOM 594 CZ2 TRP A 38 0.135 7.459 4.636 1.00 0.00 C ATOM 595 CZ3 TRP A 38 1.175 7.233 2.469 1.00 0.00 C ATOM 596 CH2 TRP A 38 0.411 6.719 3.486 1.00 0.00 C ATOM 597 H TRP A 38 4.439 12.844 2.028 1.00 0.00 H ATOM 598 HA TRP A 38 4.283 11.890 4.708 1.00 0.00 H ATOM 599 1HB TRP A 38 2.282 12.605 3.565 1.00 0.00 H ATOM 600 2HB TRP A 38 2.513 11.422 2.285 1.00 0.00 H ATOM 601 HD1 TRP A 38 1.339 11.708 5.932 1.00 0.00 H ATOM 602 HE1 TRP A 38 0.051 9.560 6.576 1.00 0.00 H ATOM 603 HE3 TRP A 38 2.307 8.921 1.737 1.00 0.00 H ATOM 604 HZ2 TRP A 38 -0.474 7.032 5.433 1.00 0.00 H ATOM 605 HZ3 TRP A 38 1.384 6.643 1.576 1.00 0.00 H ATOM 606 HH2 TRP A 38 0.012 5.709 3.390 1.00 0.00 H ATOM 607 N ALA A 39 4.721 9.556 2.403 1.00 0.00 N ATOM 608 CA ALA A 39 5.125 8.170 2.198 1.00 0.00 C ATOM 609 C ALA A 39 6.530 7.920 2.730 1.00 0.00 C ATOM 610 O ALA A 39 6.797 6.890 3.349 1.00 0.00 O ATOM 611 CB ALA A 39 5.046 7.807 0.723 1.00 0.00 C ATOM 612 H ALA A 39 4.520 10.134 1.599 1.00 0.00 H ATOM 613 HA ALA A 39 4.428 7.524 2.734 1.00 0.00 H ATOM 614 1HB ALA A 39 5.350 6.769 0.586 1.00 0.00 H ATOM 615 2HB ALA A 39 4.022 7.934 0.371 1.00 0.00 H ATOM 616 3HB ALA A 39 5.708 8.457 0.153 1.00 0.00 H ATOM 617 N ARG A 40 7.427 8.870 2.485 1.00 0.00 N ATOM 618 CA ARG A 40 8.817 8.737 2.905 1.00 0.00 C ATOM 619 C ARG A 40 8.936 8.724 4.423 1.00 0.00 C ATOM 620 O ARG A 40 9.826 8.082 4.980 1.00 0.00 O ATOM 621 CB ARG A 40 9.657 9.874 2.343 1.00 0.00 C ATOM 622 CG ARG A 40 11.134 9.814 2.699 1.00 0.00 C ATOM 623 CD ARG A 40 11.758 8.545 2.245 1.00 0.00 C ATOM 624 NE ARG A 40 11.770 8.436 0.795 1.00 0.00 N ATOM 625 CZ ARG A 40 12.004 7.296 0.116 1.00 0.00 C ATOM 626 NH1 ARG A 40 12.242 6.179 0.768 1.00 0.00 N ATOM 627 NH2 ARG A 40 11.993 7.300 -1.206 1.00 0.00 N ATOM 628 H ARG A 40 7.138 9.706 1.997 1.00 0.00 H ATOM 629 HA ARG A 40 9.207 7.795 2.515 1.00 0.00 H ATOM 630 1HB ARG A 40 9.580 9.880 1.256 1.00 0.00 H ATOM 631 2HB ARG A 40 9.269 10.826 2.704 1.00 0.00 H ATOM 632 1HG ARG A 40 11.657 10.644 2.222 1.00 0.00 H ATOM 633 2HG ARG A 40 11.251 9.886 3.781 1.00 0.00 H ATOM 634 1HD ARG A 40 12.787 8.499 2.599 1.00 0.00 H ATOM 635 2HD ARG A 40 11.198 7.701 2.646 1.00 0.00 H ATOM 636 HE ARG A 40 11.591 9.274 0.258 1.00 0.00 H ATOM 637 1HH1 ARG A 40 12.250 6.176 1.778 1.00 0.00 H ATOM 638 2HH1 ARG A 40 12.417 5.325 0.259 1.00 0.00 H ATOM 639 1HH2 ARG A 40 11.810 8.158 -1.707 1.00 0.00 H ATOM 640 2HH2 ARG A 40 12.168 6.446 -1.714 1.00 0.00 H ATOM 641 N ARG A 41 8.035 9.438 5.088 1.00 0.00 N ATOM 642 CA ARG A 41 8.008 9.472 6.545 1.00 0.00 C ATOM 643 C ARG A 41 7.625 8.114 7.121 1.00 0.00 C ATOM 644 O ARG A 41 8.138 7.702 8.160 1.00 0.00 O ATOM 645 CB ARG A 41 7.025 10.524 7.038 1.00 0.00 C ATOM 646 CG ARG A 41 6.912 10.634 8.551 1.00 0.00 C ATOM 647 CD ARG A 41 8.170 11.133 9.161 1.00 0.00 C ATOM 648 NE ARG A 41 8.088 11.181 10.612 1.00 0.00 N ATOM 649 CZ ARG A 41 8.349 10.142 11.428 1.00 0.00 C ATOM 650 NH1 ARG A 41 8.709 8.983 10.922 1.00 0.00 N ATOM 651 NH2 ARG A 41 8.245 10.287 12.737 1.00 0.00 N ATOM 652 H ARG A 41 7.349 9.971 4.571 1.00 0.00 H ATOM 653 HA ARG A 41 9.004 9.735 6.903 1.00 0.00 H ATOM 654 1HB ARG A 41 7.318 11.501 6.658 1.00 0.00 H ATOM 655 2HB ARG A 41 6.031 10.305 6.648 1.00 0.00 H ATOM 656 1HG ARG A 41 6.109 11.326 8.806 1.00 0.00 H ATOM 657 2HG ARG A 41 6.692 9.652 8.972 1.00 0.00 H ATOM 658 1HD ARG A 41 8.994 10.473 8.888 1.00 0.00 H ATOM 659 2HD ARG A 41 8.376 12.139 8.798 1.00 0.00 H ATOM 660 HE ARG A 41 7.814 12.056 11.039 1.00 0.00 H ATOM 661 1HH1 ARG A 41 8.788 8.872 9.921 1.00 0.00 H ATOM 662 2HH1 ARG A 41 8.905 8.204 11.533 1.00 0.00 H ATOM 663 1HH2 ARG A 41 7.969 11.178 13.127 1.00 0.00 H ATOM 664 2HH2 ARG A 41 8.441 9.508 13.349 1.00 0.00 H ATOM 665 N LEU A 42 6.718 7.422 6.438 1.00 0.00 N ATOM 666 CA LEU A 42 6.233 6.128 6.903 1.00 0.00 C ATOM 667 C LEU A 42 7.226 5.020 6.583 1.00 0.00 C ATOM 668 O LEU A 42 7.385 4.073 7.354 1.00 0.00 O ATOM 669 CB LEU A 42 4.877 5.808 6.260 1.00 0.00 C ATOM 670 CG LEU A 42 3.645 6.325 7.015 1.00 0.00 C ATOM 671 CD1 LEU A 42 3.541 7.834 6.846 1.00 0.00 C ATOM 672 CD2 LEU A 42 2.399 5.629 6.488 1.00 0.00 C ATOM 673 H LEU A 42 6.357 7.802 5.576 1.00 0.00 H ATOM 674 HA LEU A 42 6.098 6.177 7.984 1.00 0.00 H ATOM 675 1HB LEU A 42 4.857 6.238 5.260 1.00 0.00 H ATOM 676 2HB LEU A 42 4.781 4.726 6.171 1.00 0.00 H ATOM 677 HG LEU A 42 3.755 6.115 8.079 1.00 0.00 H ATOM 678 1HD1 LEU A 42 2.666 8.201 7.382 1.00 0.00 H ATOM 679 2HD1 LEU A 42 4.437 8.308 7.249 1.00 0.00 H ATOM 680 3HD1 LEU A 42 3.446 8.076 5.788 1.00 0.00 H ATOM 681 1HD2 LEU A 42 1.523 5.995 7.025 1.00 0.00 H ATOM 682 2HD2 LEU A 42 2.287 5.839 5.424 1.00 0.00 H ATOM 683 3HD2 LEU A 42 2.492 4.553 6.637 1.00 0.00 H ATOM 684 N LEU A 43 7.895 5.143 5.442 1.00 0.00 N ATOM 685 CA LEU A 43 8.844 4.128 4.996 1.00 0.00 C ATOM 686 C LEU A 43 10.046 4.052 5.928 1.00 0.00 C ATOM 687 O LEU A 43 10.436 5.048 6.538 1.00 0.00 O ATOM 688 OXT LEU A 43 10.627 3.012 6.075 1.00 0.00 O ATOM 689 CB LEU A 43 9.314 4.433 3.568 1.00 0.00 C ATOM 690 CG LEU A 43 8.253 4.279 2.471 1.00 0.00 C ATOM 691 CD1 LEU A 43 8.791 4.841 1.162 1.00 0.00 C ATOM 692 CD2 LEU A 43 7.883 2.811 2.325 1.00 0.00 C ATOM 693 H LEU A 43 7.744 5.959 4.868 1.00 0.00 H ATOM 694 HA LEU A 43 8.340 3.161 4.995 1.00 0.00 H ATOM 695 1HB LEU A 43 9.680 5.458 3.534 1.00 0.00 H ATOM 696 2HB LEU A 43 10.142 3.766 3.325 1.00 0.00 H ATOM 697 HG LEU A 43 7.366 4.852 2.740 1.00 0.00 H ATOM 698 1HD1 LEU A 43 8.037 4.732 0.382 1.00 0.00 H ATOM 699 2HD1 LEU A 43 9.029 5.897 1.290 1.00 0.00 H ATOM 700 3HD1 LEU A 43 9.690 4.297 0.875 1.00 0.00 H ATOM 701 1HD2 LEU A 43 7.128 2.701 1.546 1.00 0.00 H ATOM 702 2HD2 LEU A 43 8.769 2.237 2.055 1.00 0.00 H ATOM 703 3HD2 LEU A 43 7.485 2.440 3.270 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE start14_0202_0001.pdb label fa_atr fa_rep fa_sol fa_intra_atr_xover4 fa_intra_rep_xover4 fa_intra_sol_xover4 lk_ball lk_ball_iso lk_ball_bridge lk_ball_bridge_uncpl fa_elec fa_intra_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun_dev fa_dun_rot fa_dun_semi p_aa_pp hxl_tors ref rama_prepro gen_bonded total weights 1 0.55 1 1 0.55 1 0.92 -0.38 -0.33 -0.33 1 1 1.25 1 1 1 1 1.25 0.48 0.69 0.76 0.78 0.61 1 1 0.5 1 NA pose -216.19 30.4198 128.215 -19.3414 16.5108 13.7835 73.0624 -84.852 -0.40464 -2.46342 -45.5074 -13.6985 0 -18.189 -5.83086 0 -1.57306 0 1.95473 5.8512 35.4523 29.6711 -16.0894 14.3848 -15.0767 -4.33297 0 -94.244 THR:NtermProteinFull_1 -4.07271 0.33289 3.27589 -0.17903 0.12748 0.06243 1.71766 -1.82235 -0.0404 -0.2772 -1.30207 -1.01928 0 0 0 0 0 0 0.13203 3e-05 0.08876 0 0 2.28925 -1.0874 0 0 -1.77403 ILE_2 -7.88542 1.47355 0.37987 -0.70906 1.13436 0.16568 1.6398 -1.89099 -0 -0 -0.53331 0.2731 0 0 0 0 0 0 -0.03955 0.58342 0.93487 0 -0.28053 0 0.73287 -0.00737 0 -4.0287 GLU_3 -4.17398 0.57888 3.15142 -0.21529 0.02796 0.29423 1.48354 -1.74915 -0 -0 -0.38632 -0.58113 0 0 0 0 0 0 -0.0151 0.06616 0 3.00868 -0.2437 0 -2.7348 -0.18102 0 -1.66962 GLU_4 -5.19427 0.78396 5.34513 -0.21277 0.02722 0.29292 2.134 -2.53293 -0.0404 -0.2772 -1.64296 -0.5629 0 0 0 0 0 0 -0.00047 0.05803 0 3.07773 -0.24981 0 -2.7348 -0.36303 0 -2.09256 ALA_5 -5.78489 0.75416 2.67097 -0.02171 0 0 2.22136 -2.44184 -0 -0 -1.21264 -0.36366 0 0 0 0 0 0 -0.05007 0 0 0 -0.29593 0 1.8394 -0.15205 0 -2.8369 LEU_6 -7.65957 0.56714 4.45234 -0.66878 1.00348 0.27282 2.5572 -2.89828 -0 -0 -0.98216 -0.0816 0 0 0 0 0 0 -0.01016 0.37891 1.31116 0 -0.19262 0 0.18072 0.35534 0 -1.41403 GLU_7 -4.16088 0.1649 4.74192 -0.21658 0.02509 0.29349 2.11147 -2.26343 -0.01844 -0.14463 -1.34953 -0.58425 0 0 0 0 0 0 -0.01368 0.12721 0 3.04779 -0.34098 0 -2.7348 0.07019 0 -1.24514 LEU_8 -6.614 1.13371 4.77557 -0.50384 0.45893 0.12711 3.02541 -2.8553 -0.01662 -0.12231 -2.9467 0.22115 0 0 0 0 0 0 -0.05851 0.69972 0.28671 0 -0.29333 0 0.18072 -0.26928 0 -2.77088 ALA_9 -6.54881 1.75164 2.81728 -0.02196 0 0 2.65155 -2.71518 -0.01037 -0.0934 -1.79902 -0.36339 0 0 0 0 0 0 0.00649 0 0 0 -0.31706 0 1.8394 -0.10475 0 -2.90759 GLU_10 -4.28262 0.17646 4.72268 -0.21459 0.03135 0.29932 1.84942 -2.13125 -0.01864 -0.1453 -1.36585 -0.58412 0 0 0 0 -0.78653 0 0.31658 0.02329 0 3.05711 -0.25358 0 -2.7348 -0.26853 0 -2.30962 GLU_11 -2.6719 0.16894 3.243 -0.21619 0.0277 0.30229 1.01676 -1.53298 -0 -0 -0.05681 -0.58791 0 0 0 0 0 0 -0.05077 0.05542 0 3.05862 -0.26447 0 -2.7348 -0.37026 0 -0.61333 ALA_12 -5.51903 1.34517 3.26751 -0.02132 0 0 2.68396 -2.55509 -0 -0 -1.65691 -0.35626 0 0 0 0 0 0 0.40044 0 0 0 -0.21527 0 1.8394 -0.0964 0 -0.88381 ASN_13 -2.41892 0.28981 2.65605 -0.386 0.0913 0.78226 0.98941 -1.40126 -0 -0 -0.29316 -0.86089 0 0 0 0 0 0 0.049 0.00181 0 1.76831 -1.04286 0 -0.93687 -0.14797 0 -0.85997 GLY_14 -1.66811 0.21408 1.97149 -9e-05 0 0 0.63065 -1.0637 -0.04971 -0.34957 -0.11007 -0.35905 0 0 0 0 0 0 0.06144 0 0 0 -1.53367 0 0.83697 -0.09012 0 -1.50945 ARG_15 -4.54633 0.58867 3.69328 -0.92167 0.22305 0.58439 1.70304 -2.10572 -0.04729 -0.26095 -1.08251 0.65414 0 0 0 0 0 0 0.23375 0.09956 2.56931 0 -0.06323 0 -1.2888 -0.11676 0 -0.08407 THR_16 -3.58653 0.34007 1.91107 -0.17288 0.11442 0.05987 0.61278 -1.32034 -0.02264 -0.16905 -0.59616 0.04184 0 0 0 0 0 0 -0.03671 0.00363 0.08172 0 0.02442 2.32752 -1.0874 -0.33062 0 -1.80498 ILE_17 -6.70846 0.74077 2.17833 -0.6498 1.32673 0.11931 2.00818 -2.07948 -0.0053 -0.0168 -1.49379 0.41253 0 0 0 0 0 0 0.18501 0.10931 0.98765 0 -0.78158 0 0.73287 -0.33937 0 -3.2739 THR_18 -2.85262 0.28486 0.86709 -0.18017 0.11285 0.0691 0.2702 -0.86776 -0.01204 -0.04739 -0.52 -0.17207 0 0 0 0 0 0 0.01494 0.03989 0.11108 0 0.1235 2.29702 -1.0874 -0.16695 0 -1.71586 VAL_19 -6.34761 1.06196 1.19355 -0.3969 0.7246 0.10663 2.03449 -1.94488 -0.0053 -0.0168 -1.33031 -0.29511 0 0 0 0 0 0 -0.01137 0.55971 1.12992 0 -0.78128 0 1.9342 -0.1233 0 -2.5078 THR_20 -4.74046 0.37445 2.412 -0.1661 0.10145 0.05789 0.90703 -1.88418 -0.00917 -0.03268 -0.99693 0.01713 0 0 0 0 0 0 0.12024 0.11436 0.15306 0 -0.02767 2.29101 -1.0874 -0.22382 0 -2.61976 ILE_21 -6.77997 1.26831 2.2646 -0.59514 1.06738 0.16672 2.23 -2.24909 -0 -0 -1.2476 0.10595 0 0 0 0 0 0 0.05646 0.42777 2.96374 0 -0.71215 0 0.73287 -0.29119 0 -0.59135 ASN_22 -2.30697 0.59784 1.93077 -0.19206 0.0317 0.32782 0.5396 -1.11764 -0.00378 -0.01067 0.37525 -1.00975 0 0 0 0 0 0 -0.06574 0.03591 0 1.84632 -0.98299 0 -0.93687 -0.51497 0 -1.45621 ASN_23 -1.87215 0.39541 1.58915 -0.19304 0.0338 0.32456 0.37318 -0.96294 -0 -0 0.05211 -1.01232 0 0 0 0 0 0 -0.00199 0.02833 0 1.79558 -0.96741 0 -0.93687 -0.30173 0 -1.65632 GLY_24 -1.9417 0.33354 2.54151 -0.0002 0 0 1.04937 -1.31586 -0.01976 -0.08146 -0.63119 -0.20096 0 0 0 0 0 0 0.1249 0 0 0 -1.06062 0 0.83697 0.73646 0 0.371 SER_25 -2.04817 0.07123 2.39109 -0.02658 0 0.06167 1.37449 -1.20814 -0.01976 -0.08146 -1.14202 -0.48947 0 0 0 0 0 0 0.09017 0.01922 0.14511 0 -0.47527 0.60512 -0.77834 0.62384 0 -0.88727 ARG_26 -4.25223 0.39988 1.92722 -1.38981 1.51928 1.42713 0.4574 -1.17454 -0 -0 -0.06743 -0.26728 0 0 0 0 0 0 0.10488 0.12484 3.75439 0 -0.20748 0 -1.2888 -0.35856 0 0.70891 ILE_27 -5.93943 0.76794 1.92624 -0.58663 1.05184 0.12677 1.8137 -1.78417 -0.00367 -0.01045 -1.63368 0.00849 0 0 0 0 0 0 -0.0666 0.17598 1.44425 0 -0.64277 0 0.73287 -0.31402 0 -2.93335 THR_28 -3.21955 0.17907 1.14289 -0.14482 0.04429 0.11274 0.26735 -0.93359 -0 -0 -0.59725 -1.22252 0 0 0 0 0 0 0.0487 0.00993 2.54323 0 0.13305 2.28712 -1.0874 -0.07861 0 -0.51537 LEU_29 -6.89003 1.2382 1.87559 -0.47601 0.43939 0.09637 1.84074 -1.88518 -0.00367 -0.01045 -1.37641 0.02366 0 0 0 0 0 0 0.40865 0.02467 0.86478 0 -0.07427 0 0.18072 0.05582 0 -3.66742 THR_30 -2.64435 0.24082 1.60937 -0.11995 0.05907 0.07419 0.39609 -0.985 -0.00614 -0.02303 0.01613 -1.16748 0 0 0 0 0 0 -0.00706 0.01433 0.05413 0 -0.5276 2.28778 -1.0874 -0.22994 0 -2.04605 ILE_31 -5.35809 0.90935 3.82017 -0.48342 0.61081 0.10245 2.3985 -2.04734 -0 -0 -0.60203 0.03874 0 0 0 0 0 0 0.10103 0.04628 0.36162 0 -0.77858 0 0.73287 -0.46074 0 -0.60841 VAL_32 -6.59918 0.96197 3.14509 -0.31367 0.28671 0.07142 2.06727 -2.48494 -0.00534 -0.02002 -1.39888 -0.07084 0 0 0 0 0 0 -0.04072 0.10951 0.07822 0 -0.27626 0 1.9342 -0.11053 0 -2.66598 GLU_33 -4.04571 0.19479 4.07023 -0.46108 0.18442 1.42601 1.55859 -2.02104 -0.023 -0.13596 -1.33484 -2.66479 0 0 0 0 0 0 -0.05476 0.04535 0 4.02087 -0.31341 0 -2.7348 -0.09926 0 -2.3884 ILE_34 -5.78186 0.94165 4.18779 -0.72148 1.68174 0.16535 2.20666 -2.22971 -0.023 -0.13596 -1.40233 0.38249 0 0 0 0 0 0 -0.06565 0.04809 0.65126 0 -0.37227 0 0.73287 -0.19005 0 0.0756 ILE_35 -9.73095 2.39898 4.23452 -0.50977 0.47267 0.1018 2.84052 -3.35437 -0 -0 -2.22339 0.05687 0 0 0 0 0 0 -0.04299 0.7655 0.57957 0 -0.41752 0 0.73287 0.23188 0 -3.86379 ARG_36 -7.06185 0.37079 6.0225 -1.08558 0.65562 0.73679 3.00465 -2.86951 -0.0002 -0.00067 -3.01725 0.54915 0 0 0 0 -0.78653 0 0.04438 0.21271 3.68409 0 -0.01485 0 -1.2888 0.32232 0 -0.52224 GLU_37 -3.66656 0.08661 4.57559 -0.63949 0.17203 1.17959 1.88578 -2.13376 -0 -0 -1.46659 -0.63043 0 0 0 0 0 0 0.14207 0.03136 0 3.32663 -0.26762 0 -2.7348 -0.04626 0 -0.18587 TRP_38 -10.6438 2.11261 2.31088 -1.33317 0.12634 0.49966 3.05866 -3.01489 -0 -0 -2.15522 -0.33615 0 0 0 0 0 0 -0.01143 0.20289 0 1.66343 -0.31621 0 1.6906 0.03633 0 -6.1095 ALA_39 -7.17488 1.24698 3.56188 -0.02163 0 0 3.18227 -3.03764 -0 -0 -2.58473 -0.35376 0 0 0 0 0 0 -0.04561 0 0 0 -0.19928 0 1.8394 0.19453 0 -3.39249 ARG_40 -5.49516 0.27371 4.74431 -1.33401 0.987 0.99827 1.665 -2.49834 -0 -0 -0.33234 0.12193 0 0 0 0 0 0 0.09891 0.0845 3.34155 0 -0.17786 0 -1.2888 -0.1687 0 1.01994 ARG_41 -3.27677 0.20802 3.6652 -1.59937 0.64737 1.54184 1.64762 -1.75208 -0 -0 -0.80112 -1.07884 0 0 0 0 0 0 -0.05308 0.00976 3.43021 0 -0.13539 0 -1.2888 -0.26301 0 0.90156 LEU_42 -6.02869 0.86535 1.82678 -0.50911 0.35085 0.11784 1.49234 -1.72747 -0 -0 -0.50538 -0.01707 0 0 0 0 0 0 -0.04334 0.414 2.97321 0 -0.27303 0 0.18072 -0.14946 0 -1.03246 LEU:CtermProteinFull_43 -5.99485 1.2307 3.12511 -0.53065 0.53048 0.23472 1.46468 -2.00861 -0 -0 0.22597 0.68762 0 0 0 0 0 0 0 0.09982 0.92874 0 0 0 0.18072 -0.03108 0 0.14338 #END_POSE_ENERGIES_TABLE start14_0202_0001.pdb score_per_res -2.34624 total_score -100.888
HEEH_KT_rd6_2710.pdb
ATOM 1 N ASP A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA ASP A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C ASP A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O ASP A 1 3.033 1.699 -0.623 1.00 0.00 O ATOM 5 CB ASP A 1 1.994 -0.762 -1.214 1.00 0.00 C ATOM 6 CG ASP A 1 1.513 -0.182 -2.538 1.00 0.00 C ATOM 7 OD1 ASP A 1 0.561 0.562 -2.526 1.00 0.00 O ATOM 8 OD2 ASP A 1 2.101 -0.490 -3.547 1.00 0.00 O ATOM 9 1H ASP A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 10 2H ASP A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 11 3H ASP A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 12 HA ASP A 1 1.804 -0.509 0.900 1.00 0.00 H ATOM 13 1HB ASP A 1 3.085 -0.745 -1.202 1.00 0.00 H ATOM 14 2HB ASP A 1 1.683 -1.805 -1.156 1.00 0.00 H ATOM 15 N LEU A 2 1.323 2.316 0.702 1.00 0.00 N ATOM 16 CA LEU A 2 1.725 3.716 0.759 1.00 0.00 C ATOM 17 C LEU A 2 2.962 3.900 1.627 1.00 0.00 C ATOM 18 O LEU A 2 3.819 4.734 1.335 1.00 0.00 O ATOM 19 CB LEU A 2 0.578 4.575 1.306 1.00 0.00 C ATOM 20 CG LEU A 2 0.813 6.091 1.284 1.00 0.00 C ATOM 21 CD1 LEU A 2 1.071 6.545 -0.146 1.00 0.00 C ATOM 22 CD2 LEU A 2 -0.397 6.801 1.873 1.00 0.00 C ATOM 23 H LEU A 2 0.502 2.018 1.210 1.00 0.00 H ATOM 24 HA LEU A 2 1.955 4.051 -0.254 1.00 0.00 H ATOM 25 1HB LEU A 2 -0.318 4.371 0.721 1.00 0.00 H ATOM 26 2HB LEU A 2 0.387 4.284 2.338 1.00 0.00 H ATOM 27 HG LEU A 2 1.697 6.330 1.875 1.00 0.00 H ATOM 28 1HD1 LEU A 2 1.239 7.622 -0.161 1.00 0.00 H ATOM 29 2HD1 LEU A 2 1.953 6.036 -0.536 1.00 0.00 H ATOM 30 3HD1 LEU A 2 0.209 6.303 -0.766 1.00 0.00 H ATOM 31 1HD2 LEU A 2 -0.229 7.878 1.858 1.00 0.00 H ATOM 32 2HD2 LEU A 2 -1.282 6.563 1.282 1.00 0.00 H ATOM 33 3HD2 LEU A 2 -0.548 6.471 2.901 1.00 0.00 H ATOM 34 N GLU A 3 3.051 3.115 2.695 1.00 0.00 N ATOM 35 CA GLU A 3 4.172 3.207 3.623 1.00 0.00 C ATOM 36 C GLU A 3 5.483 2.833 2.944 1.00 0.00 C ATOM 37 O GLU A 3 6.515 3.459 3.180 1.00 0.00 O ATOM 38 CB GLU A 3 3.937 2.301 4.834 1.00 0.00 C ATOM 39 CG GLU A 3 2.806 2.752 5.747 1.00 0.00 C ATOM 40 CD GLU A 3 1.446 2.395 5.215 1.00 0.00 C ATOM 41 OE1 GLU A 3 1.376 1.629 4.284 1.00 0.00 O ATOM 42 OE2 GLU A 3 0.476 2.889 5.739 1.00 0.00 O ATOM 43 H GLU A 3 2.323 2.436 2.869 1.00 0.00 H ATOM 44 HA GLU A 3 4.243 4.237 3.978 1.00 0.00 H ATOM 45 1HB GLU A 3 3.710 1.291 4.494 1.00 0.00 H ATOM 46 2HB GLU A 3 4.848 2.248 5.431 1.00 0.00 H ATOM 47 1HG GLU A 3 2.934 2.287 6.724 1.00 0.00 H ATOM 48 2HG GLU A 3 2.868 3.832 5.878 1.00 0.00 H ATOM 49 N GLU A 4 5.433 1.809 2.099 1.00 0.00 N ATOM 50 CA GLU A 4 6.605 1.382 1.344 1.00 0.00 C ATOM 51 C GLU A 4 6.987 2.414 0.291 1.00 0.00 C ATOM 52 O GLU A 4 8.170 2.665 0.054 1.00 0.00 O ATOM 53 CB GLU A 4 6.346 0.030 0.676 1.00 0.00 C ATOM 54 CG GLU A 4 6.186 -1.131 1.648 1.00 0.00 C ATOM 55 CD GLU A 4 5.806 -2.416 0.967 1.00 0.00 C ATOM 56 OE1 GLU A 4 5.479 -2.377 -0.195 1.00 0.00 O ATOM 57 OE2 GLU A 4 5.843 -3.439 1.609 1.00 0.00 O ATOM 58 H GLU A 4 4.562 1.314 1.977 1.00 0.00 H ATOM 59 HA GLU A 4 7.439 1.264 2.037 1.00 0.00 H ATOM 60 1HB GLU A 4 5.440 0.089 0.073 1.00 0.00 H ATOM 61 2HB GLU A 4 7.171 -0.208 0.004 1.00 0.00 H ATOM 62 1HG GLU A 4 7.125 -1.279 2.180 1.00 0.00 H ATOM 63 2HG GLU A 4 5.422 -0.874 2.381 1.00 0.00 H ATOM 64 N LEU A 5 5.980 3.010 -0.340 1.00 0.00 N ATOM 65 CA LEU A 5 6.209 4.040 -1.347 1.00 0.00 C ATOM 66 C LEU A 5 6.909 5.252 -0.744 1.00 0.00 C ATOM 67 O LEU A 5 7.893 5.749 -1.292 1.00 0.00 O ATOM 68 CB LEU A 5 4.878 4.469 -1.977 1.00 0.00 C ATOM 69 CG LEU A 5 4.953 5.659 -2.943 1.00 0.00 C ATOM 70 CD1 LEU A 5 5.892 5.321 -4.093 1.00 0.00 C ATOM 71 CD2 LEU A 5 3.558 5.986 -3.454 1.00 0.00 C ATOM 72 H LEU A 5 5.033 2.742 -0.116 1.00 0.00 H ATOM 73 HA LEU A 5 6.843 3.624 -2.130 1.00 0.00 H ATOM 74 1HB LEU A 5 4.464 3.624 -2.524 1.00 0.00 H ATOM 75 2HB LEU A 5 4.185 4.733 -1.179 1.00 0.00 H ATOM 76 HG LEU A 5 5.362 6.525 -2.422 1.00 0.00 H ATOM 77 1HD1 LEU A 5 5.945 6.167 -4.779 1.00 0.00 H ATOM 78 2HD1 LEU A 5 6.887 5.111 -3.700 1.00 0.00 H ATOM 79 3HD1 LEU A 5 5.518 4.447 -4.623 1.00 0.00 H ATOM 80 1HD2 LEU A 5 3.611 6.832 -4.140 1.00 0.00 H ATOM 81 2HD2 LEU A 5 3.149 5.121 -3.976 1.00 0.00 H ATOM 82 3HD2 LEU A 5 2.913 6.241 -2.613 1.00 0.00 H ATOM 83 N LEU A 6 6.394 5.725 0.386 1.00 0.00 N ATOM 84 CA LEU A 6 6.921 6.926 1.024 1.00 0.00 C ATOM 85 C LEU A 6 8.362 6.724 1.472 1.00 0.00 C ATOM 86 O LEU A 6 9.177 7.643 1.406 1.00 0.00 O ATOM 87 CB LEU A 6 6.054 7.309 2.230 1.00 0.00 C ATOM 88 CG LEU A 6 4.903 8.280 1.940 1.00 0.00 C ATOM 89 CD1 LEU A 6 4.210 7.875 0.646 1.00 0.00 C ATOM 90 CD2 LEU A 6 3.927 8.275 3.108 1.00 0.00 C ATOM 91 H LEU A 6 5.617 5.240 0.814 1.00 0.00 H ATOM 92 HA LEU A 6 6.890 7.743 0.303 1.00 0.00 H ATOM 93 1HB LEU A 6 5.624 6.402 2.651 1.00 0.00 H ATOM 94 2HB LEU A 6 6.692 7.768 2.985 1.00 0.00 H ATOM 95 HG LEU A 6 5.300 9.286 1.804 1.00 0.00 H ATOM 96 1HD1 LEU A 6 3.392 8.565 0.440 1.00 0.00 H ATOM 97 2HD1 LEU A 6 4.926 7.906 -0.175 1.00 0.00 H ATOM 98 3HD1 LEU A 6 3.815 6.864 0.746 1.00 0.00 H ATOM 99 1HD2 LEU A 6 3.109 8.966 2.902 1.00 0.00 H ATOM 100 2HD2 LEU A 6 3.528 7.270 3.244 1.00 0.00 H ATOM 101 3HD2 LEU A 6 4.445 8.586 4.016 1.00 0.00 H ATOM 102 N GLU A 7 8.671 5.514 1.928 1.00 0.00 N ATOM 103 CA GLU A 7 10.017 5.187 2.380 1.00 0.00 C ATOM 104 C GLU A 7 11.011 5.227 1.227 1.00 0.00 C ATOM 105 O GLU A 7 12.117 5.752 1.365 1.00 0.00 O ATOM 106 CB GLU A 7 10.038 3.805 3.037 1.00 0.00 C ATOM 107 CG GLU A 7 11.397 3.388 3.582 1.00 0.00 C ATOM 108 CD GLU A 7 11.844 4.228 4.745 1.00 0.00 C ATOM 109 OE1 GLU A 7 11.008 4.834 5.372 1.00 0.00 O ATOM 110 OE2 GLU A 7 13.023 4.264 5.008 1.00 0.00 O ATOM 111 H GLU A 7 7.954 4.804 1.962 1.00 0.00 H ATOM 112 HA GLU A 7 10.320 5.921 3.128 1.00 0.00 H ATOM 113 1HB GLU A 7 9.326 3.784 3.862 1.00 0.00 H ATOM 114 2HB GLU A 7 9.723 3.054 2.313 1.00 0.00 H ATOM 115 1HG GLU A 7 11.345 2.347 3.899 1.00 0.00 H ATOM 116 2HG GLU A 7 12.134 3.460 2.783 1.00 0.00 H ATOM 117 N ARG A 8 10.612 4.670 0.088 1.00 0.00 N ATOM 118 CA ARG A 8 11.443 4.695 -1.109 1.00 0.00 C ATOM 119 C ARG A 8 11.682 6.122 -1.584 1.00 0.00 C ATOM 120 O ARG A 8 12.777 6.463 -2.030 1.00 0.00 O ATOM 121 CB ARG A 8 10.793 3.894 -2.228 1.00 0.00 C ATOM 122 CG ARG A 8 10.821 2.386 -2.033 1.00 0.00 C ATOM 123 CD ARG A 8 10.562 1.664 -3.305 1.00 0.00 C ATOM 124 NE ARG A 8 9.282 2.032 -3.888 1.00 0.00 N ATOM 125 CZ ARG A 8 8.122 1.386 -3.656 1.00 0.00 C ATOM 126 NH1 ARG A 8 8.099 0.344 -2.855 1.00 0.00 N ATOM 127 NH2 ARG A 8 7.009 1.799 -4.235 1.00 0.00 N ATOM 128 H ARG A 8 9.709 4.219 0.052 1.00 0.00 H ATOM 129 HA ARG A 8 12.404 4.240 -0.872 1.00 0.00 H ATOM 130 1HB ARG A 8 9.751 4.194 -2.332 1.00 0.00 H ATOM 131 2HB ARG A 8 11.293 4.114 -3.171 1.00 0.00 H ATOM 132 1HG ARG A 8 11.800 2.085 -1.661 1.00 0.00 H ATOM 133 2HG ARG A 8 10.054 2.098 -1.313 1.00 0.00 H ATOM 134 1HD ARG A 8 11.345 1.902 -4.025 1.00 0.00 H ATOM 135 2HD ARG A 8 10.556 0.590 -3.119 1.00 0.00 H ATOM 136 HE ARG A 8 9.260 2.829 -4.510 1.00 0.00 H ATOM 137 1HH1 ARG A 8 8.950 0.028 -2.412 1.00 0.00 H ATOM 138 2HH1 ARG A 8 7.230 -0.140 -2.682 1.00 0.00 H ATOM 139 1HH2 ARG A 8 7.027 2.600 -4.852 1.00 0.00 H ATOM 140 2HH2 ARG A 8 6.140 1.315 -4.062 1.00 0.00 H ATOM 141 N ILE A 9 10.650 6.953 -1.487 1.00 0.00 N ATOM 142 CA ILE A 9 10.744 8.345 -1.913 1.00 0.00 C ATOM 143 C ILE A 9 11.736 9.118 -1.054 1.00 0.00 C ATOM 144 O ILE A 9 12.588 9.840 -1.571 1.00 0.00 O ATOM 145 CB ILE A 9 9.367 9.032 -1.854 1.00 0.00 C ATOM 146 CG1 ILE A 9 8.427 8.436 -2.904 1.00 0.00 C ATOM 147 CG2 ILE A 9 9.513 10.533 -2.055 1.00 0.00 C ATOM 148 CD1 ILE A 9 6.975 8.805 -2.704 1.00 0.00 C ATOM 149 H ILE A 9 9.779 6.614 -1.108 1.00 0.00 H ATOM 150 HA ILE A 9 11.087 8.368 -2.949 1.00 0.00 H ATOM 151 HB ILE A 9 8.911 8.848 -0.882 1.00 0.00 H ATOM 152 1HG1 ILE A 9 8.731 8.770 -3.896 1.00 0.00 H ATOM 153 2HG1 ILE A 9 8.506 7.349 -2.889 1.00 0.00 H ATOM 154 1HG2 ILE A 9 8.530 11.002 -2.010 1.00 0.00 H ATOM 155 2HG2 ILE A 9 10.147 10.945 -1.272 1.00 0.00 H ATOM 156 3HG2 ILE A 9 9.964 10.727 -3.028 1.00 0.00 H ATOM 157 1HD1 ILE A 9 6.371 8.345 -3.487 1.00 0.00 H ATOM 158 2HD1 ILE A 9 6.639 8.448 -1.730 1.00 0.00 H ATOM 159 3HD1 ILE A 9 6.865 9.888 -2.751 1.00 0.00 H ATOM 160 N LYS A 10 11.619 8.963 0.260 1.00 0.00 N ATOM 161 CA LYS A 10 12.507 9.646 1.194 1.00 0.00 C ATOM 162 C LYS A 10 13.958 9.243 0.971 1.00 0.00 C ATOM 163 O LYS A 10 14.855 10.085 0.984 1.00 0.00 O ATOM 164 CB LYS A 10 12.095 9.351 2.637 1.00 0.00 C ATOM 165 CG LYS A 10 12.932 10.067 3.689 1.00 0.00 C ATOM 166 CD LYS A 10 12.464 9.724 5.096 1.00 0.00 C ATOM 167 CE LYS A 10 13.301 10.436 6.148 1.00 0.00 C ATOM 168 NZ LYS A 10 12.881 10.077 7.530 1.00 0.00 N ATOM 169 H LYS A 10 10.898 8.356 0.622 1.00 0.00 H ATOM 170 HA LYS A 10 12.414 10.721 1.036 1.00 0.00 H ATOM 171 1HB LYS A 10 11.054 9.640 2.786 1.00 0.00 H ATOM 172 2HB LYS A 10 12.167 8.279 2.825 1.00 0.00 H ATOM 173 1HG LYS A 10 13.978 9.775 3.583 1.00 0.00 H ATOM 174 2HG LYS A 10 12.858 11.144 3.543 1.00 0.00 H ATOM 175 1HD LYS A 10 11.420 10.018 5.213 1.00 0.00 H ATOM 176 2HD LYS A 10 12.539 8.648 5.252 1.00 0.00 H ATOM 177 1HE LYS A 10 14.349 10.171 6.019 1.00 0.00 H ATOM 178 2HE LYS A 10 13.204 11.515 6.021 1.00 0.00 H ATOM 179 1HZ LYS A 10 13.459 10.570 8.196 1.00 0.00 H ATOM 180 2HZ LYS A 10 11.914 10.336 7.667 1.00 0.00 H ATOM 181 3HZ LYS A 10 12.985 9.082 7.665 1.00 0.00 H ATOM 182 N ARG A 11 14.182 7.949 0.766 1.00 0.00 N ATOM 183 CA ARG A 11 15.534 7.417 0.638 1.00 0.00 C ATOM 184 C ARG A 11 16.213 7.933 -0.625 1.00 0.00 C ATOM 185 O ARG A 11 17.359 8.379 -0.587 1.00 0.00 O ATOM 186 CB ARG A 11 15.511 5.896 0.612 1.00 0.00 C ATOM 187 CG ARG A 11 16.873 5.238 0.458 1.00 0.00 C ATOM 188 CD ARG A 11 17.733 5.470 1.646 1.00 0.00 C ATOM 189 NE ARG A 11 19.061 4.904 1.473 1.00 0.00 N ATOM 190 CZ ARG A 11 20.095 5.543 0.893 1.00 0.00 C ATOM 191 NH1 ARG A 11 19.940 6.766 0.436 1.00 0.00 N ATOM 192 NH2 ARG A 11 21.267 4.940 0.783 1.00 0.00 N ATOM 193 H ARG A 11 13.397 7.318 0.697 1.00 0.00 H ATOM 194 HA ARG A 11 16.115 7.738 1.503 1.00 0.00 H ATOM 195 1HB ARG A 11 15.068 5.524 1.535 1.00 0.00 H ATOM 196 2HB ARG A 11 14.884 5.556 -0.212 1.00 0.00 H ATOM 197 1HG ARG A 11 16.745 4.163 0.331 1.00 0.00 H ATOM 198 2HG ARG A 11 17.378 5.649 -0.417 1.00 0.00 H ATOM 199 1HD ARG A 11 17.838 6.541 1.815 1.00 0.00 H ATOM 200 2HD ARG A 11 17.277 5.008 2.521 1.00 0.00 H ATOM 201 HE ARG A 11 19.219 3.964 1.812 1.00 0.00 H ATOM 202 1HH1 ARG A 11 19.045 7.226 0.520 1.00 0.00 H ATOM 203 2HH1 ARG A 11 20.715 7.245 0.002 1.00 0.00 H ATOM 204 1HH2 ARG A 11 21.386 4.000 1.134 1.00 0.00 H ATOM 205 2HH2 ARG A 11 22.041 5.419 0.348 1.00 0.00 H ATOM 206 N GLU A 12 15.497 7.870 -1.742 1.00 0.00 N ATOM 207 CA GLU A 12 16.062 8.235 -3.036 1.00 0.00 C ATOM 208 C GLU A 12 16.234 9.745 -3.154 1.00 0.00 C ATOM 209 O GLU A 12 17.280 10.228 -3.588 1.00 0.00 O ATOM 210 CB GLU A 12 15.173 7.722 -4.171 1.00 0.00 C ATOM 211 CG GLU A 12 15.765 7.898 -5.562 1.00 0.00 C ATOM 212 CD GLU A 12 16.962 7.021 -5.804 1.00 0.00 C ATOM 213 OE1 GLU A 12 17.105 6.040 -5.114 1.00 0.00 O ATOM 214 OE2 GLU A 12 17.734 7.332 -6.680 1.00 0.00 O ATOM 215 H GLU A 12 14.536 7.561 -1.695 1.00 0.00 H ATOM 216 HA GLU A 12 17.040 7.764 -3.131 1.00 0.00 H ATOM 217 1HB GLU A 12 14.973 6.660 -4.024 1.00 0.00 H ATOM 218 2HB GLU A 12 14.216 8.242 -4.146 1.00 0.00 H ATOM 219 1HG GLU A 12 15.002 7.664 -6.303 1.00 0.00 H ATOM 220 2HG GLU A 12 16.053 8.941 -5.693 1.00 0.00 H ATOM 221 N GLY A 13 15.200 10.485 -2.769 1.00 0.00 N ATOM 222 CA GLY A 13 15.261 11.942 -2.765 1.00 0.00 C ATOM 223 C GLY A 13 15.160 12.501 -4.178 1.00 0.00 C ATOM 224 O GLY A 13 15.708 13.562 -4.476 1.00 0.00 O ATOM 225 H GLY A 13 14.351 10.027 -2.470 1.00 0.00 H ATOM 226 1HA GLY A 13 14.448 12.338 -2.155 1.00 0.00 H ATOM 227 2HA GLY A 13 16.194 12.266 -2.307 1.00 0.00 H ATOM 228 N THR A 14 14.459 11.780 -5.047 1.00 0.00 N ATOM 229 CA THR A 14 14.322 12.180 -6.441 1.00 0.00 C ATOM 230 C THR A 14 13.003 12.905 -6.679 1.00 0.00 C ATOM 231 O THR A 14 12.231 13.132 -5.748 1.00 0.00 O ATOM 232 CB THR A 14 14.420 10.963 -7.380 1.00 0.00 C ATOM 233 OG1 THR A 14 14.510 11.411 -8.739 1.00 0.00 O ATOM 234 CG2 THR A 14 13.199 10.070 -7.224 1.00 0.00 C ATOM 235 H THR A 14 14.008 10.932 -4.731 1.00 0.00 H ATOM 236 HA THR A 14 15.142 12.855 -6.689 1.00 0.00 H ATOM 237 HB THR A 14 15.316 10.391 -7.141 1.00 0.00 H ATOM 238 HG1 THR A 14 15.415 11.668 -8.932 1.00 0.00 H ATOM 239 1HG2 THR A 14 13.286 9.215 -7.894 1.00 0.00 H ATOM 240 2HG2 THR A 14 13.135 9.718 -6.194 1.00 0.00 H ATOM 241 3HG2 THR A 14 12.301 10.634 -7.471 1.00 0.00 H ATOM 242 N GLU A 15 12.750 13.266 -7.933 1.00 0.00 N ATOM 243 CA GLU A 15 11.541 13.998 -8.291 1.00 0.00 C ATOM 244 C GLU A 15 10.328 13.079 -8.316 1.00 0.00 C ATOM 245 O GLU A 15 10.334 12.046 -8.986 1.00 0.00 O ATOM 246 CB GLU A 15 11.710 14.673 -9.653 1.00 0.00 C ATOM 247 CG GLU A 15 10.525 15.526 -10.083 1.00 0.00 C ATOM 248 CD GLU A 15 10.749 16.217 -11.399 1.00 0.00 C ATOM 249 OE1 GLU A 15 11.810 16.067 -11.955 1.00 0.00 O ATOM 250 OE2 GLU A 15 9.856 16.897 -11.850 1.00 0.00 O ATOM 251 H GLU A 15 13.413 13.026 -8.657 1.00 0.00 H ATOM 252 HA GLU A 15 11.375 14.776 -7.545 1.00 0.00 H ATOM 253 1HB GLU A 15 12.593 15.312 -9.636 1.00 0.00 H ATOM 254 2HB GLU A 15 11.870 13.914 -10.419 1.00 0.00 H ATOM 255 1HG GLU A 15 9.644 14.891 -10.165 1.00 0.00 H ATOM 256 2HG GLU A 15 10.330 16.273 -9.315 1.00 0.00 H ATOM 257 N VAL A 16 9.288 13.459 -7.582 1.00 0.00 N ATOM 258 CA VAL A 16 8.116 12.607 -7.413 1.00 0.00 C ATOM 259 C VAL A 16 6.829 13.419 -7.494 1.00 0.00 C ATOM 260 O VAL A 16 6.723 14.493 -6.901 1.00 0.00 O ATOM 261 CB VAL A 16 8.176 11.879 -6.058 1.00 0.00 C ATOM 262 CG1 VAL A 16 6.907 11.071 -5.831 1.00 0.00 C ATOM 263 CG2 VAL A 16 9.404 10.982 -6.006 1.00 0.00 C ATOM 264 H VAL A 16 9.309 14.361 -7.130 1.00 0.00 H ATOM 265 HA VAL A 16 8.111 11.864 -8.212 1.00 0.00 H ATOM 266 HB VAL A 16 8.233 12.619 -5.260 1.00 0.00 H ATOM 267 1HG1 VAL A 16 6.967 10.563 -4.868 1.00 0.00 H ATOM 268 2HG1 VAL A 16 6.045 11.738 -5.836 1.00 0.00 H ATOM 269 3HG1 VAL A 16 6.800 10.331 -6.624 1.00 0.00 H ATOM 270 1HG2 VAL A 16 9.440 10.470 -5.044 1.00 0.00 H ATOM 271 2HG2 VAL A 16 9.350 10.245 -6.807 1.00 0.00 H ATOM 272 3HG2 VAL A 16 10.302 11.587 -6.129 1.00 0.00 H ATOM 273 N ILE A 17 5.854 12.900 -8.231 1.00 0.00 N ATOM 274 CA ILE A 17 4.512 13.470 -8.238 1.00 0.00 C ATOM 275 C ILE A 17 3.482 12.465 -7.740 1.00 0.00 C ATOM 276 O ILE A 17 3.323 11.388 -8.316 1.00 0.00 O ATOM 277 CB ILE A 17 4.124 13.944 -9.651 1.00 0.00 C ATOM 278 CG1 ILE A 17 5.165 14.930 -10.188 1.00 0.00 C ATOM 279 CG2 ILE A 17 2.742 14.578 -9.639 1.00 0.00 C ATOM 280 CD1 ILE A 17 5.267 16.207 -9.385 1.00 0.00 C ATOM 281 H ILE A 17 6.046 12.088 -8.801 1.00 0.00 H ATOM 282 HA ILE A 17 4.502 14.338 -7.578 1.00 0.00 H ATOM 283 HB ILE A 17 4.117 13.093 -10.331 1.00 0.00 H ATOM 284 1HG1 ILE A 17 6.145 14.454 -10.199 1.00 0.00 H ATOM 285 2HG1 ILE A 17 4.920 15.194 -11.217 1.00 0.00 H ATOM 286 1HG2 ILE A 17 2.484 14.908 -10.645 1.00 0.00 H ATOM 287 2HG2 ILE A 17 2.010 13.848 -9.298 1.00 0.00 H ATOM 288 3HG2 ILE A 17 2.741 15.435 -8.965 1.00 0.00 H ATOM 289 1HD1 ILE A 17 6.025 16.855 -9.827 1.00 0.00 H ATOM 290 2HD1 ILE A 17 4.304 16.718 -9.391 1.00 0.00 H ATOM 291 3HD1 ILE A 17 5.547 15.970 -8.360 1.00 0.00 H ATOM 292 N ILE A 18 2.787 12.822 -6.666 1.00 0.00 N ATOM 293 CA ILE A 18 1.692 12.004 -6.156 1.00 0.00 C ATOM 294 C ILE A 18 0.447 12.845 -5.906 1.00 0.00 C ATOM 295 O ILE A 18 0.523 13.927 -5.324 1.00 0.00 O ATOM 296 CB ILE A 18 2.100 11.289 -4.855 1.00 0.00 C ATOM 297 CG1 ILE A 18 3.210 10.271 -5.130 1.00 0.00 C ATOM 298 CG2 ILE A 18 0.896 10.611 -4.221 1.00 0.00 C ATOM 299 CD1 ILE A 18 3.748 9.603 -3.886 1.00 0.00 C ATOM 300 H ILE A 18 3.021 13.681 -6.191 1.00 0.00 H ATOM 301 HA ILE A 18 1.455 11.241 -6.898 1.00 0.00 H ATOM 302 HB ILE A 18 2.507 12.016 -4.153 1.00 0.00 H ATOM 303 1HG1 ILE A 18 2.835 9.496 -5.799 1.00 0.00 H ATOM 304 2HG1 ILE A 18 4.039 10.764 -5.637 1.00 0.00 H ATOM 305 1HG2 ILE A 18 1.202 10.110 -3.302 1.00 0.00 H ATOM 306 2HG2 ILE A 18 0.137 11.357 -3.991 1.00 0.00 H ATOM 307 3HG2 ILE A 18 0.485 9.877 -4.914 1.00 0.00 H ATOM 308 1HD1 ILE A 18 4.531 8.895 -4.162 1.00 0.00 H ATOM 309 2HD1 ILE A 18 4.162 10.358 -3.217 1.00 0.00 H ATOM 310 3HD1 ILE A 18 2.942 9.072 -3.380 1.00 0.00 H ATOM 311 N ILE A 19 -0.700 12.341 -6.349 1.00 0.00 N ATOM 312 CA ILE A 19 -1.973 13.015 -6.119 1.00 0.00 C ATOM 313 C ILE A 19 -2.850 12.221 -5.159 1.00 0.00 C ATOM 314 O ILE A 19 -3.192 11.069 -5.424 1.00 0.00 O ATOM 315 CB ILE A 19 -2.726 13.232 -7.444 1.00 0.00 C ATOM 316 CG1 ILE A 19 -1.870 14.046 -8.418 1.00 0.00 C ATOM 317 CG2 ILE A 19 -4.056 13.925 -7.192 1.00 0.00 C ATOM 318 CD1 ILE A 19 -2.420 14.088 -9.826 1.00 0.00 C ATOM 319 H ILE A 19 -0.690 11.469 -6.859 1.00 0.00 H ATOM 320 HA ILE A 19 -1.772 13.993 -5.682 1.00 0.00 H ATOM 321 HB ILE A 19 -2.913 12.269 -7.919 1.00 0.00 H ATOM 322 1HG1 ILE A 19 -1.781 15.070 -8.056 1.00 0.00 H ATOM 323 2HG1 ILE A 19 -0.865 13.626 -8.458 1.00 0.00 H ATOM 324 1HG2 ILE A 19 -4.576 14.071 -8.139 1.00 0.00 H ATOM 325 2HG2 ILE A 19 -4.668 13.309 -6.534 1.00 0.00 H ATOM 326 3HG2 ILE A 19 -3.879 14.892 -6.722 1.00 0.00 H ATOM 327 1HD1 ILE A 19 -1.759 14.683 -10.457 1.00 0.00 H ATOM 328 2HD1 ILE A 19 -2.485 13.075 -10.222 1.00 0.00 H ATOM 329 3HD1 ILE A 19 -3.412 14.538 -9.815 1.00 0.00 H ATOM 330 N ILE A 20 -3.210 12.845 -4.043 1.00 0.00 N ATOM 331 CA ILE A 20 -4.045 12.196 -3.038 1.00 0.00 C ATOM 332 C ILE A 20 -5.331 12.976 -2.803 1.00 0.00 C ATOM 333 O ILE A 20 -5.304 14.101 -2.304 1.00 0.00 O ATOM 334 CB ILE A 20 -3.285 12.046 -1.707 1.00 0.00 C ATOM 335 CG1 ILE A 20 -4.165 11.347 -0.667 1.00 0.00 C ATOM 336 CG2 ILE A 20 -2.830 13.404 -1.198 1.00 0.00 C ATOM 337 CD1 ILE A 20 -3.405 10.858 0.545 1.00 0.00 C ATOM 338 H ILE A 20 -2.900 13.793 -3.887 1.00 0.00 H ATOM 339 HA ILE A 20 -4.301 11.197 -3.394 1.00 0.00 H ATOM 340 HB ILE A 20 -2.411 11.413 -1.857 1.00 0.00 H ATOM 341 1HG1 ILE A 20 -4.942 12.031 -0.329 1.00 0.00 H ATOM 342 2HG1 ILE A 20 -4.661 10.491 -1.125 1.00 0.00 H ATOM 343 1HG2 ILE A 20 -2.296 13.280 -0.257 1.00 0.00 H ATOM 344 2HG2 ILE A 20 -2.170 13.865 -1.932 1.00 0.00 H ATOM 345 3HG2 ILE A 20 -3.699 14.044 -1.040 1.00 0.00 H ATOM 346 1HD1 ILE A 20 -4.096 10.374 1.237 1.00 0.00 H ATOM 347 2HD1 ILE A 20 -2.643 10.143 0.233 1.00 0.00 H ATOM 348 3HD1 ILE A 20 -2.929 11.703 1.041 1.00 0.00 H ATOM 349 N ASN A 21 -6.458 12.373 -3.166 1.00 0.00 N ATOM 350 CA ASN A 21 -7.761 12.991 -2.956 1.00 0.00 C ATOM 351 C ASN A 21 -7.827 14.369 -3.600 1.00 0.00 C ATOM 352 O ASN A 21 -8.409 15.300 -3.041 1.00 0.00 O ATOM 353 CB ASN A 21 -8.077 13.078 -1.474 1.00 0.00 C ATOM 354 CG ASN A 21 -8.090 11.731 -0.805 1.00 0.00 C ATOM 355 OD1 ASN A 21 -8.509 10.733 -1.402 1.00 0.00 O ATOM 356 ND2 ASN A 21 -7.640 11.685 0.422 1.00 0.00 N ATOM 357 H ASN A 21 -6.410 11.461 -3.599 1.00 0.00 H ATOM 358 HA ASN A 21 -8.520 12.372 -3.437 1.00 0.00 H ATOM 359 1HB ASN A 21 -7.337 13.709 -0.980 1.00 0.00 H ATOM 360 2HB ASN A 21 -9.051 13.548 -1.337 1.00 0.00 H ATOM 361 1HD2 ASN A 21 -7.625 10.815 0.917 1.00 0.00 H ATOM 362 2HD2 ASN A 21 -7.311 12.518 0.866 1.00 0.00 H ATOM 363 N GLY A 22 -7.230 14.493 -4.781 1.00 0.00 N ATOM 364 CA GLY A 22 -7.317 15.724 -5.557 1.00 0.00 C ATOM 365 C GLY A 22 -6.167 16.668 -5.226 1.00 0.00 C ATOM 366 O GLY A 22 -5.988 17.695 -5.879 1.00 0.00 O ATOM 367 H GLY A 22 -6.701 13.716 -5.149 1.00 0.00 H ATOM 368 1HA GLY A 22 -7.302 15.485 -6.620 1.00 0.00 H ATOM 369 2HA GLY A 22 -8.267 16.217 -5.352 1.00 0.00 H ATOM 370 N LEU A 23 -5.391 16.311 -4.209 1.00 0.00 N ATOM 371 CA LEU A 23 -4.269 17.136 -3.776 1.00 0.00 C ATOM 372 C LEU A 23 -2.971 16.689 -4.436 1.00 0.00 C ATOM 373 O LEU A 23 -2.439 15.624 -4.123 1.00 0.00 O ATOM 374 CB LEU A 23 -4.123 17.073 -2.250 1.00 0.00 C ATOM 375 CG LEU A 23 -3.194 18.122 -1.627 1.00 0.00 C ATOM 376 CD1 LEU A 23 -3.501 18.255 -0.141 1.00 0.00 C ATOM 377 CD2 LEU A 23 -1.745 17.716 -1.852 1.00 0.00 C ATOM 378 H LEU A 23 -5.583 15.448 -3.723 1.00 0.00 H ATOM 379 HA LEU A 23 -4.469 18.170 -4.061 1.00 0.00 H ATOM 380 1HB LEU A 23 -5.108 17.194 -1.801 1.00 0.00 H ATOM 381 2HB LEU A 23 -3.741 16.089 -1.978 1.00 0.00 H ATOM 382 HG LEU A 23 -3.376 19.091 -2.092 1.00 0.00 H ATOM 383 1HD1 LEU A 23 -2.841 19.001 0.302 1.00 0.00 H ATOM 384 2HD1 LEU A 23 -4.538 18.565 -0.010 1.00 0.00 H ATOM 385 3HD1 LEU A 23 -3.344 17.295 0.349 1.00 0.00 H ATOM 386 1HD2 LEU A 23 -1.085 18.463 -1.409 1.00 0.00 H ATOM 387 2HD2 LEU A 23 -1.562 16.748 -1.385 1.00 0.00 H ATOM 388 3HD2 LEU A 23 -1.549 17.646 -2.922 1.00 0.00 H ATOM 389 N ARG A 24 -2.465 17.510 -5.350 1.00 0.00 N ATOM 390 CA ARG A 24 -1.258 17.174 -6.098 1.00 0.00 C ATOM 391 C ARG A 24 -0.007 17.616 -5.350 1.00 0.00 C ATOM 392 O ARG A 24 0.172 18.800 -5.065 1.00 0.00 O ATOM 393 CB ARG A 24 -1.281 17.826 -7.472 1.00 0.00 C ATOM 394 CG ARG A 24 -0.083 17.506 -8.352 1.00 0.00 C ATOM 395 CD ARG A 24 -0.256 18.036 -9.729 1.00 0.00 C ATOM 396 NE ARG A 24 0.865 17.688 -10.588 1.00 0.00 N ATOM 397 CZ ARG A 24 1.998 18.409 -10.698 1.00 0.00 C ATOM 398 NH1 ARG A 24 2.145 19.512 -9.998 1.00 0.00 N ATOM 399 NH2 ARG A 24 2.961 18.007 -11.509 1.00 0.00 N ATOM 400 H ARG A 24 -2.928 18.389 -5.532 1.00 0.00 H ATOM 401 HA ARG A 24 -1.223 16.092 -6.230 1.00 0.00 H ATOM 402 1HB ARG A 24 -2.176 17.513 -8.008 1.00 0.00 H ATOM 403 2HB ARG A 24 -1.328 18.909 -7.361 1.00 0.00 H ATOM 404 1HG ARG A 24 0.814 17.953 -7.922 1.00 0.00 H ATOM 405 2HG ARG A 24 0.044 16.425 -8.414 1.00 0.00 H ATOM 406 1HD ARG A 24 -1.163 17.621 -10.167 1.00 0.00 H ATOM 407 2HD ARG A 24 -0.333 19.122 -9.693 1.00 0.00 H ATOM 408 HE ARG A 24 0.788 16.845 -11.142 1.00 0.00 H ATOM 409 1HH1 ARG A 24 1.409 19.819 -9.378 1.00 0.00 H ATOM 410 2HH1 ARG A 24 2.994 20.052 -10.080 1.00 0.00 H ATOM 411 1HH2 ARG A 24 2.847 17.159 -12.047 1.00 0.00 H ATOM 412 2HH2 ARG A 24 3.809 18.547 -11.591 1.00 0.00 H ATOM 413 N ILE A 25 0.856 16.657 -5.034 1.00 0.00 N ATOM 414 CA ILE A 25 2.080 16.941 -4.294 1.00 0.00 C ATOM 415 C ILE A 25 3.292 16.948 -5.215 1.00 0.00 C ATOM 416 O ILE A 25 3.605 15.942 -5.854 1.00 0.00 O ATOM 417 CB ILE A 25 2.294 15.910 -3.171 1.00 0.00 C ATOM 418 CG1 ILE A 25 1.061 15.843 -2.266 1.00 0.00 C ATOM 419 CG2 ILE A 25 3.534 16.256 -2.361 1.00 0.00 C ATOM 420 CD1 ILE A 25 1.069 14.673 -1.308 1.00 0.00 C ATOM 421 H ILE A 25 0.661 15.706 -5.314 1.00 0.00 H ATOM 422 HA ILE A 25 1.985 17.925 -3.834 1.00 0.00 H ATOM 423 HB ILE A 25 2.420 14.919 -3.605 1.00 0.00 H ATOM 424 1HG1 ILE A 25 0.987 16.760 -1.683 1.00 0.00 H ATOM 425 2HG1 ILE A 25 0.162 15.774 -2.879 1.00 0.00 H ATOM 426 1HG2 ILE A 25 3.670 15.518 -1.571 1.00 0.00 H ATOM 427 2HG2 ILE A 25 4.406 16.254 -3.013 1.00 0.00 H ATOM 428 3HG2 ILE A 25 3.415 17.245 -1.917 1.00 0.00 H ATOM 429 1HD1 ILE A 25 0.163 14.693 -0.702 1.00 0.00 H ATOM 430 2HD1 ILE A 25 1.107 13.741 -1.873 1.00 0.00 H ATOM 431 3HD1 ILE A 25 1.941 14.740 -0.660 1.00 0.00 H ATOM 432 N GLU A 26 3.973 18.087 -5.282 1.00 0.00 N ATOM 433 CA GLU A 26 5.181 18.211 -6.089 1.00 0.00 C ATOM 434 C GLU A 26 6.432 18.146 -5.222 1.00 0.00 C ATOM 435 O GLU A 26 6.712 19.063 -4.448 1.00 0.00 O ATOM 436 CB GLU A 26 5.163 19.523 -6.877 1.00 0.00 C ATOM 437 CG GLU A 26 6.379 19.740 -7.765 1.00 0.00 C ATOM 438 CD GLU A 26 6.274 20.980 -8.609 1.00 0.00 C ATOM 439 OE1 GLU A 26 5.262 21.636 -8.544 1.00 0.00 O ATOM 440 OE2 GLU A 26 7.208 21.272 -9.319 1.00 0.00 O ATOM 441 H GLU A 26 3.646 18.887 -4.759 1.00 0.00 H ATOM 442 HA GLU A 26 5.207 17.387 -6.803 1.00 0.00 H ATOM 443 1HB GLU A 26 4.276 19.555 -7.510 1.00 0.00 H ATOM 444 2HB GLU A 26 5.100 20.363 -6.184 1.00 0.00 H ATOM 445 1HG GLU A 26 7.266 19.816 -7.137 1.00 0.00 H ATOM 446 2HG GLU A 26 6.501 18.874 -8.414 1.00 0.00 H ATOM 447 N LEU A 27 7.181 17.057 -5.355 1.00 0.00 N ATOM 448 CA LEU A 27 8.396 16.862 -4.571 1.00 0.00 C ATOM 449 C LEU A 27 9.640 17.108 -5.414 1.00 0.00 C ATOM 450 O LEU A 27 9.837 16.471 -6.449 1.00 0.00 O ATOM 451 CB LEU A 27 8.433 15.441 -3.996 1.00 0.00 C ATOM 452 CG LEU A 27 9.618 15.128 -3.072 1.00 0.00 C ATOM 453 CD1 LEU A 27 9.192 14.105 -2.028 1.00 0.00 C ATOM 454 CD2 LEU A 27 10.784 14.611 -3.901 1.00 0.00 C ATOM 455 H LEU A 27 6.904 16.346 -6.016 1.00 0.00 H ATOM 456 HA LEU A 27 8.390 17.571 -3.742 1.00 0.00 H ATOM 457 1HB LEU A 27 7.518 15.272 -3.430 1.00 0.00 H ATOM 458 2HB LEU A 27 8.461 14.732 -4.823 1.00 0.00 H ATOM 459 HG LEU A 27 9.919 16.035 -2.547 1.00 0.00 H ATOM 460 1HD1 LEU A 27 10.033 13.883 -1.372 1.00 0.00 H ATOM 461 2HD1 LEU A 27 8.369 14.509 -1.438 1.00 0.00 H ATOM 462 3HD1 LEU A 27 8.868 13.191 -2.525 1.00 0.00 H ATOM 463 1HD2 LEU A 27 11.626 14.389 -3.245 1.00 0.00 H ATOM 464 2HD2 LEU A 27 10.484 13.703 -4.425 1.00 0.00 H ATOM 465 3HD2 LEU A 27 11.079 15.369 -4.627 1.00 0.00 H ATOM 466 N ARG A 28 10.480 18.035 -4.964 1.00 0.00 N ATOM 467 CA ARG A 28 11.674 18.413 -5.709 1.00 0.00 C ATOM 468 C ARG A 28 12.868 17.556 -5.308 1.00 0.00 C ATOM 469 O ARG A 28 12.963 17.102 -4.169 1.00 0.00 O ATOM 470 CB ARG A 28 12.006 19.880 -5.480 1.00 0.00 C ATOM 471 CG ARG A 28 11.047 20.862 -6.134 1.00 0.00 C ATOM 472 CD ARG A 28 9.920 21.212 -5.232 1.00 0.00 C ATOM 473 NE ARG A 28 10.350 22.052 -4.126 1.00 0.00 N ATOM 474 CZ ARG A 28 9.637 22.263 -3.003 1.00 0.00 C ATOM 475 NH1 ARG A 28 8.463 21.690 -2.852 1.00 0.00 N ATOM 476 NH2 ARG A 28 10.117 23.045 -2.052 1.00 0.00 N ATOM 477 H ARG A 28 10.285 18.489 -4.084 1.00 0.00 H ATOM 478 HA ARG A 28 11.480 18.266 -6.773 1.00 0.00 H ATOM 479 1HB ARG A 28 12.013 20.088 -4.411 1.00 0.00 H ATOM 480 2HB ARG A 28 13.005 20.091 -5.861 1.00 0.00 H ATOM 481 1HG ARG A 28 11.581 21.779 -6.387 1.00 0.00 H ATOM 482 2HG ARG A 28 10.636 20.420 -7.042 1.00 0.00 H ATOM 483 1HD ARG A 28 9.159 21.753 -5.794 1.00 0.00 H ATOM 484 2HD ARG A 28 9.487 20.301 -4.820 1.00 0.00 H ATOM 485 HE ARG A 28 11.248 22.510 -4.205 1.00 0.00 H ATOM 486 1HH1 ARG A 28 8.096 21.091 -3.579 1.00 0.00 H ATOM 487 2HH1 ARG A 28 7.929 21.847 -2.010 1.00 0.00 H ATOM 488 1HH2 ARG A 28 11.019 23.486 -2.168 1.00 0.00 H ATOM 489 2HH2 ARG A 28 9.582 23.203 -1.211 1.00 0.00 H ATOM 490 N GLU A 29 13.778 17.340 -6.252 1.00 0.00 N ATOM 491 CA GLU A 29 14.968 16.536 -5.998 1.00 0.00 C ATOM 492 C GLU A 29 15.915 17.242 -5.037 1.00 0.00 C ATOM 493 O GLU A 29 16.212 18.426 -5.199 1.00 0.00 O ATOM 494 CB GLU A 29 15.694 16.229 -7.310 1.00 0.00 C ATOM 495 CG GLU A 29 16.983 15.436 -7.144 1.00 0.00 C ATOM 496 CD GLU A 29 17.651 15.125 -8.455 1.00 0.00 C ATOM 497 OE1 GLU A 29 17.129 15.513 -9.472 1.00 0.00 O ATOM 498 OE2 GLU A 29 18.685 14.499 -8.438 1.00 0.00 O ATOM 499 H GLU A 29 13.642 17.743 -7.169 1.00 0.00 H ATOM 500 HA GLU A 29 14.659 15.591 -5.554 1.00 0.00 H ATOM 501 1HB GLU A 29 15.035 15.662 -7.967 1.00 0.00 H ATOM 502 2HB GLU A 29 15.939 17.162 -7.818 1.00 0.00 H ATOM 503 1HG GLU A 29 17.673 16.009 -6.525 1.00 0.00 H ATOM 504 2HG GLU A 29 16.760 14.505 -6.625 1.00 0.00 H ATOM 505 N ASN A 30 16.387 16.509 -4.034 1.00 0.00 N ATOM 506 CA ASN A 30 17.372 17.034 -3.097 1.00 0.00 C ATOM 507 C ASN A 30 16.858 18.288 -2.402 1.00 0.00 C ATOM 508 O ASN A 30 17.586 19.270 -2.252 1.00 0.00 O ATOM 509 CB ASN A 30 18.685 17.316 -3.806 1.00 0.00 C ATOM 510 CG ASN A 30 19.846 17.410 -2.855 1.00 0.00 C ATOM 511 OD1 ASN A 30 19.876 16.729 -1.824 1.00 0.00 O ATOM 512 ND2 ASN A 30 20.802 18.242 -3.181 1.00 0.00 N ATOM 513 H ASN A 30 16.054 15.563 -3.918 1.00 0.00 H ATOM 514 HA ASN A 30 17.548 16.285 -2.324 1.00 0.00 H ATOM 515 1HB ASN A 30 18.885 16.525 -4.529 1.00 0.00 H ATOM 516 2HB ASN A 30 18.606 18.253 -4.358 1.00 0.00 H ATOM 517 1HD2 ASN A 30 21.599 18.346 -2.586 1.00 0.00 H ATOM 518 2HD2 ASN A 30 20.736 18.773 -4.026 1.00 0.00 H ATOM 519 N VAL A 31 15.599 18.249 -1.978 1.00 0.00 N ATOM 520 CA VAL A 31 15.026 19.325 -1.179 1.00 0.00 C ATOM 521 C VAL A 31 14.400 18.786 0.101 1.00 0.00 C ATOM 522 O VAL A 31 13.499 17.949 0.058 1.00 0.00 O ATOM 523 CB VAL A 31 13.959 20.083 -1.990 1.00 0.00 C ATOM 524 CG1 VAL A 31 13.339 21.190 -1.151 1.00 0.00 C ATOM 525 CG2 VAL A 31 14.578 20.651 -3.258 1.00 0.00 C ATOM 526 H VAL A 31 15.024 17.454 -2.218 1.00 0.00 H ATOM 527 HA VAL A 31 15.823 20.020 -0.911 1.00 0.00 H ATOM 528 HB VAL A 31 13.158 19.393 -2.254 1.00 0.00 H ATOM 529 1HG1 VAL A 31 12.587 21.716 -1.739 1.00 0.00 H ATOM 530 2HG1 VAL A 31 12.870 20.758 -0.267 1.00 0.00 H ATOM 531 3HG1 VAL A 31 14.114 21.893 -0.845 1.00 0.00 H ATOM 532 1HG2 VAL A 31 13.818 21.185 -3.827 1.00 0.00 H ATOM 533 2HG2 VAL A 31 15.384 21.337 -2.994 1.00 0.00 H ATOM 534 3HG2 VAL A 31 14.979 19.837 -3.863 1.00 0.00 H ATOM 535 N GLU A 32 14.882 19.272 1.240 1.00 0.00 N ATOM 536 CA GLU A 32 14.439 18.770 2.535 1.00 0.00 C ATOM 537 C GLU A 32 12.973 19.098 2.782 1.00 0.00 C ATOM 538 O GLU A 32 12.228 18.286 3.332 1.00 0.00 O ATOM 539 CB GLU A 32 15.299 19.356 3.657 1.00 0.00 C ATOM 540 CG GLU A 32 16.757 18.923 3.624 1.00 0.00 C ATOM 541 CD GLU A 32 17.561 19.651 2.583 1.00 0.00 C ATOM 542 OE1 GLU A 32 17.026 20.535 1.958 1.00 0.00 O ATOM 543 OE2 GLU A 32 18.711 19.322 2.412 1.00 0.00 O ATOM 544 H GLU A 32 15.573 20.008 1.208 1.00 0.00 H ATOM 545 HA GLU A 32 14.561 17.686 2.546 1.00 0.00 H ATOM 546 1HB GLU A 32 15.272 20.445 3.605 1.00 0.00 H ATOM 547 2HB GLU A 32 14.885 19.065 4.623 1.00 0.00 H ATOM 548 1HG GLU A 32 17.202 19.105 4.602 1.00 0.00 H ATOM 549 2HG GLU A 32 16.803 17.852 3.429 1.00 0.00 H ATOM 550 N GLU A 33 12.562 20.294 2.372 1.00 0.00 N ATOM 551 CA GLU A 33 11.192 20.746 2.581 1.00 0.00 C ATOM 552 C GLU A 33 10.214 19.953 1.724 1.00 0.00 C ATOM 553 O GLU A 33 9.077 19.708 2.128 1.00 0.00 O ATOM 554 CB GLU A 33 11.069 22.238 2.264 1.00 0.00 C ATOM 555 CG GLU A 33 11.849 23.147 3.204 1.00 0.00 C ATOM 556 CD GLU A 33 11.662 24.606 2.894 1.00 0.00 C ATOM 557 OE1 GLU A 33 10.998 24.911 1.933 1.00 0.00 O ATOM 558 OE2 GLU A 33 12.186 25.419 3.621 1.00 0.00 O ATOM 559 H GLU A 33 13.216 20.905 1.904 1.00 0.00 H ATOM 560 HA GLU A 33 10.936 20.600 3.631 1.00 0.00 H ATOM 561 1HB GLU A 33 11.421 22.425 1.249 1.00 0.00 H ATOM 562 2HB GLU A 33 10.020 22.534 2.306 1.00 0.00 H ATOM 563 1HG GLU A 33 11.523 22.960 4.227 1.00 0.00 H ATOM 564 2HG GLU A 33 12.907 22.899 3.137 1.00 0.00 H ATOM 565 N ALA A 34 10.661 19.554 0.539 1.00 0.00 N ATOM 566 CA ALA A 34 9.797 18.873 -0.417 1.00 0.00 C ATOM 567 C ALA A 34 9.372 17.506 0.102 1.00 0.00 C ATOM 568 O ALA A 34 8.217 17.104 -0.052 1.00 0.00 O ATOM 569 CB ALA A 34 10.498 18.734 -1.761 1.00 0.00 C ATOM 570 H ALA A 34 11.626 19.727 0.293 1.00 0.00 H ATOM 571 HA ALA A 34 8.905 19.482 -0.572 1.00 0.00 H ATOM 572 1HB ALA A 34 9.840 18.223 -2.464 1.00 0.00 H ATOM 573 2HB ALA A 34 10.744 19.723 -2.147 1.00 0.00 H ATOM 574 3HB ALA A 34 11.413 18.156 -1.635 1.00 0.00 H ATOM 575 N ILE A 35 10.309 16.793 0.717 1.00 0.00 N ATOM 576 CA ILE A 35 10.048 15.446 1.209 1.00 0.00 C ATOM 577 C ILE A 35 9.223 15.476 2.488 1.00 0.00 C ATOM 578 O ILE A 35 8.339 14.642 2.688 1.00 0.00 O ATOM 579 CB ILE A 35 11.366 14.691 1.464 1.00 0.00 C ATOM 580 CG1 ILE A 35 11.080 13.287 2.004 1.00 0.00 C ATOM 581 CG2 ILE A 35 12.245 15.468 2.431 1.00 0.00 C ATOM 582 CD1 ILE A 35 10.291 12.416 1.053 1.00 0.00 C ATOM 583 H ILE A 35 11.225 17.197 0.850 1.00 0.00 H ATOM 584 HA ILE A 35 9.491 14.901 0.446 1.00 0.00 H ATOM 585 HB ILE A 35 11.900 14.564 0.523 1.00 0.00 H ATOM 586 1HG1 ILE A 35 12.021 12.785 2.226 1.00 0.00 H ATOM 587 2HG1 ILE A 35 10.522 13.363 2.938 1.00 0.00 H ATOM 588 1HG2 ILE A 35 13.172 14.920 2.601 1.00 0.00 H ATOM 589 2HG2 ILE A 35 12.475 16.445 2.009 1.00 0.00 H ATOM 590 3HG2 ILE A 35 11.721 15.596 3.378 1.00 0.00 H ATOM 591 1HD1 ILE A 35 10.128 11.438 1.506 1.00 0.00 H ATOM 592 2HD1 ILE A 35 9.328 12.884 0.844 1.00 0.00 H ATOM 593 3HD1 ILE A 35 10.846 12.297 0.123 1.00 0.00 H ATOM 594 N LYS A 36 9.517 16.440 3.355 1.00 0.00 N ATOM 595 CA LYS A 36 8.784 16.596 4.605 1.00 0.00 C ATOM 596 C LYS A 36 7.301 16.834 4.349 1.00 0.00 C ATOM 597 O LYS A 36 6.446 16.296 5.051 1.00 0.00 O ATOM 598 CB LYS A 36 9.367 17.746 5.427 1.00 0.00 C ATOM 599 CG LYS A 36 10.715 17.442 6.068 1.00 0.00 C ATOM 600 CD LYS A 36 11.250 18.646 6.829 1.00 0.00 C ATOM 601 CE LYS A 36 12.609 18.352 7.446 1.00 0.00 C ATOM 602 NZ LYS A 36 13.131 19.511 8.220 1.00 0.00 N ATOM 603 H LYS A 36 10.267 17.081 3.140 1.00 0.00 H ATOM 604 HA LYS A 36 8.896 15.682 5.188 1.00 0.00 H ATOM 605 1HB LYS A 36 9.490 18.623 4.791 1.00 0.00 H ATOM 606 2HB LYS A 36 8.672 18.014 6.223 1.00 0.00 H ATOM 607 1HG LYS A 36 10.609 16.604 6.758 1.00 0.00 H ATOM 608 2HG LYS A 36 11.431 17.164 5.295 1.00 0.00 H ATOM 609 1HD LYS A 36 11.344 19.494 6.149 1.00 0.00 H ATOM 610 2HD LYS A 36 10.552 18.914 7.622 1.00 0.00 H ATOM 611 1HE LYS A 36 12.528 17.494 8.111 1.00 0.00 H ATOM 612 2HE LYS A 36 13.321 18.108 6.658 1.00 0.00 H ATOM 613 1HZ LYS A 36 14.032 19.277 8.612 1.00 0.00 H ATOM 614 2HZ LYS A 36 13.228 20.310 7.608 1.00 0.00 H ATOM 615 3HZ LYS A 36 12.488 19.736 8.966 1.00 0.00 H ATOM 616 N LEU A 37 7.003 17.643 3.337 1.00 0.00 N ATOM 617 CA LEU A 37 5.622 17.948 2.981 1.00 0.00 C ATOM 618 C LEU A 37 4.898 16.708 2.473 1.00 0.00 C ATOM 619 O LEU A 37 3.797 16.391 2.923 1.00 0.00 O ATOM 620 CB LEU A 37 5.581 19.047 1.912 1.00 0.00 C ATOM 621 CG LEU A 37 4.185 19.430 1.406 1.00 0.00 C ATOM 622 CD1 LEU A 37 3.352 19.959 2.565 1.00 0.00 C ATOM 623 CD2 LEU A 37 4.313 20.472 0.304 1.00 0.00 C ATOM 624 H LEU A 37 7.752 18.057 2.802 1.00 0.00 H ATOM 625 HA LEU A 37 5.108 18.312 3.871 1.00 0.00 H ATOM 626 1HB LEU A 37 6.044 19.944 2.319 1.00 0.00 H ATOM 627 2HB LEU A 37 6.166 18.718 1.053 1.00 0.00 H ATOM 628 HG LEU A 37 3.684 18.545 1.013 1.00 0.00 H ATOM 629 1HD1 LEU A 37 2.359 20.232 2.206 1.00 0.00 H ATOM 630 2HD1 LEU A 37 3.260 19.188 3.330 1.00 0.00 H ATOM 631 3HD1 LEU A 37 3.837 20.837 2.991 1.00 0.00 H ATOM 632 1HD2 LEU A 37 3.320 20.744 -0.056 1.00 0.00 H ATOM 633 2HD2 LEU A 37 4.812 21.358 0.697 1.00 0.00 H ATOM 634 3HD2 LEU A 37 4.897 20.061 -0.519 1.00 0.00 H ATOM 635 N LEU A 38 5.523 16.008 1.532 1.00 0.00 N ATOM 636 CA LEU A 38 4.910 14.839 0.912 1.00 0.00 C ATOM 637 C LEU A 38 4.574 13.778 1.951 1.00 0.00 C ATOM 638 O LEU A 38 3.478 13.218 1.949 1.00 0.00 O ATOM 639 CB LEU A 38 5.849 14.248 -0.147 1.00 0.00 C ATOM 640 CG LEU A 38 5.350 12.974 -0.841 1.00 0.00 C ATOM 641 CD1 LEU A 38 5.678 13.042 -2.326 1.00 0.00 C ATOM 642 CD2 LEU A 38 5.996 11.758 -0.194 1.00 0.00 C ATOM 643 H LEU A 38 6.446 16.293 1.238 1.00 0.00 H ATOM 644 HA LEU A 38 3.988 15.151 0.420 1.00 0.00 H ATOM 645 1HB LEU A 38 6.020 14.998 -0.917 1.00 0.00 H ATOM 646 2HB LEU A 38 6.804 14.017 0.324 1.00 0.00 H ATOM 647 HG LEU A 38 4.267 12.905 -0.741 1.00 0.00 H ATOM 648 1HD1 LEU A 38 5.324 12.136 -2.819 1.00 0.00 H ATOM 649 2HD1 LEU A 38 5.188 13.910 -2.768 1.00 0.00 H ATOM 650 3HD1 LEU A 38 6.756 13.127 -2.457 1.00 0.00 H ATOM 651 1HD2 LEU A 38 5.641 10.852 -0.686 1.00 0.00 H ATOM 652 2HD2 LEU A 38 7.080 11.824 -0.294 1.00 0.00 H ATOM 653 3HD2 LEU A 38 5.731 11.724 0.863 1.00 0.00 H ATOM 654 N LEU A 39 5.524 13.504 2.839 1.00 0.00 N ATOM 655 CA LEU A 39 5.359 12.458 3.841 1.00 0.00 C ATOM 656 C LEU A 39 4.173 12.749 4.752 1.00 0.00 C ATOM 657 O LEU A 39 3.411 11.848 5.102 1.00 0.00 O ATOM 658 CB LEU A 39 6.636 12.322 4.680 1.00 0.00 C ATOM 659 CG LEU A 39 7.864 11.778 3.940 1.00 0.00 C ATOM 660 CD1 LEU A 39 9.099 11.944 4.815 1.00 0.00 C ATOM 661 CD2 LEU A 39 7.637 10.316 3.585 1.00 0.00 C ATOM 662 H LEU A 39 6.383 14.035 2.820 1.00 0.00 H ATOM 663 HA LEU A 39 5.181 11.512 3.327 1.00 0.00 H ATOM 664 1HB LEU A 39 6.896 13.302 5.078 1.00 0.00 H ATOM 665 2HB LEU A 39 6.432 11.656 5.518 1.00 0.00 H ATOM 666 HG LEU A 39 8.023 12.353 3.027 1.00 0.00 H ATOM 667 1HD1 LEU A 39 9.972 11.557 4.288 1.00 0.00 H ATOM 668 2HD1 LEU A 39 9.249 13.000 5.036 1.00 0.00 H ATOM 669 3HD1 LEU A 39 8.963 11.393 5.744 1.00 0.00 H ATOM 670 1HD2 LEU A 39 8.510 9.929 3.058 1.00 0.00 H ATOM 671 2HD2 LEU A 39 7.479 9.741 4.498 1.00 0.00 H ATOM 672 3HD2 LEU A 39 6.759 10.229 2.946 1.00 0.00 H ATOM 673 N ARG A 40 4.024 14.014 5.133 1.00 0.00 N ATOM 674 CA ARG A 40 2.969 14.415 6.057 1.00 0.00 C ATOM 675 C ARG A 40 1.598 14.329 5.400 1.00 0.00 C ATOM 676 O ARG A 40 0.620 13.933 6.033 1.00 0.00 O ATOM 677 CB ARG A 40 3.203 15.835 6.552 1.00 0.00 C ATOM 678 CG ARG A 40 2.146 16.361 7.510 1.00 0.00 C ATOM 679 CD ARG A 40 2.153 15.617 8.796 1.00 0.00 C ATOM 680 NE ARG A 40 1.115 16.087 9.700 1.00 0.00 N ATOM 681 CZ ARG A 40 -0.159 15.648 9.696 1.00 0.00 C ATOM 682 NH1 ARG A 40 -0.535 14.731 8.833 1.00 0.00 N ATOM 683 NH2 ARG A 40 -1.030 16.139 10.560 1.00 0.00 N ATOM 684 H ARG A 40 4.656 14.714 4.774 1.00 0.00 H ATOM 685 HA ARG A 40 2.988 13.744 6.917 1.00 0.00 H ATOM 686 1HB ARG A 40 4.165 15.890 7.060 1.00 0.00 H ATOM 687 2HB ARG A 40 3.244 16.515 5.701 1.00 0.00 H ATOM 688 1HG ARG A 40 2.337 17.413 7.722 1.00 0.00 H ATOM 689 2HG ARG A 40 1.160 16.255 7.058 1.00 0.00 H ATOM 690 1HD ARG A 40 1.984 14.558 8.605 1.00 0.00 H ATOM 691 2HD ARG A 40 3.117 15.748 9.287 1.00 0.00 H ATOM 692 HE ARG A 40 1.367 16.793 10.379 1.00 0.00 H ATOM 693 1HH1 ARG A 40 0.130 14.355 8.172 1.00 0.00 H ATOM 694 2HH1 ARG A 40 -1.490 14.402 8.830 1.00 0.00 H ATOM 695 1HH2 ARG A 40 -0.740 16.844 11.224 1.00 0.00 H ATOM 696 2HH2 ARG A 40 -1.984 15.810 10.557 1.00 0.00 H ATOM 697 N LEU A 41 1.535 14.703 4.127 1.00 0.00 N ATOM 698 CA LEU A 41 0.264 14.782 3.415 1.00 0.00 C ATOM 699 C LEU A 41 -0.287 13.394 3.117 1.00 0.00 C ATOM 700 O LEU A 41 -1.494 13.165 3.193 1.00 0.00 O ATOM 701 CB LEU A 41 0.437 15.561 2.105 1.00 0.00 C ATOM 702 CG LEU A 41 0.678 17.069 2.255 1.00 0.00 C ATOM 703 CD1 LEU A 41 1.029 17.665 0.899 1.00 0.00 C ATOM 704 CD2 LEU A 41 -0.566 17.726 2.836 1.00 0.00 C ATOM 705 H LEU A 41 2.387 14.939 3.639 1.00 0.00 H ATOM 706 HA LEU A 41 -0.451 15.316 4.041 1.00 0.00 H ATOM 707 1HB LEU A 41 1.283 15.144 1.562 1.00 0.00 H ATOM 708 2HB LEU A 41 -0.459 15.427 1.499 1.00 0.00 H ATOM 709 HG LEU A 41 1.523 17.238 2.923 1.00 0.00 H ATOM 710 1HD1 LEU A 41 1.200 18.737 1.006 1.00 0.00 H ATOM 711 2HD1 LEU A 41 1.932 17.191 0.516 1.00 0.00 H ATOM 712 3HD1 LEU A 41 0.207 17.497 0.204 1.00 0.00 H ATOM 713 1HD2 LEU A 41 -0.394 18.798 2.944 1.00 0.00 H ATOM 714 2HD2 LEU A 41 -1.411 17.559 2.169 1.00 0.00 H ATOM 715 3HD2 LEU A 41 -0.783 17.294 3.813 1.00 0.00 H ATOM 716 N LEU A 42 0.605 12.468 2.777 1.00 0.00 N ATOM 717 CA LEU A 42 0.199 11.147 2.314 1.00 0.00 C ATOM 718 C LEU A 42 0.013 10.188 3.483 1.00 0.00 C ATOM 719 O LEU A 42 -0.934 9.401 3.508 1.00 0.00 O ATOM 720 CB LEU A 42 1.242 10.582 1.342 1.00 0.00 C ATOM 721 CG LEU A 42 1.376 11.322 0.005 1.00 0.00 C ATOM 722 CD1 LEU A 42 2.509 10.708 -0.805 1.00 0.00 C ATOM 723 CD2 LEU A 42 0.058 11.245 -0.752 1.00 0.00 C ATOM 724 H LEU A 42 1.589 12.687 2.841 1.00 0.00 H ATOM 725 HA LEU A 42 -0.750 11.241 1.785 1.00 0.00 H ATOM 726 1HB LEU A 42 2.216 10.599 1.829 1.00 0.00 H ATOM 727 2HB LEU A 42 0.987 9.545 1.122 1.00 0.00 H ATOM 728 HG LEU A 42 1.627 12.367 0.191 1.00 0.00 H ATOM 729 1HD1 LEU A 42 2.604 11.235 -1.755 1.00 0.00 H ATOM 730 2HD1 LEU A 42 3.442 10.794 -0.249 1.00 0.00 H ATOM 731 3HD1 LEU A 42 2.293 9.657 -0.993 1.00 0.00 H ATOM 732 1HD2 LEU A 42 0.153 11.773 -1.702 1.00 0.00 H ATOM 733 2HD2 LEU A 42 -0.193 10.201 -0.940 1.00 0.00 H ATOM 734 3HD2 LEU A 42 -0.730 11.707 -0.158 1.00 0.00 H ATOM 735 N ARG A 43 0.923 10.256 4.449 1.00 0.00 N ATOM 736 CA ARG A 43 0.951 9.295 5.545 1.00 0.00 C ATOM 737 C ARG A 43 -0.258 9.463 6.457 1.00 0.00 C ATOM 738 O ARG A 43 -0.787 10.564 6.605 1.00 0.00 O ATOM 739 OXT ARG A 43 -0.704 8.515 7.042 1.00 0.00 O ATOM 740 CB ARG A 43 2.225 9.451 6.361 1.00 0.00 C ATOM 741 CG ARG A 43 2.429 8.396 7.437 1.00 0.00 C ATOM 742 CD ARG A 43 1.871 8.830 8.744 1.00 0.00 C ATOM 743 NE ARG A 43 2.147 7.866 9.798 1.00 0.00 N ATOM 744 CZ ARG A 43 1.386 6.787 10.065 1.00 0.00 C ATOM 745 NH1 ARG A 43 0.309 6.548 9.350 1.00 0.00 N ATOM 746 NH2 ARG A 43 1.722 5.969 11.047 1.00 0.00 N ATOM 747 H ARG A 43 1.611 10.994 4.424 1.00 0.00 H ATOM 748 HA ARG A 43 0.933 8.289 5.123 1.00 0.00 H ATOM 749 1HB ARG A 43 3.088 9.417 5.698 1.00 0.00 H ATOM 750 2HB ARG A 43 2.226 10.425 6.850 1.00 0.00 H ATOM 751 1HG ARG A 43 1.930 7.473 7.141 1.00 0.00 H ATOM 752 2HG ARG A 43 3.495 8.208 7.565 1.00 0.00 H ATOM 753 1HD ARG A 43 2.314 9.783 9.030 1.00 0.00 H ATOM 754 2HD ARG A 43 0.791 8.942 8.659 1.00 0.00 H ATOM 755 HE ARG A 43 2.967 8.017 10.370 1.00 0.00 H ATOM 756 1HH1 ARG A 43 0.052 7.173 8.599 1.00 0.00 H ATOM 757 2HH1 ARG A 43 -0.261 5.739 9.551 1.00 0.00 H ATOM 758 1HH2 ARG A 43 2.550 6.153 11.598 1.00 0.00 H ATOM 759 2HH2 ARG A 43 1.152 5.160 11.248 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE start16_0157_0002.pdb label fa_atr fa_rep fa_sol fa_intra_atr_xover4 fa_intra_rep_xover4 fa_intra_sol_xover4 lk_ball lk_ball_iso lk_ball_bridge lk_ball_bridge_uncpl fa_elec fa_intra_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun_dev fa_dun_rot fa_dun_semi p_aa_pp hxl_tors ref rama_prepro gen_bonded total weights 1 0.55 1 1 0.55 1 0.92 -0.38 -0.33 -0.33 1 1 1.25 1 1 1 1 1.25 0.48 0.69 0.76 0.78 0.61 1 1 0.5 1 NA pose -216.783 33.3037 132.484 -23.5243 22.0387 19.9898 68.954 -82.6041 -0.46469 -2.79506 -45.283 -16.2508 0 -20.684 -6.66361 -0.2151 0 0 1.62046 6.67386 39.871 35.842 -14.5204 2.32217 -26.3811 -3.82423 0 -96.8933 ASP:NtermProteinFull_1 -1.99795 0.04229 2.61934 -0.3084 0.06413 1.0754 0.88774 -1.16847 -0.03954 -0.29412 -0.77392 -2.58579 0 0 0 0 0 0 0.012 0.13269 0 2.69532 0 0 -2.3716 0 0 -2.01088 LEU_2 -5.70221 1.05828 3.05548 -0.71676 0.78672 0.28514 1.73697 -2.09276 -0 -0 -1.17694 0.14403 0 0 0 0 0 0 -0.03121 0.02582 1.22694 0 -0.28602 0 0.18072 -0.06773 0 -1.57355 GLU_3 -3.23299 0.10051 4.10872 -0.45992 0.16901 1.41207 1.10289 -1.87354 -0.05079 -0.31289 -1.28151 -2.5183 0 0 0 0 0 0 0.11999 0.02549 0 4.00303 -0.25178 0 -2.7348 -0.26682 0 -1.94163 GLU_4 -4.17804 0.224 4.98052 -0.21651 0.04002 0.3134 1.59083 -2.25011 -0.06337 -0.46428 -1.0567 -0.59438 0 0 0 0 0 0 0.07951 0.04773 0 3.05672 -0.2881 0 -2.7348 -0.41104 0 -1.92461 LEU_5 -7.40941 0.77307 4.79573 -0.7166 0.43971 0.28619 2.75894 -2.91742 -0 -0 -1.48299 0.167 0 0 0 0 0 0 0.00221 0.17793 0.80944 0 -0.20319 0 0.18072 0.072 0 -2.26665 LEU_6 -9.21913 1.69091 3.31425 -0.56865 0.94234 0.13004 2.6686 -2.85819 -0 -0 -2.47896 0.17972 0 0 0 0 0 0 -0.01192 0.67149 3.30887 0 -0.30179 0 0.18072 0.24433 0 -2.10738 GLU_7 -4.01948 0.19072 5.0467 -0.63104 0.15962 1.15322 2.29235 -2.30198 -0.00106 -0.02097 -1.80963 -0.63141 0 0 0 0 0 0 0.1605 0.01626 0 3.42166 -0.17041 0 -2.7348 -0.1402 0 -0.01996 ARG_8 -5.67828 0.26544 6.46523 -0.81356 0.21051 0.5259 2.49828 -3.00418 -0.02838 -0.19834 -2.31077 0.46254 0 0 0 0 0 0 -0.03053 0.4296 1.44733 0 -0.12204 0 -1.2888 -0.16807 0 -1.33813 ILE_9 -8.24875 1.87389 2.38824 -0.51087 0.58347 0.09968 2.39336 -2.51078 -0.02673 -0.11944 -1.91005 0.12389 0 0 0 0 0 0 -0.06217 0.05039 0.50576 0 -0.4704 0 0.73287 0.17673 0 -4.93091 LYS_10 -4.62594 0.43671 3.60851 -0.42563 0.07581 0.2403 1.32161 -1.88531 -0 -0 -0.66624 -0.12993 0 0 0 0 0 0 0.01846 0.04027 2.11585 0 0.02164 0 -1.5107 0.20438 0 -1.16019 ARG_11 -2.75055 0.09999 3.4238 -1.556 0.59027 1.40579 1.21647 -1.55502 -0 -0 -0.69548 -0.75537 0 0 0 0 0 0 0.02513 0.00656 3.32915 0 0.0131 0 -1.2888 0.16732 0 1.67636 GLU_12 -3.22928 0.22659 3.41211 -0.58184 0.12154 1.04737 1.13174 -1.52024 -1e-05 -0.00042 -0.39314 -0.65194 0 0 0 0 0 0 0.22675 0.17613 0 3.29257 -0.137 0 -2.7348 0.2877 0 0.67382 GLY_13 -2.55302 0.11531 3.23779 -5e-05 0 0 1.72122 -1.57229 -0.00559 -0.03582 -1.92137 -0.40702 0 0 0 0 0 0 -0.1598 0 0 0 -1.21096 0 0.83697 -0.24249 0 -2.19714 THR_14 -4.30774 0.93178 2.93991 -0.2048 0.15664 0.07032 0.97569 -1.69091 -0.02673 -0.11944 -0.56836 -0.7177 0 0 0 -0.10755 0 0 -0.01651 0.03742 0.85737 0 -0.58427 2.32217 -1.0874 0.05358 0 -1.08651 GLU_15 -2.97772 0.31656 1.95226 -0.30439 0.05963 0.37448 0.4867 -1.135 -0 -0 -0.73619 -0.32506 0 0 0 -0.10755 0 0 0.19654 0.0036 0 2.88949 0.06558 0 -2.7348 0.29871 0 -1.67717 VAL_16 -6.16435 1.19567 1.9233 -0.26636 0.20665 0.05502 2.30887 -1.90614 -0 -0 -1.50533 -0.2808 0 0 0 0 0 0 0.39066 0.08624 0.38805 0 -0.43898 0 1.9342 -0.0298 0 -2.10311 ILE_17 -4.43731 0.66717 1.24029 -0.65175 1.1064 0.12669 0.74429 -1.31805 -0 -0 -0.35017 0.26855 0 0 0 0 0 0 0.34886 0.00763 1.14738 0 -0.71905 0 0.73287 -0.11607 0 -1.20226 ILE_18 -6.36056 1.30849 1.49299 -0.47608 0.85324 0.09232 2.00586 -1.71568 -0.00701 -0.02386 -1.69873 0.12505 0 0 0 0 0 0 -0.03491 0.37246 0.43501 0 -0.52967 0 0.73287 -0.22767 0 -3.65589 ILE_19 -4.52571 0.66296 1.31735 -0.4905 0.62104 0.10875 0.44216 -1.22485 -0.00011 -0.00042 0.02341 0.01051 0 0 0 0 0 0 -0.02735 0.07783 0.33894 0 -0.74623 0 0.73287 -0.32083 0 -3.00015 ILE_20 -6.11301 0.87229 2.91088 -0.63819 2.67292 0.17532 2.13525 -2.20073 -0.00701 -0.02386 -1.45685 -0.37743 0 0 0 0 0 0 0.15798 0.01503 2.11954 0 -0.5916 0 0.73287 -0.26749 0 0.11591 ASN_21 -2.02957 0.28125 1.8437 -0.19335 0.02577 0.33205 0.48483 -0.9215 -0.00011 -0.00042 0.47932 -1.01805 0 0 0 0 0 0 0.10127 0.10469 0 1.87208 -1.00749 0 -0.93687 -0.30171 0 -0.88413 GLY_22 -1.51272 0.17578 1.46348 -6e-05 0 0 0.32186 -0.84504 -0 -0 0.01934 -0.40428 0 0 0 0 0 0 -0.16081 0 0 0 -1.50242 0 0.83697 -0.73686 0 -2.34478 LEU_23 -5.6512 0.87376 3.35966 -0.71576 2.63532 0.33289 2.51387 -2.34194 -0 -0 -1.97367 0.06157 0 0 0 0 0 0 -0.07922 0.03098 1.46811 0 -0.24213 0 0.18072 -0.4075 0 0.04543 ARG_24 -4.83855 0.55777 2.60427 -0.72619 0.19403 0.47564 0.37395 -1.52687 -0.00351 -0.00986 -0.49012 0.30275 0 0 0 0 0 0 -0.07451 0.05921 2.20374 0 0.05021 0 -1.2888 0.01654 0 -2.1203 ILE_25 -7.81003 1.28765 2.25654 -0.49614 0.60463 0.11038 2.49105 -2.11364 -0.00025 -0.00065 -1.82656 0.0566 0 0 0 0 0 0 0.11957 0.39684 0.36639 0 -0.69481 0 0.73287 -0.3045 0 -4.82407 GLU_26 -2.92324 0.25747 2.06423 -0.33303 0.06754 0.4515 0.57349 -1.05844 -0.00946 -0.02759 -1.29398 -0.4324 0 0 0 0 0 0 -0.02441 0.05354 0 3.01562 0.30721 0 -2.7348 -0.21266 0 -2.25939 LEU_27 -8.5948 2.29878 2.65191 -0.67176 1.52789 0.29582 2.46207 -2.47085 -0.00025 -0.00065 -1.4662 0.0207 0 0 0 0 0 0 -0.02422 0.29525 1.44636 0 -0.35342 0 0.18072 0.01615 0 -2.38652 ARG_28 -6.00662 0.75572 3.75656 -0.99744 0.64273 0.89784 1.20321 -2.27071 -0.04848 -0.27896 -0.53289 0.569 0 0 0 0 0 0 0.05194 0.06813 3.46169 0 -0.11704 0 -1.2888 -0.20227 0 -0.3364 GLU_29 -3.76779 0.53522 3.25793 -0.30711 0.07969 0.37084 0.59448 -1.5705 -0 -0 -0.35513 -0.29988 0 0 0 0 0 0 0.06781 0.16116 0 2.84059 0.01235 0 -2.7348 -0.36763 0 -1.4828 ASN_30 -1.9633 0.21741 2.24238 -0.37273 0.08669 0.75851 0.83247 -1.06797 -0.0145 -0.10125 -0.35659 -0.87247 0 0 0 0 0 0 0.18943 0.02426 0 1.68553 -1.01765 0 -0.93687 -0.4448 0 -1.11146 VAL_31 -6.06985 1.14823 3.45871 -0.27649 0.19649 0.0616 1.77372 -2.44621 -0.01986 -0.11938 -0.67195 -0.37084 0 0 0 0 0 0 0.02738 9e-05 0.20966 0 -0.67271 0 1.9342 -0.32643 0 -2.16366 GLU_32 -3.46161 0.6272 3.50036 -0.4689 0.30523 1.48094 1.57577 -1.74787 -0.04285 -0.25008 -1.12241 -2.92145 0 0 0 0 0 0 -0.04788 0.04655 0 4.00158 -0.27878 0 -2.7348 -0.31967 0 -1.85867 GLU_33 -3.48171 0.18646 3.40353 -0.21861 0.03094 0.30687 1.34174 -1.74204 -0.05102 -0.29068 -0.63017 -0.60313 0 0 0 0 0 0 -0.01501 0.08307 0 3.06777 -0.35342 0 -2.7348 -0.47321 0 -2.1734 ALA_34 -6.28073 1.2184 3.22353 -0.0217 0 0 2.40784 -2.58933 -0 -0 -0.64237 -0.35103 0 0 0 0 0 0 -0.04253 0 0 0 -0.10351 0 1.8394 -0.269 0 -1.61103 ILE_35 -8.29721 2.52017 3.57476 -0.76845 0.9145 0.31459 2.55062 -2.7673 -0 -0 -1.48941 0.7307 0 0 0 0 0 0 0.00349 1.43713 1.20398 0 -0.29607 0 0.73287 -0.02083 0 0.34356 LYS_36 -4.71769 0.74046 4.70986 -0.3056 0.0265 0.13535 1.93916 -2.22771 -0 -0 -1.37808 -0.00567 0 0 0 0 0 0 -0.01132 0.07875 1.70338 0 -0.01451 0 -1.5107 -0.09483 0 -0.93266 LEU_37 -5.07339 0.51421 4.46623 -0.70542 0.46061 0.25735 2.35786 -2.34254 -0 -0 -1.75489 0.19401 0 0 0 0 0 0 -0.00791 0.0008 0.75425 0 -0.18915 0 0.18072 0.23626 0 -0.651 LEU_38 -9.68959 1.51876 2.5611 -0.67875 0.4846 0.25778 2.56131 -2.65351 -0.00902 -0.05083 -1.61312 -0.0551 0 0 0 0 0 0 -0.00668 1.18862 1.36873 0 -0.21003 0 0.18072 0.56865 0 -4.27636 LEU_39 -7.26931 1.13086 4.09372 -0.50393 0.49124 0.11804 2.36584 -2.56631 -0 -0 -2.13101 0.27124 0 0 0 0 0 0 -0.03871 0.0704 0.38028 0 -0.258 0 0.18072 0.30681 0 -3.35813 ARG_40 -3.14209 0.12455 3.95316 -1.58264 0.61611 1.50787 1.60722 -1.81263 -0 -0 -0.55355 -1.02816 0 0 0 0 0 0 0.02679 0.00395 3.42468 0 -0.10697 0 -1.2888 -0.01256 0 1.73694 LEU_41 -6.05871 0.84576 2.18749 -0.51032 0.6617 0.12414 1.55008 -1.77688 -0 -0 -0.62589 0.24394 0 0 0 0 0 0 0.13823 0.08041 0.39016 0 -0.26823 0 0.18072 -0.10727 0 -2.94464 LEU_42 -7.94167 2.17323 0.60817 -0.511 0.76842 0.1215 1.30975 -1.65087 -0 -0 -0.44381 0.23718 0 0 0 0 0 0 0.06354 0.05486 0.40163 0 -0.25269 0 0.18072 0.17719 0 -4.70383 ARG:CtermProteinFull_43 -2.46974 0.26202 3.00931 -1.62098 1.35842 2.30092 1.34195 -1.39176 -0.00902 -0.05083 -0.17996 -2.0822 0 0 0 0 0 0 0 0.03459 3.0583 0 0 0 -1.2888 0.20941 0 2.48162 #END_POSE_ENERGIES_TABLE start16_0157_0002.pdb score_per_res -2.55678 total_score -109.942
HEEH_KT_rd6_2853.pdb
ATOM 1 N THR A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA THR A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C THR A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O THR A 1 2.221 2.014 -1.057 1.00 0.00 O ATOM 5 CB THR A 1 2.012 -0.770 -1.213 1.00 0.00 C ATOM 6 OG1 THR A 1 1.557 -2.128 -1.169 1.00 0.00 O ATOM 7 CG2 THR A 1 3.533 -0.748 -1.209 1.00 0.00 C ATOM 8 1H THR A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 9 2H THR A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 10 3H THR A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 11 HA THR A 1 1.804 -0.509 0.900 1.00 0.00 H ATOM 12 HB THR A 1 1.651 -0.309 -2.132 1.00 0.00 H ATOM 13 HG1 THR A 1 1.724 -2.549 -2.016 1.00 0.00 H ATOM 14 1HG2 THR A 1 3.907 -1.297 -2.073 1.00 0.00 H ATOM 15 2HG2 THR A 1 3.883 0.283 -1.254 1.00 0.00 H ATOM 16 3HG2 THR A 1 3.901 -1.216 -0.296 1.00 0.00 H ATOM 17 N ILE A 2 2.240 1.960 1.192 1.00 0.00 N ATOM 18 CA ILE A 2 2.652 3.351 1.336 1.00 0.00 C ATOM 19 C ILE A 2 4.105 3.541 0.917 1.00 0.00 C ATOM 20 O ILE A 2 4.485 4.604 0.427 1.00 0.00 O ATOM 21 CB ILE A 2 2.469 3.830 2.788 1.00 0.00 C ATOM 22 CG1 ILE A 2 2.624 5.351 2.872 1.00 0.00 C ATOM 23 CG2 ILE A 2 3.465 3.139 3.706 1.00 0.00 C ATOM 24 CD1 ILE A 2 1.556 6.116 2.124 1.00 0.00 C ATOM 25 H ILE A 2 2.126 1.392 2.019 1.00 0.00 H ATOM 26 HA ILE A 2 2.020 3.968 0.696 1.00 0.00 H ATOM 27 HB ILE A 2 1.458 3.598 3.123 1.00 0.00 H ATOM 28 1HG1 ILE A 2 2.599 5.662 3.915 1.00 0.00 H ATOM 29 2HG1 ILE A 2 3.594 5.641 2.468 1.00 0.00 H ATOM 30 1HG2 ILE A 2 3.322 3.490 4.728 1.00 0.00 H ATOM 31 2HG2 ILE A 2 3.308 2.062 3.667 1.00 0.00 H ATOM 32 3HG2 ILE A 2 4.480 3.370 3.382 1.00 0.00 H ATOM 33 1HD1 ILE A 2 1.733 7.186 2.229 1.00 0.00 H ATOM 34 2HD1 ILE A 2 1.586 5.845 1.068 1.00 0.00 H ATOM 35 3HD1 ILE A 2 0.577 5.869 2.534 1.00 0.00 H ATOM 36 N GLU A 3 4.912 2.504 1.111 1.00 0.00 N ATOM 37 CA GLU A 3 6.343 2.587 0.849 1.00 0.00 C ATOM 38 C GLU A 3 6.616 2.940 -0.607 1.00 0.00 C ATOM 39 O GLU A 3 7.516 3.725 -0.908 1.00 0.00 O ATOM 40 CB GLU A 3 7.028 1.265 1.201 1.00 0.00 C ATOM 41 CG GLU A 3 7.118 0.981 2.694 1.00 0.00 C ATOM 42 CD GLU A 3 5.876 0.335 3.242 1.00 0.00 C ATOM 43 OE1 GLU A 3 5.038 -0.053 2.464 1.00 0.00 O ATOM 44 OE2 GLU A 3 5.765 0.230 4.441 1.00 0.00 O ATOM 45 H GLU A 3 4.523 1.635 1.451 1.00 0.00 H ATOM 46 HA GLU A 3 6.767 3.368 1.483 1.00 0.00 H ATOM 47 1HB GLU A 3 6.487 0.440 0.736 1.00 0.00 H ATOM 48 2HB GLU A 3 8.041 1.261 0.798 1.00 0.00 H ATOM 49 1HG GLU A 3 7.967 0.323 2.877 1.00 0.00 H ATOM 50 2HG GLU A 3 7.298 1.917 3.220 1.00 0.00 H ATOM 51 N ILE A 4 5.835 2.355 -1.509 1.00 0.00 N ATOM 52 CA ILE A 4 6.011 2.583 -2.938 1.00 0.00 C ATOM 53 C ILE A 4 5.402 3.913 -3.364 1.00 0.00 C ATOM 54 O ILE A 4 5.992 4.653 -4.149 1.00 0.00 O ATOM 55 CB ILE A 4 5.380 1.443 -3.758 1.00 0.00 C ATOM 56 CG1 ILE A 4 6.061 0.111 -3.431 1.00 0.00 C ATOM 57 CG2 ILE A 4 5.475 1.742 -5.246 1.00 0.00 C ATOM 58 CD1 ILE A 4 7.543 0.093 -3.729 1.00 0.00 C ATOM 59 H ILE A 4 5.100 1.737 -1.196 1.00 0.00 H ATOM 60 HA ILE A 4 7.079 2.602 -3.156 1.00 0.00 H ATOM 61 HB ILE A 4 4.331 1.336 -3.484 1.00 0.00 H ATOM 62 1HG1 ILE A 4 5.922 -0.119 -2.375 1.00 0.00 H ATOM 63 2HG1 ILE A 4 5.589 -0.688 -4.004 1.00 0.00 H ATOM 64 1HG2 ILE A 4 5.025 0.926 -5.810 1.00 0.00 H ATOM 65 2HG2 ILE A 4 4.947 2.669 -5.465 1.00 0.00 H ATOM 66 3HG2 ILE A 4 6.523 1.846 -5.530 1.00 0.00 H ATOM 67 1HD1 ILE A 4 7.954 -0.884 -3.472 1.00 0.00 H ATOM 68 2HD1 ILE A 4 7.703 0.286 -4.790 1.00 0.00 H ATOM 69 3HD1 ILE A 4 8.041 0.862 -3.141 1.00 0.00 H ATOM 70 N LEU A 5 4.217 4.209 -2.839 1.00 0.00 N ATOM 71 CA LEU A 5 3.545 5.470 -3.129 1.00 0.00 C ATOM 72 C LEU A 5 4.364 6.657 -2.637 1.00 0.00 C ATOM 73 O LEU A 5 4.364 7.721 -3.254 1.00 0.00 O ATOM 74 CB LEU A 5 2.157 5.492 -2.478 1.00 0.00 C ATOM 75 CG LEU A 5 1.136 4.503 -3.054 1.00 0.00 C ATOM 76 CD1 LEU A 5 -0.156 4.581 -2.251 1.00 0.00 C ATOM 77 CD2 LEU A 5 0.888 4.826 -4.520 1.00 0.00 C ATOM 78 H LEU A 5 3.771 3.543 -2.225 1.00 0.00 H ATOM 79 HA LEU A 5 3.420 5.555 -4.210 1.00 0.00 H ATOM 80 1HB LEU A 5 2.268 5.273 -1.417 1.00 0.00 H ATOM 81 2HB LEU A 5 1.742 6.494 -2.579 1.00 0.00 H ATOM 82 HG LEU A 5 1.522 3.488 -2.966 1.00 0.00 H ATOM 83 1HD1 LEU A 5 -0.882 3.878 -2.660 1.00 0.00 H ATOM 84 2HD1 LEU A 5 0.047 4.327 -1.211 1.00 0.00 H ATOM 85 3HD1 LEU A 5 -0.559 5.591 -2.307 1.00 0.00 H ATOM 86 1HD2 LEU A 5 0.162 4.122 -4.930 1.00 0.00 H ATOM 87 2HD2 LEU A 5 0.500 5.840 -4.609 1.00 0.00 H ATOM 88 3HD2 LEU A 5 1.824 4.745 -5.073 1.00 0.00 H ATOM 89 N PHE A 6 5.061 6.466 -1.522 1.00 0.00 N ATOM 90 CA PHE A 6 5.940 7.497 -0.983 1.00 0.00 C ATOM 91 C PHE A 6 6.984 7.921 -2.007 1.00 0.00 C ATOM 92 O PHE A 6 7.142 9.109 -2.291 1.00 0.00 O ATOM 93 CB PHE A 6 6.636 6.997 0.284 1.00 0.00 C ATOM 94 CG PHE A 6 7.672 7.944 0.820 1.00 0.00 C ATOM 95 CD1 PHE A 6 7.297 9.098 1.492 1.00 0.00 C ATOM 96 CD2 PHE A 6 9.024 7.684 0.652 1.00 0.00 C ATOM 97 CE1 PHE A 6 8.249 9.970 1.985 1.00 0.00 C ATOM 98 CE2 PHE A 6 9.978 8.552 1.145 1.00 0.00 C ATOM 99 CZ PHE A 6 9.589 9.697 1.812 1.00 0.00 C ATOM 100 H PHE A 6 4.979 5.585 -1.036 1.00 0.00 H ATOM 101 HA PHE A 6 5.334 8.365 -0.720 1.00 0.00 H ATOM 102 1HB PHE A 6 5.894 6.829 1.064 1.00 0.00 H ATOM 103 2HB PHE A 6 7.120 6.043 0.081 1.00 0.00 H ATOM 104 HD1 PHE A 6 6.237 9.313 1.630 1.00 0.00 H ATOM 105 HD2 PHE A 6 9.330 6.780 0.125 1.00 0.00 H ATOM 106 HE1 PHE A 6 7.940 10.873 2.511 1.00 0.00 H ATOM 107 HE2 PHE A 6 11.037 8.336 1.007 1.00 0.00 H ATOM 108 HZ PHE A 6 10.341 10.384 2.199 1.00 0.00 H ATOM 109 N GLU A 7 7.695 6.944 -2.559 1.00 0.00 N ATOM 110 CA GLU A 7 8.733 7.215 -3.547 1.00 0.00 C ATOM 111 C GLU A 7 8.145 7.836 -4.807 1.00 0.00 C ATOM 112 O GLU A 7 8.744 8.729 -5.408 1.00 0.00 O ATOM 113 CB GLU A 7 9.480 5.928 -3.903 1.00 0.00 C ATOM 114 CG GLU A 7 10.371 5.390 -2.792 1.00 0.00 C ATOM 115 CD GLU A 7 11.167 4.186 -3.211 1.00 0.00 C ATOM 116 OE1 GLU A 7 10.913 3.669 -4.273 1.00 0.00 O ATOM 117 OE2 GLU A 7 12.031 3.782 -2.469 1.00 0.00 O ATOM 118 H GLU A 7 7.512 5.988 -2.289 1.00 0.00 H ATOM 119 HA GLU A 7 9.448 7.915 -3.113 1.00 0.00 H ATOM 120 1HB GLU A 7 8.762 5.150 -4.162 1.00 0.00 H ATOM 121 2HB GLU A 7 10.106 6.101 -4.779 1.00 0.00 H ATOM 122 1HG GLU A 7 11.058 6.175 -2.479 1.00 0.00 H ATOM 123 2HG GLU A 7 9.749 5.128 -1.937 1.00 0.00 H ATOM 124 N LEU A 8 6.969 7.361 -5.202 1.00 0.00 N ATOM 125 CA LEU A 8 6.289 7.883 -6.381 1.00 0.00 C ATOM 126 C LEU A 8 5.812 9.311 -6.155 1.00 0.00 C ATOM 127 O LEU A 8 5.846 10.139 -7.064 1.00 0.00 O ATOM 128 CB LEU A 8 5.095 6.991 -6.742 1.00 0.00 C ATOM 129 CG LEU A 8 5.444 5.585 -7.249 1.00 0.00 C ATOM 130 CD1 LEU A 8 4.178 4.742 -7.320 1.00 0.00 C ATOM 131 CD2 LEU A 8 6.110 5.688 -8.613 1.00 0.00 C ATOM 132 H LEU A 8 6.536 6.618 -4.672 1.00 0.00 H ATOM 133 HA LEU A 8 6.989 7.877 -7.217 1.00 0.00 H ATOM 134 1HB LEU A 8 4.466 6.878 -5.861 1.00 0.00 H ATOM 135 2HB LEU A 8 4.512 7.487 -7.518 1.00 0.00 H ATOM 136 HG LEU A 8 6.126 5.104 -6.547 1.00 0.00 H ATOM 137 1HD1 LEU A 8 4.426 3.743 -7.679 1.00 0.00 H ATOM 138 2HD1 LEU A 8 3.733 4.669 -6.327 1.00 0.00 H ATOM 139 3HD1 LEU A 8 3.469 5.207 -8.003 1.00 0.00 H ATOM 140 1HD2 LEU A 8 6.359 4.689 -8.972 1.00 0.00 H ATOM 141 2HD2 LEU A 8 5.428 6.167 -9.315 1.00 0.00 H ATOM 142 3HD2 LEU A 8 7.021 6.280 -8.529 1.00 0.00 H ATOM 143 N ALA A 9 5.367 9.595 -4.934 1.00 0.00 N ATOM 144 CA ALA A 9 4.927 10.937 -4.572 1.00 0.00 C ATOM 145 C ALA A 9 6.077 11.932 -4.641 1.00 0.00 C ATOM 146 O ALA A 9 5.906 13.064 -5.095 1.00 0.00 O ATOM 147 CB ALA A 9 4.312 10.935 -3.180 1.00 0.00 C ATOM 148 H ALA A 9 5.333 8.863 -4.241 1.00 0.00 H ATOM 149 HA ALA A 9 4.153 11.249 -5.275 1.00 0.00 H ATOM 150 1HB ALA A 9 3.988 11.943 -2.924 1.00 0.00 H ATOM 151 2HB ALA A 9 3.455 10.262 -3.162 1.00 0.00 H ATOM 152 3HB ALA A 9 5.053 10.598 -2.457 1.00 0.00 H ATOM 153 N LEU A 10 7.251 11.505 -4.191 1.00 0.00 N ATOM 154 CA LEU A 10 8.448 12.334 -4.261 1.00 0.00 C ATOM 155 C LEU A 10 8.789 12.687 -5.704 1.00 0.00 C ATOM 156 O LEU A 10 9.100 13.837 -6.015 1.00 0.00 O ATOM 157 CB LEU A 10 9.634 11.609 -3.612 1.00 0.00 C ATOM 158 CG LEU A 10 9.566 11.457 -2.087 1.00 0.00 C ATOM 159 CD1 LEU A 10 10.742 10.616 -1.607 1.00 0.00 C ATOM 160 CD2 LEU A 10 9.577 12.833 -1.438 1.00 0.00 C ATOM 161 H LEU A 10 7.316 10.581 -3.788 1.00 0.00 H ATOM 162 HA LEU A 10 8.263 13.256 -3.711 1.00 0.00 H ATOM 163 1HB LEU A 10 9.709 10.611 -4.041 1.00 0.00 H ATOM 164 2HB LEU A 10 10.547 12.154 -3.850 1.00 0.00 H ATOM 165 HG LEU A 10 8.649 10.934 -1.814 1.00 0.00 H ATOM 166 1HD1 LEU A 10 10.693 10.508 -0.524 1.00 0.00 H ATOM 167 2HD1 LEU A 10 10.698 9.631 -2.072 1.00 0.00 H ATOM 168 3HD1 LEU A 10 11.675 11.106 -1.881 1.00 0.00 H ATOM 169 1HD2 LEU A 10 9.528 12.724 -0.354 1.00 0.00 H ATOM 170 2HD2 LEU A 10 10.494 13.356 -1.709 1.00 0.00 H ATOM 171 3HD2 LEU A 10 8.717 13.406 -1.785 1.00 0.00 H ATOM 172 N LEU A 11 8.730 11.691 -6.581 1.00 0.00 N ATOM 173 CA LEU A 11 9.005 11.900 -7.998 1.00 0.00 C ATOM 174 C LEU A 11 8.075 12.951 -8.590 1.00 0.00 C ATOM 175 O LEU A 11 8.526 13.907 -9.221 1.00 0.00 O ATOM 176 CB LEU A 11 8.851 10.582 -8.768 1.00 0.00 C ATOM 177 CG LEU A 11 9.297 10.613 -10.235 1.00 0.00 C ATOM 178 CD1 LEU A 11 9.587 9.195 -10.708 1.00 0.00 C ATOM 179 CD2 LEU A 11 8.211 11.260 -11.082 1.00 0.00 C ATOM 180 H LEU A 11 8.488 10.764 -6.258 1.00 0.00 H ATOM 181 HA LEU A 11 10.034 12.243 -8.103 1.00 0.00 H ATOM 182 1HB LEU A 11 9.433 9.814 -8.261 1.00 0.00 H ATOM 183 2HB LEU A 11 7.802 10.287 -8.746 1.00 0.00 H ATOM 184 HG LEU A 11 10.218 11.189 -10.324 1.00 0.00 H ATOM 185 1HD1 LEU A 11 9.904 9.217 -11.751 1.00 0.00 H ATOM 186 2HD1 LEU A 11 10.381 8.763 -10.098 1.00 0.00 H ATOM 187 3HD1 LEU A 11 8.687 8.589 -10.615 1.00 0.00 H ATOM 188 1HD2 LEU A 11 8.529 11.283 -12.125 1.00 0.00 H ATOM 189 2HD2 LEU A 11 7.290 10.684 -10.995 1.00 0.00 H ATOM 190 3HD2 LEU A 11 8.037 12.278 -10.734 1.00 0.00 H ATOM 191 N LEU A 12 6.776 12.769 -8.381 1.00 0.00 N ATOM 192 CA LEU A 12 5.775 13.640 -8.987 1.00 0.00 C ATOM 193 C LEU A 12 6.031 15.100 -8.640 1.00 0.00 C ATOM 194 O LEU A 12 6.079 15.959 -9.522 1.00 0.00 O ATOM 195 CB LEU A 12 4.370 13.237 -8.522 1.00 0.00 C ATOM 196 CG LEU A 12 3.211 14.031 -9.139 1.00 0.00 C ATOM 197 CD1 LEU A 12 1.981 13.140 -9.240 1.00 0.00 C ATOM 198 CD2 LEU A 12 2.927 15.260 -8.288 1.00 0.00 C ATOM 199 H LEU A 12 6.474 12.010 -7.789 1.00 0.00 H ATOM 200 HA LEU A 12 5.825 13.523 -10.071 1.00 0.00 H ATOM 201 1HB LEU A 12 4.214 12.186 -8.758 1.00 0.00 H ATOM 202 2HB LEU A 12 4.314 13.357 -7.440 1.00 0.00 H ATOM 203 HG LEU A 12 3.481 14.343 -10.148 1.00 0.00 H ATOM 204 1HD1 LEU A 12 1.158 13.704 -9.679 1.00 0.00 H ATOM 205 2HD1 LEU A 12 2.207 12.279 -9.870 1.00 0.00 H ATOM 206 3HD1 LEU A 12 1.697 12.798 -8.246 1.00 0.00 H ATOM 207 1HD2 LEU A 12 2.104 15.825 -8.727 1.00 0.00 H ATOM 208 2HD2 LEU A 12 2.656 14.949 -7.279 1.00 0.00 H ATOM 209 3HD2 LEU A 12 3.817 15.888 -8.247 1.00 0.00 H ATOM 210 N LEU A 13 6.195 15.377 -7.351 1.00 0.00 N ATOM 211 CA LEU A 13 6.264 16.750 -6.865 1.00 0.00 C ATOM 212 C LEU A 13 7.541 17.437 -7.332 1.00 0.00 C ATOM 213 O LEU A 13 7.542 18.633 -7.622 1.00 0.00 O ATOM 214 CB LEU A 13 6.196 16.774 -5.333 1.00 0.00 C ATOM 215 CG LEU A 13 4.871 16.304 -4.718 1.00 0.00 C ATOM 216 CD1 LEU A 13 5.047 16.109 -3.218 1.00 0.00 C ATOM 217 CD2 LEU A 13 3.783 17.326 -5.014 1.00 0.00 C ATOM 218 H LEU A 13 6.275 14.617 -6.691 1.00 0.00 H ATOM 219 HA LEU A 13 5.408 17.299 -7.257 1.00 0.00 H ATOM 220 1HB LEU A 13 6.987 16.138 -4.940 1.00 0.00 H ATOM 221 2HB LEU A 13 6.375 17.794 -4.993 1.00 0.00 H ATOM 222 HG LEU A 13 4.592 15.342 -5.149 1.00 0.00 H ATOM 223 1HD1 LEU A 13 4.106 15.775 -2.782 1.00 0.00 H ATOM 224 2HD1 LEU A 13 5.817 15.360 -3.036 1.00 0.00 H ATOM 225 3HD1 LEU A 13 5.343 17.053 -2.762 1.00 0.00 H ATOM 226 1HD2 LEU A 13 2.842 16.991 -4.578 1.00 0.00 H ATOM 227 2HD2 LEU A 13 4.061 18.288 -4.583 1.00 0.00 H ATOM 228 3HD2 LEU A 13 3.667 17.431 -6.092 1.00 0.00 H ATOM 229 N ARG A 14 8.625 16.673 -7.402 1.00 0.00 N ATOM 230 CA ARG A 14 9.934 17.230 -7.726 1.00 0.00 C ATOM 231 C ARG A 14 10.078 17.465 -9.224 1.00 0.00 C ATOM 232 O ARG A 14 10.596 18.495 -9.654 1.00 0.00 O ATOM 233 CB ARG A 14 11.042 16.301 -7.253 1.00 0.00 C ATOM 234 CG ARG A 14 12.452 16.772 -7.572 1.00 0.00 C ATOM 235 CD ARG A 14 12.798 18.012 -6.831 1.00 0.00 C ATOM 236 NE ARG A 14 14.121 18.503 -7.181 1.00 0.00 N ATOM 237 CZ ARG A 14 14.386 19.305 -8.231 1.00 0.00 C ATOM 238 NH1 ARG A 14 13.411 19.698 -9.020 1.00 0.00 N ATOM 239 NH2 ARG A 14 15.625 19.698 -8.466 1.00 0.00 N ATOM 240 H ARG A 14 8.542 15.682 -7.228 1.00 0.00 H ATOM 241 HA ARG A 14 10.041 18.185 -7.210 1.00 0.00 H ATOM 242 1HB ARG A 14 10.974 16.174 -6.173 1.00 0.00 H ATOM 243 2HB ARG A 14 10.912 15.318 -7.707 1.00 0.00 H ATOM 244 1HG ARG A 14 13.167 15.997 -7.296 1.00 0.00 H ATOM 245 2HG ARG A 14 12.534 16.977 -8.640 1.00 0.00 H ATOM 246 1HD ARG A 14 12.072 18.790 -7.065 1.00 0.00 H ATOM 247 2HD ARG A 14 12.781 17.811 -5.760 1.00 0.00 H ATOM 248 HE ARG A 14 14.897 18.222 -6.597 1.00 0.00 H ATOM 249 1HH1 ARG A 14 12.463 19.398 -8.841 1.00 0.00 H ATOM 250 2HH1 ARG A 14 13.609 20.299 -9.807 1.00 0.00 H ATOM 251 1HH2 ARG A 14 16.375 19.396 -7.858 1.00 0.00 H ATOM 252 2HH2 ARG A 14 15.824 20.299 -9.252 1.00 0.00 H ATOM 253 N LEU A 15 9.615 16.503 -10.016 1.00 0.00 N ATOM 254 CA LEU A 15 9.835 16.525 -11.457 1.00 0.00 C ATOM 255 C LEU A 15 8.760 17.337 -12.166 1.00 0.00 C ATOM 256 O LEU A 15 9.021 17.979 -13.183 1.00 0.00 O ATOM 257 CB LEU A 15 9.854 15.095 -12.012 1.00 0.00 C ATOM 258 CG LEU A 15 11.216 14.390 -11.987 1.00 0.00 C ATOM 259 CD1 LEU A 15 11.628 14.131 -10.544 1.00 0.00 C ATOM 260 CD2 LEU A 15 11.129 13.089 -12.772 1.00 0.00 C ATOM 261 H LEU A 15 9.098 15.737 -9.609 1.00 0.00 H ATOM 262 HA LEU A 15 10.805 16.984 -11.653 1.00 0.00 H ATOM 263 1HB LEU A 15 9.157 14.489 -11.436 1.00 0.00 H ATOM 264 2HB LEU A 15 9.513 15.119 -13.047 1.00 0.00 H ATOM 265 HG LEU A 15 11.969 15.036 -12.438 1.00 0.00 H ATOM 266 1HD1 LEU A 15 12.596 13.630 -10.525 1.00 0.00 H ATOM 267 2HD1 LEU A 15 11.701 15.080 -10.011 1.00 0.00 H ATOM 268 3HD1 LEU A 15 10.883 13.500 -10.061 1.00 0.00 H ATOM 269 1HD2 LEU A 15 12.098 12.588 -12.754 1.00 0.00 H ATOM 270 2HD2 LEU A 15 10.377 12.441 -12.321 1.00 0.00 H ATOM 271 3HD2 LEU A 15 10.851 13.305 -13.803 1.00 0.00 H ATOM 272 N GLY A 16 7.546 17.305 -11.623 1.00 0.00 N ATOM 273 CA GLY A 16 6.400 17.932 -12.270 1.00 0.00 C ATOM 274 C GLY A 16 5.768 16.998 -13.294 1.00 0.00 C ATOM 275 O GLY A 16 5.356 17.429 -14.371 1.00 0.00 O ATOM 276 H GLY A 16 7.416 16.834 -10.739 1.00 0.00 H ATOM 277 1HA GLY A 16 5.662 18.206 -11.517 1.00 0.00 H ATOM 278 2HA GLY A 16 6.717 18.852 -12.759 1.00 0.00 H ATOM 279 N THR A 17 5.693 15.717 -12.952 1.00 0.00 N ATOM 280 CA THR A 17 5.145 14.712 -13.857 1.00 0.00 C ATOM 281 C THR A 17 4.311 13.686 -13.100 1.00 0.00 C ATOM 282 O THR A 17 4.553 13.421 -11.923 1.00 0.00 O ATOM 283 CB THR A 17 6.265 13.997 -14.635 1.00 0.00 C ATOM 284 OG1 THR A 17 5.688 13.150 -15.637 1.00 0.00 O ATOM 285 CG2 THR A 17 7.115 13.156 -13.694 1.00 0.00 C ATOM 286 H THR A 17 6.024 15.430 -12.042 1.00 0.00 H ATOM 287 HA THR A 17 4.506 15.214 -14.584 1.00 0.00 H ATOM 288 HB THR A 17 6.898 14.736 -15.124 1.00 0.00 H ATOM 289 HG1 THR A 17 6.316 13.030 -16.354 1.00 0.00 H ATOM 290 1HG2 THR A 17 7.901 12.658 -14.261 1.00 0.00 H ATOM 291 2HG2 THR A 17 7.564 13.799 -12.937 1.00 0.00 H ATOM 292 3HG2 THR A 17 6.489 12.408 -13.209 1.00 0.00 H ATOM 293 N THR A 18 3.328 13.111 -13.784 1.00 0.00 N ATOM 294 CA THR A 18 2.402 12.177 -13.154 1.00 0.00 C ATOM 295 C THR A 18 3.032 10.800 -12.994 1.00 0.00 C ATOM 296 O THR A 18 4.027 10.482 -13.646 1.00 0.00 O ATOM 297 CB THR A 18 1.097 12.057 -13.964 1.00 0.00 C ATOM 298 OG1 THR A 18 1.386 11.532 -15.266 1.00 0.00 O ATOM 299 CG2 THR A 18 0.431 13.417 -14.106 1.00 0.00 C ATOM 300 H THR A 18 3.219 13.326 -14.764 1.00 0.00 H ATOM 301 HA THR A 18 2.142 12.559 -12.167 1.00 0.00 H ATOM 302 HB THR A 18 0.415 11.377 -13.455 1.00 0.00 H ATOM 303 HG1 THR A 18 1.718 10.635 -15.182 1.00 0.00 H ATOM 304 1HG2 THR A 18 -0.489 13.314 -14.681 1.00 0.00 H ATOM 305 2HG2 THR A 18 0.200 13.815 -13.118 1.00 0.00 H ATOM 306 3HG2 THR A 18 1.105 14.100 -14.622 1.00 0.00 H ATOM 307 N VAL A 19 2.449 9.985 -12.122 1.00 0.00 N ATOM 308 CA VAL A 19 2.945 8.636 -11.882 1.00 0.00 C ATOM 309 C VAL A 19 1.806 7.625 -11.856 1.00 0.00 C ATOM 310 O VAL A 19 0.646 7.988 -11.667 1.00 0.00 O ATOM 311 CB VAL A 19 3.710 8.578 -10.546 1.00 0.00 C ATOM 312 CG1 VAL A 19 4.949 9.458 -10.603 1.00 0.00 C ATOM 313 CG2 VAL A 19 2.796 9.006 -9.408 1.00 0.00 C ATOM 314 H VAL A 19 1.638 10.309 -11.612 1.00 0.00 H ATOM 315 HA VAL A 19 3.630 8.371 -12.688 1.00 0.00 H ATOM 316 HB VAL A 19 4.049 7.556 -10.376 1.00 0.00 H ATOM 317 1HG1 VAL A 19 5.477 9.405 -9.650 1.00 0.00 H ATOM 318 2HG1 VAL A 19 5.605 9.111 -11.401 1.00 0.00 H ATOM 319 3HG1 VAL A 19 4.654 10.489 -10.796 1.00 0.00 H ATOM 320 1HG2 VAL A 19 3.342 8.962 -8.466 1.00 0.00 H ATOM 321 2HG2 VAL A 19 2.452 10.026 -9.581 1.00 0.00 H ATOM 322 3HG2 VAL A 19 1.936 8.337 -9.359 1.00 0.00 H ATOM 323 N GLU A 20 2.145 6.355 -12.048 1.00 0.00 N ATOM 324 CA GLU A 20 1.165 5.279 -11.958 1.00 0.00 C ATOM 325 C GLU A 20 1.819 3.972 -11.528 1.00 0.00 C ATOM 326 O GLU A 20 2.901 3.623 -11.999 1.00 0.00 O ATOM 327 CB GLU A 20 0.458 5.088 -13.302 1.00 0.00 C ATOM 328 CG GLU A 20 -0.529 3.930 -13.335 1.00 0.00 C ATOM 329 CD GLU A 20 -1.264 3.824 -14.642 1.00 0.00 C ATOM 330 OE1 GLU A 20 -1.069 4.670 -15.481 1.00 0.00 O ATOM 331 OE2 GLU A 20 -2.022 2.896 -14.801 1.00 0.00 O ATOM 332 H GLU A 20 3.106 6.128 -12.262 1.00 0.00 H ATOM 333 HA GLU A 20 0.414 5.555 -11.218 1.00 0.00 H ATOM 334 1HB GLU A 20 -0.085 5.998 -13.560 1.00 0.00 H ATOM 335 2HB GLU A 20 1.199 4.918 -14.083 1.00 0.00 H ATOM 336 1HG GLU A 20 0.012 3.000 -13.159 1.00 0.00 H ATOM 337 2HG GLU A 20 -1.249 4.057 -12.527 1.00 0.00 H ATOM 338 N TRP A 21 1.156 3.253 -10.628 1.00 0.00 N ATOM 339 CA TRP A 21 1.650 1.964 -10.163 1.00 0.00 C ATOM 340 C TRP A 21 0.540 1.151 -9.510 1.00 0.00 C ATOM 341 O TRP A 21 -0.179 1.647 -8.643 1.00 0.00 O ATOM 342 CB TRP A 21 2.795 2.160 -9.168 1.00 0.00 C ATOM 343 CG TRP A 21 3.244 0.888 -8.514 1.00 0.00 C ATOM 344 CD1 TRP A 21 4.092 -0.042 -9.037 1.00 0.00 C ATOM 345 CD2 TRP A 21 2.870 0.398 -7.203 1.00 0.00 C ATOM 346 NE1 TRP A 21 4.269 -1.073 -8.148 1.00 0.00 N ATOM 347 CE2 TRP A 21 3.530 -0.820 -7.020 1.00 0.00 C ATOM 348 CE3 TRP A 21 2.041 0.889 -6.187 1.00 0.00 C ATOM 349 CZ2 TRP A 21 3.388 -1.563 -5.859 1.00 0.00 C ATOM 350 CZ3 TRP A 21 1.899 0.144 -5.022 1.00 0.00 C ATOM 351 CH2 TRP A 21 2.557 -1.050 -4.863 1.00 0.00 C ATOM 352 H TRP A 21 0.287 3.610 -10.257 1.00 0.00 H ATOM 353 HA TRP A 21 2.032 1.409 -11.020 1.00 0.00 H ATOM 354 1HB TRP A 21 3.650 2.603 -9.679 1.00 0.00 H ATOM 355 2HB TRP A 21 2.485 2.855 -8.388 1.00 0.00 H ATOM 356 HD1 TRP A 21 4.560 0.023 -10.017 1.00 0.00 H ATOM 357 HE1 TRP A 21 4.848 -1.887 -8.298 1.00 0.00 H ATOM 358 HE3 TRP A 21 1.518 1.837 -6.308 1.00 0.00 H ATOM 359 HZ2 TRP A 21 3.902 -2.514 -5.713 1.00 0.00 H ATOM 360 HZ3 TRP A 21 1.251 0.532 -4.236 1.00 0.00 H ATOM 361 HH2 TRP A 21 2.424 -1.609 -3.936 1.00 0.00 H ATOM 362 N ASN A 22 0.403 -0.101 -9.933 1.00 0.00 N ATOM 363 CA ASN A 22 -0.527 -1.027 -9.297 1.00 0.00 C ATOM 364 C ASN A 22 -1.960 -0.518 -9.388 1.00 0.00 C ATOM 365 O ASN A 22 -2.741 -0.665 -8.448 1.00 0.00 O ATOM 366 CB ASN A 22 -0.136 -1.269 -7.851 1.00 0.00 C ATOM 367 CG ASN A 22 -0.734 -2.531 -7.294 1.00 0.00 C ATOM 368 OD1 ASN A 22 -0.885 -3.529 -8.009 1.00 0.00 O ATOM 369 ND2 ASN A 22 -1.076 -2.508 -6.031 1.00 0.00 N ATOM 370 H ASN A 22 0.958 -0.421 -10.714 1.00 0.00 H ATOM 371 HA ASN A 22 -0.479 -1.982 -9.823 1.00 0.00 H ATOM 372 1HB ASN A 22 0.950 -1.329 -7.772 1.00 0.00 H ATOM 373 2HB ASN A 22 -0.463 -0.426 -7.241 1.00 0.00 H ATOM 374 1HD2 ASN A 22 -1.478 -3.319 -5.606 1.00 0.00 H ATOM 375 2HD2 ASN A 22 -0.935 -1.679 -5.490 1.00 0.00 H ATOM 376 N GLY A 23 -2.299 0.081 -10.525 1.00 0.00 N ATOM 377 CA GLY A 23 -3.678 0.458 -10.810 1.00 0.00 C ATOM 378 C GLY A 23 -4.014 1.814 -10.206 1.00 0.00 C ATOM 379 O GLY A 23 -5.107 2.342 -10.412 1.00 0.00 O ATOM 380 H GLY A 23 -1.582 0.280 -11.208 1.00 0.00 H ATOM 381 1HA GLY A 23 -3.831 0.488 -11.889 1.00 0.00 H ATOM 382 2HA GLY A 23 -4.352 -0.300 -10.411 1.00 0.00 H ATOM 383 N LEU A 24 -3.070 2.375 -9.457 1.00 0.00 N ATOM 384 CA LEU A 24 -3.278 3.655 -8.792 1.00 0.00 C ATOM 385 C LEU A 24 -2.590 4.785 -9.547 1.00 0.00 C ATOM 386 O LEU A 24 -1.390 4.727 -9.813 1.00 0.00 O ATOM 387 CB LEU A 24 -2.750 3.597 -7.353 1.00 0.00 C ATOM 388 CG LEU A 24 -3.101 4.799 -6.467 1.00 0.00 C ATOM 389 CD1 LEU A 24 -3.167 4.355 -5.011 1.00 0.00 C ATOM 390 CD2 LEU A 24 -2.061 5.892 -6.658 1.00 0.00 C ATOM 391 H LEU A 24 -2.185 1.901 -9.348 1.00 0.00 H ATOM 392 HA LEU A 24 -4.349 3.857 -8.759 1.00 0.00 H ATOM 393 1HB LEU A 24 -3.147 2.704 -6.873 1.00 0.00 H ATOM 394 2HB LEU A 24 -1.664 3.514 -7.384 1.00 0.00 H ATOM 395 HG LEU A 24 -4.084 5.181 -6.743 1.00 0.00 H ATOM 396 1HD1 LEU A 24 -3.416 5.209 -4.382 1.00 0.00 H ATOM 397 2HD1 LEU A 24 -3.932 3.587 -4.899 1.00 0.00 H ATOM 398 3HD1 LEU A 24 -2.200 3.952 -4.710 1.00 0.00 H ATOM 399 1HD2 LEU A 24 -2.310 6.747 -6.029 1.00 0.00 H ATOM 400 2HD2 LEU A 24 -1.077 5.512 -6.380 1.00 0.00 H ATOM 401 3HD2 LEU A 24 -2.047 6.203 -7.703 1.00 0.00 H ATOM 402 N THR A 25 -3.358 5.814 -9.889 1.00 0.00 N ATOM 403 CA THR A 25 -2.824 6.960 -10.615 1.00 0.00 C ATOM 404 C THR A 25 -2.769 8.197 -9.727 1.00 0.00 C ATOM 405 O THR A 25 -3.700 8.470 -8.968 1.00 0.00 O ATOM 406 CB THR A 25 -3.664 7.261 -11.870 1.00 0.00 C ATOM 407 OG1 THR A 25 -5.017 7.540 -11.488 1.00 0.00 O ATOM 408 CG2 THR A 25 -3.644 6.075 -12.822 1.00 0.00 C ATOM 409 H THR A 25 -4.336 5.802 -9.640 1.00 0.00 H ATOM 410 HA THR A 25 -1.812 6.722 -10.944 1.00 0.00 H ATOM 411 HB THR A 25 -3.257 8.135 -12.379 1.00 0.00 H ATOM 412 HG1 THR A 25 -5.062 8.410 -11.083 1.00 0.00 H ATOM 413 1HG2 THR A 25 -4.241 6.306 -13.703 1.00 0.00 H ATOM 414 2HG2 THR A 25 -2.617 5.868 -13.123 1.00 0.00 H ATOM 415 3HG2 THR A 25 -4.058 5.201 -12.322 1.00 0.00 H ATOM 416 N ILE A 26 -1.674 8.944 -9.827 1.00 0.00 N ATOM 417 CA ILE A 26 -1.559 10.230 -9.150 1.00 0.00 C ATOM 418 C ILE A 26 -1.326 11.358 -10.146 1.00 0.00 C ATOM 419 O ILE A 26 -0.248 11.469 -10.731 1.00 0.00 O ATOM 420 CB ILE A 26 -0.415 10.208 -8.120 1.00 0.00 C ATOM 421 CG1 ILE A 26 -0.540 8.984 -7.209 1.00 0.00 C ATOM 422 CG2 ILE A 26 -0.413 11.488 -7.300 1.00 0.00 C ATOM 423 CD1 ILE A 26 0.665 8.755 -6.326 1.00 0.00 C ATOM 424 H ILE A 26 -0.902 8.610 -10.386 1.00 0.00 H ATOM 425 HA ILE A 26 -2.489 10.424 -8.614 1.00 0.00 H ATOM 426 HB ILE A 26 0.539 10.118 -8.639 1.00 0.00 H ATOM 427 1HG1 ILE A 26 -1.416 9.094 -6.570 1.00 0.00 H ATOM 428 2HG1 ILE A 26 -0.690 8.091 -7.817 1.00 0.00 H ATOM 429 1HG2 ILE A 26 0.401 11.456 -6.577 1.00 0.00 H ATOM 430 2HG2 ILE A 26 -0.278 12.343 -7.960 1.00 0.00 H ATOM 431 3HG2 ILE A 26 -1.363 11.584 -6.772 1.00 0.00 H ATOM 432 1HD1 ILE A 26 0.502 7.870 -5.710 1.00 0.00 H ATOM 433 2HD1 ILE A 26 1.549 8.606 -6.947 1.00 0.00 H ATOM 434 3HD1 ILE A 26 0.814 9.621 -5.683 1.00 0.00 H ATOM 435 N THR A 27 -2.342 12.193 -10.336 1.00 0.00 N ATOM 436 CA THR A 27 -2.340 13.168 -11.420 1.00 0.00 C ATOM 437 C THR A 27 -2.297 14.592 -10.879 1.00 0.00 C ATOM 438 O THR A 27 -2.435 15.556 -11.632 1.00 0.00 O ATOM 439 CB THR A 27 -3.574 12.995 -12.324 1.00 0.00 C ATOM 440 OG1 THR A 27 -4.766 13.170 -11.548 1.00 0.00 O ATOM 441 CG2 THR A 27 -3.583 11.612 -12.955 1.00 0.00 C ATOM 442 H THR A 27 -3.135 12.151 -9.713 1.00 0.00 H ATOM 443 HA THR A 27 -1.454 13.001 -12.034 1.00 0.00 H ATOM 444 HB THR A 27 -3.556 13.748 -13.112 1.00 0.00 H ATOM 445 HG1 THR A 27 -5.508 13.335 -12.135 1.00 0.00 H ATOM 446 1HG2 THR A 27 -4.462 11.508 -13.591 1.00 0.00 H ATOM 447 2HG2 THR A 27 -2.683 11.480 -13.556 1.00 0.00 H ATOM 448 3HG2 THR A 27 -3.611 10.855 -12.173 1.00 0.00 H ATOM 449 N THR A 28 -2.105 14.716 -9.570 1.00 0.00 N ATOM 450 CA THR A 28 -2.108 16.020 -8.917 1.00 0.00 C ATOM 451 C THR A 28 -1.131 16.052 -7.747 1.00 0.00 C ATOM 452 O THR A 28 -0.842 15.022 -7.139 1.00 0.00 O ATOM 453 CB THR A 28 -3.519 16.389 -8.422 1.00 0.00 C ATOM 454 OG1 THR A 28 -3.488 17.680 -7.802 1.00 0.00 O ATOM 455 CG2 THR A 28 -4.019 15.360 -7.420 1.00 0.00 C ATOM 456 H THR A 28 -1.953 13.887 -9.013 1.00 0.00 H ATOM 457 HA THR A 28 -1.807 16.773 -9.644 1.00 0.00 H ATOM 458 HB THR A 28 -4.203 16.424 -9.270 1.00 0.00 H ATOM 459 HG1 THR A 28 -4.372 18.056 -7.801 1.00 0.00 H ATOM 460 1HG2 THR A 28 -5.017 15.637 -7.082 1.00 0.00 H ATOM 461 2HG2 THR A 28 -4.055 14.379 -7.892 1.00 0.00 H ATOM 462 3HG2 THR A 28 -3.344 15.327 -6.566 1.00 0.00 H ATOM 463 N GLU A 29 -0.625 17.241 -7.439 1.00 0.00 N ATOM 464 CA GLU A 29 0.300 17.414 -6.325 1.00 0.00 C ATOM 465 C GLU A 29 -0.412 17.252 -4.988 1.00 0.00 C ATOM 466 O GLU A 29 0.223 17.002 -3.963 1.00 0.00 O ATOM 467 CB GLU A 29 0.967 18.790 -6.395 1.00 0.00 C ATOM 468 CG GLU A 29 1.863 18.993 -7.609 1.00 0.00 C ATOM 469 CD GLU A 29 1.103 19.431 -8.830 1.00 0.00 C ATOM 470 OE1 GLU A 29 -0.039 19.800 -8.695 1.00 0.00 O ATOM 471 OE2 GLU A 29 1.665 19.396 -9.899 1.00 0.00 O ATOM 472 H GLU A 29 -0.889 18.046 -7.990 1.00 0.00 H ATOM 473 HA GLU A 29 1.079 16.656 -6.402 1.00 0.00 H ATOM 474 1HB GLU A 29 0.201 19.565 -6.411 1.00 0.00 H ATOM 475 2HB GLU A 29 1.573 18.946 -5.502 1.00 0.00 H ATOM 476 1HG GLU A 29 2.613 19.747 -7.372 1.00 0.00 H ATOM 477 2HG GLU A 29 2.382 18.060 -7.825 1.00 0.00 H ATOM 478 N GLU A 30 -1.732 17.394 -5.005 1.00 0.00 N ATOM 479 CA GLU A 30 -2.528 17.310 -3.786 1.00 0.00 C ATOM 480 C GLU A 30 -2.478 15.908 -3.191 1.00 0.00 C ATOM 481 O GLU A 30 -2.387 15.742 -1.975 1.00 0.00 O ATOM 482 CB GLU A 30 -3.979 17.704 -4.068 1.00 0.00 C ATOM 483 CG GLU A 30 -4.180 19.178 -4.387 1.00 0.00 C ATOM 484 CD GLU A 30 -5.614 19.524 -4.677 1.00 0.00 C ATOM 485 OE1 GLU A 30 -6.407 18.624 -4.813 1.00 0.00 O ATOM 486 OE2 GLU A 30 -5.917 20.691 -4.763 1.00 0.00 O ATOM 487 H GLU A 30 -2.197 17.565 -5.885 1.00 0.00 H ATOM 488 HA GLU A 30 -2.121 18.013 -3.058 1.00 0.00 H ATOM 489 1HB GLU A 30 -4.356 17.124 -4.911 1.00 0.00 H ATOM 490 2HB GLU A 30 -4.597 17.462 -3.202 1.00 0.00 H ATOM 491 1HG GLU A 30 -3.839 19.773 -3.540 1.00 0.00 H ATOM 492 2HG GLU A 30 -3.567 19.439 -5.248 1.00 0.00 H ATOM 493 N ILE A 31 -2.537 14.901 -4.057 1.00 0.00 N ATOM 494 CA ILE A 31 -2.495 13.512 -3.619 1.00 0.00 C ATOM 495 C ILE A 31 -1.087 13.107 -3.206 1.00 0.00 C ATOM 496 O ILE A 31 -0.893 12.462 -2.174 1.00 0.00 O ATOM 497 CB ILE A 31 -2.995 12.571 -4.731 1.00 0.00 C ATOM 498 CG1 ILE A 31 -4.501 12.745 -4.941 1.00 0.00 C ATOM 499 CG2 ILE A 31 -2.664 11.125 -4.393 1.00 0.00 C ATOM 500 CD1 ILE A 31 -5.036 12.022 -6.156 1.00 0.00 C ATOM 501 H ILE A 31 -2.615 15.105 -5.043 1.00 0.00 H ATOM 502 HA ILE A 31 -3.158 13.399 -2.761 1.00 0.00 H ATOM 503 HB ILE A 31 -2.513 12.833 -5.673 1.00 0.00 H ATOM 504 1HG1 ILE A 31 -5.035 12.380 -4.064 1.00 0.00 H ATOM 505 2HG1 ILE A 31 -4.734 13.805 -5.046 1.00 0.00 H ATOM 506 1HG2 ILE A 31 -3.025 10.474 -5.189 1.00 0.00 H ATOM 507 2HG2 ILE A 31 -1.586 11.013 -4.293 1.00 0.00 H ATOM 508 3HG2 ILE A 31 -3.146 10.852 -3.454 1.00 0.00 H ATOM 509 1HD1 ILE A 31 -6.110 12.193 -6.237 1.00 0.00 H ATOM 510 2HD1 ILE A 31 -4.540 12.399 -7.051 1.00 0.00 H ATOM 511 3HD1 ILE A 31 -4.846 10.955 -6.057 1.00 0.00 H ATOM 512 N ALA A 32 -0.104 13.488 -4.015 1.00 0.00 N ATOM 513 CA ALA A 32 1.291 13.186 -3.723 1.00 0.00 C ATOM 514 C ALA A 32 1.706 13.750 -2.370 1.00 0.00 C ATOM 515 O ALA A 32 2.416 13.097 -1.605 1.00 0.00 O ATOM 516 CB ALA A 32 2.193 13.731 -4.821 1.00 0.00 C ATOM 517 H ALA A 32 -0.331 14.001 -4.855 1.00 0.00 H ATOM 518 HA ALA A 32 1.414 12.102 -3.703 1.00 0.00 H ATOM 519 1HB ALA A 32 3.232 13.497 -4.589 1.00 0.00 H ATOM 520 2HB ALA A 32 1.922 13.274 -5.774 1.00 0.00 H ATOM 521 3HB ALA A 32 2.071 14.811 -4.889 1.00 0.00 H ATOM 522 N TRP A 33 1.257 14.966 -2.078 1.00 0.00 N ATOM 523 CA TRP A 33 1.569 15.615 -0.811 1.00 0.00 C ATOM 524 C TRP A 33 1.029 14.811 0.366 1.00 0.00 C ATOM 525 O TRP A 33 1.740 14.569 1.342 1.00 0.00 O ATOM 526 CB TRP A 33 0.986 17.029 -0.778 1.00 0.00 C ATOM 527 CG TRP A 33 1.214 17.741 0.521 1.00 0.00 C ATOM 528 CD1 TRP A 33 2.291 18.506 0.852 1.00 0.00 C ATOM 529 CD2 TRP A 33 0.340 17.757 1.675 1.00 0.00 C ATOM 530 NE1 TRP A 33 2.150 18.995 2.128 1.00 0.00 N ATOM 531 CE2 TRP A 33 0.961 18.547 2.646 1.00 0.00 C ATOM 532 CE3 TRP A 33 -0.901 17.173 1.958 1.00 0.00 C ATOM 533 CZ2 TRP A 33 0.386 18.772 3.887 1.00 0.00 C ATOM 534 CZ3 TRP A 33 -1.479 17.400 3.202 1.00 0.00 C ATOM 535 CH2 TRP A 33 -0.851 18.179 4.140 1.00 0.00 C ATOM 536 H TRP A 33 0.685 15.454 -2.754 1.00 0.00 H ATOM 537 HA TRP A 33 2.653 15.688 -0.717 1.00 0.00 H ATOM 538 1HB TRP A 33 1.429 17.624 -1.577 1.00 0.00 H ATOM 539 2HB TRP A 33 -0.088 16.984 -0.961 1.00 0.00 H ATOM 540 HD1 TRP A 33 3.141 18.702 0.200 1.00 0.00 H ATOM 541 HE1 TRP A 33 2.813 19.586 2.608 1.00 0.00 H ATOM 542 HE3 TRP A 33 -1.405 16.556 1.215 1.00 0.00 H ATOM 543 HZ2 TRP A 33 0.869 19.388 4.646 1.00 0.00 H ATOM 544 HZ3 TRP A 33 -2.445 16.941 3.414 1.00 0.00 H ATOM 545 HH2 TRP A 33 -1.332 18.337 5.106 1.00 0.00 H ATOM 546 N ARG A 34 -0.230 14.401 0.268 1.00 0.00 N ATOM 547 CA ARG A 34 -0.870 13.632 1.329 1.00 0.00 C ATOM 548 C ARG A 34 -0.156 12.306 1.556 1.00 0.00 C ATOM 549 O ARG A 34 -0.001 11.859 2.693 1.00 0.00 O ATOM 550 CB ARG A 34 -2.330 13.367 0.992 1.00 0.00 C ATOM 551 CG ARG A 34 -3.071 12.500 1.997 1.00 0.00 C ATOM 552 CD ARG A 34 -3.096 13.121 3.346 1.00 0.00 C ATOM 553 NE ARG A 34 -3.799 12.293 4.312 1.00 0.00 N ATOM 554 CZ ARG A 34 -3.786 12.492 5.644 1.00 0.00 C ATOM 555 NH1 ARG A 34 -3.102 13.493 6.152 1.00 0.00 N ATOM 556 NH2 ARG A 34 -4.459 11.680 6.440 1.00 0.00 N ATOM 557 H ARG A 34 -0.758 14.627 -0.563 1.00 0.00 H ATOM 558 HA ARG A 34 -0.828 14.213 2.251 1.00 0.00 H ATOM 559 1HB ARG A 34 -2.863 14.314 0.917 1.00 0.00 H ATOM 560 2HB ARG A 34 -2.396 12.877 0.021 1.00 0.00 H ATOM 561 1HG ARG A 34 -4.100 12.357 1.665 1.00 0.00 H ATOM 562 2HG ARG A 34 -2.577 11.531 2.075 1.00 0.00 H ATOM 563 1HD ARG A 34 -2.076 13.266 3.699 1.00 0.00 H ATOM 564 2HD ARG A 34 -3.601 14.085 3.292 1.00 0.00 H ATOM 565 HE ARG A 34 -4.336 11.512 3.958 1.00 0.00 H ATOM 566 1HH1 ARG A 34 -2.588 14.114 5.543 1.00 0.00 H ATOM 567 2HH1 ARG A 34 -3.092 13.642 7.150 1.00 0.00 H ATOM 568 1HH2 ARG A 34 -4.985 10.910 6.050 1.00 0.00 H ATOM 569 2HH2 ARG A 34 -4.449 11.829 7.438 1.00 0.00 H ATOM 570 N ILE A 35 0.277 11.678 0.467 1.00 0.00 N ATOM 571 CA ILE A 35 0.971 10.399 0.546 1.00 0.00 C ATOM 572 C ILE A 35 2.248 10.514 1.369 1.00 0.00 C ATOM 573 O ILE A 35 2.534 9.663 2.211 1.00 0.00 O ATOM 574 CB ILE A 35 1.311 9.873 -0.861 1.00 0.00 C ATOM 575 CG1 ILE A 35 0.042 9.404 -1.577 1.00 0.00 C ATOM 576 CG2 ILE A 35 2.326 8.743 -0.774 1.00 0.00 C ATOM 577 CD1 ILE A 35 0.227 9.173 -3.059 1.00 0.00 C ATOM 578 H ILE A 35 0.122 12.100 -0.438 1.00 0.00 H ATOM 579 HA ILE A 35 0.310 9.676 1.024 1.00 0.00 H ATOM 580 HB ILE A 35 1.731 10.680 -1.460 1.00 0.00 H ATOM 581 1HG1 ILE A 35 -0.308 8.476 -1.127 1.00 0.00 H ATOM 582 2HG1 ILE A 35 -0.745 10.147 -1.445 1.00 0.00 H ATOM 583 1HG2 ILE A 35 2.554 8.382 -1.777 1.00 0.00 H ATOM 584 2HG2 ILE A 35 3.237 9.108 -0.304 1.00 0.00 H ATOM 585 3HG2 ILE A 35 1.912 7.927 -0.181 1.00 0.00 H ATOM 586 1HD1 ILE A 35 -0.715 8.843 -3.497 1.00 0.00 H ATOM 587 2HD1 ILE A 35 0.544 10.101 -3.536 1.00 0.00 H ATOM 588 3HD1 ILE A 35 0.986 8.407 -3.215 1.00 0.00 H ATOM 589 N LEU A 36 3.013 11.571 1.120 1.00 0.00 N ATOM 590 CA LEU A 36 4.261 11.801 1.840 1.00 0.00 C ATOM 591 C LEU A 36 4.009 12.002 3.328 1.00 0.00 C ATOM 592 O LEU A 36 4.755 11.499 4.168 1.00 0.00 O ATOM 593 CB LEU A 36 4.986 13.025 1.267 1.00 0.00 C ATOM 594 CG LEU A 36 5.470 12.894 -0.182 1.00 0.00 C ATOM 595 CD1 LEU A 36 6.194 14.169 -0.593 1.00 0.00 C ATOM 596 CD2 LEU A 36 6.382 11.683 -0.306 1.00 0.00 C ATOM 597 H LEU A 36 2.723 12.233 0.414 1.00 0.00 H ATOM 598 HA LEU A 36 4.902 10.929 1.708 1.00 0.00 H ATOM 599 1HB LEU A 36 4.314 13.881 1.316 1.00 0.00 H ATOM 600 2HB LEU A 36 5.855 13.236 1.890 1.00 0.00 H ATOM 601 HG LEU A 36 4.611 12.771 -0.843 1.00 0.00 H ATOM 602 1HD1 LEU A 36 6.538 14.076 -1.624 1.00 0.00 H ATOM 603 2HD1 LEU A 36 5.513 15.016 -0.514 1.00 0.00 H ATOM 604 3HD1 LEU A 36 7.050 14.328 0.061 1.00 0.00 H ATOM 605 1HD2 LEU A 36 6.726 11.589 -1.336 1.00 0.00 H ATOM 606 2HD2 LEU A 36 7.242 11.806 0.354 1.00 0.00 H ATOM 607 3HD2 LEU A 36 5.834 10.784 -0.023 1.00 0.00 H ATOM 608 N LYS A 37 2.951 12.740 3.650 1.00 0.00 N ATOM 609 CA LYS A 37 2.592 12.999 5.038 1.00 0.00 C ATOM 610 C LYS A 37 2.232 11.709 5.765 1.00 0.00 C ATOM 611 O LYS A 37 2.588 11.520 6.927 1.00 0.00 O ATOM 612 CB LYS A 37 1.427 13.988 5.115 1.00 0.00 C ATOM 613 CG LYS A 37 1.764 15.394 4.637 1.00 0.00 C ATOM 614 CD LYS A 37 2.720 16.089 5.595 1.00 0.00 C ATOM 615 CE LYS A 37 2.032 16.445 6.905 1.00 0.00 C ATOM 616 NZ LYS A 37 2.939 17.178 7.829 1.00 0.00 N ATOM 617 H LYS A 37 2.382 13.132 2.913 1.00 0.00 H ATOM 618 HA LYS A 37 3.447 13.455 5.538 1.00 0.00 H ATOM 619 1HB LYS A 37 0.597 13.620 4.511 1.00 0.00 H ATOM 620 2HB LYS A 37 1.077 14.059 6.145 1.00 0.00 H ATOM 621 1HG LYS A 37 2.225 15.343 3.650 1.00 0.00 H ATOM 622 2HG LYS A 37 0.849 15.981 4.561 1.00 0.00 H ATOM 623 1HD LYS A 37 3.566 15.433 5.805 1.00 0.00 H ATOM 624 2HD LYS A 37 3.097 17.002 5.134 1.00 0.00 H ATOM 625 1HE LYS A 37 1.161 17.066 6.701 1.00 0.00 H ATOM 626 2HE LYS A 37 1.693 15.533 7.397 1.00 0.00 H ATOM 627 1HZ LYS A 37 2.446 17.395 8.683 1.00 0.00 H ATOM 628 2HZ LYS A 37 3.742 16.603 8.040 1.00 0.00 H ATOM 629 3HZ LYS A 37 3.245 18.035 7.391 1.00 0.00 H ATOM 630 N ILE A 38 1.525 10.823 5.071 1.00 0.00 N ATOM 631 CA ILE A 38 1.121 9.546 5.647 1.00 0.00 C ATOM 632 C ILE A 38 2.330 8.668 5.943 1.00 0.00 C ATOM 633 O ILE A 38 2.434 8.082 7.021 1.00 0.00 O ATOM 634 CB ILE A 38 0.160 8.798 4.705 1.00 0.00 C ATOM 635 CG1 ILE A 38 -1.184 9.527 4.624 1.00 0.00 C ATOM 636 CG2 ILE A 38 -0.036 7.365 5.174 1.00 0.00 C ATOM 637 CD1 ILE A 38 -2.067 9.055 3.492 1.00 0.00 C ATOM 638 H ILE A 38 1.261 11.041 4.121 1.00 0.00 H ATOM 639 HA ILE A 38 0.592 9.739 6.581 1.00 0.00 H ATOM 640 HB ILE A 38 0.574 8.787 3.697 1.00 0.00 H ATOM 641 1HG1 ILE A 38 -1.727 9.394 5.559 1.00 0.00 H ATOM 642 2HG1 ILE A 38 -1.011 10.596 4.497 1.00 0.00 H ATOM 643 1HG2 ILE A 38 -0.719 6.851 4.498 1.00 0.00 H ATOM 644 2HG2 ILE A 38 0.924 6.850 5.182 1.00 0.00 H ATOM 645 3HG2 ILE A 38 -0.455 7.365 6.181 1.00 0.00 H ATOM 646 1HD1 ILE A 38 -3.001 9.619 3.499 1.00 0.00 H ATOM 647 2HD1 ILE A 38 -1.556 9.212 2.541 1.00 0.00 H ATOM 648 3HD1 ILE A 38 -2.283 7.995 3.617 1.00 0.00 H ATOM 649 N TRP A 39 3.241 8.581 4.981 1.00 0.00 N ATOM 650 CA TRP A 39 4.430 7.750 5.125 1.00 0.00 C ATOM 651 C TRP A 39 5.257 8.173 6.333 1.00 0.00 C ATOM 652 O TRP A 39 5.673 7.338 7.136 1.00 0.00 O ATOM 653 CB TRP A 39 5.291 7.826 3.862 1.00 0.00 C ATOM 654 CG TRP A 39 6.518 6.968 3.922 1.00 0.00 C ATOM 655 CD1 TRP A 39 6.619 5.662 3.546 1.00 0.00 C ATOM 656 CD2 TRP A 39 7.834 7.354 4.387 1.00 0.00 C ATOM 657 NE1 TRP A 39 7.900 5.210 3.745 1.00 0.00 N ATOM 658 CE2 TRP A 39 8.658 6.233 4.258 1.00 0.00 C ATOM 659 CE3 TRP A 39 8.371 8.544 4.895 1.00 0.00 C ATOM 660 CZ2 TRP A 39 9.995 6.259 4.620 1.00 0.00 C ATOM 661 CZ3 TRP A 39 9.713 8.571 5.256 1.00 0.00 C ATOM 662 CH2 TRP A 39 10.503 7.458 5.121 1.00 0.00 C ATOM 663 H TRP A 39 3.107 9.104 4.128 1.00 0.00 H ATOM 664 HA TRP A 39 4.114 6.714 5.263 1.00 0.00 H ATOM 665 1HB TRP A 39 4.699 7.518 3.000 1.00 0.00 H ATOM 666 2HB TRP A 39 5.601 8.857 3.695 1.00 0.00 H ATOM 667 HD1 TRP A 39 5.802 5.064 3.146 1.00 0.00 H ATOM 668 HE1 TRP A 39 8.232 4.277 3.548 1.00 0.00 H ATOM 669 HE3 TRP A 39 7.748 9.432 5.001 1.00 0.00 H ATOM 670 HZ2 TRP A 39 10.640 5.385 4.521 1.00 0.00 H ATOM 671 HZ3 TRP A 39 10.122 9.501 5.651 1.00 0.00 H ATOM 672 HH2 TRP A 39 11.552 7.514 5.414 1.00 0.00 H ATOM 673 N GLU A 40 5.488 9.476 6.457 1.00 0.00 N ATOM 674 CA GLU A 40 6.308 10.007 7.540 1.00 0.00 C ATOM 675 C GLU A 40 5.657 9.762 8.895 1.00 0.00 C ATOM 676 O GLU A 40 6.335 9.426 9.867 1.00 0.00 O ATOM 677 CB GLU A 40 6.546 11.506 7.342 1.00 0.00 C ATOM 678 CG GLU A 40 7.494 11.847 6.202 1.00 0.00 C ATOM 679 CD GLU A 40 7.777 13.320 6.096 1.00 0.00 C ATOM 680 OE1 GLU A 40 7.133 14.079 6.780 1.00 0.00 O ATOM 681 OE2 GLU A 40 8.638 13.686 5.331 1.00 0.00 O ATOM 682 H GLU A 40 5.087 10.113 5.785 1.00 0.00 H ATOM 683 HA GLU A 40 7.276 9.505 7.520 1.00 0.00 H ATOM 684 1HB GLU A 40 5.595 12.003 7.147 1.00 0.00 H ATOM 685 2HB GLU A 40 6.956 11.933 8.257 1.00 0.00 H ATOM 686 1HG GLU A 40 8.434 11.318 6.354 1.00 0.00 H ATOM 687 2HG GLU A 40 7.060 11.497 5.266 1.00 0.00 H ATOM 688 N ARG A 41 4.341 9.930 8.953 1.00 0.00 N ATOM 689 CA ARG A 41 3.595 9.716 10.187 1.00 0.00 C ATOM 690 C ARG A 41 3.675 8.261 10.635 1.00 0.00 C ATOM 691 O ARG A 41 3.865 7.974 11.817 1.00 0.00 O ATOM 692 CB ARG A 41 2.136 10.108 10.006 1.00 0.00 C ATOM 693 CG ARG A 41 1.260 9.894 11.230 1.00 0.00 C ATOM 694 CD ARG A 41 1.641 10.801 12.344 1.00 0.00 C ATOM 695 NE ARG A 41 0.849 10.556 13.538 1.00 0.00 N ATOM 696 CZ ARG A 41 1.148 9.640 14.480 1.00 0.00 C ATOM 697 NH1 ARG A 41 2.222 8.893 14.353 1.00 0.00 N ATOM 698 NH2 ARG A 41 0.362 9.493 15.532 1.00 0.00 N ATOM 699 H ARG A 41 3.844 10.214 8.121 1.00 0.00 H ATOM 700 HA ARG A 41 4.027 10.345 10.966 1.00 0.00 H ATOM 701 1HB ARG A 41 2.074 11.161 9.736 1.00 0.00 H ATOM 702 2HB ARG A 41 1.704 9.534 9.187 1.00 0.00 H ATOM 703 1HG ARG A 41 0.219 10.089 10.971 1.00 0.00 H ATOM 704 2HG ARG A 41 1.361 8.865 11.576 1.00 0.00 H ATOM 705 1HD ARG A 41 2.691 10.648 12.594 1.00 0.00 H ATOM 706 2HD ARG A 41 1.488 11.835 12.039 1.00 0.00 H ATOM 707 HE ARG A 41 0.015 11.111 13.671 1.00 0.00 H ATOM 708 1HH1 ARG A 41 2.823 9.005 13.549 1.00 0.00 H ATOM 709 2HH1 ARG A 41 2.446 8.207 15.059 1.00 0.00 H ATOM 710 1HH2 ARG A 41 -0.464 10.068 15.630 1.00 0.00 H ATOM 711 2HH2 ARG A 41 0.586 8.808 16.238 1.00 0.00 H ATOM 712 N LEU A 42 3.531 7.346 9.681 1.00 0.00 N ATOM 713 CA LEU A 42 3.564 5.919 9.979 1.00 0.00 C ATOM 714 C LEU A 42 4.924 5.501 10.520 1.00 0.00 C ATOM 715 O LEU A 42 5.013 4.728 11.474 1.00 0.00 O ATOM 716 CB LEU A 42 3.236 5.106 8.721 1.00 0.00 C ATOM 717 CG LEU A 42 1.786 5.200 8.228 1.00 0.00 C ATOM 718 CD1 LEU A 42 1.681 4.583 6.839 1.00 0.00 C ATOM 719 CD2 LEU A 42 0.868 4.491 9.212 1.00 0.00 C ATOM 720 H LEU A 42 3.395 7.647 8.727 1.00 0.00 H ATOM 721 HA LEU A 42 2.806 5.706 10.733 1.00 0.00 H ATOM 722 1HB LEU A 42 3.883 5.442 7.912 1.00 0.00 H ATOM 723 2HB LEU A 42 3.451 4.057 8.919 1.00 0.00 H ATOM 724 HG LEU A 42 1.495 6.248 8.149 1.00 0.00 H ATOM 725 1HD1 LEU A 42 0.651 4.649 6.489 1.00 0.00 H ATOM 726 2HD1 LEU A 42 2.333 5.121 6.151 1.00 0.00 H ATOM 727 3HD1 LEU A 42 1.982 3.537 6.883 1.00 0.00 H ATOM 728 1HD2 LEU A 42 -0.162 4.558 8.862 1.00 0.00 H ATOM 729 2HD2 LEU A 42 1.157 3.443 9.290 1.00 0.00 H ATOM 730 3HD2 LEU A 42 0.950 4.964 10.191 1.00 0.00 H ATOM 731 N GLY A 43 5.985 6.016 9.906 1.00 0.00 N ATOM 732 CA GLY A 43 7.342 5.753 10.370 1.00 0.00 C ATOM 733 C GLY A 43 7.988 4.627 9.573 1.00 0.00 C ATOM 734 O GLY A 43 7.305 3.723 9.090 1.00 0.00 O ATOM 735 OXT GLY A 43 9.176 4.614 9.407 1.00 0.00 O ATOM 736 H GLY A 43 5.846 6.604 9.097 1.00 0.00 H ATOM 737 1HA GLY A 43 7.940 6.660 10.277 1.00 0.00 H ATOM 738 2HA GLY A 43 7.320 5.490 11.427 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE start21_0159_0002.pdb label fa_atr fa_rep fa_sol fa_intra_atr_xover4 fa_intra_rep_xover4 fa_intra_sol_xover4 lk_ball lk_ball_iso lk_ball_bridge lk_ball_bridge_uncpl fa_elec fa_intra_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun_dev fa_dun_rot fa_dun_semi p_aa_pp hxl_tors ref rama_prepro gen_bonded total weights 1 0.55 1 1 0.55 1 0.92 -0.38 -0.33 -0.33 1 1 1.25 1 1 1 1 1.25 0.48 0.69 0.76 0.78 0.61 1 1 0.5 1 NA pose -233.751 33.6031 136.327 -22.5383 21.3864 13.7464 78.4548 -87.5297 -0.11158 -0.87491 -52.2696 -15.6127 0 -28.1601 -3.72162 -1.25713 0 0 2.52997 4.86398 27.9968 28.7036 -13.4463 13.896 -8.80684 2.95639 0 -103.615 THR:NtermProteinFull_1 -3.62604 0.51942 1.98201 -0.20225 0.3327 0.08547 1.46032 -1.27682 -0 -0 -0.62354 -1.20372 0 0 0 0 0 0 0.21662 0.00349 0.13836 0 0 2.2874 -1.0874 0 0 -0.994 ILE_2 -7.23252 0.96491 2.85986 -0.76403 1.2811 0.2724 1.69019 -2.17334 -0 -0 -1.64908 0.50628 0 0 0 0 0 0 0.06902 0.05897 1.01433 0 0.0763 0 0.73287 -0.00821 0 -2.30095 GLU_3 -4.57527 0.45933 4.17707 -0.43996 0.10936 1.26882 1.31479 -2.1405 -0.0165 -0.10908 -0.71351 -2.18014 0 0 0 0 0 0 -0.05242 0.12577 0 4.06558 -0.22831 0 -2.7348 -0.15843 0 -1.82821 ILE_4 -6.48857 1.09887 3.52377 -0.71292 1.47038 0.16351 1.84574 -2.2134 -0.02175 -0.1848 -0.74636 0.3285 0 0 0 0 0 0 0.06491 0.01571 0.78002 0 -0.40312 0 0.73287 -0.13097 0 -0.87762 LEU_5 -7.89067 1.01233 3.28443 -0.52504 0.81513 0.12857 2.52276 -2.70158 -0 -0 -1.51218 0.29314 0 0 0 0 0 0 0.17468 0.06159 0.26982 0 -0.30063 0 0.18072 -0.00503 0 -4.19197 PHE_6 -10.77 2.22214 3.62834 -0.91141 0.04555 0.29361 3.12369 -3.17547 -0 -0 -2.36686 -0.03585 0 0 0 0 0 0 0.00668 0.04699 0 1.78077 -0.51847 0 1.0402 0.38028 0 -5.20979 GLU_7 -4.61119 0.1953 4.83557 -0.21528 0.0243 0.28823 2.07353 -2.34944 -0.00525 -0.07572 -1.3521 -0.57791 0 0 0 0 0 0 0.02048 0.12604 0 2.99957 -0.28493 0 -2.7348 0.18317 0 -1.46044 LEU_8 -7.43709 0.96857 3.97142 -0.50574 0.49792 0.12174 2.58859 -2.68871 -0 -0 -1.82171 0.24143 0 0 0 0 0 0 0.12295 0.07094 0.33522 0 -0.29923 0 0.18072 -0.29186 0 -3.94482 ALA_9 -6.86046 0.73181 3.20231 -0.02185 0 0 3.13028 -2.8973 -0 -0 -2.47911 -0.35539 0 0 0 0 0 0 0.17248 0 0 0 -0.18422 0 1.8394 -0.14227 0 -3.86432 LEU_10 -6.23889 0.97021 4.04323 -0.51575 0.8219 0.11955 2.28332 -2.45647 -0 -0 -1.89197 0.30821 0 0 0 0 0 0 0.0464 0.05371 0.57637 0 -0.22455 0 0.18072 0.10445 0 -1.81955 LEU_11 -6.46539 0.9897 4.13944 -0.6948 3.57405 0.31072 2.86734 -2.67107 -0.01635 -0.08451 -2.20707 -0.11782 0 0 0 0 0 0 0.08172 0.07985 1.03251 0 -0.16951 0 0.18072 0.68522 0 1.51477 LEU_12 -9.64551 1.85154 4.6295 -0.68411 1.49982 0.27211 3.24717 -3.56079 -0 -0 -2.83395 -0.0536 0 0 0 0 0 0 0.32187 0.21317 1.00194 0 -0.16565 0 0.18072 1.02464 0 -2.70112 LEU_13 -6.14964 1.11477 2.56155 -0.50273 0.41606 0.12048 1.40188 -2.03727 -0 -0 -0.77098 0.23508 0 0 0 0 0 0 0.01522 0.18309 0.32737 0 -0.30764 0 0.18072 0.43103 0 -2.78103 ARG_14 -2.95807 0.14801 3.03034 -1.59388 0.60166 1.49753 1.26912 -1.48295 -0 -0 -0.67447 -0.95899 0 0 0 0 0 0 0.1272 0.01137 3.30903 0 -0.08229 0 -1.2888 0.04661 0 1.00141 LEU_15 -4.6151 0.63997 2.15757 -0.51705 0.47351 0.11916 1.30049 -1.51549 -0 -0 -0.7819 -0.01121 0 0 0 0 0 0 0.00711 0.12049 2.89162 0 -0.27995 0 0.18072 0.11559 0 0.28552 GLY_16 -1.5743 0.05024 2.08732 -5e-05 0 0 0.99632 -1.03278 -0.01284 -0.05142 -0.57466 -0.37903 0 0 0 0 0 0 -0.08561 0 0 0 -1.3912 0 0.83697 0.37142 0 -0.75962 THR_17 -3.92615 0.87502 2.56097 -0.22896 0.22764 0.09321 1.60026 -1.63406 -0.01153 -0.1563 -0.52167 -1.25283 0 0 0 0 0 0 0.34052 0.02862 1.0731 0 -0.1178 2.36631 -1.0874 0.30451 0 0.53344 THR_18 -3.18527 0.36922 1.2319 -0.11993 0.05917 0.07692 0.62017 -1.0096 -0.00802 -0.12321 -0.68613 -0.55848 0 0 0 0 0 0 0.02171 5e-05 0.06744 0 -0.19709 2.35 -1.0874 -0.29371 0 -2.47229 VAL_19 -5.78533 1.03711 1.41892 -0.30926 0.21737 0.0656 1.98524 -1.62385 -0 -0 -1.53969 -0.47845 0 0 0 0 0 0 -0.01129 0.09126 0.19146 0 -0.27336 0 1.9342 -0.39412 0 -3.4742 GLU_20 -2.93266 0.30186 1.73921 -0.2942 0.07793 0.34393 0.41854 -0.91903 -0 -0 -0.69948 -0.28341 0 0 0 0 0 0 -0.03566 0.16624 0 2.90661 -0.18997 0 -2.7348 0.23091 0 -1.90399 TRP_21 -7.11358 1.54195 2.69071 -1.27256 0.06584 0.42779 1.82511 -1.97978 -0 -0 -0.844 -0.90461 0 0 0 0 0 0 0.22114 0.5526 0 1.95266 -0.29614 0 1.6906 1.04822 0 -0.39403 ASN_22 -2.74664 0.64232 1.94258 -0.37903 0.08725 0.77241 0.55634 -1.06107 -0 -0 0.63193 -0.8548 0 0 0 0 0 0 0.37898 0.00623 0 1.76652 -0.96963 0 -0.93687 0.43479 0 0.27132 GLY_23 -1.14593 0.13496 1.50907 -6e-05 0 0 0.11136 -0.74147 -0.00536 -0.01759 -0.02482 -0.41567 0 0 0 0 0 0 -0.15614 0 0 0 -1.46461 0 0.83697 -0.60394 0 -1.98325 LEU_24 -4.73358 0.79494 3.13863 -0.66017 1.43581 0.25585 2.09817 -2.00052 -0.00368 -0.0141 -1.71141 0.06605 0 0 0 0 0 0 -0.04482 0.11439 1.43321 0 -0.36914 0 0.18072 -0.47692 0 -0.49656 THR_25 -3.34267 0.4191 1.68993 -0.12814 0.04831 0.09701 0.32084 -1.14184 -0.00536 -0.01759 -0.70012 -0.84819 0 0 0 0 0 0 0.20961 0.00022 1.26495 0 -0.17519 2.28511 -1.0874 -0.04283 0 -1.15426 ILE_26 -7.62401 2.00498 0.82451 -0.50315 0.67327 0.12165 2.24321 -1.93631 -0.00368 -0.0141 -1.32191 -0.1785 0 0 0 0 0 0 0.3464 0.92486 0.25896 0 -0.49305 0 0.73287 0.11608 0 -3.82791 THR_27 -2.44522 0.24497 0.91971 -0.12118 0.05771 0.07915 0.1565 -0.79429 -0 -0 0.05714 -1.05104 0 0 0 0 0 0 -0.01801 0.00024 0.05862 0 -0.50777 2.28985 -1.0874 -0.04805 0 -2.20908 THR_28 -5.08552 0.52385 3.68539 -0.22152 0.17252 0.09404 2.53342 -2.18868 -0 -0 -1.05853 -1.37447 0 0 0 -0.62857 0 0 0.01755 0.18356 0.82647 0 -0.05208 2.31737 -1.0874 -0.14061 0 -1.48321 GLU_29 -4.31273 0.45556 2.76183 -0.45338 0.12739 1.31137 1.40164 -1.70454 -0 -0 -1.62133 -2.10082 0 0 0 0 0 0 -0.05249 0.00573 0 3.83802 -0.21417 0 -2.7348 -0.25543 0 -3.54816 GLU_30 -3.45815 0.21054 3.70179 -0.21419 0.02906 0.29615 1.71587 -1.72732 -0 -0 -0.99809 -0.58047 0 0 0 -0.62857 0 0 -0.00047 0.01023 0 3.02548 -0.24152 0 -2.7348 -0.43696 0 -2.03144 ILE_31 -5.9602 1.12874 3.38898 -0.5164 0.75792 0.10121 2.26659 -2.22743 -0 -0 -0.83988 0.06303 0 0 0 0 0 0 0.00237 0.25267 0.77197 0 -0.4622 0 0.73287 -0.11957 0 -0.65933 ALA_32 -6.85944 0.86095 2.38005 -0.02168 0 0 2.32537 -2.6035 -0 -0 -1.14112 -0.35998 0 0 0 0 0 0 -0.00213 0 0 0 -0.28485 0 1.8394 0.05824 0 -3.80869 TRP_33 -6.65362 0.5956 5.4258 -1.33472 0.13656 0.51585 2.47833 -2.70756 -0 -0 -2.05018 -0.2728 0 0 0 0 0 0 -0.00577 0.01754 0 1.66316 -0.28886 0 1.6906 0.14206 0 -0.648 ARG_34 -6.3634 0.49585 5.59719 -1.00329 0.5311 0.86693 2.52045 -2.72289 -0 -0 -1.67814 0.07532 0 0 0 0 0 0 -0.03049 0.13062 2.92836 0 -0.128 0 -1.2888 0.09998 0 0.03079 ILE_35 -9.34881 1.50253 3.64639 -0.51599 0.63684 0.10221 2.90483 -3.06817 -0 -0 -2.21442 0.10835 0 0 0 0 0 0 -0.03949 0.28943 0.58772 0 -0.37455 0 0.73287 0.20196 0 -4.8483 LEU_36 -8.65981 2.02451 3.93333 -0.52551 0.92645 0.12519 2.87251 -2.89536 -0 -0 -1.80316 0.33312 0 0 0 0 0 0 0.00762 0.57781 0.36983 0 -0.26806 0 0.18072 0.28084 0 -2.51996 LYS_37 -5.59812 0.31618 5.43566 -0.78574 1.32231 0.4618 2.25954 -2.41449 -0.00062 -0.01325 -2.03111 0.33002 0 0 0 0 0 0 -0.00829 0.02421 2.20413 0 -0.01675 0 -1.5107 -0.11567 0 -0.14088 ILE_38 -7.22897 0.65241 5.07071 -0.51299 0.60778 0.10065 2.77773 -2.79503 -0 -0 -1.91531 0.10473 0 0 0 0 0 0 -0.06901 0.07291 0.54853 0 -0.46333 0 0.73287 0.04921 0 -2.2671 TRP_39 -9.71803 1.48252 4.57353 -1.31822 0.12634 0.50784 2.28389 -2.99936 -0 -0 -1.28819 -0.25559 0 0 0 0 0 0 -0.01863 0.01057 0 1.69211 -0.2903 0 1.6906 0.3397 0 -3.18122 GLU_40 -4.29466 0.42679 4.42263 -0.21394 0.0236 0.28513 1.38307 -2.1115 -0.00062 -0.01325 -0.74444 -0.57486 0 0 0 0 0 0 0.0097 0.14442 0 3.01308 -0.24304 0 -2.7348 -0.04353 0 -1.26623 ARG_41 -2.8626 0.14322 3.51458 -1.57632 0.59294 1.46549 1.40783 -1.61416 -0 -0 -0.6831 -0.89529 0 0 0 0 0 0 -0.03104 0.0043 3.28567 0 -0.04825 0 -1.2888 -0.15027 0 1.26421 LEU_42 -3.91277 0.41698 2.81002 -0.50058 0.48187 0.11715 1.41633 -1.54904 -0 -0 -1.18984 0.25745 0 0 0 0 0 0 0.18881 0.08411 0.44981 0 -0.25311 0 0.18072 0.10351 0 -0.89859 GLY:CtermProteinFull_43 -1.31413 0.06332 2.19905 -0.0003 0 0 0.85616 -0.98546 -0 -0 -0.65316 0.2505 0 0 0 0 0 0 0 0 0 0 0 0 0.83697 0.06234 0 1.3153 #END_POSE_ENERGIES_TABLE start21_0159_0002.pdb score_per_res -2.73072 total_score -117.421
HEEH_KT_rd6_2974.pdb
ATOM 1 N LEU A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA LEU A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C LEU A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O LEU A 1 1.261 2.387 -0.145 1.00 0.00 O ATOM 5 CB LEU A 1 1.988 -0.761 -1.222 1.00 0.00 C ATOM 6 CG LEU A 1 1.554 -2.228 -1.332 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.096 -2.823 -2.624 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.059 -2.999 -0.121 1.00 0.00 C ATOM 9 1H LEU A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 10 2H LEU A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 11 3H LEU A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 12 HA LEU A 1 1.804 -0.509 0.900 1.00 0.00 H ATOM 13 1HB LEU A 1 1.653 -0.248 -2.122 1.00 0.00 H ATOM 14 2HB LEU A 1 3.077 -0.738 -1.200 1.00 0.00 H ATOM 15 HG LEU A 1 0.466 -2.284 -1.370 1.00 0.00 H ATOM 16 1HD1 LEU A 1 1.788 -3.866 -2.702 1.00 0.00 H ATOM 17 2HD1 LEU A 1 1.704 -2.265 -3.474 1.00 0.00 H ATOM 18 3HD1 LEU A 1 3.184 -2.766 -2.623 1.00 0.00 H ATOM 19 1HD2 LEU A 1 1.750 -4.042 -0.199 1.00 0.00 H ATOM 20 2HD2 LEU A 1 3.148 -2.944 -0.083 1.00 0.00 H ATOM 21 3HD2 LEU A 1 1.642 -2.563 0.787 1.00 0.00 H ATOM 22 N GLU A 2 3.322 1.540 0.162 1.00 0.00 N ATOM 23 CA GLU A 2 3.957 2.841 0.341 1.00 0.00 C ATOM 24 C GLU A 2 3.820 3.697 -0.912 1.00 0.00 C ATOM 25 O GLU A 2 3.563 4.898 -0.830 1.00 0.00 O ATOM 26 CB GLU A 2 5.436 2.669 0.694 1.00 0.00 C ATOM 27 CG GLU A 2 5.689 2.088 2.078 1.00 0.00 C ATOM 28 CD GLU A 2 7.149 1.868 2.362 1.00 0.00 C ATOM 29 OE1 GLU A 2 7.942 2.050 1.470 1.00 0.00 O ATOM 30 OE2 GLU A 2 7.471 1.516 3.473 1.00 0.00 O ATOM 31 H GLU A 2 3.896 0.709 0.163 1.00 0.00 H ATOM 32 HA GLU A 2 3.467 3.353 1.170 1.00 0.00 H ATOM 33 1HB GLU A 2 5.910 2.013 -0.036 1.00 0.00 H ATOM 34 2HB GLU A 2 5.938 3.635 0.640 1.00 0.00 H ATOM 35 1HG GLU A 2 5.284 2.770 2.826 1.00 0.00 H ATOM 36 2HG GLU A 2 5.159 1.141 2.165 1.00 0.00 H ATOM 37 N VAL A 3 3.992 3.071 -2.072 1.00 0.00 N ATOM 38 CA VAL A 3 3.900 3.777 -3.344 1.00 0.00 C ATOM 39 C VAL A 3 2.500 4.335 -3.564 1.00 0.00 C ATOM 40 O VAL A 3 2.331 5.394 -4.170 1.00 0.00 O ATOM 41 CB VAL A 3 4.261 2.833 -4.506 1.00 0.00 C ATOM 42 CG1 VAL A 3 4.622 1.452 -3.979 1.00 0.00 C ATOM 43 CG2 VAL A 3 3.101 2.750 -5.486 1.00 0.00 C ATOM 44 H VAL A 3 4.192 2.081 -2.072 1.00 0.00 H ATOM 45 HA VAL A 3 4.609 4.605 -3.333 1.00 0.00 H ATOM 46 HB VAL A 3 5.142 3.222 -5.017 1.00 0.00 H ATOM 47 1HG1 VAL A 3 4.875 0.798 -4.814 1.00 0.00 H ATOM 48 2HG1 VAL A 3 5.477 1.531 -3.308 1.00 0.00 H ATOM 49 3HG1 VAL A 3 3.772 1.036 -3.438 1.00 0.00 H ATOM 50 1HG2 VAL A 3 3.364 2.082 -6.305 1.00 0.00 H ATOM 51 2HG2 VAL A 3 2.218 2.366 -4.973 1.00 0.00 H ATOM 52 3HG2 VAL A 3 2.887 3.743 -5.882 1.00 0.00 H ATOM 53 N HIS A 4 1.497 3.617 -3.069 1.00 0.00 N ATOM 54 CA HIS A 4 0.110 4.046 -3.199 1.00 0.00 C ATOM 55 C HIS A 4 -0.103 5.420 -2.574 1.00 0.00 C ATOM 56 O HIS A 4 -0.670 6.316 -3.200 1.00 0.00 O ATOM 57 CB HIS A 4 -0.834 3.030 -2.548 1.00 0.00 C ATOM 58 CG HIS A 4 -2.280 3.408 -2.641 1.00 0.00 C ATOM 59 ND1 HIS A 4 -2.988 3.357 -3.823 1.00 0.00 N ATOM 60 CD2 HIS A 4 -3.150 3.843 -1.699 1.00 0.00 C ATOM 61 CE1 HIS A 4 -4.233 3.744 -3.604 1.00 0.00 C ATOM 62 NE2 HIS A 4 -4.356 4.044 -2.324 1.00 0.00 N ATOM 63 H HIS A 4 1.702 2.753 -2.589 1.00 0.00 H ATOM 64 HA HIS A 4 -0.136 4.103 -4.260 1.00 0.00 H ATOM 65 1HB HIS A 4 -0.704 2.057 -3.023 1.00 0.00 H ATOM 66 2HB HIS A 4 -0.577 2.918 -1.495 1.00 0.00 H ATOM 67 HD2 HIS A 4 -2.934 4.003 -0.643 1.00 0.00 H ATOM 68 HE1 HIS A 4 -5.023 3.805 -4.352 1.00 0.00 H ATOM 69 HE2 HIS A 4 -5.199 4.369 -1.872 1.00 0.00 H ATOM 70 N GLU A 5 0.355 5.579 -1.337 1.00 0.00 N ATOM 71 CA GLU A 5 0.232 6.849 -0.633 1.00 0.00 C ATOM 72 C GLU A 5 1.113 7.918 -1.267 1.00 0.00 C ATOM 73 O GLU A 5 0.702 9.069 -1.410 1.00 0.00 O ATOM 74 CB GLU A 5 0.601 6.679 0.842 1.00 0.00 C ATOM 75 CG GLU A 5 -0.393 5.854 1.647 1.00 0.00 C ATOM 76 CD GLU A 5 0.034 5.653 3.075 1.00 0.00 C ATOM 77 OE1 GLU A 5 1.128 6.042 3.408 1.00 0.00 O ATOM 78 OE2 GLU A 5 -0.734 5.109 3.833 1.00 0.00 O ATOM 79 H GLU A 5 0.799 4.800 -0.873 1.00 0.00 H ATOM 80 HA GLU A 5 -0.808 7.176 -0.686 1.00 0.00 H ATOM 81 1HB GLU A 5 1.576 6.198 0.920 1.00 0.00 H ATOM 82 2HB GLU A 5 0.681 7.659 1.313 1.00 0.00 H ATOM 83 1HG GLU A 5 -1.360 6.357 1.637 1.00 0.00 H ATOM 84 2HG GLU A 5 -0.515 4.883 1.169 1.00 0.00 H ATOM 85 N PHE A 6 2.326 7.530 -1.645 1.00 0.00 N ATOM 86 CA PHE A 6 3.268 8.454 -2.265 1.00 0.00 C ATOM 87 C PHE A 6 2.658 9.121 -3.491 1.00 0.00 C ATOM 88 O PHE A 6 2.744 10.339 -3.654 1.00 0.00 O ATOM 89 CB PHE A 6 4.552 7.723 -2.661 1.00 0.00 C ATOM 90 CG PHE A 6 5.560 8.599 -3.350 1.00 0.00 C ATOM 91 CD1 PHE A 6 6.359 9.468 -2.622 1.00 0.00 C ATOM 92 CD2 PHE A 6 5.711 8.557 -4.728 1.00 0.00 C ATOM 93 CE1 PHE A 6 7.286 10.274 -3.255 1.00 0.00 C ATOM 94 CE2 PHE A 6 6.637 9.360 -5.363 1.00 0.00 C ATOM 95 CZ PHE A 6 7.426 10.220 -4.625 1.00 0.00 C ATOM 96 H PHE A 6 2.603 6.570 -1.499 1.00 0.00 H ATOM 97 HA PHE A 6 3.525 9.225 -1.538 1.00 0.00 H ATOM 98 1HB PHE A 6 5.020 7.301 -1.773 1.00 0.00 H ATOM 99 2HB PHE A 6 4.309 6.896 -3.327 1.00 0.00 H ATOM 100 HD1 PHE A 6 6.249 9.509 -1.538 1.00 0.00 H ATOM 101 HD2 PHE A 6 5.088 7.878 -5.311 1.00 0.00 H ATOM 102 HE1 PHE A 6 7.907 10.952 -2.670 1.00 0.00 H ATOM 103 HE2 PHE A 6 6.746 9.317 -6.447 1.00 0.00 H ATOM 104 HZ PHE A 6 8.155 10.856 -5.125 1.00 0.00 H ATOM 105 N LEU A 7 2.043 8.318 -4.351 1.00 0.00 N ATOM 106 CA LEU A 7 1.437 8.826 -5.576 1.00 0.00 C ATOM 107 C LEU A 7 0.411 9.910 -5.275 1.00 0.00 C ATOM 108 O LEU A 7 0.372 10.944 -5.942 1.00 0.00 O ATOM 109 CB LEU A 7 0.769 7.683 -6.351 1.00 0.00 C ATOM 110 CG LEU A 7 0.086 8.081 -7.666 1.00 0.00 C ATOM 111 CD1 LEU A 7 1.120 8.662 -8.620 1.00 0.00 C ATOM 112 CD2 LEU A 7 -0.596 6.864 -8.273 1.00 0.00 C ATOM 113 H LEU A 7 1.994 7.329 -4.152 1.00 0.00 H ATOM 114 HA LEU A 7 2.223 9.253 -6.201 1.00 0.00 H ATOM 115 1HB LEU A 7 1.524 6.934 -6.584 1.00 0.00 H ATOM 116 2HB LEU A 7 0.015 7.224 -5.712 1.00 0.00 H ATOM 117 HG LEU A 7 -0.658 8.854 -7.470 1.00 0.00 H ATOM 118 1HD1 LEU A 7 0.635 8.945 -9.555 1.00 0.00 H ATOM 119 2HD1 LEU A 7 1.578 9.543 -8.169 1.00 0.00 H ATOM 120 3HD1 LEU A 7 1.888 7.916 -8.822 1.00 0.00 H ATOM 121 1HD2 LEU A 7 -1.082 7.147 -9.207 1.00 0.00 H ATOM 122 2HD2 LEU A 7 0.148 6.091 -8.470 1.00 0.00 H ATOM 123 3HD2 LEU A 7 -1.342 6.480 -7.577 1.00 0.00 H ATOM 124 N GLU A 8 -0.418 9.669 -4.265 1.00 0.00 N ATOM 125 CA GLU A 8 -1.464 10.613 -3.890 1.00 0.00 C ATOM 126 C GLU A 8 -0.873 11.952 -3.469 1.00 0.00 C ATOM 127 O GLU A 8 -1.425 13.009 -3.775 1.00 0.00 O ATOM 128 CB GLU A 8 -2.316 10.042 -2.754 1.00 0.00 C ATOM 129 CG GLU A 8 -3.489 10.922 -2.344 1.00 0.00 C ATOM 130 CD GLU A 8 -4.351 10.292 -1.286 1.00 0.00 C ATOM 131 OE1 GLU A 8 -4.063 9.187 -0.892 1.00 0.00 O ATOM 132 OE2 GLU A 8 -5.299 10.916 -0.871 1.00 0.00 O ATOM 133 H GLU A 8 -0.322 8.809 -3.745 1.00 0.00 H ATOM 134 HA GLU A 8 -2.113 10.772 -4.753 1.00 0.00 H ATOM 135 1HB GLU A 8 -2.714 9.071 -3.050 1.00 0.00 H ATOM 136 2HB GLU A 8 -1.692 9.885 -1.874 1.00 0.00 H ATOM 137 1HG GLU A 8 -3.104 11.869 -1.966 1.00 0.00 H ATOM 138 2HG GLU A 8 -4.096 11.133 -3.223 1.00 0.00 H ATOM 139 N TRP A 9 0.255 11.901 -2.767 1.00 0.00 N ATOM 140 CA TRP A 9 0.940 13.111 -2.329 1.00 0.00 C ATOM 141 C TRP A 9 1.296 14.001 -3.513 1.00 0.00 C ATOM 142 O TRP A 9 1.113 15.218 -3.464 1.00 0.00 O ATOM 143 CB TRP A 9 2.210 12.755 -1.554 1.00 0.00 C ATOM 144 CG TRP A 9 2.970 13.951 -1.068 1.00 0.00 C ATOM 145 CD1 TRP A 9 2.760 14.635 0.092 1.00 0.00 C ATOM 146 CD2 TRP A 9 4.074 14.615 -1.731 1.00 0.00 C ATOM 147 NE1 TRP A 9 3.651 15.674 0.196 1.00 0.00 N ATOM 148 CE2 TRP A 9 4.464 15.676 -0.909 1.00 0.00 C ATOM 149 CE3 TRP A 9 4.752 14.396 -2.936 1.00 0.00 C ATOM 150 CZ2 TRP A 9 5.504 16.525 -1.252 1.00 0.00 C ATOM 151 CZ3 TRP A 9 5.796 15.247 -3.279 1.00 0.00 C ATOM 152 CH2 TRP A 9 6.163 16.283 -2.458 1.00 0.00 C ATOM 153 H TRP A 9 0.646 11.000 -2.530 1.00 0.00 H ATOM 154 HA TRP A 9 0.275 13.663 -1.664 1.00 0.00 H ATOM 155 1HB TRP A 9 1.949 12.141 -0.692 1.00 0.00 H ATOM 156 2HB TRP A 9 2.870 12.164 -2.189 1.00 0.00 H ATOM 157 HD1 TRP A 9 1.997 14.392 0.828 1.00 0.00 H ATOM 158 HE1 TRP A 9 3.701 16.331 0.962 1.00 0.00 H ATOM 159 HE3 TRP A 9 4.467 13.573 -3.591 1.00 0.00 H ATOM 160 HZ2 TRP A 9 5.810 17.354 -0.613 1.00 0.00 H ATOM 161 HZ3 TRP A 9 6.319 15.070 -4.220 1.00 0.00 H ATOM 162 HH2 TRP A 9 6.987 16.931 -2.757 1.00 0.00 H ATOM 163 N LEU A 10 1.805 13.388 -4.576 1.00 0.00 N ATOM 164 CA LEU A 10 2.248 14.131 -5.749 1.00 0.00 C ATOM 165 C LEU A 10 1.118 14.974 -6.326 1.00 0.00 C ATOM 166 O LEU A 10 1.276 16.174 -6.550 1.00 0.00 O ATOM 167 CB LEU A 10 2.773 13.167 -6.820 1.00 0.00 C ATOM 168 CG LEU A 10 4.104 12.475 -6.497 1.00 0.00 C ATOM 169 CD1 LEU A 10 4.388 11.405 -7.543 1.00 0.00 C ATOM 170 CD2 LEU A 10 5.218 13.511 -6.458 1.00 0.00 C ATOM 171 H LEU A 10 1.889 12.382 -4.571 1.00 0.00 H ATOM 172 HA LEU A 10 3.062 14.794 -5.453 1.00 0.00 H ATOM 173 1HB LEU A 10 2.028 12.390 -6.984 1.00 0.00 H ATOM 174 2HB LEU A 10 2.904 13.719 -7.751 1.00 0.00 H ATOM 175 HG LEU A 10 4.032 11.982 -5.527 1.00 0.00 H ATOM 176 1HD1 LEU A 10 5.333 10.914 -7.313 1.00 0.00 H ATOM 177 2HD1 LEU A 10 3.585 10.668 -7.536 1.00 0.00 H ATOM 178 3HD1 LEU A 10 4.449 11.867 -8.528 1.00 0.00 H ATOM 179 1HD2 LEU A 10 6.164 13.019 -6.227 1.00 0.00 H ATOM 180 2HD2 LEU A 10 5.292 14.003 -7.428 1.00 0.00 H ATOM 181 3HD2 LEU A 10 4.998 14.253 -5.690 1.00 0.00 H ATOM 182 N GLU A 11 -0.023 14.338 -6.567 1.00 0.00 N ATOM 183 CA GLU A 11 -1.163 15.013 -7.177 1.00 0.00 C ATOM 184 C GLU A 11 -1.717 16.095 -6.261 1.00 0.00 C ATOM 185 O GLU A 11 -2.396 17.017 -6.714 1.00 0.00 O ATOM 186 CB GLU A 11 -2.263 14.004 -7.514 1.00 0.00 C ATOM 187 CG GLU A 11 -1.904 13.030 -8.628 1.00 0.00 C ATOM 188 CD GLU A 11 -3.000 12.043 -8.919 1.00 0.00 C ATOM 189 OE1 GLU A 11 -3.974 12.039 -8.205 1.00 0.00 O ATOM 190 OE2 GLU A 11 -2.863 11.293 -9.856 1.00 0.00 O ATOM 191 H GLU A 11 -0.105 13.361 -6.321 1.00 0.00 H ATOM 192 HA GLU A 11 -0.833 15.476 -8.107 1.00 0.00 H ATOM 193 1HB GLU A 11 -2.507 13.421 -6.626 1.00 0.00 H ATOM 194 2HB GLU A 11 -3.166 14.536 -7.814 1.00 0.00 H ATOM 195 1HG GLU A 11 -1.689 13.595 -9.535 1.00 0.00 H ATOM 196 2HG GLU A 11 -1.000 12.491 -8.347 1.00 0.00 H ATOM 197 N ARG A 12 -1.425 15.978 -4.971 1.00 0.00 N ATOM 198 CA ARG A 12 -1.869 16.962 -3.991 1.00 0.00 C ATOM 199 C ARG A 12 -1.019 18.225 -4.055 1.00 0.00 C ATOM 200 O ARG A 12 -1.519 19.332 -3.862 1.00 0.00 O ATOM 201 CB ARG A 12 -1.808 16.384 -2.585 1.00 0.00 C ATOM 202 CG ARG A 12 -2.216 17.345 -1.480 1.00 0.00 C ATOM 203 CD ARG A 12 -3.651 17.718 -1.579 1.00 0.00 C ATOM 204 NE ARG A 12 -4.035 18.672 -0.551 1.00 0.00 N ATOM 205 CZ ARG A 12 -3.868 20.006 -0.645 1.00 0.00 C ATOM 206 NH1 ARG A 12 -3.324 20.526 -1.722 1.00 0.00 N ATOM 207 NH2 ARG A 12 -4.251 20.791 0.347 1.00 0.00 N ATOM 208 H ARG A 12 -0.881 15.185 -4.659 1.00 0.00 H ATOM 209 HA ARG A 12 -2.904 17.227 -4.211 1.00 0.00 H ATOM 210 1HB ARG A 12 -2.459 15.513 -2.522 1.00 0.00 H ATOM 211 2HB ARG A 12 -0.792 16.049 -2.373 1.00 0.00 H ATOM 212 1HG ARG A 12 -2.050 16.875 -0.510 1.00 0.00 H ATOM 213 2HG ARG A 12 -1.619 18.255 -1.550 1.00 0.00 H ATOM 214 1HD ARG A 12 -3.843 18.169 -2.552 1.00 0.00 H ATOM 215 2HD ARG A 12 -4.267 16.827 -1.464 1.00 0.00 H ATOM 216 HE ARG A 12 -4.457 18.309 0.293 1.00 0.00 H ATOM 217 1HH1 ARG A 12 -3.031 19.926 -2.480 1.00 0.00 H ATOM 218 2HH1 ARG A 12 -3.199 21.526 -1.792 1.00 0.00 H ATOM 219 1HH2 ARG A 12 -4.670 20.391 1.176 1.00 0.00 H ATOM 220 2HH2 ARG A 12 -4.126 21.790 0.277 1.00 0.00 H ATOM 221 N ARG A 13 0.271 18.050 -4.326 1.00 0.00 N ATOM 222 CA ARG A 13 1.196 19.174 -4.407 1.00 0.00 C ATOM 223 C ARG A 13 1.254 19.740 -5.820 1.00 0.00 C ATOM 224 O ARG A 13 1.718 20.860 -6.032 1.00 0.00 O ATOM 225 CB ARG A 13 2.592 18.750 -3.976 1.00 0.00 C ATOM 226 CG ARG A 13 2.700 18.273 -2.536 1.00 0.00 C ATOM 227 CD ARG A 13 2.435 19.371 -1.572 1.00 0.00 C ATOM 228 NE ARG A 13 3.452 20.408 -1.639 1.00 0.00 N ATOM 229 CZ ARG A 13 3.358 21.611 -1.040 1.00 0.00 C ATOM 230 NH1 ARG A 13 2.290 21.913 -0.335 1.00 0.00 N ATOM 231 NH2 ARG A 13 4.340 22.488 -1.161 1.00 0.00 N ATOM 232 H ARG A 13 0.619 17.115 -4.482 1.00 0.00 H ATOM 233 HA ARG A 13 0.849 19.957 -3.731 1.00 0.00 H ATOM 234 1HB ARG A 13 2.942 17.943 -4.618 1.00 0.00 H ATOM 235 2HB ARG A 13 3.280 19.587 -4.098 1.00 0.00 H ATOM 236 1HG ARG A 13 1.972 17.480 -2.361 1.00 0.00 H ATOM 237 2HG ARG A 13 3.705 17.891 -2.354 1.00 0.00 H ATOM 238 1HD ARG A 13 1.470 19.825 -1.794 1.00 0.00 H ATOM 239 2HD ARG A 13 2.423 18.970 -0.559 1.00 0.00 H ATOM 240 HE ARG A 13 4.289 20.212 -2.172 1.00 0.00 H ATOM 241 1HH1 ARG A 13 1.540 21.243 -0.243 1.00 0.00 H ATOM 242 2HH1 ARG A 13 2.220 22.815 0.113 1.00 0.00 H ATOM 243 1HH2 ARG A 13 5.161 22.256 -1.703 1.00 0.00 H ATOM 244 2HH2 ARG A 13 4.269 23.389 -0.713 1.00 0.00 H ATOM 245 N GLY A 14 0.781 18.957 -6.785 1.00 0.00 N ATOM 246 CA GLY A 14 0.902 19.319 -8.192 1.00 0.00 C ATOM 247 C GLY A 14 2.344 19.204 -8.669 1.00 0.00 C ATOM 248 O GLY A 14 2.792 19.980 -9.514 1.00 0.00 O ATOM 249 H GLY A 14 0.326 18.090 -6.536 1.00 0.00 H ATOM 250 1HA GLY A 14 0.264 18.668 -8.791 1.00 0.00 H ATOM 251 2HA GLY A 14 0.546 20.338 -8.338 1.00 0.00 H ATOM 252 N THR A 15 3.067 18.234 -8.121 1.00 0.00 N ATOM 253 CA THR A 15 4.482 18.063 -8.432 1.00 0.00 C ATOM 254 C THR A 15 4.741 16.720 -9.102 1.00 0.00 C ATOM 255 O THR A 15 3.866 15.853 -9.135 1.00 0.00 O ATOM 256 CB THR A 15 5.347 18.185 -7.165 1.00 0.00 C ATOM 257 OG1 THR A 15 6.733 18.224 -7.530 1.00 0.00 O ATOM 258 CG2 THR A 15 5.105 17.003 -6.238 1.00 0.00 C ATOM 259 H THR A 15 2.626 17.597 -7.472 1.00 0.00 H ATOM 260 HA THR A 15 4.784 18.858 -9.115 1.00 0.00 H ATOM 261 HB THR A 15 5.098 19.107 -6.641 1.00 0.00 H ATOM 262 HG1 THR A 15 7.190 18.864 -6.980 1.00 0.00 H ATOM 263 1HG2 THR A 15 5.724 17.106 -5.347 1.00 0.00 H ATOM 264 2HG2 THR A 15 4.054 16.978 -5.949 1.00 0.00 H ATOM 265 3HG2 THR A 15 5.361 16.079 -6.753 1.00 0.00 H ATOM 266 N THR A 16 5.946 16.553 -9.635 1.00 0.00 N ATOM 267 CA THR A 16 6.368 15.271 -10.186 1.00 0.00 C ATOM 268 C THR A 16 7.530 14.687 -9.393 1.00 0.00 C ATOM 269 O THR A 16 8.076 15.337 -8.502 1.00 0.00 O ATOM 270 CB THR A 16 6.770 15.410 -11.666 1.00 0.00 C ATOM 271 OG1 THR A 16 7.930 16.245 -11.773 1.00 0.00 O ATOM 272 CG2 THR A 16 5.634 16.021 -12.472 1.00 0.00 C ATOM 273 H THR A 16 6.586 17.334 -9.659 1.00 0.00 H ATOM 274 HA THR A 16 5.527 14.579 -10.137 1.00 0.00 H ATOM 275 HB THR A 16 7.008 14.427 -12.072 1.00 0.00 H ATOM 276 HG1 THR A 16 8.178 16.330 -12.697 1.00 0.00 H ATOM 277 1HG2 THR A 16 5.935 16.111 -13.516 1.00 0.00 H ATOM 278 2HG2 THR A 16 4.754 15.382 -12.402 1.00 0.00 H ATOM 279 3HG2 THR A 16 5.397 17.008 -12.077 1.00 0.00 H ATOM 280 N TYR A 17 7.904 13.455 -9.723 1.00 0.00 N ATOM 281 CA TYR A 17 9.021 12.791 -9.061 1.00 0.00 C ATOM 282 C TYR A 17 9.632 11.719 -9.955 1.00 0.00 C ATOM 283 O TYR A 17 8.923 11.034 -10.692 1.00 0.00 O ATOM 284 CB TYR A 17 8.570 12.180 -7.732 1.00 0.00 C ATOM 285 CG TYR A 17 9.688 11.527 -6.950 1.00 0.00 C ATOM 286 CD1 TYR A 17 10.561 12.308 -6.206 1.00 0.00 C ATOM 287 CD2 TYR A 17 9.841 10.149 -6.976 1.00 0.00 C ATOM 288 CE1 TYR A 17 11.582 11.712 -5.491 1.00 0.00 C ATOM 289 CE2 TYR A 17 10.862 9.554 -6.261 1.00 0.00 C ATOM 290 CZ TYR A 17 11.730 10.330 -5.521 1.00 0.00 C ATOM 291 OH TYR A 17 12.747 9.737 -4.809 1.00 0.00 O ATOM 292 H TYR A 17 7.401 12.965 -10.450 1.00 0.00 H ATOM 293 HA TYR A 17 9.785 13.537 -8.839 1.00 0.00 H ATOM 294 1HB TYR A 17 8.125 12.955 -7.108 1.00 0.00 H ATOM 295 2HB TYR A 17 7.803 11.429 -7.919 1.00 0.00 H ATOM 296 HD1 TYR A 17 10.441 13.391 -6.185 1.00 0.00 H ATOM 297 HD2 TYR A 17 9.156 9.536 -7.562 1.00 0.00 H ATOM 298 HE1 TYR A 17 12.268 12.325 -4.906 1.00 0.00 H ATOM 299 HE2 TYR A 17 10.983 8.470 -6.283 1.00 0.00 H ATOM 300 HH TYR A 17 13.255 10.413 -4.354 1.00 0.00 H ATOM 301 N THR A 18 10.952 11.580 -9.885 1.00 0.00 N ATOM 302 CA THR A 18 11.650 10.528 -10.614 1.00 0.00 C ATOM 303 C THR A 18 12.189 9.464 -9.666 1.00 0.00 C ATOM 304 O THR A 18 12.912 9.771 -8.719 1.00 0.00 O ATOM 305 CB THR A 18 12.806 11.107 -11.452 1.00 0.00 C ATOM 306 OG1 THR A 18 12.285 12.039 -12.409 1.00 0.00 O ATOM 307 CG2 THR A 18 13.545 9.996 -12.181 1.00 0.00 C ATOM 308 H THR A 18 11.484 12.218 -9.312 1.00 0.00 H ATOM 309 HA THR A 18 10.948 10.058 -11.303 1.00 0.00 H ATOM 310 HB THR A 18 13.502 11.630 -10.797 1.00 0.00 H ATOM 311 HG1 THR A 18 11.835 12.751 -11.949 1.00 0.00 H ATOM 312 1HG2 THR A 18 14.358 10.424 -12.767 1.00 0.00 H ATOM 313 2HG2 THR A 18 13.952 9.292 -11.455 1.00 0.00 H ATOM 314 3HG2 THR A 18 12.856 9.475 -12.844 1.00 0.00 H ATOM 315 N VAL A 19 11.832 8.211 -9.926 1.00 0.00 N ATOM 316 CA VAL A 19 12.225 7.107 -9.060 1.00 0.00 C ATOM 317 C VAL A 19 13.302 6.250 -9.714 1.00 0.00 C ATOM 318 O VAL A 19 13.389 6.173 -10.940 1.00 0.00 O ATOM 319 CB VAL A 19 11.005 6.228 -8.728 1.00 0.00 C ATOM 320 CG1 VAL A 19 9.756 6.774 -9.403 1.00 0.00 C ATOM 321 CG2 VAL A 19 11.268 4.793 -9.160 1.00 0.00 C ATOM 322 H VAL A 19 11.273 8.019 -10.746 1.00 0.00 H ATOM 323 HA VAL A 19 12.623 7.519 -8.132 1.00 0.00 H ATOM 324 HB VAL A 19 10.829 6.258 -7.653 1.00 0.00 H ATOM 325 1HG1 VAL A 19 8.903 6.141 -9.158 1.00 0.00 H ATOM 326 2HG1 VAL A 19 9.567 7.788 -9.052 1.00 0.00 H ATOM 327 3HG1 VAL A 19 9.900 6.784 -10.483 1.00 0.00 H ATOM 328 1HG2 VAL A 19 10.401 4.177 -8.922 1.00 0.00 H ATOM 329 2HG2 VAL A 19 11.450 4.764 -10.235 1.00 0.00 H ATOM 330 3HG2 VAL A 19 12.141 4.409 -8.634 1.00 0.00 H ATOM 331 N ARG A 20 14.122 5.607 -8.890 1.00 0.00 N ATOM 332 CA ARG A 20 15.149 4.699 -9.385 1.00 0.00 C ATOM 333 C ARG A 20 15.203 3.423 -8.556 1.00 0.00 C ATOM 334 O ARG A 20 15.497 3.460 -7.361 1.00 0.00 O ATOM 335 CB ARG A 20 16.514 5.372 -9.364 1.00 0.00 C ATOM 336 CG ARG A 20 17.644 4.544 -9.954 1.00 0.00 C ATOM 337 CD ARG A 20 18.940 5.268 -9.901 1.00 0.00 C ATOM 338 NE ARG A 20 18.928 6.464 -10.728 1.00 0.00 N ATOM 339 CZ ARG A 20 19.211 6.487 -12.045 1.00 0.00 C ATOM 340 NH1 ARG A 20 19.525 5.373 -12.669 1.00 0.00 N ATOM 341 NH2 ARG A 20 19.172 7.628 -12.709 1.00 0.00 N ATOM 342 H ARG A 20 14.031 5.750 -7.894 1.00 0.00 H ATOM 343 HA ARG A 20 14.911 4.435 -10.416 1.00 0.00 H ATOM 344 1HB ARG A 20 16.466 6.308 -9.919 1.00 0.00 H ATOM 345 2HB ARG A 20 16.784 5.614 -8.336 1.00 0.00 H ATOM 346 1HG ARG A 20 17.747 3.615 -9.393 1.00 0.00 H ATOM 347 2HG ARG A 20 17.422 4.315 -10.997 1.00 0.00 H ATOM 348 1HD ARG A 20 19.149 5.565 -8.874 1.00 0.00 H ATOM 349 2HD ARG A 20 19.736 4.615 -10.258 1.00 0.00 H ATOM 350 HE ARG A 20 18.690 7.340 -10.283 1.00 0.00 H ATOM 351 1HH1 ARG A 20 19.555 4.501 -12.161 1.00 0.00 H ATOM 352 2HH1 ARG A 20 19.737 5.390 -13.656 1.00 0.00 H ATOM 353 1HH2 ARG A 20 18.930 8.485 -12.229 1.00 0.00 H ATOM 354 2HH2 ARG A 20 19.383 7.646 -13.696 1.00 0.00 H ATOM 355 N VAL A 21 14.918 2.294 -9.195 1.00 0.00 N ATOM 356 CA VAL A 21 14.996 0.997 -8.534 1.00 0.00 C ATOM 357 C VAL A 21 16.046 0.107 -9.188 1.00 0.00 C ATOM 358 O VAL A 21 15.800 -0.493 -10.235 1.00 0.00 O ATOM 359 CB VAL A 21 13.628 0.291 -8.580 1.00 0.00 C ATOM 360 CG1 VAL A 21 13.703 -1.060 -7.885 1.00 0.00 C ATOM 361 CG2 VAL A 21 12.569 1.172 -7.934 1.00 0.00 C ATOM 362 H VAL A 21 14.640 2.335 -10.165 1.00 0.00 H ATOM 363 HA VAL A 21 15.274 1.157 -7.491 1.00 0.00 H ATOM 364 HB VAL A 21 13.361 0.104 -9.620 1.00 0.00 H ATOM 365 1HG1 VAL A 21 12.727 -1.545 -7.928 1.00 0.00 H ATOM 366 2HG1 VAL A 21 14.440 -1.687 -8.386 1.00 0.00 H ATOM 367 3HG1 VAL A 21 13.992 -0.919 -6.844 1.00 0.00 H ATOM 368 1HG2 VAL A 21 11.605 0.667 -7.971 1.00 0.00 H ATOM 369 2HG2 VAL A 21 12.840 1.364 -6.896 1.00 0.00 H ATOM 370 3HG2 VAL A 21 12.504 2.117 -8.473 1.00 0.00 H ATOM 371 N GLY A 22 17.217 0.027 -8.566 1.00 0.00 N ATOM 372 CA GLY A 22 18.348 -0.684 -9.151 1.00 0.00 C ATOM 373 C GLY A 22 18.866 0.031 -10.391 1.00 0.00 C ATOM 374 O GLY A 22 19.405 1.135 -10.303 1.00 0.00 O ATOM 375 H GLY A 22 17.327 0.470 -7.665 1.00 0.00 H ATOM 376 1HA GLY A 22 19.147 -0.767 -8.413 1.00 0.00 H ATOM 377 2HA GLY A 22 18.045 -1.698 -9.411 1.00 0.00 H ATOM 378 N THR A 23 18.702 -0.604 -11.547 1.00 0.00 N ATOM 379 CA THR A 23 19.095 -0.002 -12.815 1.00 0.00 C ATOM 380 C THR A 23 17.875 0.366 -13.652 1.00 0.00 C ATOM 381 O THR A 23 17.989 0.635 -14.848 1.00 0.00 O ATOM 382 CB THR A 23 20.008 -0.947 -13.617 1.00 0.00 C ATOM 383 OG1 THR A 23 19.322 -2.182 -13.864 1.00 0.00 O ATOM 384 CG2 THR A 23 21.291 -1.228 -12.850 1.00 0.00 C ATOM 385 H THR A 23 18.294 -1.528 -11.546 1.00 0.00 H ATOM 386 HA THR A 23 19.661 0.906 -12.606 1.00 0.00 H ATOM 387 HB THR A 23 20.256 -0.487 -14.574 1.00 0.00 H ATOM 388 HG1 THR A 23 18.719 -2.070 -14.603 1.00 0.00 H ATOM 389 1HG2 THR A 23 21.923 -1.897 -13.433 1.00 0.00 H ATOM 390 2HG2 THR A 23 21.820 -0.292 -12.671 1.00 0.00 H ATOM 391 3HG2 THR A 23 21.049 -1.696 -11.897 1.00 0.00 H ATOM 392 N TRP A 24 16.709 0.377 -13.015 1.00 0.00 N ATOM 393 CA TRP A 24 15.473 0.765 -13.686 1.00 0.00 C ATOM 394 C TRP A 24 15.041 2.166 -13.277 1.00 0.00 C ATOM 395 O TRP A 24 15.136 2.540 -12.108 1.00 0.00 O ATOM 396 CB TRP A 24 14.357 -0.231 -13.365 1.00 0.00 C ATOM 397 CG TRP A 24 14.576 -1.588 -13.961 1.00 0.00 C ATOM 398 CD1 TRP A 24 15.093 -2.681 -13.333 1.00 0.00 C ATOM 399 CD2 TRP A 24 14.282 -2.006 -15.316 1.00 0.00 C ATOM 400 NE1 TRP A 24 15.143 -3.745 -14.199 1.00 0.00 N ATOM 401 CE2 TRP A 24 14.649 -3.351 -15.417 1.00 0.00 C ATOM 402 CE3 TRP A 24 13.745 -1.357 -16.435 1.00 0.00 C ATOM 403 CZ2 TRP A 24 14.500 -4.066 -16.594 1.00 0.00 C ATOM 404 CZ3 TRP A 24 13.594 -2.075 -17.615 1.00 0.00 C ATOM 405 CH2 TRP A 24 13.961 -3.395 -17.692 1.00 0.00 C ATOM 406 H TRP A 24 16.677 0.109 -12.042 1.00 0.00 H ATOM 407 HA TRP A 24 15.646 0.752 -14.763 1.00 0.00 H ATOM 408 1HB TRP A 24 14.268 -0.342 -12.284 1.00 0.00 H ATOM 409 2HB TRP A 24 13.407 0.156 -13.733 1.00 0.00 H ATOM 410 HD1 TRP A 24 15.419 -2.706 -12.295 1.00 0.00 H ATOM 411 HE1 TRP A 24 15.487 -4.669 -13.977 1.00 0.00 H ATOM 412 HE3 TRP A 24 13.449 -0.310 -16.379 1.00 0.00 H ATOM 413 HZ2 TRP A 24 14.786 -5.115 -16.675 1.00 0.00 H ATOM 414 HZ3 TRP A 24 13.175 -1.562 -18.482 1.00 0.00 H ATOM 415 HH2 TRP A 24 13.828 -3.928 -18.634 1.00 0.00 H ATOM 416 N THR A 25 14.566 2.940 -14.247 1.00 0.00 N ATOM 417 CA THR A 25 14.174 4.323 -14.002 1.00 0.00 C ATOM 418 C THR A 25 12.765 4.595 -14.514 1.00 0.00 C ATOM 419 O THR A 25 12.360 4.072 -15.552 1.00 0.00 O ATOM 420 CB THR A 25 15.162 5.304 -14.660 1.00 0.00 C ATOM 421 OG1 THR A 25 15.178 5.091 -16.078 1.00 0.00 O ATOM 422 CG2 THR A 25 16.564 5.102 -14.105 1.00 0.00 C ATOM 423 H THR A 25 14.474 2.560 -15.179 1.00 0.00 H ATOM 424 HA THR A 25 14.196 4.503 -12.926 1.00 0.00 H ATOM 425 HB THR A 25 14.843 6.327 -14.464 1.00 0.00 H ATOM 426 HG1 THR A 25 14.298 5.237 -16.433 1.00 0.00 H ATOM 427 1HG2 THR A 25 17.248 5.804 -14.581 1.00 0.00 H ATOM 428 2HG2 THR A 25 16.557 5.275 -13.029 1.00 0.00 H ATOM 429 3HG2 THR A 25 16.892 4.083 -14.307 1.00 0.00 H ATOM 430 N PHE A 26 12.024 5.417 -13.780 1.00 0.00 N ATOM 431 CA PHE A 26 10.685 5.821 -14.197 1.00 0.00 C ATOM 432 C PHE A 26 10.389 7.256 -13.786 1.00 0.00 C ATOM 433 O PHE A 26 10.859 7.725 -12.748 1.00 0.00 O ATOM 434 CB PHE A 26 9.634 4.886 -13.597 1.00 0.00 C ATOM 435 CG PHE A 26 9.782 3.453 -14.023 1.00 0.00 C ATOM 436 CD1 PHE A 26 10.515 2.559 -13.258 1.00 0.00 C ATOM 437 CD2 PHE A 26 9.189 2.997 -15.191 1.00 0.00 C ATOM 438 CE1 PHE A 26 10.652 1.241 -13.649 1.00 0.00 C ATOM 439 CE2 PHE A 26 9.324 1.680 -15.584 1.00 0.00 C ATOM 440 CZ PHE A 26 10.056 0.801 -14.812 1.00 0.00 C ATOM 441 H PHE A 26 12.396 5.772 -12.911 1.00 0.00 H ATOM 442 HA PHE A 26 10.626 5.749 -15.284 1.00 0.00 H ATOM 443 1HB PHE A 26 9.691 4.925 -12.510 1.00 0.00 H ATOM 444 2HB PHE A 26 8.639 5.225 -13.884 1.00 0.00 H ATOM 445 HD1 PHE A 26 10.985 2.907 -12.337 1.00 0.00 H ATOM 446 HD2 PHE A 26 8.611 3.691 -15.801 1.00 0.00 H ATOM 447 HE1 PHE A 26 11.231 0.549 -13.038 1.00 0.00 H ATOM 448 HE2 PHE A 26 8.852 1.334 -16.504 1.00 0.00 H ATOM 449 HZ PHE A 26 10.165 -0.238 -15.122 1.00 0.00 H ATOM 450 N ARG A 27 9.608 7.952 -14.604 1.00 0.00 N ATOM 451 CA ARG A 27 9.176 9.307 -14.283 1.00 0.00 C ATOM 452 C ARG A 27 7.659 9.388 -14.164 1.00 0.00 C ATOM 453 O ARG A 27 6.932 8.944 -15.053 1.00 0.00 O ATOM 454 CB ARG A 27 9.650 10.287 -15.347 1.00 0.00 C ATOM 455 CG ARG A 27 11.159 10.452 -15.437 1.00 0.00 C ATOM 456 CD ARG A 27 11.543 11.429 -16.488 1.00 0.00 C ATOM 457 NE ARG A 27 12.979 11.655 -16.520 1.00 0.00 N ATOM 458 CZ ARG A 27 13.853 10.920 -17.236 1.00 0.00 C ATOM 459 NH1 ARG A 27 13.423 9.920 -17.972 1.00 0.00 N ATOM 460 NH2 ARG A 27 15.143 11.206 -17.199 1.00 0.00 N ATOM 461 H ARG A 27 9.306 7.532 -15.471 1.00 0.00 H ATOM 462 HA ARG A 27 9.618 9.595 -13.328 1.00 0.00 H ATOM 463 1HB ARG A 27 9.296 9.962 -16.324 1.00 0.00 H ATOM 464 2HB ARG A 27 9.222 11.270 -15.153 1.00 0.00 H ATOM 465 1HG ARG A 27 11.544 10.809 -14.481 1.00 0.00 H ATOM 466 2HG ARG A 27 11.617 9.492 -15.677 1.00 0.00 H ATOM 467 1HD ARG A 27 11.235 11.053 -17.463 1.00 0.00 H ATOM 468 2HD ARG A 27 11.053 12.382 -16.295 1.00 0.00 H ATOM 469 HE ARG A 27 13.348 12.416 -15.966 1.00 0.00 H ATOM 470 1HH1 ARG A 27 12.437 9.701 -18.001 1.00 0.00 H ATOM 471 2HH1 ARG A 27 14.078 9.369 -18.509 1.00 0.00 H ATOM 472 1HH2 ARG A 27 15.474 11.976 -16.633 1.00 0.00 H ATOM 473 2HH2 ARG A 27 15.797 10.656 -17.735 1.00 0.00 H ATOM 474 N LEU A 28 7.187 9.956 -13.060 1.00 0.00 N ATOM 475 CA LEU A 28 5.759 10.165 -12.856 1.00 0.00 C ATOM 476 C LEU A 28 5.357 11.594 -13.196 1.00 0.00 C ATOM 477 O LEU A 28 5.644 12.525 -12.443 1.00 0.00 O ATOM 478 CB LEU A 28 5.380 9.854 -11.403 1.00 0.00 C ATOM 479 CG LEU A 28 5.262 8.365 -11.050 1.00 0.00 C ATOM 480 CD1 LEU A 28 6.630 7.707 -11.162 1.00 0.00 C ATOM 481 CD2 LEU A 28 4.698 8.220 -9.644 1.00 0.00 C ATOM 482 H LEU A 28 7.835 10.251 -12.343 1.00 0.00 H ATOM 483 HA LEU A 28 5.213 9.484 -13.509 1.00 0.00 H ATOM 484 1HB LEU A 28 6.130 10.291 -10.746 1.00 0.00 H ATOM 485 2HB LEU A 28 4.420 10.323 -11.186 1.00 0.00 H ATOM 486 HG LEU A 28 4.597 7.875 -11.761 1.00 0.00 H ATOM 487 1HD1 LEU A 28 6.547 6.649 -10.912 1.00 0.00 H ATOM 488 2HD1 LEU A 28 7.001 7.809 -12.182 1.00 0.00 H ATOM 489 3HD1 LEU A 28 7.323 8.189 -10.473 1.00 0.00 H ATOM 490 1HD2 LEU A 28 4.614 7.162 -9.394 1.00 0.00 H ATOM 491 2HD2 LEU A 28 5.364 8.709 -8.933 1.00 0.00 H ATOM 492 3HD2 LEU A 28 3.713 8.683 -9.597 1.00 0.00 H ATOM 493 N THR A 29 4.692 11.762 -14.334 1.00 0.00 N ATOM 494 CA THR A 29 4.335 13.087 -14.825 1.00 0.00 C ATOM 495 C THR A 29 2.860 13.158 -15.198 1.00 0.00 C ATOM 496 O THR A 29 2.279 14.241 -15.270 1.00 0.00 O ATOM 497 CB THR A 29 5.195 13.479 -16.042 1.00 0.00 C ATOM 498 OG1 THR A 29 4.948 12.565 -17.118 1.00 0.00 O ATOM 499 CG2 THR A 29 6.672 13.447 -15.683 1.00 0.00 C ATOM 500 H THR A 29 4.427 10.950 -14.873 1.00 0.00 H ATOM 501 HA THR A 29 4.531 13.813 -14.035 1.00 0.00 H ATOM 502 HB THR A 29 4.927 14.484 -16.368 1.00 0.00 H ATOM 503 HG1 THR A 29 4.339 12.965 -17.743 1.00 0.00 H ATOM 504 1HG2 THR A 29 7.265 13.727 -16.554 1.00 0.00 H ATOM 505 2HG2 THR A 29 6.865 14.150 -14.872 1.00 0.00 H ATOM 506 3HG2 THR A 29 6.948 12.442 -15.365 1.00 0.00 H ATOM 507 N THR A 30 2.259 11.997 -15.437 1.00 0.00 N ATOM 508 CA THR A 30 0.851 11.926 -15.810 1.00 0.00 C ATOM 509 C THR A 30 0.139 10.808 -15.059 1.00 0.00 C ATOM 510 O THR A 30 0.776 9.977 -14.413 1.00 0.00 O ATOM 511 CB THR A 30 0.690 11.715 -17.327 1.00 0.00 C ATOM 512 OG1 THR A 30 1.209 10.430 -17.692 1.00 0.00 O ATOM 513 CG2 THR A 30 1.433 12.795 -18.098 1.00 0.00 C ATOM 514 H THR A 30 2.791 11.142 -15.357 1.00 0.00 H ATOM 515 HA THR A 30 0.378 12.875 -15.557 1.00 0.00 H ATOM 516 HB THR A 30 -0.368 11.752 -17.589 1.00 0.00 H ATOM 517 HG1 THR A 30 1.107 10.301 -18.638 1.00 0.00 H ATOM 518 1HG2 THR A 30 1.307 12.631 -19.168 1.00 0.00 H ATOM 519 2HG2 THR A 30 1.032 13.773 -17.832 1.00 0.00 H ATOM 520 3HG2 THR A 30 2.492 12.757 -17.848 1.00 0.00 H ATOM 521 N GLU A 31 -1.187 10.795 -15.149 1.00 0.00 N ATOM 522 CA GLU A 31 -1.992 9.792 -14.461 1.00 0.00 C ATOM 523 C GLU A 31 -1.720 8.397 -15.009 1.00 0.00 C ATOM 524 O GLU A 31 -1.575 7.439 -14.250 1.00 0.00 O ATOM 525 CB GLU A 31 -3.481 10.119 -14.592 1.00 0.00 C ATOM 526 CG GLU A 31 -3.912 11.386 -13.866 1.00 0.00 C ATOM 527 CD GLU A 31 -3.604 12.637 -14.639 1.00 0.00 C ATOM 528 OE1 GLU A 31 -3.089 12.530 -15.726 1.00 0.00 O ATOM 529 OE2 GLU A 31 -3.885 13.703 -14.142 1.00 0.00 O ATOM 530 H GLU A 31 -1.650 11.497 -15.708 1.00 0.00 H ATOM 531 HA GLU A 31 -1.732 9.808 -13.401 1.00 0.00 H ATOM 532 1HB GLU A 31 -3.737 10.234 -15.645 1.00 0.00 H ATOM 533 2HB GLU A 31 -4.072 9.291 -14.200 1.00 0.00 H ATOM 534 1HG GLU A 31 -4.985 11.340 -13.683 1.00 0.00 H ATOM 535 2HG GLU A 31 -3.409 11.427 -12.901 1.00 0.00 H ATOM 536 N GLU A 32 -1.651 8.289 -16.332 1.00 0.00 N ATOM 537 CA GLU A 32 -1.449 7.003 -16.986 1.00 0.00 C ATOM 538 C GLU A 32 -0.073 6.432 -16.667 1.00 0.00 C ATOM 539 O GLU A 32 0.063 5.248 -16.360 1.00 0.00 O ATOM 540 CB GLU A 32 -1.616 7.143 -18.501 1.00 0.00 C ATOM 541 CG GLU A 32 -3.043 7.417 -18.954 1.00 0.00 C ATOM 542 CD GLU A 32 -3.155 7.628 -20.438 1.00 0.00 C ATOM 543 OE1 GLU A 32 -2.140 7.677 -21.090 1.00 0.00 O ATOM 544 OE2 GLU A 32 -4.258 7.742 -20.920 1.00 0.00 O ATOM 545 H GLU A 32 -1.742 9.121 -16.898 1.00 0.00 H ATOM 546 HA GLU A 32 -2.208 6.308 -16.625 1.00 0.00 H ATOM 547 1HB GLU A 32 -0.988 7.958 -18.862 1.00 0.00 H ATOM 548 2HB GLU A 32 -1.279 6.229 -18.990 1.00 0.00 H ATOM 549 1HG GLU A 32 -3.671 6.574 -18.670 1.00 0.00 H ATOM 550 2HG GLU A 32 -3.413 8.301 -18.437 1.00 0.00 H ATOM 551 N LEU A 33 0.946 7.283 -16.741 1.00 0.00 N ATOM 552 CA LEU A 33 2.324 6.847 -16.543 1.00 0.00 C ATOM 553 C LEU A 33 2.554 6.383 -15.111 1.00 0.00 C ATOM 554 O LEU A 33 3.229 5.382 -14.874 1.00 0.00 O ATOM 555 CB LEU A 33 3.294 7.986 -16.881 1.00 0.00 C ATOM 556 CG LEU A 33 3.374 8.373 -18.363 1.00 0.00 C ATOM 557 CD1 LEU A 33 4.231 9.623 -18.516 1.00 0.00 C ATOM 558 CD2 LEU A 33 3.951 7.213 -19.161 1.00 0.00 C ATOM 559 H LEU A 33 0.761 8.256 -16.938 1.00 0.00 H ATOM 560 HA LEU A 33 2.522 6.013 -17.217 1.00 0.00 H ATOM 561 1HB LEU A 33 2.997 8.872 -16.323 1.00 0.00 H ATOM 562 2HB LEU A 33 4.294 7.697 -16.559 1.00 0.00 H ATOM 563 HG LEU A 33 2.375 8.607 -18.733 1.00 0.00 H ATOM 564 1HD1 LEU A 33 4.288 9.898 -19.569 1.00 0.00 H ATOM 565 2HD1 LEU A 33 3.785 10.441 -17.951 1.00 0.00 H ATOM 566 3HD1 LEU A 33 5.234 9.424 -18.139 1.00 0.00 H ATOM 567 1HD2 LEU A 33 4.007 7.489 -20.215 1.00 0.00 H ATOM 568 2HD2 LEU A 33 4.950 6.980 -18.793 1.00 0.00 H ATOM 569 3HD2 LEU A 33 3.309 6.339 -19.048 1.00 0.00 H ATOM 570 N ALA A 34 1.990 7.118 -14.158 1.00 0.00 N ATOM 571 CA ALA A 34 2.181 6.817 -12.745 1.00 0.00 C ATOM 572 C ALA A 34 1.623 5.444 -12.394 1.00 0.00 C ATOM 573 O ALA A 34 2.248 4.676 -11.662 1.00 0.00 O ATOM 574 CB ALA A 34 1.530 7.889 -11.883 1.00 0.00 C ATOM 575 H ALA A 34 1.415 7.906 -14.420 1.00 0.00 H ATOM 576 HA ALA A 34 3.252 6.803 -12.543 1.00 0.00 H ATOM 577 1HB ALA A 34 1.681 7.650 -10.830 1.00 0.00 H ATOM 578 2HB ALA A 34 1.981 8.856 -12.104 1.00 0.00 H ATOM 579 3HB ALA A 34 0.463 7.928 -12.096 1.00 0.00 H ATOM 580 N GLU A 35 0.442 5.138 -12.921 1.00 0.00 N ATOM 581 CA GLU A 35 -0.214 3.865 -12.647 1.00 0.00 C ATOM 582 C GLU A 35 0.616 2.696 -13.162 1.00 0.00 C ATOM 583 O GLU A 35 0.662 1.634 -12.541 1.00 0.00 O ATOM 584 CB GLU A 35 -1.606 3.834 -13.283 1.00 0.00 C ATOM 585 CG GLU A 35 -2.617 4.766 -12.629 1.00 0.00 C ATOM 586 CD GLU A 35 -3.953 4.755 -13.318 1.00 0.00 C ATOM 587 OE1 GLU A 35 -4.066 4.129 -14.344 1.00 0.00 O ATOM 588 OE2 GLU A 35 -4.862 5.373 -12.816 1.00 0.00 O ATOM 589 H GLU A 35 -0.014 5.805 -13.527 1.00 0.00 H ATOM 590 HA GLU A 35 -0.332 3.761 -11.568 1.00 0.00 H ATOM 591 1HB GLU A 35 -1.531 4.107 -14.336 1.00 0.00 H ATOM 592 2HB GLU A 35 -2.006 2.821 -13.235 1.00 0.00 H ATOM 593 1HG GLU A 35 -2.753 4.466 -11.591 1.00 0.00 H ATOM 594 2HG GLU A 35 -2.218 5.780 -12.637 1.00 0.00 H ATOM 595 N HIS A 36 1.270 2.898 -14.300 1.00 0.00 N ATOM 596 CA HIS A 36 2.098 1.859 -14.902 1.00 0.00 C ATOM 597 C HIS A 36 3.309 1.546 -14.034 1.00 0.00 C ATOM 598 O HIS A 36 3.651 0.383 -13.826 1.00 0.00 O ATOM 599 CB HIS A 36 2.560 2.279 -16.301 1.00 0.00 C ATOM 600 CG HIS A 36 3.364 1.233 -17.008 1.00 0.00 C ATOM 601 ND1 HIS A 36 2.810 0.062 -17.481 1.00 0.00 N ATOM 602 CD2 HIS A 36 4.680 1.180 -17.323 1.00 0.00 C ATOM 603 CE1 HIS A 36 3.751 -0.666 -18.056 1.00 0.00 C ATOM 604 NE2 HIS A 36 4.894 -0.010 -17.973 1.00 0.00 N ATOM 605 H HIS A 36 1.194 3.794 -14.760 1.00 0.00 H ATOM 606 HA HIS A 36 1.497 0.955 -15.005 1.00 0.00 H ATOM 607 1HB HIS A 36 1.692 2.516 -16.916 1.00 0.00 H ATOM 608 2HB HIS A 36 3.165 3.183 -16.228 1.00 0.00 H ATOM 609 HD1 HIS A 36 1.838 -0.177 -17.474 1.00 0.00 H ATOM 610 HD2 HIS A 36 5.510 1.867 -17.155 1.00 0.00 H ATOM 611 HE1 HIS A 36 3.512 -1.634 -18.496 1.00 0.00 H ATOM 612 N VAL A 37 3.955 2.592 -13.529 1.00 0.00 N ATOM 613 CA VAL A 37 5.118 2.430 -12.665 1.00 0.00 C ATOM 614 C VAL A 37 4.734 1.783 -11.340 1.00 0.00 C ATOM 615 O VAL A 37 5.409 0.868 -10.867 1.00 0.00 O ATOM 616 CB VAL A 37 5.777 3.796 -12.395 1.00 0.00 C ATOM 617 CG1 VAL A 37 6.876 3.659 -11.352 1.00 0.00 C ATOM 618 CG2 VAL A 37 6.330 4.369 -13.690 1.00 0.00 C ATOM 619 H VAL A 37 3.631 3.523 -13.749 1.00 0.00 H ATOM 620 HA VAL A 37 5.839 1.788 -13.172 1.00 0.00 H ATOM 621 HB VAL A 37 5.029 4.475 -11.986 1.00 0.00 H ATOM 622 1HG1 VAL A 37 7.331 4.634 -11.173 1.00 0.00 H ATOM 623 2HG1 VAL A 37 6.451 3.281 -10.422 1.00 0.00 H ATOM 624 3HG1 VAL A 37 7.636 2.966 -11.713 1.00 0.00 H ATOM 625 1HG2 VAL A 37 6.794 5.335 -13.492 1.00 0.00 H ATOM 626 2HG2 VAL A 37 7.074 3.686 -14.102 1.00 0.00 H ATOM 627 3HG2 VAL A 37 5.519 4.497 -14.407 1.00 0.00 H ATOM 628 N ALA A 38 3.648 2.263 -10.746 1.00 0.00 N ATOM 629 CA ALA A 38 3.194 1.759 -9.455 1.00 0.00 C ATOM 630 C ALA A 38 2.844 0.278 -9.536 1.00 0.00 C ATOM 631 O ALA A 38 3.110 -0.484 -8.606 1.00 0.00 O ATOM 632 CB ALA A 38 1.997 2.560 -8.965 1.00 0.00 C ATOM 633 H ALA A 38 3.123 2.998 -11.199 1.00 0.00 H ATOM 634 HA ALA A 38 3.998 1.889 -8.730 1.00 0.00 H ATOM 635 1HB ALA A 38 1.670 2.171 -8.000 1.00 0.00 H ATOM 636 2HB ALA A 38 2.280 3.607 -8.857 1.00 0.00 H ATOM 637 3HB ALA A 38 1.184 2.476 -9.684 1.00 0.00 H ATOM 638 N GLU A 39 2.247 -0.124 -10.652 1.00 0.00 N ATOM 639 CA GLU A 39 1.869 -1.517 -10.860 1.00 0.00 C ATOM 640 C GLU A 39 3.096 -2.417 -10.924 1.00 0.00 C ATOM 641 O GLU A 39 3.099 -3.519 -10.375 1.00 0.00 O ATOM 642 CB GLU A 39 1.052 -1.661 -12.146 1.00 0.00 C ATOM 643 CG GLU A 39 0.563 -3.076 -12.424 1.00 0.00 C ATOM 644 CD GLU A 39 -0.419 -3.568 -11.397 1.00 0.00 C ATOM 645 OE1 GLU A 39 -1.005 -2.754 -10.725 1.00 0.00 O ATOM 646 OE2 GLU A 39 -0.583 -4.760 -11.285 1.00 0.00 O ATOM 647 H GLU A 39 2.049 0.553 -11.375 1.00 0.00 H ATOM 648 HA GLU A 39 1.245 -1.835 -10.025 1.00 0.00 H ATOM 649 1HB GLU A 39 0.179 -1.009 -12.098 1.00 0.00 H ATOM 650 2HB GLU A 39 1.653 -1.342 -12.997 1.00 0.00 H ATOM 651 1HG GLU A 39 0.087 -3.098 -13.404 1.00 0.00 H ATOM 652 2HG GLU A 39 1.420 -3.747 -12.451 1.00 0.00 H ATOM 653 N TRP A 40 4.138 -1.940 -11.596 1.00 0.00 N ATOM 654 CA TRP A 40 5.386 -2.687 -11.705 1.00 0.00 C ATOM 655 C TRP A 40 6.068 -2.822 -10.349 1.00 0.00 C ATOM 656 O TRP A 40 6.651 -3.859 -10.036 1.00 0.00 O ATOM 657 CB TRP A 40 6.335 -2.001 -12.690 1.00 0.00 C ATOM 658 CG TRP A 40 7.627 -2.735 -12.887 1.00 0.00 C ATOM 659 CD1 TRP A 40 7.859 -3.757 -13.758 1.00 0.00 C ATOM 660 CD2 TRP A 40 8.878 -2.505 -12.195 1.00 0.00 C ATOM 661 NE1 TRP A 40 9.162 -4.178 -13.656 1.00 0.00 N ATOM 662 CE2 TRP A 40 9.800 -3.422 -12.706 1.00 0.00 C ATOM 663 CE3 TRP A 40 9.283 -1.607 -11.199 1.00 0.00 C ATOM 664 CZ2 TRP A 40 11.110 -3.474 -12.255 1.00 0.00 C ATOM 665 CZ3 TRP A 40 10.596 -1.658 -10.748 1.00 0.00 C ATOM 666 CH2 TRP A 40 11.486 -2.567 -11.263 1.00 0.00 C ATOM 667 H TRP A 40 4.065 -1.038 -12.044 1.00 0.00 H ATOM 668 HA TRP A 40 5.161 -3.686 -12.082 1.00 0.00 H ATOM 669 1HB TRP A 40 5.844 -1.904 -13.659 1.00 0.00 H ATOM 670 2HB TRP A 40 6.562 -0.996 -12.336 1.00 0.00 H ATOM 671 HD1 TRP A 40 7.119 -4.178 -14.436 1.00 0.00 H ATOM 672 HE1 TRP A 40 9.583 -4.923 -14.192 1.00 0.00 H ATOM 673 HE3 TRP A 40 8.581 -0.882 -10.789 1.00 0.00 H ATOM 674 HZ2 TRP A 40 11.831 -4.189 -12.651 1.00 0.00 H ATOM 675 HZ3 TRP A 40 10.903 -0.957 -9.972 1.00 0.00 H ATOM 676 HH2 TRP A 40 12.509 -2.580 -10.886 1.00 0.00 H ATOM 677 N LEU A 41 5.991 -1.765 -9.547 1.00 0.00 N ATOM 678 CA LEU A 41 6.566 -1.776 -8.207 1.00 0.00 C ATOM 679 C LEU A 41 5.807 -2.725 -7.289 1.00 0.00 C ATOM 680 O LEU A 41 6.407 -3.435 -6.481 1.00 0.00 O ATOM 681 CB LEU A 41 6.554 -0.362 -7.613 1.00 0.00 C ATOM 682 CG LEU A 41 7.498 0.648 -8.279 1.00 0.00 C ATOM 683 CD1 LEU A 41 7.248 2.035 -7.702 1.00 0.00 C ATOM 684 CD2 LEU A 41 8.940 0.216 -8.060 1.00 0.00 C ATOM 685 H LEU A 41 5.521 -0.933 -9.873 1.00 0.00 H ATOM 686 HA LEU A 41 7.601 -2.111 -8.278 1.00 0.00 H ATOM 687 1HB LEU A 41 5.542 0.035 -7.683 1.00 0.00 H ATOM 688 2HB LEU A 41 6.825 -0.425 -6.560 1.00 0.00 H ATOM 689 HG LEU A 41 7.290 0.690 -9.349 1.00 0.00 H ATOM 690 1HD1 LEU A 41 7.918 2.752 -8.175 1.00 0.00 H ATOM 691 2HD1 LEU A 41 6.215 2.326 -7.890 1.00 0.00 H ATOM 692 3HD1 LEU A 41 7.432 2.020 -6.628 1.00 0.00 H ATOM 693 1HD2 LEU A 41 9.611 0.933 -8.534 1.00 0.00 H ATOM 694 2HD2 LEU A 41 9.149 0.175 -6.990 1.00 0.00 H ATOM 695 3HD2 LEU A 41 9.095 -0.770 -8.498 1.00 0.00 H ATOM 696 N LYS A 42 4.485 -2.735 -7.419 1.00 0.00 N ATOM 697 CA LYS A 42 3.642 -3.604 -6.606 1.00 0.00 C ATOM 698 C LYS A 42 4.044 -5.065 -6.762 1.00 0.00 C ATOM 699 O LYS A 42 4.233 -5.775 -5.775 1.00 0.00 O ATOM 700 CB LYS A 42 2.169 -3.421 -6.977 1.00 0.00 C ATOM 701 CG LYS A 42 1.204 -4.269 -6.158 1.00 0.00 C ATOM 702 CD LYS A 42 -0.240 -4.004 -6.557 1.00 0.00 C ATOM 703 CE LYS A 42 -1.202 -4.883 -5.772 1.00 0.00 C ATOM 704 NZ LYS A 42 -2.619 -4.634 -6.152 1.00 0.00 N ATOM 705 H LYS A 42 4.053 -2.125 -8.097 1.00 0.00 H ATOM 706 HA LYS A 42 3.757 -3.319 -5.560 1.00 0.00 H ATOM 707 1HB LYS A 42 1.888 -2.376 -6.847 1.00 0.00 H ATOM 708 2HB LYS A 42 2.025 -3.671 -8.028 1.00 0.00 H ATOM 709 1HG LYS A 42 1.427 -5.325 -6.313 1.00 0.00 H ATOM 710 2HG LYS A 42 1.328 -4.041 -5.100 1.00 0.00 H ATOM 711 1HD LYS A 42 -0.482 -2.957 -6.370 1.00 0.00 H ATOM 712 2HD LYS A 42 -0.366 -4.203 -7.621 1.00 0.00 H ATOM 713 1HE LYS A 42 -0.968 -5.931 -5.955 1.00 0.00 H ATOM 714 2HE LYS A 42 -1.086 -4.689 -4.706 1.00 0.00 H ATOM 715 1HZ LYS A 42 -3.224 -5.235 -5.610 1.00 0.00 H ATOM 716 2HZ LYS A 42 -2.853 -3.668 -5.969 1.00 0.00 H ATOM 717 3HZ LYS A 42 -2.744 -4.829 -7.135 1.00 0.00 H ATOM 718 N ARG A 43 4.175 -5.508 -8.008 1.00 0.00 N ATOM 719 CA ARG A 43 4.616 -6.867 -8.295 1.00 0.00 C ATOM 720 C ARG A 43 6.131 -6.989 -8.188 1.00 0.00 C ATOM 721 O ARG A 43 6.860 -6.029 -8.436 1.00 0.00 O ATOM 722 OXT ARG A 43 6.627 -8.030 -7.857 1.00 0.00 O ATOM 723 CB ARG A 43 4.174 -7.290 -9.688 1.00 0.00 C ATOM 724 CG ARG A 43 4.491 -8.733 -10.049 1.00 0.00 C ATOM 725 CD ARG A 43 4.027 -9.071 -11.419 1.00 0.00 C ATOM 726 NE ARG A 43 2.579 -8.993 -11.536 1.00 0.00 N ATOM 727 CZ ARG A 43 1.728 -9.967 -11.159 1.00 0.00 C ATOM 728 NH1 ARG A 43 2.193 -11.084 -10.645 1.00 0.00 N ATOM 729 NH2 ARG A 43 0.426 -9.800 -11.307 1.00 0.00 N ATOM 730 H ARG A 43 3.963 -4.887 -8.775 1.00 0.00 H ATOM 731 HA ARG A 43 4.159 -7.540 -7.570 1.00 0.00 H ATOM 732 1HB ARG A 43 3.097 -7.156 -9.784 1.00 0.00 H ATOM 733 2HB ARG A 43 4.651 -6.652 -10.431 1.00 0.00 H ATOM 734 1HG ARG A 43 5.568 -8.891 -10.003 1.00 0.00 H ATOM 735 2HG ARG A 43 3.995 -9.402 -9.344 1.00 0.00 H ATOM 736 1HD ARG A 43 4.464 -8.374 -12.133 1.00 0.00 H ATOM 737 2HD ARG A 43 4.335 -10.086 -11.667 1.00 0.00 H ATOM 738 HE ARG A 43 2.184 -8.149 -11.928 1.00 0.00 H ATOM 739 1HH1 ARG A 43 3.189 -11.212 -10.532 1.00 0.00 H ATOM 740 2HH1 ARG A 43 1.555 -11.814 -10.362 1.00 0.00 H ATOM 741 1HH2 ARG A 43 0.068 -8.941 -11.703 1.00 0.00 H ATOM 742 2HH2 ARG A 43 -0.212 -10.530 -11.025 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE start01_0087_0002.pdb label fa_atr fa_rep fa_sol fa_intra_atr_xover4 fa_intra_rep_xover4 fa_intra_sol_xover4 lk_ball lk_ball_iso lk_ball_bridge lk_ball_bridge_uncpl fa_elec fa_intra_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun_dev fa_dun_rot fa_dun_semi p_aa_pp hxl_tors ref rama_prepro gen_bonded total weights 1 0.55 1 1 0.55 1 0.92 -0.38 -0.33 -0.33 1 1 1.25 1 1 1 1 1.25 0.48 0.69 0.76 0.78 0.61 1 1 0.5 1 NA pose -181.254 27.5497 136.125 -20.8552 10.4036 14.1887 73.0817 -77.5759 -0.20835 -2.05051 -43.1595 -14.1582 0 -21.4411 -5.73459 -0.65847 0 0 0.78793 55.4635 26.1076 41.5112 -10.7147 17.384 -15.7484 2.9222 0 11.9664 LEU:NtermProteinFull_1 -2.84198 0.30215 2.30528 -0.52135 0.54435 0.14306 1.46029 -1.20572 -0 -0 -0.49518 0.9208 0 0 0 0 0 0 0.37172 0 0.41802 0 0 0 0.18072 0 0 1.58216 GLU_2 -2.47906 0.16007 2.73251 -0.21445 0.03073 0.30072 1.37672 -1.34326 -0.00539 -0.07774 -1.20549 -0.59217 0 0 0 0 0 0 -0.02299 0 0 3.03718 -0.22252 0 -2.7348 -0.16899 0 -1.42893 VAL_3 -4.75523 0.73182 2.58099 -0.33607 1.02209 0.07306 1.46771 -1.79478 -0 -0 -0.62497 0.64477 0 0 0 0 0 0 -0.06994 19.4333 0.89458 0 0.09371 0 1.9342 -0.17109 0 21.1242 HIS_4 -3.93494 0.81176 4.33453 -0.69922 0.01234 0.73021 1.99127 -2.08842 -0 -0 -0.30688 -0.27143 0 0 0 0 0 0 0.03695 0 0 1.5323 -0.23935 0 -0.45461 0.41505 0 1.86956 GLU_5 -3.78168 0.18475 4.79984 -0.21415 0.0311 0.30092 2.18707 -2.22017 -0.00539 -0.07774 -1.04431 -0.59089 0 0 0 0 0 0 0.00024 0 0 3.07394 -0.22834 0 -2.7348 0.25888 0 -0.06075 PHE_6 -6.2763 1.05046 4.0001 -0.90878 0.04658 0.32831 2.66498 -2.41328 -0 -0 -1.72849 0.01578 0 0 0 0 0 0 -0.01996 0 0 1.83803 -0.42217 0 1.0402 0.12328 0 -0.66127 LEU_7 -5.78833 1.49566 4.20911 -0.71061 0.5048 0.27214 2.47406 -2.50012 -0 -0 -2.08349 0.15016 0 0 0 0 0 0 -0.03487 0 0.91787 0 -0.20785 0 0.18072 0.51582 0 -0.60493 GLU_8 -3.72921 0.23385 4.80702 -0.3413 0.07384 0.41601 2.26531 -2.22471 -0.00078 -0.01603 -1.2663 -0.64084 0 0 0 0 0 0 0.03557 0 0 3.53462 -0.28107 0 -2.7348 0.03148 0 0.16267 TRP_9 -6.88798 1.50961 5.06524 -1.31706 0.09172 0.54074 2.89667 -2.65251 -0 -0 -2.44114 -0.26326 0 0 0 0 0 0 -0.02475 0 0 1.80119 -0.16837 0 1.6906 -0.14055 0 -0.29983 LEU_10 -9.33245 1.64136 4.75568 -0.5027 0.6386 0.11162 3.72014 -3.33841 -0 -0 -2.96213 0.30985 0 0 0 0 0 0 0.00705 3e-05 0.8974 0 -0.17138 0 0.18072 0.5593 0 -3.48534 GLU_11 -3.05518 0.08786 3.83764 -0.22569 0.0308 0.32951 1.253 -1.76136 -0.00078 -0.01603 -0.48963 -0.62546 0 0 0 0 0 0 -0.00795 0 0 3.16885 -0.26796 0 -2.7348 0.29558 0 -0.18161 ARG_12 -3.16903 0.438 3.71869 -1.62315 0.64726 1.60289 1.87662 -1.67039 -0 -0 -0.74448 -1.23025 0 0 0 0 0 0 0.00019 0 3.44046 0 -0.14636 0 -1.2888 -0.28473 0 1.56692 ARG_13 -4.62108 0.99779 3.73721 -1.03262 0.67548 0.6109 1.34825 -1.67568 -0 -0 -0.74213 0.36284 0 0 0 0 0 0 0.05389 0 2.73736 0 -0.04885 0 -1.2888 -0.27928 0 0.83528 GLY_14 -1.66439 0.08892 2.23596 -5e-05 0 0 1.25111 -1.10503 -0 -0 -0.54006 -0.4087 0 0 0 0 0 0 -0.09155 0 0 0 -1.01905 0 0.83697 -0.46108 0 -0.87694 THR_15 -4.27815 1.19234 2.12832 -0.21502 0.15474 0.08038 1.22219 -1.543 -0.00702 -0.1405 -0.62952 -0.96151 0 0 0 0 0 0 0.11473 0 1.7079 0 -0.6144 2.60012 -1.0874 -0.39315 0 -0.66896 THR_16 -3.07233 0.31689 1.25609 -0.10382 0.06712 0.06936 0.81421 -0.99212 -0.00702 -0.1405 -0.53421 -0.83441 0 0 0 0 0 0 -0.00755 0 0.13544 0 -0.68524 2.47824 -1.0874 -0.14736 0 -2.4746 TYR_17 -5.37851 0.87626 2.5628 -0.72586 0.03979 0.05734 1.65612 -1.8199 -0.00681 -0.03006 -0.91173 -0.47607 0 0 0 0 0 0 -0.00317 0.00054 0 1.95356 -0.21242 0 1.2797 0.32982 0 -0.80859 THR_18 -3.64521 0.26804 1.95136 -0.17813 0.124 0.06487 0.76783 -1.34681 -0.00797 -0.0705 -0.41328 -0.37255 0 0 0 0 0 0 -0.00881 0 0.11839 0 -0.08304 2.44587 -1.0874 0.34559 0 -1.12776 VAL_19 -5.01718 0.878 1.5859 -0.36838 0.78003 0.08397 1.90298 -1.68188 -0.00384 -0.01346 -1.66565 0.2245 0 0 0 0 0 0 -0.02674 36.0292 0.74786 0 -0.06474 0 1.9342 0.05274 0 35.3775 ARG_20 -3.30394 0.88734 1.72649 -0.90252 0.24902 0.57996 0.40694 -1.10486 -0.00924 -0.08259 -0.63654 0.27652 0 0 0 0 0 0 0.15244 0 2.94822 0 -0.03502 0 -1.2888 0.36541 0 0.22883 VAL_21 -3.77007 0.43392 2.32425 -0.29338 0.25578 0.07466 1.71122 -1.52491 -1e-05 -0.00036 -1.70592 -0.58389 0 0 0 0 0 0 -0.00452 0 0.18547 0 -0.30289 0 1.9342 0.55555 0 -0.7109 GLY_22 -1.42311 0.06281 1.54654 -0.00019 0 0 0.39624 -0.7938 -0.00924 -0.08259 0.18232 -0.33343 0 0 0 0 0 0 -0.07838 0 0 0 -1.32951 0 0.83697 0.9243 0 -0.10107 THR_23 -1.58336 0.07443 1.47298 -0.1299 0.05963 0.08356 0.23492 -0.82484 -1e-05 -0.00036 -0.14176 -1.04043 0 0 0 0 0 0 0.00512 0 0.03331 0 -0.3606 2.31392 -1.0874 0.62518 0 -0.26561 TRP_24 -4.63994 0.24449 3.67868 -0.82452 0.01635 0.31411 2.23631 -1.999 -0 -0 -2.17067 -0.139 0 0 0 0 0 0 0.1288 0 0 1.57441 -0.10993 0 1.6906 -0.24639 0 -0.24571 THR_25 -3.25666 0.40524 1.58839 -0.12457 0.05342 0.09296 0.5643 -1.17594 -0 -0 -0.36986 -0.80078 0 0 0 0 0 0 0.00033 0 0.77081 0 -0.20433 2.44581 -1.0874 -0.23789 0 -1.33618 PHE_26 -6.37753 2.19966 1.64455 -0.57935 0.03844 0.31991 2.22651 -1.80369 -0 -0 -1.31262 0.06162 0 0 0 0 0 0 -0.00776 0 0 2.34933 -0.14323 0 1.0402 -0.0106 0 -0.35455 ARG_27 -3.14485 0.3176 1.65133 -0.62018 0.1737 0.4054 0.49194 -1.0201 -0.00768 -0.08268 -0.65938 0.02295 0 0 0 0 0 0 0.05968 0 2.44507 0 0.13747 0 -1.2888 -0.01912 0 -1.13765 LEU_28 -5.85149 1.57845 1.16614 -0.54681 1.3855 0.14395 1.65227 -1.54377 -0 -0 -1.16614 -0.02659 0 0 0 0 0 0 -0.0697 0 2.25496 0 -0.23557 0 0.18072 0.02868 0 -1.0494 THR_29 -3.02284 0.43092 1.51141 -0.11127 0.05765 0.06145 0.4698 -1.06514 -0.01604 -0.19015 0.62029 -0.91182 0 0 0 0 0 0 0.12544 0 0.16841 0 -0.65833 2.62184 -1.0874 0.49024 0 -0.50555 THR_30 -4.25938 0.50149 4.41568 -0.10224 0.06903 0.07284 2.02274 -2.10698 -0.01336 -0.16137 -1.49101 -0.73951 0 0 0 -0.32924 0 0 0.0594 0 0.11205 0 -0.45259 2.47824 -1.0874 0.19149 0 -0.82013 GLU_31 -2.83454 0.17262 3.53143 -0.45806 0.22344 1.4363 1.23308 -1.59867 -0.02963 -0.15975 -0.60192 -2.82894 0 0 0 0 0 0 -0.03423 0 0 3.97927 -0.14616 0 -2.7348 -0.28899 0 -1.13954 GLU_32 -2.87782 0.10901 3.53395 -0.21262 0.03114 0.29776 1.2806 -1.60054 -0.04617 -0.31689 -0.54528 -0.58493 0 0 0 0 0 0 -0.00699 0 0 3.10698 -0.12953 0 -2.7348 -0.10562 0 -0.80175 LEU_33 -5.0814 0.45178 4.90127 -0.51122 0.66101 0.1206 2.73545 -2.42108 -0 -0 -1.10644 0.27445 0 0 0 -0.32924 0 0 -0.04216 0 0.41259 0 -0.26385 0 0.18072 -0.02101 0 -0.03852 ALA_34 -5.31014 1.87259 3.38437 -0.02136 0 0 2.4117 -2.43192 -0 -0 -2.33209 -0.34991 0 0 0 0 0 0 -0.03293 0 0 0 -0.15342 0 1.8394 0.05534 0 -1.06836 GLU_35 -4.08219 0.23458 4.88745 -0.21749 0.03015 0.30631 2.20211 -2.36675 -0.02182 -0.23499 -1.33986 -0.60174 0 0 0 0 0 0 -0.03436 0 0 3.01752 -0.32815 0 -2.7348 -0.19205 0 -1.47608 HIS_D_36 -3.86513 0.17365 4.36611 -0.71276 0.01269 0.77024 2.19296 -2.15168 -0 -0 -1.6206 -0.27981 0 0 0 0 0 0 0.03967 0 0 1.83207 -0.03193 0 -0.45461 -0.13419 0 0.13669 VAL_37 -7.0798 2.30209 3.31798 -0.30889 0.2574 0.06996 2.70735 -2.54593 -0 -0 -1.87105 -0.07057 0 0 0 0 0 0 -0.06479 0 0.08671 0 -0.3471 0 1.9342 0.22001 0 -1.39244 ALA_38 -4.74373 0.23406 3.84731 -0.02223 0 0 2.47832 -2.38888 -0 -0 -2.34169 -0.36446 0 0 0 0 0 0 -0.00734 0 0 0 -0.29664 0 1.8394 -0.03625 0 -1.80212 GLU_39 -4.0529 0.21235 5.22053 -0.6484 0.17839 1.19938 2.35095 -2.36618 -0.00771 -0.11704 -1.94319 -0.64701 0 0 0 0 0 0 0.06388 0.00054 0 3.47528 -0.22953 0 -2.7348 -0.33446 0 -0.37994 TRP_40 -6.03952 0.35443 3.65829 -1.34319 0.09303 0.61075 2.05789 -2.20962 -0 -0 0.2625 -0.20734 0 0 0 0 0 0 0.08392 0 0 2.23668 0.10218 0 1.6906 -0.22419 0 1.12641 LEU_41 -5.71965 0.7616 3.18772 -0.51206 0.66437 0.12171 1.59441 -2.09838 -0 -0 0.02521 0.26788 0 0 0 0 0 0 0.01239 0 0.38966 0 -0.27087 0 0.18072 -0.06621 0 -1.46152 LYS_42 -3.23662 0.1782 3.47184 -0.41488 0.06557 0.2137 1.45934 -1.5909 -0 -0 -0.98736 -0.07016 0 0 0 0 0 0 0.13796 0 1.85882 0 0.06421 0 -1.5107 0.24059 0 -0.12038 ARG:CtermProteinFull_43 -1.98933 0.09084 3.48622 -0.99875 0.31249 0.77718 1.36786 -1.4648 -0.00243 -0.0392 0.92264 0.1576 0 0 0 0 0 0 0 0 2.42628 0 0 0 -1.2888 0.26108 0 4.01889 #END_POSE_ENERGIES_TABLE start01_0087_0002.pdb score_per_res -0.670572 total_score -28.8346
HEEH_KT_rd6_3464.pdb
ATOM 1 N SER A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA SER A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C SER A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O SER A 1 2.871 1.762 -0.809 1.00 0.00 O ATOM 5 CB SER A 1 1.980 -0.754 -1.207 1.00 0.00 C ATOM 6 OG SER A 1 1.567 -2.093 -1.180 1.00 0.00 O ATOM 7 1H SER A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 8 2H SER A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 9 3H SER A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 10 HA SER A 1 1.804 -0.509 0.900 1.00 0.00 H ATOM 11 1HB SER A 1 1.618 -0.278 -2.118 1.00 0.00 H ATOM 12 2HB SER A 1 3.068 -0.707 -1.223 1.00 0.00 H ATOM 13 HG SER A 1 2.029 -2.527 -1.901 1.00 0.00 H ATOM 14 N GLU A 2 1.506 2.244 0.913 1.00 0.00 N ATOM 15 CA GLU A 2 1.874 3.654 0.958 1.00 0.00 C ATOM 16 C GLU A 2 3.351 3.828 1.294 1.00 0.00 C ATOM 17 O GLU A 2 4.009 4.736 0.788 1.00 0.00 O ATOM 18 CB GLU A 2 1.016 4.397 1.984 1.00 0.00 C ATOM 19 CG GLU A 2 -0.449 4.536 1.595 1.00 0.00 C ATOM 20 CD GLU A 2 -1.248 3.292 1.867 1.00 0.00 C ATOM 21 OE1 GLU A 2 -0.654 2.268 2.107 1.00 0.00 O ATOM 22 OE2 GLU A 2 -2.453 3.365 1.833 1.00 0.00 O ATOM 23 H GLU A 2 0.853 1.885 1.593 1.00 0.00 H ATOM 24 HA GLU A 2 1.685 4.092 -0.023 1.00 0.00 H ATOM 25 1HB GLU A 2 1.060 3.875 2.941 1.00 0.00 H ATOM 26 2HB GLU A 2 1.418 5.398 2.138 1.00 0.00 H ATOM 27 1HG GLU A 2 -0.885 5.363 2.155 1.00 0.00 H ATOM 28 2HG GLU A 2 -0.511 4.778 0.535 1.00 0.00 H ATOM 29 N GLU A 3 3.864 2.952 2.151 1.00 0.00 N ATOM 30 CA GLU A 3 5.262 3.010 2.560 1.00 0.00 C ATOM 31 C GLU A 3 6.193 2.793 1.374 1.00 0.00 C ATOM 32 O GLU A 3 7.235 3.440 1.264 1.00 0.00 O ATOM 33 CB GLU A 3 5.544 1.965 3.641 1.00 0.00 C ATOM 34 CG GLU A 3 4.809 2.202 4.953 1.00 0.00 C ATOM 35 CD GLU A 3 3.392 1.701 4.928 1.00 0.00 C ATOM 36 OE1 GLU A 3 2.990 1.161 3.926 1.00 0.00 O ATOM 37 OE2 GLU A 3 2.710 1.858 5.914 1.00 0.00 O ATOM 38 H GLU A 3 3.271 2.226 2.528 1.00 0.00 H ATOM 39 HA GLU A 3 5.457 3.996 2.983 1.00 0.00 H ATOM 40 1HB GLU A 3 5.263 0.977 3.275 1.00 0.00 H ATOM 41 2HB GLU A 3 6.613 1.943 3.856 1.00 0.00 H ATOM 42 1HG GLU A 3 5.347 1.698 5.755 1.00 0.00 H ATOM 43 2HG GLU A 3 4.808 3.270 5.168 1.00 0.00 H ATOM 44 N GLU A 4 5.811 1.880 0.488 1.00 0.00 N ATOM 45 CA GLU A 4 6.621 1.563 -0.683 1.00 0.00 C ATOM 46 C GLU A 4 6.616 2.711 -1.684 1.00 0.00 C ATOM 47 O GLU A 4 7.630 2.996 -2.321 1.00 0.00 O ATOM 48 CB GLU A 4 6.111 0.286 -1.354 1.00 0.00 C ATOM 49 CG GLU A 4 6.306 -0.979 -0.530 1.00 0.00 C ATOM 50 CD GLU A 4 7.751 -1.272 -0.241 1.00 0.00 C ATOM 51 OE1 GLU A 4 8.563 -1.083 -1.115 1.00 0.00 O ATOM 52 OE2 GLU A 4 8.045 -1.687 0.856 1.00 0.00 O ATOM 53 H GLU A 4 4.938 1.393 0.628 1.00 0.00 H ATOM 54 HA GLU A 4 7.647 1.388 -0.357 1.00 0.00 H ATOM 55 1HB GLU A 4 5.047 0.386 -1.567 1.00 0.00 H ATOM 56 2HB GLU A 4 6.623 0.146 -2.307 1.00 0.00 H ATOM 57 1HG GLU A 4 5.773 -0.869 0.415 1.00 0.00 H ATOM 58 2HG GLU A 4 5.869 -1.820 -1.066 1.00 0.00 H ATOM 59 N LEU A 5 5.469 3.367 -1.818 1.00 0.00 N ATOM 60 CA LEU A 5 5.353 4.541 -2.675 1.00 0.00 C ATOM 61 C LEU A 5 6.292 5.650 -2.219 1.00 0.00 C ATOM 62 O LEU A 5 6.997 6.253 -3.030 1.00 0.00 O ATOM 63 CB LEU A 5 3.907 5.055 -2.677 1.00 0.00 C ATOM 64 CG LEU A 5 3.662 6.347 -3.468 1.00 0.00 C ATOM 65 CD1 LEU A 5 4.007 6.119 -4.933 1.00 0.00 C ATOM 66 CD2 LEU A 5 2.210 6.772 -3.308 1.00 0.00 C ATOM 67 H LEU A 5 4.655 3.044 -1.314 1.00 0.00 H ATOM 68 HA LEU A 5 5.619 4.254 -3.693 1.00 0.00 H ATOM 69 1HB LEU A 5 3.265 4.283 -3.097 1.00 0.00 H ATOM 70 2HB LEU A 5 3.601 5.234 -1.647 1.00 0.00 H ATOM 71 HG LEU A 5 4.315 7.134 -3.090 1.00 0.00 H ATOM 72 1HD1 LEU A 5 3.833 7.037 -5.495 1.00 0.00 H ATOM 73 2HD1 LEU A 5 5.056 5.835 -5.020 1.00 0.00 H ATOM 74 3HD1 LEU A 5 3.381 5.324 -5.335 1.00 0.00 H ATOM 75 1HD2 LEU A 5 2.036 7.691 -3.869 1.00 0.00 H ATOM 76 2HD2 LEU A 5 1.557 5.986 -3.686 1.00 0.00 H ATOM 77 3HD2 LEU A 5 1.996 6.946 -2.253 1.00 0.00 H ATOM 78 N GLU A 6 6.297 5.917 -0.918 1.00 0.00 N ATOM 79 CA GLU A 6 7.125 6.978 -0.357 1.00 0.00 C ATOM 80 C GLU A 6 8.605 6.703 -0.589 1.00 0.00 C ATOM 81 O GLU A 6 9.367 7.604 -0.940 1.00 0.00 O ATOM 82 CB GLU A 6 6.854 7.130 1.142 1.00 0.00 C ATOM 83 CG GLU A 6 5.493 7.725 1.477 1.00 0.00 C ATOM 84 CD GLU A 6 5.234 7.796 2.956 1.00 0.00 C ATOM 85 OE1 GLU A 6 6.042 7.302 3.706 1.00 0.00 O ATOM 86 OE2 GLU A 6 4.227 8.345 3.337 1.00 0.00 O ATOM 87 H GLU A 6 5.715 5.369 -0.301 1.00 0.00 H ATOM 88 HA GLU A 6 6.863 7.916 -0.846 1.00 0.00 H ATOM 89 1HB GLU A 6 6.921 6.156 1.625 1.00 0.00 H ATOM 90 2HB GLU A 6 7.617 7.770 1.586 1.00 0.00 H ATOM 91 1HG GLU A 6 5.435 8.730 1.061 1.00 0.00 H ATOM 92 2HG GLU A 6 4.719 7.121 1.005 1.00 0.00 H ATOM 93 N LYS A 7 9.008 5.452 -0.390 1.00 0.00 N ATOM 94 CA LYS A 7 10.402 5.060 -0.561 1.00 0.00 C ATOM 95 C LYS A 7 10.848 5.226 -2.007 1.00 0.00 C ATOM 96 O LYS A 7 11.947 5.710 -2.276 1.00 0.00 O ATOM 97 CB LYS A 7 10.610 3.613 -0.109 1.00 0.00 C ATOM 98 CG LYS A 7 10.588 3.416 1.401 1.00 0.00 C ATOM 99 CD LYS A 7 11.041 2.014 1.781 1.00 0.00 C ATOM 100 CE LYS A 7 9.981 0.977 1.440 1.00 0.00 C ATOM 101 NZ LYS A 7 10.346 -0.376 1.939 1.00 0.00 N ATOM 102 H LYS A 7 8.332 4.756 -0.113 1.00 0.00 H ATOM 103 HA LYS A 7 11.021 5.698 0.072 1.00 0.00 H ATOM 104 1HB LYS A 7 9.833 2.982 -0.541 1.00 0.00 H ATOM 105 2HB LYS A 7 11.569 3.251 -0.480 1.00 0.00 H ATOM 106 1HG LYS A 7 11.250 4.143 1.873 1.00 0.00 H ATOM 107 2HG LYS A 7 9.577 3.576 1.773 1.00 0.00 H ATOM 108 1HD LYS A 7 11.961 1.771 1.247 1.00 0.00 H ATOM 109 2HD LYS A 7 11.242 1.975 2.852 1.00 0.00 H ATOM 110 1HE LYS A 7 9.030 1.270 1.884 1.00 0.00 H ATOM 111 2HE LYS A 7 9.853 0.930 0.359 1.00 0.00 H ATOM 112 1HZ LYS A 7 9.620 -1.034 1.693 1.00 0.00 H ATOM 113 2HZ LYS A 7 11.218 -0.666 1.519 1.00 0.00 H ATOM 114 3HZ LYS A 7 10.449 -0.350 2.943 1.00 0.00 H ATOM 115 N LYS A 8 9.988 4.823 -2.937 1.00 0.00 N ATOM 116 CA LYS A 8 10.280 4.953 -4.359 1.00 0.00 C ATOM 117 C LYS A 8 10.369 6.416 -4.771 1.00 0.00 C ATOM 118 O LYS A 8 11.222 6.794 -5.574 1.00 0.00 O ATOM 119 CB LYS A 8 9.215 4.236 -5.192 1.00 0.00 C ATOM 120 CG LYS A 8 9.277 2.716 -5.119 1.00 0.00 C ATOM 121 CD LYS A 8 8.171 2.078 -5.945 1.00 0.00 C ATOM 122 CE LYS A 8 8.224 0.559 -5.863 1.00 0.00 C ATOM 123 NZ LYS A 8 7.128 -0.079 -6.642 1.00 0.00 N ATOM 124 H LYS A 8 9.109 4.415 -2.649 1.00 0.00 H ATOM 125 HA LYS A 8 11.238 4.473 -4.561 1.00 0.00 H ATOM 126 1HB LYS A 8 8.224 4.547 -4.861 1.00 0.00 H ATOM 127 2HB LYS A 8 9.317 4.525 -6.238 1.00 0.00 H ATOM 128 1HG LYS A 8 10.243 2.373 -5.492 1.00 0.00 H ATOM 129 2HG LYS A 8 9.175 2.398 -4.082 1.00 0.00 H ATOM 130 1HD LYS A 8 7.201 2.420 -5.582 1.00 0.00 H ATOM 131 2HD LYS A 8 8.275 2.379 -6.987 1.00 0.00 H ATOM 132 1HE LYS A 8 9.180 0.207 -6.248 1.00 0.00 H ATOM 133 2HE LYS A 8 8.140 0.248 -4.822 1.00 0.00 H ATOM 134 1HZ LYS A 8 7.198 -1.083 -6.562 1.00 0.00 H ATOM 135 2HZ LYS A 8 6.235 0.226 -6.281 1.00 0.00 H ATOM 136 3HZ LYS A 8 7.206 0.187 -7.613 1.00 0.00 H ATOM 137 N LEU A 9 9.485 7.237 -4.217 1.00 0.00 N ATOM 138 CA LEU A 9 9.480 8.667 -4.504 1.00 0.00 C ATOM 139 C LEU A 9 10.759 9.331 -4.012 1.00 0.00 C ATOM 140 O LEU A 9 11.381 10.113 -4.732 1.00 0.00 O ATOM 141 CB LEU A 9 8.265 9.336 -3.850 1.00 0.00 C ATOM 142 CG LEU A 9 6.912 9.056 -4.517 1.00 0.00 C ATOM 143 CD1 LEU A 9 5.789 9.345 -3.530 1.00 0.00 C ATOM 144 CD2 LEU A 9 6.776 9.913 -5.767 1.00 0.00 C ATOM 145 H LEU A 9 8.796 6.861 -3.580 1.00 0.00 H ATOM 146 HA LEU A 9 9.409 8.803 -5.583 1.00 0.00 H ATOM 147 1HB LEU A 9 8.200 9.001 -2.816 1.00 0.00 H ATOM 148 2HB LEU A 9 8.419 10.415 -3.852 1.00 0.00 H ATOM 149 HG LEU A 9 6.853 8.003 -4.791 1.00 0.00 H ATOM 150 1HD1 LEU A 9 4.828 9.146 -4.004 1.00 0.00 H ATOM 151 2HD1 LEU A 9 5.901 8.705 -2.655 1.00 0.00 H ATOM 152 3HD1 LEU A 9 5.834 10.390 -3.224 1.00 0.00 H ATOM 153 1HD2 LEU A 9 5.815 9.714 -6.241 1.00 0.00 H ATOM 154 2HD2 LEU A 9 6.834 10.967 -5.493 1.00 0.00 H ATOM 155 3HD2 LEU A 9 7.580 9.674 -6.462 1.00 0.00 H ATOM 156 N LEU A 10 11.148 9.016 -2.781 1.00 0.00 N ATOM 157 CA LEU A 10 12.340 9.603 -2.179 1.00 0.00 C ATOM 158 C LEU A 10 13.597 9.192 -2.935 1.00 0.00 C ATOM 159 O LEU A 10 14.498 10.003 -3.146 1.00 0.00 O ATOM 160 CB LEU A 10 12.456 9.178 -0.710 1.00 0.00 C ATOM 161 CG LEU A 10 11.412 9.776 0.241 1.00 0.00 C ATOM 162 CD1 LEU A 10 11.485 9.067 1.587 1.00 0.00 C ATOM 163 CD2 LEU A 10 11.662 11.269 0.395 1.00 0.00 C ATOM 164 H LEU A 10 10.604 8.353 -2.247 1.00 0.00 H ATOM 165 HA LEU A 10 12.247 10.689 -2.219 1.00 0.00 H ATOM 166 1HB LEU A 10 12.372 8.093 -0.655 1.00 0.00 H ATOM 167 2HB LEU A 10 13.442 9.464 -0.343 1.00 0.00 H ATOM 168 HG LEU A 10 10.414 9.615 -0.167 1.00 0.00 H ATOM 169 1HD1 LEU A 10 10.743 9.493 2.263 1.00 0.00 H ATOM 170 2HD1 LEU A 10 11.284 8.005 1.450 1.00 0.00 H ATOM 171 3HD1 LEU A 10 12.479 9.197 2.013 1.00 0.00 H ATOM 172 1HD2 LEU A 10 10.919 11.694 1.070 1.00 0.00 H ATOM 173 2HD2 LEU A 10 12.659 11.431 0.804 1.00 0.00 H ATOM 174 3HD2 LEU A 10 11.586 11.753 -0.579 1.00 0.00 H ATOM 175 N LYS A 11 13.651 7.927 -3.340 1.00 0.00 N ATOM 176 CA LYS A 11 14.757 7.429 -4.147 1.00 0.00 C ATOM 177 C LYS A 11 14.851 8.170 -5.474 1.00 0.00 C ATOM 178 O LYS A 11 15.939 8.539 -5.915 1.00 0.00 O ATOM 179 CB LYS A 11 14.606 5.927 -4.393 1.00 0.00 C ATOM 180 CG LYS A 11 15.747 5.300 -5.183 1.00 0.00 C ATOM 181 CD LYS A 11 15.567 3.796 -5.316 1.00 0.00 C ATOM 182 CE LYS A 11 16.692 3.172 -6.129 1.00 0.00 C ATOM 183 NZ LYS A 11 16.531 1.699 -6.263 1.00 0.00 N ATOM 184 H LYS A 11 12.906 7.296 -3.081 1.00 0.00 H ATOM 185 HA LYS A 11 15.686 7.583 -3.595 1.00 0.00 H ATOM 186 1HB LYS A 11 14.535 5.406 -3.438 1.00 0.00 H ATOM 187 2HB LYS A 11 13.680 5.739 -4.938 1.00 0.00 H ATOM 188 1HG LYS A 11 15.787 5.743 -6.179 1.00 0.00 H ATOM 189 2HG LYS A 11 16.692 5.501 -4.678 1.00 0.00 H ATOM 190 1HD LYS A 11 15.551 3.341 -4.325 1.00 0.00 H ATOM 191 2HD LYS A 11 14.617 3.585 -5.808 1.00 0.00 H ATOM 192 1HE LYS A 11 16.711 3.615 -7.123 1.00 0.00 H ATOM 193 2HE LYS A 11 17.647 3.378 -5.646 1.00 0.00 H ATOM 194 1HZ LYS A 11 17.296 1.324 -6.807 1.00 0.00 H ATOM 195 2HZ LYS A 11 16.531 1.275 -5.346 1.00 0.00 H ATOM 196 3HZ LYS A 11 15.658 1.496 -6.727 1.00 0.00 H ATOM 197 N ALA A 12 13.702 8.387 -6.106 1.00 0.00 N ATOM 198 CA ALA A 12 13.649 9.109 -7.371 1.00 0.00 C ATOM 199 C ALA A 12 14.181 10.528 -7.219 1.00 0.00 C ATOM 200 O ALA A 12 14.879 11.038 -8.095 1.00 0.00 O ATOM 201 CB ALA A 12 12.225 9.133 -7.908 1.00 0.00 C ATOM 202 H ALA A 12 12.844 8.043 -5.700 1.00 0.00 H ATOM 203 HA ALA A 12 14.267 8.581 -8.098 1.00 0.00 H ATOM 204 1HB ALA A 12 12.202 9.676 -8.853 1.00 0.00 H ATOM 205 2HB ALA A 12 11.879 8.112 -8.067 1.00 0.00 H ATOM 206 3HB ALA A 12 11.574 9.629 -7.189 1.00 0.00 H ATOM 207 N ILE A 13 13.849 11.162 -6.099 1.00 0.00 N ATOM 208 CA ILE A 13 14.301 12.521 -5.825 1.00 0.00 C ATOM 209 C ILE A 13 15.814 12.576 -5.664 1.00 0.00 C ATOM 210 O ILE A 13 16.474 13.466 -6.200 1.00 0.00 O ATOM 211 CB ILE A 13 13.629 13.078 -4.557 1.00 0.00 C ATOM 212 CG1 ILE A 13 12.135 13.307 -4.801 1.00 0.00 C ATOM 213 CG2 ILE A 13 14.305 14.370 -4.121 1.00 0.00 C ATOM 214 CD1 ILE A 13 11.336 13.524 -3.537 1.00 0.00 C ATOM 215 H ILE A 13 13.267 10.691 -5.422 1.00 0.00 H ATOM 216 HA ILE A 13 14.015 13.156 -6.664 1.00 0.00 H ATOM 217 HB ILE A 13 13.709 12.348 -3.752 1.00 0.00 H ATOM 218 1HG1 ILE A 13 12.001 14.177 -5.443 1.00 0.00 H ATOM 219 2HG1 ILE A 13 11.717 12.447 -5.325 1.00 0.00 H ATOM 220 1HG2 ILE A 13 13.817 14.750 -3.224 1.00 0.00 H ATOM 221 2HG2 ILE A 13 15.355 14.177 -3.909 1.00 0.00 H ATOM 222 3HG2 ILE A 13 14.226 15.109 -4.919 1.00 0.00 H ATOM 223 1HD1 ILE A 13 10.287 13.678 -3.791 1.00 0.00 H ATOM 224 2HD1 ILE A 13 11.428 12.648 -2.893 1.00 0.00 H ATOM 225 3HD1 ILE A 13 11.715 14.401 -3.013 1.00 0.00 H ATOM 226 N GLU A 14 16.361 11.618 -4.923 1.00 0.00 N ATOM 227 CA GLU A 14 17.801 11.542 -4.708 1.00 0.00 C ATOM 228 C GLU A 14 18.545 11.336 -6.021 1.00 0.00 C ATOM 229 O GLU A 14 19.615 11.903 -6.235 1.00 0.00 O ATOM 230 CB GLU A 14 18.137 10.408 -3.737 1.00 0.00 C ATOM 231 CG GLU A 14 17.704 10.662 -2.300 1.00 0.00 C ATOM 232 CD GLU A 14 17.989 9.500 -1.389 1.00 0.00 C ATOM 233 OE1 GLU A 14 18.406 8.477 -1.876 1.00 0.00 O ATOM 234 OE2 GLU A 14 17.789 9.636 -0.205 1.00 0.00 O ATOM 235 H GLU A 14 15.763 10.924 -4.498 1.00 0.00 H ATOM 236 HA GLU A 14 18.133 12.481 -4.262 1.00 0.00 H ATOM 237 1HB GLU A 14 17.659 9.488 -4.073 1.00 0.00 H ATOM 238 2HB GLU A 14 19.214 10.237 -3.736 1.00 0.00 H ATOM 239 1HG GLU A 14 18.226 11.541 -1.923 1.00 0.00 H ATOM 240 2HG GLU A 14 16.636 10.875 -2.286 1.00 0.00 H ATOM 241 N ILE A 15 17.970 10.520 -6.898 1.00 0.00 N ATOM 242 CA ILE A 15 18.553 10.274 -8.211 1.00 0.00 C ATOM 243 C ILE A 15 18.435 11.502 -9.105 1.00 0.00 C ATOM 244 O ILE A 15 19.394 11.891 -9.772 1.00 0.00 O ATOM 245 CB ILE A 15 17.875 9.073 -8.897 1.00 0.00 C ATOM 246 CG1 ILE A 15 18.165 7.784 -8.124 1.00 0.00 C ATOM 247 CG2 ILE A 15 18.342 8.950 -10.339 1.00 0.00 C ATOM 248 CD1 ILE A 15 17.289 6.620 -8.528 1.00 0.00 C ATOM 249 H ILE A 15 17.107 10.057 -6.648 1.00 0.00 H ATOM 250 HA ILE A 15 19.609 10.035 -8.083 1.00 0.00 H ATOM 251 HB ILE A 15 16.794 9.211 -8.886 1.00 0.00 H ATOM 252 1HG1 ILE A 15 19.205 7.497 -8.273 1.00 0.00 H ATOM 253 2HG1 ILE A 15 18.025 7.960 -7.057 1.00 0.00 H ATOM 254 1HG2 ILE A 15 17.854 8.096 -10.808 1.00 0.00 H ATOM 255 2HG2 ILE A 15 18.086 9.858 -10.883 1.00 0.00 H ATOM 256 3HG2 ILE A 15 19.423 8.807 -10.360 1.00 0.00 H ATOM 257 1HD1 ILE A 15 17.554 5.743 -7.937 1.00 0.00 H ATOM 258 2HD1 ILE A 15 16.243 6.873 -8.353 1.00 0.00 H ATOM 259 3HD1 ILE A 15 17.439 6.402 -9.585 1.00 0.00 H ATOM 260 N GLY A 16 17.254 12.111 -9.113 1.00 0.00 N ATOM 261 CA GLY A 16 17.009 13.298 -9.922 1.00 0.00 C ATOM 262 C GLY A 16 16.800 12.933 -11.386 1.00 0.00 C ATOM 263 O GLY A 16 17.114 13.716 -12.283 1.00 0.00 O ATOM 264 H GLY A 16 16.506 11.741 -8.543 1.00 0.00 H ATOM 265 1HA GLY A 16 16.130 13.822 -9.545 1.00 0.00 H ATOM 266 2HA GLY A 16 17.853 13.981 -9.831 1.00 0.00 H ATOM 267 N GLY A 17 16.267 11.739 -11.622 1.00 0.00 N ATOM 268 CA GLY A 17 16.070 11.244 -12.979 1.00 0.00 C ATOM 269 C GLY A 17 14.627 11.431 -13.430 1.00 0.00 C ATOM 270 O GLY A 17 13.886 12.229 -12.855 1.00 0.00 O ATOM 271 H GLY A 17 15.991 11.160 -10.841 1.00 0.00 H ATOM 272 1HA GLY A 17 16.739 11.771 -13.660 1.00 0.00 H ATOM 273 2HA GLY A 17 16.334 10.188 -13.023 1.00 0.00 H ATOM 274 N ARG A 18 14.233 10.691 -14.460 1.00 0.00 N ATOM 275 CA ARG A 18 12.890 10.807 -15.018 1.00 0.00 C ATOM 276 C ARG A 18 12.014 9.635 -14.592 1.00 0.00 C ATOM 277 O ARG A 18 12.287 8.486 -14.938 1.00 0.00 O ATOM 278 CB ARG A 18 12.945 10.870 -16.537 1.00 0.00 C ATOM 279 CG ARG A 18 11.596 11.040 -17.219 1.00 0.00 C ATOM 280 CD ARG A 18 11.737 11.158 -18.693 1.00 0.00 C ATOM 281 NE ARG A 18 10.455 11.367 -19.345 1.00 0.00 N ATOM 282 CZ ARG A 18 10.280 11.455 -20.678 1.00 0.00 C ATOM 283 NH1 ARG A 18 11.312 11.350 -21.485 1.00 0.00 N ATOM 284 NH2 ARG A 18 9.070 11.647 -21.175 1.00 0.00 N ATOM 285 H ARG A 18 14.880 10.032 -14.869 1.00 0.00 H ATOM 286 HA ARG A 18 12.441 11.730 -14.651 1.00 0.00 H ATOM 287 1HB ARG A 18 13.576 11.703 -16.844 1.00 0.00 H ATOM 288 2HB ARG A 18 13.397 9.957 -16.923 1.00 0.00 H ATOM 289 1HG ARG A 18 10.967 10.177 -17.002 1.00 0.00 H ATOM 290 2HG ARG A 18 11.112 11.944 -16.848 1.00 0.00 H ATOM 291 1HD ARG A 18 12.383 12.003 -18.931 1.00 0.00 H ATOM 292 2HD ARG A 18 12.176 10.243 -19.090 1.00 0.00 H ATOM 293 HE ARG A 18 9.636 11.453 -18.757 1.00 0.00 H ATOM 294 1HH1 ARG A 18 12.237 11.203 -21.106 1.00 0.00 H ATOM 295 2HH1 ARG A 18 11.181 11.416 -22.484 1.00 0.00 H ATOM 296 1HH2 ARG A 18 8.276 11.728 -20.555 1.00 0.00 H ATOM 297 2HH2 ARG A 18 8.939 11.713 -22.173 1.00 0.00 H ATOM 298 N PHE A 19 10.961 9.934 -13.839 1.00 0.00 N ATOM 299 CA PHE A 19 10.121 8.898 -13.251 1.00 0.00 C ATOM 300 C PHE A 19 8.644 9.237 -13.398 1.00 0.00 C ATOM 301 O PHE A 19 8.261 10.407 -13.385 1.00 0.00 O ATOM 302 CB PHE A 19 10.461 8.710 -11.772 1.00 0.00 C ATOM 303 CG PHE A 19 11.871 8.253 -11.527 1.00 0.00 C ATOM 304 CD1 PHE A 19 12.891 9.174 -11.339 1.00 0.00 C ATOM 305 CD2 PHE A 19 12.181 6.902 -11.486 1.00 0.00 C ATOM 306 CE1 PHE A 19 14.189 8.754 -11.115 1.00 0.00 C ATOM 307 CE2 PHE A 19 13.477 6.480 -11.260 1.00 0.00 C ATOM 308 CZ PHE A 19 14.482 7.408 -11.075 1.00 0.00 C ATOM 309 H PHE A 19 10.737 10.904 -13.669 1.00 0.00 H ATOM 310 HA PHE A 19 10.318 7.958 -13.768 1.00 0.00 H ATOM 311 1HB PHE A 19 10.312 9.650 -11.242 1.00 0.00 H ATOM 312 2HB PHE A 19 9.786 7.977 -11.334 1.00 0.00 H ATOM 313 HD1 PHE A 19 12.660 10.239 -11.370 1.00 0.00 H ATOM 314 HD2 PHE A 19 11.387 6.169 -11.632 1.00 0.00 H ATOM 315 HE1 PHE A 19 14.981 9.488 -10.969 1.00 0.00 H ATOM 316 HE2 PHE A 19 13.706 5.415 -11.229 1.00 0.00 H ATOM 317 HZ PHE A 19 15.504 7.076 -10.899 1.00 0.00 H ATOM 318 N LEU A 20 7.816 8.206 -13.539 1.00 0.00 N ATOM 319 CA LEU A 20 6.369 8.382 -13.554 1.00 0.00 C ATOM 320 C LEU A 20 5.726 7.767 -12.318 1.00 0.00 C ATOM 321 O LEU A 20 5.873 6.573 -12.059 1.00 0.00 O ATOM 322 CB LEU A 20 5.771 7.750 -14.817 1.00 0.00 C ATOM 323 CG LEU A 20 4.239 7.742 -14.896 1.00 0.00 C ATOM 324 CD1 LEU A 20 3.726 9.175 -14.948 1.00 0.00 C ATOM 325 CD2 LEU A 20 3.798 6.958 -16.122 1.00 0.00 C ATOM 326 H LEU A 20 8.200 7.277 -13.637 1.00 0.00 H ATOM 327 HA LEU A 20 6.150 9.451 -13.567 1.00 0.00 H ATOM 328 1HB LEU A 20 6.145 8.290 -15.686 1.00 0.00 H ATOM 329 2HB LEU A 20 6.112 6.717 -14.883 1.00 0.00 H ATOM 330 HG LEU A 20 3.831 7.274 -13.999 1.00 0.00 H ATOM 331 1HD1 LEU A 20 2.637 9.169 -15.004 1.00 0.00 H ATOM 332 2HD1 LEU A 20 4.039 9.707 -14.050 1.00 0.00 H ATOM 333 3HD1 LEU A 20 4.131 9.675 -15.827 1.00 0.00 H ATOM 334 1HD2 LEU A 20 2.709 6.952 -16.178 1.00 0.00 H ATOM 335 2HD2 LEU A 20 4.204 7.426 -17.019 1.00 0.00 H ATOM 336 3HD2 LEU A 20 4.163 5.934 -16.050 1.00 0.00 H ATOM 337 N PHE A 21 5.012 8.589 -11.557 1.00 0.00 N ATOM 338 CA PHE A 21 4.271 8.111 -10.396 1.00 0.00 C ATOM 339 C PHE A 21 2.782 8.395 -10.537 1.00 0.00 C ATOM 340 O PHE A 21 2.361 9.552 -10.564 1.00 0.00 O ATOM 341 CB PHE A 21 4.801 8.763 -9.118 1.00 0.00 C ATOM 342 CG PHE A 21 6.206 8.361 -8.770 1.00 0.00 C ATOM 343 CD1 PHE A 21 7.284 9.130 -9.180 1.00 0.00 C ATOM 344 CD2 PHE A 21 6.452 7.213 -8.032 1.00 0.00 C ATOM 345 CE1 PHE A 21 8.578 8.761 -8.861 1.00 0.00 C ATOM 346 CE2 PHE A 21 7.744 6.842 -7.710 1.00 0.00 C ATOM 347 CZ PHE A 21 8.807 7.618 -8.126 1.00 0.00 C ATOM 348 H PHE A 21 4.981 9.573 -11.789 1.00 0.00 H ATOM 349 HA PHE A 21 4.416 7.032 -10.315 1.00 0.00 H ATOM 350 1HB PHE A 21 4.774 9.846 -9.224 1.00 0.00 H ATOM 351 2HB PHE A 21 4.155 8.500 -8.281 1.00 0.00 H ATOM 352 HD1 PHE A 21 7.103 10.035 -9.761 1.00 0.00 H ATOM 353 HD2 PHE A 21 5.612 6.600 -7.704 1.00 0.00 H ATOM 354 HE1 PHE A 21 9.416 9.375 -9.190 1.00 0.00 H ATOM 355 HE2 PHE A 21 7.923 5.938 -7.129 1.00 0.00 H ATOM 356 HZ PHE A 21 9.826 7.326 -7.874 1.00 0.00 H ATOM 357 N TRP A 22 1.988 7.334 -10.625 1.00 0.00 N ATOM 358 CA TRP A 22 0.560 7.465 -10.890 1.00 0.00 C ATOM 359 C TRP A 22 0.308 8.217 -12.191 1.00 0.00 C ATOM 360 O TRP A 22 0.578 7.706 -13.278 1.00 0.00 O ATOM 361 CB TRP A 22 -0.133 8.190 -9.735 1.00 0.00 C ATOM 362 CG TRP A 22 -0.122 7.418 -8.451 1.00 0.00 C ATOM 363 CD1 TRP A 22 0.738 7.584 -7.407 1.00 0.00 C ATOM 364 CD2 TRP A 22 -1.018 6.347 -8.066 1.00 0.00 C ATOM 365 NE1 TRP A 22 0.442 6.695 -6.404 1.00 0.00 N ATOM 366 CE2 TRP A 22 -0.631 5.931 -6.789 1.00 0.00 C ATOM 367 CE3 TRP A 22 -2.101 5.719 -8.692 1.00 0.00 C ATOM 368 CZ2 TRP A 22 -1.286 4.910 -6.120 1.00 0.00 C ATOM 369 CZ3 TRP A 22 -2.760 4.695 -8.021 1.00 0.00 C ATOM 370 CH2 TRP A 22 -2.363 4.303 -6.767 1.00 0.00 C ATOM 371 H TRP A 22 2.383 6.412 -10.507 1.00 0.00 H ATOM 372 HA TRP A 22 0.131 6.466 -10.976 1.00 0.00 H ATOM 373 1HB TRP A 22 0.356 9.149 -9.563 1.00 0.00 H ATOM 374 2HB TRP A 22 -1.169 8.394 -10.003 1.00 0.00 H ATOM 375 HD1 TRP A 22 1.543 8.316 -7.374 1.00 0.00 H ATOM 376 HE1 TRP A 22 0.933 6.615 -5.525 1.00 0.00 H ATOM 377 HE3 TRP A 22 -2.422 6.029 -9.686 1.00 0.00 H ATOM 378 HZ2 TRP A 22 -0.986 4.583 -5.124 1.00 0.00 H ATOM 379 HZ3 TRP A 22 -3.601 4.211 -8.516 1.00 0.00 H ATOM 380 HH2 TRP A 22 -2.902 3.497 -6.269 1.00 0.00 H ATOM 381 N THR A 23 -0.212 9.434 -12.073 1.00 0.00 N ATOM 382 CA THR A 23 -0.545 10.242 -13.241 1.00 0.00 C ATOM 383 C THR A 23 0.369 11.454 -13.353 1.00 0.00 C ATOM 384 O THR A 23 0.163 12.325 -14.198 1.00 0.00 O ATOM 385 CB THR A 23 -2.013 10.704 -13.195 1.00 0.00 C ATOM 386 OG1 THR A 23 -2.227 11.510 -12.029 1.00 0.00 O ATOM 387 CG2 THR A 23 -2.949 9.506 -13.157 1.00 0.00 C ATOM 388 H THR A 23 -0.379 9.811 -11.151 1.00 0.00 H ATOM 389 HA THR A 23 -0.421 9.627 -14.133 1.00 0.00 H ATOM 390 HB THR A 23 -2.234 11.303 -14.079 1.00 0.00 H ATOM 391 HG1 THR A 23 -1.912 12.402 -12.194 1.00 0.00 H ATOM 392 1HG2 THR A 23 -3.982 9.851 -13.125 1.00 0.00 H ATOM 393 2HG2 THR A 23 -2.797 8.897 -14.048 1.00 0.00 H ATOM 394 3HG2 THR A 23 -2.739 8.908 -12.271 1.00 0.00 H ATOM 395 N LEU A 24 1.381 11.507 -12.493 1.00 0.00 N ATOM 396 CA LEU A 24 2.261 12.668 -12.415 1.00 0.00 C ATOM 397 C LEU A 24 3.674 12.318 -12.862 1.00 0.00 C ATOM 398 O LEU A 24 4.325 11.453 -12.278 1.00 0.00 O ATOM 399 CB LEU A 24 2.292 13.214 -10.982 1.00 0.00 C ATOM 400 CG LEU A 24 0.926 13.538 -10.363 1.00 0.00 C ATOM 401 CD1 LEU A 24 1.108 13.923 -8.902 1.00 0.00 C ATOM 402 CD2 LEU A 24 0.267 14.663 -11.148 1.00 0.00 C ATOM 403 H LEU A 24 1.546 10.722 -11.879 1.00 0.00 H ATOM 404 HA LEU A 24 1.868 13.444 -13.071 1.00 0.00 H ATOM 405 1HB LEU A 24 2.780 12.481 -10.341 1.00 0.00 H ATOM 406 2HB LEU A 24 2.885 14.128 -10.971 1.00 0.00 H ATOM 407 HG LEU A 24 0.291 12.651 -10.398 1.00 0.00 H ATOM 408 1HD1 LEU A 24 0.137 14.153 -8.462 1.00 0.00 H ATOM 409 2HD1 LEU A 24 1.563 13.094 -8.361 1.00 0.00 H ATOM 410 3HD1 LEU A 24 1.752 14.799 -8.834 1.00 0.00 H ATOM 411 1HD2 LEU A 24 -0.705 14.892 -10.709 1.00 0.00 H ATOM 412 2HD2 LEU A 24 0.899 15.550 -11.113 1.00 0.00 H ATOM 413 3HD2 LEU A 24 0.132 14.353 -12.184 1.00 0.00 H ATOM 414 N GLU A 25 4.144 12.997 -13.904 1.00 0.00 N ATOM 415 CA GLU A 25 5.481 12.757 -14.435 1.00 0.00 C ATOM 416 C GLU A 25 6.438 13.876 -14.044 1.00 0.00 C ATOM 417 O GLU A 25 6.054 15.045 -13.991 1.00 0.00 O ATOM 418 CB GLU A 25 5.433 12.622 -15.958 1.00 0.00 C ATOM 419 CG GLU A 25 6.765 12.260 -16.599 1.00 0.00 C ATOM 420 CD GLU A 25 6.664 12.063 -18.086 1.00 0.00 C ATOM 421 OE1 GLU A 25 5.585 12.194 -18.612 1.00 0.00 O ATOM 422 OE2 GLU A 25 7.668 11.779 -18.697 1.00 0.00 O ATOM 423 H GLU A 25 3.561 13.699 -14.339 1.00 0.00 H ATOM 424 HA GLU A 25 5.853 11.819 -14.024 1.00 0.00 H ATOM 425 1HB GLU A 25 4.710 11.854 -16.233 1.00 0.00 H ATOM 426 2HB GLU A 25 5.095 13.561 -16.396 1.00 0.00 H ATOM 427 1HG GLU A 25 7.481 13.056 -16.398 1.00 0.00 H ATOM 428 2HG GLU A 25 7.141 11.347 -16.141 1.00 0.00 H ATOM 429 N ALA A 26 7.685 13.512 -13.772 1.00 0.00 N ATOM 430 CA ALA A 26 8.719 14.491 -13.458 1.00 0.00 C ATOM 431 C ALA A 26 10.022 14.169 -14.179 1.00 0.00 C ATOM 432 O ALA A 26 10.372 13.001 -14.356 1.00 0.00 O ATOM 433 CB ALA A 26 8.949 14.557 -11.956 1.00 0.00 C ATOM 434 H ALA A 26 7.926 12.531 -13.782 1.00 0.00 H ATOM 435 HA ALA A 26 8.374 15.474 -13.782 1.00 0.00 H ATOM 436 1HB ALA A 26 9.723 15.292 -11.737 1.00 0.00 H ATOM 437 2HB ALA A 26 8.023 14.846 -11.458 1.00 0.00 H ATOM 438 3HB ALA A 26 9.264 13.580 -11.593 1.00 0.00 H ATOM 439 N THR A 27 10.736 15.209 -14.594 1.00 0.00 N ATOM 440 CA THR A 27 11.994 15.037 -15.311 1.00 0.00 C ATOM 441 C THR A 27 13.160 15.625 -14.526 1.00 0.00 C ATOM 442 O THR A 27 14.291 15.660 -15.010 1.00 0.00 O ATOM 443 CB THR A 27 11.930 15.686 -16.706 1.00 0.00 C ATOM 444 OG1 THR A 27 11.701 17.094 -16.571 1.00 0.00 O ATOM 445 CG2 THR A 27 10.809 15.070 -17.529 1.00 0.00 C ATOM 446 H THR A 27 10.401 16.143 -14.407 1.00 0.00 H ATOM 447 HA THR A 27 12.170 13.970 -15.452 1.00 0.00 H ATOM 448 HB THR A 27 12.878 15.534 -17.222 1.00 0.00 H ATOM 449 HG1 THR A 27 12.529 17.535 -16.366 1.00 0.00 H ATOM 450 1HG2 THR A 27 10.779 15.541 -18.512 1.00 0.00 H ATOM 451 2HG2 THR A 27 10.986 14.001 -17.644 1.00 0.00 H ATOM 452 3HG2 THR A 27 9.857 15.228 -17.023 1.00 0.00 H ATOM 453 N ASN A 28 12.878 16.085 -13.313 1.00 0.00 N ATOM 454 CA ASN A 28 13.902 16.677 -12.460 1.00 0.00 C ATOM 455 C ASN A 28 13.518 16.581 -10.989 1.00 0.00 C ATOM 456 O ASN A 28 12.438 16.098 -10.650 1.00 0.00 O ATOM 457 CB ASN A 28 14.155 18.121 -12.852 1.00 0.00 C ATOM 458 CG ASN A 28 12.929 18.980 -12.716 1.00 0.00 C ATOM 459 OD1 ASN A 28 12.175 18.858 -11.744 1.00 0.00 O ATOM 460 ND2 ASN A 28 12.714 19.848 -13.672 1.00 0.00 N ATOM 461 H ASN A 28 11.929 16.023 -12.971 1.00 0.00 H ATOM 462 HA ASN A 28 14.836 16.134 -12.613 1.00 0.00 H ATOM 463 1HB ASN A 28 14.946 18.535 -12.226 1.00 0.00 H ATOM 464 2HB ASN A 28 14.500 18.162 -13.886 1.00 0.00 H ATOM 465 1HD2 ASN A 28 11.914 20.446 -13.634 1.00 0.00 H ATOM 466 2HD2 ASN A 28 13.351 19.912 -14.440 1.00 0.00 H ATOM 467 N LYS A 29 14.409 17.045 -10.118 1.00 0.00 N ATOM 468 CA LYS A 29 14.243 16.860 -8.682 1.00 0.00 C ATOM 469 C LYS A 29 13.073 17.678 -8.152 1.00 0.00 C ATOM 470 O LYS A 29 12.289 17.200 -7.332 1.00 0.00 O ATOM 471 CB LYS A 29 15.527 17.239 -7.941 1.00 0.00 C ATOM 472 CG LYS A 29 16.681 16.266 -8.146 1.00 0.00 C ATOM 473 CD LYS A 29 17.919 16.710 -7.382 1.00 0.00 C ATOM 474 CE LYS A 29 19.073 15.738 -7.584 1.00 0.00 C ATOM 475 NZ LYS A 29 20.302 16.177 -6.869 1.00 0.00 N ATOM 476 H LYS A 29 15.221 17.537 -10.461 1.00 0.00 H ATOM 477 HA LYS A 29 14.049 15.804 -8.488 1.00 0.00 H ATOM 478 1HB LYS A 29 15.858 18.225 -8.268 1.00 0.00 H ATOM 479 2HB LYS A 29 15.326 17.299 -6.872 1.00 0.00 H ATOM 480 1HG LYS A 29 16.387 15.274 -7.801 1.00 0.00 H ATOM 481 2HG LYS A 29 16.921 16.205 -9.207 1.00 0.00 H ATOM 482 1HD LYS A 29 18.224 17.699 -7.726 1.00 0.00 H ATOM 483 2HD LYS A 29 17.689 16.769 -6.319 1.00 0.00 H ATOM 484 1HE LYS A 29 18.786 14.753 -7.218 1.00 0.00 H ATOM 485 2HE LYS A 29 19.297 15.655 -8.647 1.00 0.00 H ATOM 486 1HZ LYS A 29 21.041 15.507 -7.027 1.00 0.00 H ATOM 487 2HZ LYS A 29 20.588 17.082 -7.214 1.00 0.00 H ATOM 488 3HZ LYS A 29 20.112 16.239 -5.879 1.00 0.00 H ATOM 489 N GLU A 30 12.957 18.913 -8.628 1.00 0.00 N ATOM 490 CA GLU A 30 11.972 19.850 -8.099 1.00 0.00 C ATOM 491 C GLU A 30 10.553 19.356 -8.351 1.00 0.00 C ATOM 492 O GLU A 30 9.679 19.488 -7.496 1.00 0.00 O ATOM 493 CB GLU A 30 12.161 21.233 -8.726 1.00 0.00 C ATOM 494 CG GLU A 30 13.467 21.919 -8.352 1.00 0.00 C ATOM 495 CD GLU A 30 14.641 21.414 -9.144 1.00 0.00 C ATOM 496 OE1 GLU A 30 14.447 20.570 -9.985 1.00 0.00 O ATOM 497 OE2 GLU A 30 15.734 21.873 -8.906 1.00 0.00 O ATOM 498 H GLU A 30 13.569 19.213 -9.375 1.00 0.00 H ATOM 499 HA GLU A 30 12.124 19.940 -7.022 1.00 0.00 H ATOM 500 1HB GLU A 30 12.127 21.148 -9.812 1.00 0.00 H ATOM 501 2HB GLU A 30 11.342 21.885 -8.423 1.00 0.00 H ATOM 502 1HG GLU A 30 13.364 22.991 -8.521 1.00 0.00 H ATOM 503 2HG GLU A 30 13.657 21.764 -7.291 1.00 0.00 H ATOM 504 N GLU A 31 10.331 18.788 -9.533 1.00 0.00 N ATOM 505 CA GLU A 31 9.032 18.225 -9.880 1.00 0.00 C ATOM 506 C GLU A 31 8.744 16.966 -9.073 1.00 0.00 C ATOM 507 O GLU A 31 7.611 16.731 -8.654 1.00 0.00 O ATOM 508 CB GLU A 31 8.970 17.910 -11.376 1.00 0.00 C ATOM 509 CG GLU A 31 8.873 19.135 -12.273 1.00 0.00 C ATOM 510 CD GLU A 31 8.963 18.798 -13.736 1.00 0.00 C ATOM 511 OE1 GLU A 31 9.280 17.676 -14.049 1.00 0.00 O ATOM 512 OE2 GLU A 31 8.713 19.664 -14.541 1.00 0.00 O ATOM 513 H GLU A 31 11.082 18.746 -10.206 1.00 0.00 H ATOM 514 HA GLU A 31 8.263 18.966 -9.658 1.00 0.00 H ATOM 515 1HB GLU A 31 9.860 17.352 -11.667 1.00 0.00 H ATOM 516 2HB GLU A 31 8.106 17.277 -11.579 1.00 0.00 H ATOM 517 1HG GLU A 31 7.924 19.636 -12.085 1.00 0.00 H ATOM 518 2HG GLU A 31 9.675 19.826 -12.015 1.00 0.00 H ATOM 519 N LEU A 32 9.777 16.157 -8.859 1.00 0.00 N ATOM 520 CA LEU A 32 9.643 14.934 -8.077 1.00 0.00 C ATOM 521 C LEU A 32 9.288 15.243 -6.628 1.00 0.00 C ATOM 522 O LEU A 32 8.478 14.547 -6.017 1.00 0.00 O ATOM 523 CB LEU A 32 10.946 14.125 -8.129 1.00 0.00 C ATOM 524 CG LEU A 32 11.232 13.410 -9.456 1.00 0.00 C ATOM 525 CD1 LEU A 32 12.690 12.975 -9.495 1.00 0.00 C ATOM 526 CD2 LEU A 32 10.301 12.215 -9.599 1.00 0.00 C ATOM 527 H LEU A 32 10.678 16.397 -9.248 1.00 0.00 H ATOM 528 HA LEU A 32 8.845 14.331 -8.512 1.00 0.00 H ATOM 529 1HB LEU A 32 11.779 14.796 -7.929 1.00 0.00 H ATOM 530 2HB LEU A 32 10.918 13.369 -7.344 1.00 0.00 H ATOM 531 HG LEU A 32 11.067 14.099 -10.284 1.00 0.00 H ATOM 532 1HD1 LEU A 32 12.894 12.467 -10.438 1.00 0.00 H ATOM 533 2HD1 LEU A 32 13.333 13.852 -9.410 1.00 0.00 H ATOM 534 3HD1 LEU A 32 12.890 12.297 -8.667 1.00 0.00 H ATOM 535 1HD2 LEU A 32 10.504 11.706 -10.542 1.00 0.00 H ATOM 536 2HD2 LEU A 32 10.466 11.524 -8.772 1.00 0.00 H ATOM 537 3HD2 LEU A 32 9.266 12.556 -9.586 1.00 0.00 H ATOM 538 N GLU A 33 9.900 16.289 -6.084 1.00 0.00 N ATOM 539 CA GLU A 33 9.609 16.724 -4.723 1.00 0.00 C ATOM 540 C GLU A 33 8.163 17.184 -4.590 1.00 0.00 C ATOM 541 O GLU A 33 7.501 16.902 -3.591 1.00 0.00 O ATOM 542 CB GLU A 33 10.554 17.855 -4.311 1.00 0.00 C ATOM 543 CG GLU A 33 11.988 17.413 -4.052 1.00 0.00 C ATOM 544 CD GLU A 33 12.906 18.561 -3.739 1.00 0.00 C ATOM 545 OE1 GLU A 33 12.473 19.685 -3.828 1.00 0.00 O ATOM 546 OE2 GLU A 33 14.043 18.314 -3.411 1.00 0.00 O ATOM 547 H GLU A 33 10.584 16.795 -6.627 1.00 0.00 H ATOM 548 HA GLU A 33 9.772 15.883 -4.048 1.00 0.00 H ATOM 549 1HB GLU A 33 10.574 18.615 -5.092 1.00 0.00 H ATOM 550 2HB GLU A 33 10.181 18.328 -3.403 1.00 0.00 H ATOM 551 1HG GLU A 33 11.996 16.717 -3.214 1.00 0.00 H ATOM 552 2HG GLU A 33 12.358 16.886 -4.930 1.00 0.00 H ATOM 553 N GLU A 34 7.678 17.895 -5.603 1.00 0.00 N ATOM 554 CA GLU A 34 6.291 18.344 -5.628 1.00 0.00 C ATOM 555 C GLU A 34 5.331 17.162 -5.666 1.00 0.00 C ATOM 556 O GLU A 34 4.304 17.161 -4.986 1.00 0.00 O ATOM 557 CB GLU A 34 6.046 19.252 -6.836 1.00 0.00 C ATOM 558 CG GLU A 34 4.648 19.850 -6.899 1.00 0.00 C ATOM 559 CD GLU A 34 4.379 20.826 -5.788 1.00 0.00 C ATOM 560 OE1 GLU A 34 5.225 21.646 -5.525 1.00 0.00 O ATOM 561 OE2 GLU A 34 3.324 20.752 -5.202 1.00 0.00 O ATOM 562 H GLU A 34 8.286 18.130 -6.375 1.00 0.00 H ATOM 563 HA GLU A 34 6.098 18.922 -4.724 1.00 0.00 H ATOM 564 1HB GLU A 34 6.762 20.074 -6.824 1.00 0.00 H ATOM 565 2HB GLU A 34 6.211 18.688 -7.754 1.00 0.00 H ATOM 566 1HG GLU A 34 4.526 20.361 -7.854 1.00 0.00 H ATOM 567 2HG GLU A 34 3.917 19.044 -6.853 1.00 0.00 H ATOM 568 N ILE A 35 5.670 16.155 -6.465 1.00 0.00 N ATOM 569 CA ILE A 35 4.868 14.940 -6.548 1.00 0.00 C ATOM 570 C ILE A 35 4.824 14.216 -5.208 1.00 0.00 C ATOM 571 O ILE A 35 3.764 13.773 -4.767 1.00 0.00 O ATOM 572 CB ILE A 35 5.420 13.990 -7.627 1.00 0.00 C ATOM 573 CG1 ILE A 35 5.172 14.567 -9.024 1.00 0.00 C ATOM 574 CG2 ILE A 35 4.788 12.613 -7.497 1.00 0.00 C ATOM 575 CD1 ILE A 35 5.869 13.809 -10.130 1.00 0.00 C ATOM 576 H ILE A 35 6.504 16.234 -7.028 1.00 0.00 H ATOM 577 HA ILE A 35 3.852 15.215 -6.831 1.00 0.00 H ATOM 578 HB ILE A 35 6.499 13.897 -7.512 1.00 0.00 H ATOM 579 1HG1 ILE A 35 4.102 14.569 -9.232 1.00 0.00 H ATOM 580 2HG1 ILE A 35 5.511 15.603 -9.055 1.00 0.00 H ATOM 581 1HG2 ILE A 35 5.189 11.955 -8.268 1.00 0.00 H ATOM 582 2HG2 ILE A 35 5.015 12.201 -6.514 1.00 0.00 H ATOM 583 3HG2 ILE A 35 3.708 12.695 -7.616 1.00 0.00 H ATOM 584 1HD1 ILE A 35 5.646 14.278 -11.089 1.00 0.00 H ATOM 585 2HD1 ILE A 35 6.946 13.825 -9.960 1.00 0.00 H ATOM 586 3HD1 ILE A 35 5.518 12.778 -10.141 1.00 0.00 H ATOM 587 N PHE A 36 5.981 14.099 -4.567 1.00 0.00 N ATOM 588 CA PHE A 36 6.070 13.466 -3.257 1.00 0.00 C ATOM 589 C PHE A 36 5.126 14.128 -2.259 1.00 0.00 C ATOM 590 O PHE A 36 4.359 13.451 -1.574 1.00 0.00 O ATOM 591 CB PHE A 36 7.505 13.530 -2.730 1.00 0.00 C ATOM 592 CG PHE A 36 7.660 13.004 -1.331 1.00 0.00 C ATOM 593 CD1 PHE A 36 7.696 11.639 -1.089 1.00 0.00 C ATOM 594 CD2 PHE A 36 7.771 13.872 -0.256 1.00 0.00 C ATOM 595 CE1 PHE A 36 7.839 11.153 0.197 1.00 0.00 C ATOM 596 CE2 PHE A 36 7.916 13.390 1.030 1.00 0.00 C ATOM 597 CZ PHE A 36 7.949 12.029 1.257 1.00 0.00 C ATOM 598 H PHE A 36 6.821 14.459 -4.998 1.00 0.00 H ATOM 599 HA PHE A 36 5.790 12.417 -3.359 1.00 0.00 H ATOM 600 1HB PHE A 36 8.158 12.956 -3.384 1.00 0.00 H ATOM 601 2HB PHE A 36 7.852 14.563 -2.745 1.00 0.00 H ATOM 602 HD1 PHE A 36 7.610 10.947 -1.927 1.00 0.00 H ATOM 603 HD2 PHE A 36 7.745 14.948 -0.435 1.00 0.00 H ATOM 604 HE1 PHE A 36 7.865 10.078 0.374 1.00 0.00 H ATOM 605 HE2 PHE A 36 8.003 14.083 1.867 1.00 0.00 H ATOM 606 HZ PHE A 36 8.061 11.647 2.271 1.00 0.00 H ATOM 607 N ARG A 37 5.187 15.452 -2.184 1.00 0.00 N ATOM 608 CA ARG A 37 4.341 16.207 -1.268 1.00 0.00 C ATOM 609 C ARG A 37 2.867 16.026 -1.603 1.00 0.00 C ATOM 610 O ARG A 37 2.033 15.868 -0.712 1.00 0.00 O ATOM 611 CB ARG A 37 4.690 17.688 -1.315 1.00 0.00 C ATOM 612 CG ARG A 37 6.016 18.053 -0.668 1.00 0.00 C ATOM 613 CD ARG A 37 6.156 19.522 -0.495 1.00 0.00 C ATOM 614 NE ARG A 37 6.212 20.216 -1.772 1.00 0.00 N ATOM 615 CZ ARG A 37 7.341 20.438 -2.472 1.00 0.00 C ATOM 616 NH1 ARG A 37 8.497 20.017 -2.009 1.00 0.00 N ATOM 617 NH2 ARG A 37 7.287 21.081 -3.626 1.00 0.00 N ATOM 618 H ARG A 37 5.837 15.949 -2.778 1.00 0.00 H ATOM 619 HA ARG A 37 4.517 15.844 -0.255 1.00 0.00 H ATOM 620 1HB ARG A 37 4.726 18.020 -2.352 1.00 0.00 H ATOM 621 2HB ARG A 37 3.909 18.261 -0.815 1.00 0.00 H ATOM 622 1HG ARG A 37 6.084 17.584 0.314 1.00 0.00 H ATOM 623 2HG ARG A 37 6.836 17.702 -1.296 1.00 0.00 H ATOM 624 1HD ARG A 37 5.303 19.905 0.064 1.00 0.00 H ATOM 625 2HD ARG A 37 7.074 19.738 0.051 1.00 0.00 H ATOM 626 HE ARG A 37 5.343 20.555 -2.161 1.00 0.00 H ATOM 627 1HH1 ARG A 37 8.538 19.526 -1.127 1.00 0.00 H ATOM 628 2HH1 ARG A 37 9.343 20.183 -2.534 1.00 0.00 H ATOM 629 1HH2 ARG A 37 6.398 21.405 -3.983 1.00 0.00 H ATOM 630 2HH2 ARG A 37 8.133 21.247 -4.151 1.00 0.00 H ATOM 631 N TRP A 38 2.551 16.050 -2.893 1.00 0.00 N ATOM 632 CA TRP A 38 1.171 15.920 -3.347 1.00 0.00 C ATOM 633 C TRP A 38 0.599 14.556 -2.985 1.00 0.00 C ATOM 634 O TRP A 38 -0.493 14.460 -2.424 1.00 0.00 O ATOM 635 CB TRP A 38 1.085 16.129 -4.860 1.00 0.00 C ATOM 636 CG TRP A 38 -0.318 16.268 -5.366 1.00 0.00 C ATOM 637 CD1 TRP A 38 -1.039 17.421 -5.463 1.00 0.00 C ATOM 638 CD2 TRP A 38 -1.183 15.213 -5.851 1.00 0.00 C ATOM 639 NE1 TRP A 38 -2.287 17.157 -5.971 1.00 0.00 N ATOM 640 CE2 TRP A 38 -2.392 15.811 -6.216 1.00 0.00 C ATOM 641 CE3 TRP A 38 -1.030 13.829 -6.004 1.00 0.00 C ATOM 642 CZ2 TRP A 38 -3.451 15.076 -6.724 1.00 0.00 C ATOM 643 CZ3 TRP A 38 -2.091 13.092 -6.515 1.00 0.00 C ATOM 644 CH2 TRP A 38 -3.270 13.700 -6.866 1.00 0.00 C ATOM 645 H TRP A 38 3.285 16.160 -3.578 1.00 0.00 H ATOM 646 HA TRP A 38 0.574 16.691 -2.860 1.00 0.00 H ATOM 647 1HB TRP A 38 1.640 17.025 -5.136 1.00 0.00 H ATOM 648 2HB TRP A 38 1.551 15.286 -5.370 1.00 0.00 H ATOM 649 HD1 TRP A 38 -0.677 18.407 -5.178 1.00 0.00 H ATOM 650 HE1 TRP A 38 -3.011 17.841 -6.137 1.00 0.00 H ATOM 651 HE3 TRP A 38 -0.095 13.342 -5.729 1.00 0.00 H ATOM 652 HZ2 TRP A 38 -4.395 15.540 -7.009 1.00 0.00 H ATOM 653 HZ3 TRP A 38 -1.964 12.015 -6.630 1.00 0.00 H ATOM 654 HH2 TRP A 38 -4.082 13.091 -7.264 1.00 0.00 H ATOM 655 N LEU A 39 1.341 13.503 -3.311 1.00 0.00 N ATOM 656 CA LEU A 39 0.875 12.140 -3.087 1.00 0.00 C ATOM 657 C LEU A 39 0.744 11.838 -1.600 1.00 0.00 C ATOM 658 O LEU A 39 -0.184 11.151 -1.176 1.00 0.00 O ATOM 659 CB LEU A 39 1.839 11.139 -3.736 1.00 0.00 C ATOM 660 CG LEU A 39 1.838 11.111 -5.269 1.00 0.00 C ATOM 661 CD1 LEU A 39 3.015 10.281 -5.764 1.00 0.00 C ATOM 662 CD2 LEU A 39 0.518 10.539 -5.766 1.00 0.00 C ATOM 663 H LEU A 39 2.251 13.651 -3.722 1.00 0.00 H ATOM 664 HA LEU A 39 -0.104 12.028 -3.554 1.00 0.00 H ATOM 665 1HB LEU A 39 2.852 11.370 -3.409 1.00 0.00 H ATOM 666 2HB LEU A 39 1.587 10.138 -3.386 1.00 0.00 H ATOM 667 HG LEU A 39 1.961 12.125 -5.652 1.00 0.00 H ATOM 668 1HD1 LEU A 39 3.014 10.262 -6.854 1.00 0.00 H ATOM 669 2HD1 LEU A 39 3.946 10.724 -5.410 1.00 0.00 H ATOM 670 3HD1 LEU A 39 2.928 9.264 -5.383 1.00 0.00 H ATOM 671 1HD2 LEU A 39 0.517 10.521 -6.856 1.00 0.00 H ATOM 672 2HD2 LEU A 39 0.395 9.525 -5.385 1.00 0.00 H ATOM 673 3HD2 LEU A 39 -0.304 11.162 -5.413 1.00 0.00 H ATOM 674 N LYS A 40 1.680 12.357 -0.812 1.00 0.00 N ATOM 675 CA LYS A 40 1.667 12.149 0.631 1.00 0.00 C ATOM 676 C LYS A 40 0.400 12.713 1.258 1.00 0.00 C ATOM 677 O LYS A 40 -0.173 12.115 2.169 1.00 0.00 O ATOM 678 CB LYS A 40 2.900 12.784 1.276 1.00 0.00 C ATOM 679 CG LYS A 40 3.009 12.564 2.779 1.00 0.00 C ATOM 680 CD LYS A 40 4.300 13.149 3.331 1.00 0.00 C ATOM 681 CE LYS A 40 4.391 12.967 4.839 1.00 0.00 C ATOM 682 NZ LYS A 40 5.647 13.540 5.394 1.00 0.00 N ATOM 683 H LYS A 40 2.419 12.910 -1.223 1.00 0.00 H ATOM 684 HA LYS A 40 1.708 11.076 0.826 1.00 0.00 H ATOM 685 1HB LYS A 40 3.802 12.381 0.812 1.00 0.00 H ATOM 686 2HB LYS A 40 2.892 13.859 1.095 1.00 0.00 H ATOM 687 1HG LYS A 40 2.163 13.038 3.278 1.00 0.00 H ATOM 688 2HG LYS A 40 2.983 11.496 2.993 1.00 0.00 H ATOM 689 1HD LYS A 40 5.153 12.657 2.861 1.00 0.00 H ATOM 690 2HD LYS A 40 4.346 14.213 3.100 1.00 0.00 H ATOM 691 1HE LYS A 40 3.542 13.454 5.316 1.00 0.00 H ATOM 692 2HE LYS A 40 4.355 11.904 5.079 1.00 0.00 H ATOM 693 1HZ LYS A 40 5.669 13.399 6.394 1.00 0.00 H ATOM 694 2HZ LYS A 40 6.443 13.082 4.972 1.00 0.00 H ATOM 695 3HZ LYS A 40 5.683 14.529 5.194 1.00 0.00 H ATOM 696 N LYS A 41 -0.034 13.869 0.766 1.00 0.00 N ATOM 697 CA LYS A 41 -1.236 14.517 1.279 1.00 0.00 C ATOM 698 C LYS A 41 -2.491 13.937 0.637 1.00 0.00 C ATOM 699 O LYS A 41 -3.536 13.834 1.279 1.00 0.00 O ATOM 700 CB LYS A 41 -1.173 16.027 1.042 1.00 0.00 C ATOM 701 CG LYS A 41 -0.133 16.753 1.885 1.00 0.00 C ATOM 702 CD LYS A 41 -0.125 18.245 1.588 1.00 0.00 C ATOM 703 CE LYS A 41 0.913 18.972 2.430 1.00 0.00 C ATOM 704 NZ LYS A 41 0.954 20.429 2.127 1.00 0.00 N ATOM 705 H LYS A 41 0.482 14.309 0.019 1.00 0.00 H ATOM 706 HA LYS A 41 -1.285 14.352 2.356 1.00 0.00 H ATOM 707 1HB LYS A 41 -0.948 16.221 -0.007 1.00 0.00 H ATOM 708 2HB LYS A 41 -2.146 16.470 1.256 1.00 0.00 H ATOM 709 1HG LYS A 41 -0.352 16.602 2.942 1.00 0.00 H ATOM 710 2HG LYS A 41 0.855 16.344 1.675 1.00 0.00 H ATOM 711 1HD LYS A 41 0.098 18.405 0.532 1.00 0.00 H ATOM 712 2HD LYS A 41 -1.109 18.663 1.801 1.00 0.00 H ATOM 713 1HE LYS A 41 0.682 18.840 3.486 1.00 0.00 H ATOM 714 2HE LYS A 41 1.898 18.547 2.240 1.00 0.00 H ATOM 715 1HZ LYS A 41 1.653 20.874 2.704 1.00 0.00 H ATOM 716 2HZ LYS A 41 1.186 20.564 1.153 1.00 0.00 H ATOM 717 3HZ LYS A 41 0.051 20.838 2.318 1.00 0.00 H ATOM 718 N PHE A 42 -2.380 13.560 -0.631 1.00 0.00 N ATOM 719 CA PHE A 42 -3.536 13.119 -1.403 1.00 0.00 C ATOM 720 C PHE A 42 -4.030 11.759 -0.926 1.00 0.00 C ATOM 721 O PHE A 42 -5.217 11.580 -0.655 1.00 0.00 O ATOM 722 CB PHE A 42 -3.188 13.048 -2.891 1.00 0.00 C ATOM 723 CG PHE A 42 -4.338 12.630 -3.763 1.00 0.00 C ATOM 724 CD1 PHE A 42 -5.338 13.531 -4.096 1.00 0.00 C ATOM 725 CD2 PHE A 42 -4.423 11.334 -4.250 1.00 0.00 C ATOM 726 CE1 PHE A 42 -6.396 13.148 -4.898 1.00 0.00 C ATOM 727 CE2 PHE A 42 -5.479 10.948 -5.053 1.00 0.00 C ATOM 728 CZ PHE A 42 -6.467 11.857 -5.376 1.00 0.00 C ATOM 729 H PHE A 42 -1.472 13.578 -1.073 1.00 0.00 H ATOM 730 HA PHE A 42 -4.337 13.847 -1.273 1.00 0.00 H ATOM 731 1HB PHE A 42 -2.842 14.023 -3.230 1.00 0.00 H ATOM 732 2HB PHE A 42 -2.373 12.341 -3.041 1.00 0.00 H ATOM 733 HD1 PHE A 42 -5.281 14.553 -3.719 1.00 0.00 H ATOM 734 HD2 PHE A 42 -3.642 10.617 -3.994 1.00 0.00 H ATOM 735 HE1 PHE A 42 -7.175 13.866 -5.152 1.00 0.00 H ATOM 736 HE2 PHE A 42 -5.533 9.927 -5.430 1.00 0.00 H ATOM 737 HZ PHE A 42 -7.301 11.553 -6.007 1.00 0.00 H ATOM 738 N TRP A 43 -3.113 10.803 -0.828 1.00 0.00 N ATOM 739 CA TRP A 43 -3.474 9.425 -0.515 1.00 0.00 C ATOM 740 C TRP A 43 -3.556 9.207 0.991 1.00 0.00 C ATOM 741 O TRP A 43 -2.855 9.861 1.763 1.00 0.00 O ATOM 742 OXT TRP A 43 -4.311 8.388 1.438 1.00 0.00 O ATOM 743 CB TRP A 43 -2.455 8.457 -1.119 1.00 0.00 C ATOM 744 CG TRP A 43 -2.509 8.390 -2.616 1.00 0.00 C ATOM 745 CD1 TRP A 43 -1.636 8.966 -3.490 1.00 0.00 C ATOM 746 CD2 TRP A 43 -3.493 7.702 -3.426 1.00 0.00 C ATOM 747 NE1 TRP A 43 -2.007 8.687 -4.782 1.00 0.00 N ATOM 748 CE2 TRP A 43 -3.140 7.914 -4.762 1.00 0.00 C ATOM 749 CE3 TRP A 43 -4.626 6.935 -3.129 1.00 0.00 C ATOM 750 CZ2 TRP A 43 -3.882 7.388 -5.808 1.00 0.00 C ATOM 751 CZ3 TRP A 43 -5.369 6.407 -4.179 1.00 0.00 C ATOM 752 CH2 TRP A 43 -5.005 6.628 -5.483 1.00 0.00 C ATOM 753 H TRP A 43 -2.141 11.036 -0.974 1.00 0.00 H ATOM 754 HA TRP A 43 -4.450 9.214 -0.953 1.00 0.00 H ATOM 755 1HB TRP A 43 -1.449 8.757 -0.826 1.00 0.00 H ATOM 756 2HB TRP A 43 -2.626 7.456 -0.725 1.00 0.00 H ATOM 757 HD1 TRP A 43 -0.770 9.560 -3.204 1.00 0.00 H ATOM 758 HE1 TRP A 43 -1.526 9.000 -5.613 1.00 0.00 H ATOM 759 HE3 TRP A 43 -4.918 6.755 -2.095 1.00 0.00 H ATOM 760 HZ2 TRP A 43 -3.609 7.552 -6.851 1.00 0.00 H ATOM 761 HZ3 TRP A 43 -6.251 5.812 -3.939 1.00 0.00 H ATOM 762 HH2 TRP A 43 -5.610 6.198 -6.282 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE start00_0020_0001.pdb label fa_atr fa_rep fa_sol fa_intra_atr_xover4 fa_intra_rep_xover4 fa_intra_sol_xover4 lk_ball lk_ball_iso lk_ball_bridge lk_ball_bridge_uncpl fa_elec fa_intra_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun_dev fa_dun_rot fa_dun_semi p_aa_pp hxl_tors ref rama_prepro gen_bonded total weights 1 0.55 1 1 0.55 1 0.92 -0.38 -0.33 -0.33 1 1 1.25 1 1 1 1 1.25 0.48 0.69 0.76 0.78 0.61 1 1 0.5 1 NA pose -242.005 24.5666 182.455 -19.152 7.29204 14.5861 92.6634 -100.66 -0.44722 -3.05648 -73.0692 -15.2738 0 -30.8623 -2.11422 -2.73523 -4.05619 0 2.06247 3.31178 22.6098 49.3953 -10.4511 5.26651 -24.8308 0.10031 0 -124.404 SER:NtermProteinFull_1 -2.42362 0.14935 3.36188 -0.03497 0.02012 0.03057 1.75816 -1.46042 -0 -0 -2.37113 -0.97409 0 0 0 -0.19752 0 0 0.14177 0.01578 0.36843 0 0 0.63256 -0.77834 0 0 -1.76147 GLU_2 -3.46056 0.19828 5.11506 -0.46214 0.45804 1.45356 2.11743 -2.17035 -0.02446 -0.13852 -2.07799 -2.91129 0 0 0 -0.19752 0 0 -0.02718 0.04176 0 4.14652 -0.34379 0 -2.7348 -0.25154 0 -1.26951 GLU_3 -3.9519 0.25257 5.27141 -0.45851 0.20921 1.42817 1.53858 -2.28823 -0.06996 -0.44978 -1.30434 -2.86007 0 0 0 0 0 0 -0.04275 0.01403 0 4.01077 -0.27139 0 -2.7348 -0.46172 0 -2.16868 GLU_4 -5.23278 0.38044 6.89928 -0.45137 0.07871 0.91209 2.8004 -2.84599 -0.02859 -0.15217 -3.40038 -0.44761 0 0 0 0 -0.61444 0 0.31341 0.00934 0 3.24366 -0.30816 0 -2.7348 -0.43287 0 -2.01183 LEU_5 -7.04719 0.57356 4.31456 -0.7118 0.42787 0.27552 2.93903 -2.68214 -0 -0 -1.74375 0.16262 0 0 0 0 0 0 -0.02344 0.04182 0.86722 0 -0.21223 0 0.18072 0.01532 0 -2.62233 GLU_6 -6.10642 0.41902 6.07905 -0.21404 0.02878 0.29727 2.69939 -2.89004 -0.0169 -0.15908 -2.0665 -0.58984 0 0 0 0 0 0 -0.03004 0.00429 0 3.03566 -0.16948 0 -2.7348 0.12811 0 -2.28558 LYS_7 -5.56762 0.32351 7.30055 -0.47096 0.19693 0.23991 3.16209 -3.09767 -0 -0 -4.25139 0.12761 0 0 0 0 -0.61444 0 0.052 0.06677 2.62044 0 0.01726 0 -1.5107 -0.16977 0 -1.57549 LYS_8 -5.24147 0.3026 5.14272 -0.30566 0.02777 0.13698 2.50992 -2.49655 -0 -0 -2.17165 -0.02238 0 0 0 0 0 0 0.05161 0.01219 1.76078 0 -0.02289 0 -1.5107 -0.20585 0 -2.0326 LEU_9 -10.1183 2.02928 3.64223 -0.47767 0.22093 0.11146 2.93758 -3.03887 -0 -0 -2.06376 0.20033 0 0 0 0 0 0 -0.02109 0.94507 0.65691 0 -0.21746 0 0.18072 0.04681 0 -4.96577 LEU_10 -6.18672 0.46144 4.95093 -0.50301 0.50402 0.11937 2.64486 -2.72106 -0 -0 -1.92285 0.25472 0 0 0 0 0 0 0.25967 0.07533 0.37352 0 -0.27165 0 0.18072 0.20191 0 -1.57878 LYS_11 -5.08088 0.33821 5.38799 -0.42396 0.0633 0.23558 2.56435 -2.5904 -0.01563 -0.14916 -2.03298 -0.12343 0 0 0 0 0 0 0.03933 0.00142 2.11105 0 0.02605 0 -1.5107 -0.02242 0 -1.18226 ALA_12 -6.64647 0.80338 3.21987 -0.02198 0 0 2.9446 -2.75993 -0.00192 -0.00531 -2.7153 -0.36088 0 0 0 0 0 0 -0.00665 0 0 0 -0.28736 0 1.8394 -0.13504 0 -4.13359 ILE_13 -8.25225 0.88167 4.95307 -0.5147 0.59711 0.10217 2.58141 -2.87441 -0 -0 -1.05636 0.06738 0 0 0 0 0 0 -0.03839 0.10792 0.62179 0 -0.42288 0 0.73287 0.03519 0 -2.47841 GLU_14 -3.55811 0.16332 4.23955 -0.21629 0.02996 0.30317 1.39673 -1.91637 -0.01563 -0.14916 -0.71039 -0.59693 0 0 0 0 0 0 0.09587 0.00016 0 3.00464 -0.27333 0 -2.7348 -0.06738 0 -1.00499 ILE_15 -5.02394 0.37264 3.13202 -0.51176 0.5944 0.10054 1.501 -1.85416 -0 -0 -0.18982 0.0637 0 0 0 0 0 0 -0.04711 0.05841 0.65406 0 -0.47617 0 0.73287 -0.08756 0 -0.98088 GLY_16 -3.17181 0.25505 2.53022 -5e-05 0 0 0.97903 -1.46987 -0 -0 -0.51989 -0.40353 0 0 0 0 0 0 -0.11364 0 0 0 -1.27789 0 0.83697 -0.15812 0 -2.51351 GLY_17 -2.773 0.29708 2.43742 -0.00034 0 0 0.96238 -1.46909 -0.00406 -0.01117 0.34629 -0.16773 0 0 0 0 0 0 -0.1146 0 0 0 -1.05054 0 0.83697 -0.20554 0 -0.91592 ARG_18 -3.66743 0.32472 2.88117 -0.54364 0.08716 0.323 1.36593 -1.43925 -0 -0 -1.82665 0.42381 0 0 0 0 -1.10679 0 0.06638 0.03178 1.94419 0 0.21115 0 -1.2888 0.09926 0 -2.11399 PHE_19 -6.92355 0.81307 1.63821 -0.57784 0.04488 0.31295 1.95267 -2.00881 -0.00369 -0.01139 -1.36913 0.06613 0 0 0 0 0 0 0.06969 0.00146 0 1.93106 -0.18545 0 1.0402 -0.14098 0 -3.35053 LEU_20 -3.76148 0.23563 1.47695 -0.62097 0.36156 0.17006 0.16896 -1.24064 -0 -0 -0.33671 0.29628 0 0 0 0 0 0 0.19991 0.06206 0.71968 0 -0.27403 0 0.18072 -0.17477 0 -2.5368 PHE_21 -8.17846 1.14457 2.07556 -0.58765 0.03203 0.30718 2.11473 -2.20054 -0.00229 -0.02502 -2.0963 0.01997 0 0 0 0 0 0 0.03925 0.03823 0 2.32041 -0.18511 0 1.0402 0.04732 0 -4.0959 TRP_22 -5.47257 0.75619 1.73713 -0.80788 0.01723 0.3124 0.95189 -1.50882 -0 -0 0.2526 -0.35646 0 0 0 0 0 0 -0.20748 0.00994 0 1.78269 0.20764 0 1.6906 1.24893 0 0.61402 THR_23 -2.17931 0.20847 1.57383 -0.1269 0.06028 0.07941 0.39794 -0.89886 -0.01322 -0.06035 0.04262 -1.00626 0 0 0 0 0 0 0.10506 0.01297 0.04631 0 -0.49204 2.31609 -1.0874 1.03273 0 0.01138 LEU_24 -5.76229 0.53037 2.79308 -0.49679 0.35415 0.11907 2.28682 -1.95867 -0 -0 -1.87167 0.03218 0 0 0 0 0 0 -0.0539 0.14578 1.02075 0 -0.26047 0 0.18072 -0.14321 0 -3.08407 GLU_25 -3.57594 0.22271 3.03697 -0.26606 0.05278 0.30432 1.36761 -1.46908 -0.01247 -0.04087 -2.15343 -0.19783 0 0 0 0 -1.10679 0 -0.00397 0.03064 0 3.35313 0.11744 0 -2.7348 -0.06042 0 -3.13605 ALA_26 -5.2042 1.47799 2.5348 -0.02293 0 0 2.64211 -2.03492 -0 -0 -2.0615 -0.38209 0 0 0 0 0 0 0.07362 0 0 0 -0.03829 0 1.8394 -0.02614 0 -1.20214 THR_27 -3.17927 0.19637 2.78783 -0.12496 0.06066 0.07816 1.05045 -1.40575 -0.00037 -0.00241 -0.8782 -0.95441 0 0 0 -0.55046 0 0 -0.04488 0.0252 0.09543 0 -0.56156 2.31786 -1.0874 -0.0527 0 -2.23042 ASN_28 -5.78982 0.23708 6.8641 -0.35613 0.16652 0.70409 3.13559 -3.18183 -0.04203 -0.32669 -1.77062 -0.59613 0 0 0 -0.61964 0 0 0.53067 0.0001 0 1.55005 -0.14249 0 -0.93687 -0.03634 0 -0.61038 LYS_29 -6.03407 0.59579 5.97057 -0.3036 0.02805 0.13462 2.39194 -2.70274 -0 -0 -1.83751 -0.02355 0 0 0 0 0 0 0.11536 0.00504 1.81084 0 -0.03078 0 -1.5107 0.01998 0 -1.37075 GLU_30 -4.2185 0.10601 5.49896 -0.46279 0.26417 1.45595 1.8805 -2.40927 -0.06519 -0.45752 -1.54316 -2.93647 0 0 0 0 0 0 0.12646 0.00814 0 4.00875 -0.25336 0 -2.7348 -0.25071 0 -1.98282 GLU_31 -6.56357 0.78159 7.50988 -0.21474 0.0319 0.30835 3.93889 -3.48677 -0.05066 -0.31764 -3.36736 -0.59297 0 0 0 -1.1701 0 0 0.07123 0.13244 0 3.06041 -0.29095 0 -2.7348 -0.41181 0 -3.36668 LEU_32 -10.1166 1.47124 4.48098 -0.49443 0.36242 0.12099 2.89636 -3.4983 -0.02066 -0.16499 -2.16875 0.2156 0 0 0 0 0 0 0.13029 0.54911 0.34573 0 -0.28017 0 0.18072 -0.22318 0 -6.21366 GLU_33 -6.77034 0.50034 7.02581 -0.21478 0.02787 0.30036 2.94903 -3.28396 -0.0305 -0.22613 -2.61329 -0.59491 0 0 0 0 0 0 0.15096 0.04922 0 3.01224 -0.23964 0 -2.7348 -0.19953 0 -2.89205 GLU_34 -5.33253 0.27065 6.83153 -0.64212 0.11531 1.14027 2.7508 -3.07001 -0 -0 -3.12899 -0.43937 0 0 0 0 -0.30686 0 0.13923 0.02328 0 4.02198 -0.20207 0 -2.7348 -0.3388 0 -0.90251 ILE_35 -9.17391 1.22755 4.3823 -0.5186 0.76296 0.10115 3.01422 -3.15288 -1e-05 -6e-05 -2.29431 0.12437 0 0 0 0 0 0 0.00561 0.18465 0.57259 0 -0.41222 0 0.73287 0.05192 0 -4.39181 PHE_36 -8.32559 0.96584 4.38229 -0.91471 0.04847 0.31217 2.62378 -2.75663 -0 -0 -1.99245 -0.01015 0 0 0 0 0 0 0.00187 0.01732 0 1.78234 -0.49733 0 1.0402 0.55164 0 -2.77093 ARG_37 -6.48353 0.30219 7.88119 -0.80842 0.19327 0.5399 2.71175 -3.5256 -0.02647 -0.19529 -3.11839 0.4413 0 0 0 0 -0.30686 0 -0.04196 0.01276 1.43703 0 -0.07729 0 -1.2888 0.35718 0 -1.99605 TRP_38 -7.55953 0.85309 4.08609 -1.25046 0.08861 0.44183 2.97203 -2.62727 -0 -0 -2.74975 -0.28329 0 0 0 0 0 0 0.00276 0.45055 0 1.66291 -0.30056 0 1.6906 0.23606 0 -2.28633 LEU_39 -9.41581 1.60218 3.96149 -0.50502 0.51183 0.1223 2.90439 -2.95663 -0.00124 -0.00685 -1.9874 0.2419 0 0 0 0 0 0 -1e-05 0.11125 0.32367 0 -0.29461 0 0.18072 0.17838 0 -5.02949 LYS_40 -3.67095 0.12559 4.27619 -0.43189 0.06988 0.25233 1.60406 -1.89258 -1e-05 -6e-05 -0.61076 -0.1667 0 0 0 0 0 0 -0.02626 0.00195 2.25787 0 -0.02669 0 -1.5107 -0.18019 0 0.07109 LYS_41 -2.9809 0.12292 3.71456 -0.30424 0.02943 0.14215 1.43123 -1.65538 -0 -0 -0.24087 -0.09563 0 0 0 0 0 0 0.03545 0.00193 2.00148 0 -0.15464 0 -1.5107 -0.17056 0 0.36622 PHE_42 -5.66009 0.59684 2.19264 -0.8721 0.04137 0.29082 1.44985 -1.65721 -0 -0 -0.82529 0.01639 0 0 0 0 0 0 0.08835 0.01119 0 1.98669 -0.22572 0 1.0402 0.20837 0 -1.31771 TRP:CtermProteinFull_43 -6.16173 0.69622 2.88319 -0.90316 0.0221 0.46596 1.67298 -2.01216 -0.00124 -0.00685 -0.26971 0.0659 0 0 0 0 0 0 0 0.0005 0 1.4814 0 0 1.6906 0.24834 0 -0.12765 #END_POSE_ENERGIES_TABLE start00_0020_0001.pdb score_per_res -2.89312 total_score -124.404
HEEH_KT_rd6_3504.pdb
ATOM 1 N SER A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA SER A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C SER A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O SER A 1 2.443 1.928 1.034 1.00 0.00 O ATOM 5 CB SER A 1 1.980 -0.754 -1.207 1.00 0.00 C ATOM 6 OG SER A 1 1.651 -0.089 -2.396 1.00 0.00 O ATOM 7 1H SER A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 8 2H SER A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 9 3H SER A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 10 HA SER A 1 1.804 -0.509 0.900 1.00 0.00 H ATOM 11 1HB SER A 1 3.062 -0.857 -1.132 1.00 0.00 H ATOM 12 2HB SER A 1 1.556 -1.758 -1.220 1.00 0.00 H ATOM 13 HG SER A 1 1.985 -0.640 -3.108 1.00 0.00 H ATOM 14 N LEU A 2 1.988 2.058 -1.166 1.00 0.00 N ATOM 15 CA LEU A 2 2.627 3.356 -1.341 1.00 0.00 C ATOM 16 C LEU A 2 1.957 4.419 -0.480 1.00 0.00 C ATOM 17 O LEU A 2 2.626 5.279 0.094 1.00 0.00 O ATOM 18 CB LEU A 2 2.577 3.778 -2.815 1.00 0.00 C ATOM 19 CG LEU A 2 3.363 2.889 -3.787 1.00 0.00 C ATOM 20 CD1 LEU A 2 3.005 3.262 -5.220 1.00 0.00 C ATOM 21 CD2 LEU A 2 4.855 3.056 -3.536 1.00 0.00 C ATOM 22 H LEU A 2 1.519 1.630 -1.951 1.00 0.00 H ATOM 23 HA LEU A 2 3.672 3.271 -1.040 1.00 0.00 H ATOM 24 1HB LEU A 2 1.538 3.785 -3.139 1.00 0.00 H ATOM 25 2HB LEU A 2 2.970 4.791 -2.900 1.00 0.00 H ATOM 26 HG LEU A 2 3.084 1.846 -3.635 1.00 0.00 H ATOM 27 1HD1 LEU A 2 3.563 2.630 -5.911 1.00 0.00 H ATOM 28 2HD1 LEU A 2 1.937 3.115 -5.377 1.00 0.00 H ATOM 29 3HD1 LEU A 2 3.258 4.306 -5.398 1.00 0.00 H ATOM 30 1HD2 LEU A 2 5.413 2.423 -4.227 1.00 0.00 H ATOM 31 2HD2 LEU A 2 5.135 4.098 -3.690 1.00 0.00 H ATOM 32 3HD2 LEU A 2 5.085 2.765 -2.511 1.00 0.00 H ATOM 33 N GLU A 3 0.633 4.356 -0.394 1.00 0.00 N ATOM 34 CA GLU A 3 -0.141 5.384 0.291 1.00 0.00 C ATOM 35 C GLU A 3 0.163 5.400 1.783 1.00 0.00 C ATOM 36 O GLU A 3 0.296 6.463 2.388 1.00 0.00 O ATOM 37 CB GLU A 3 -1.639 5.161 0.067 1.00 0.00 C ATOM 38 CG GLU A 3 -2.102 5.394 -1.364 1.00 0.00 C ATOM 39 CD GLU A 3 -1.755 4.257 -2.284 1.00 0.00 C ATOM 40 OE1 GLU A 3 -1.310 3.243 -1.802 1.00 0.00 O ATOM 41 OE2 GLU A 3 -1.935 4.403 -3.470 1.00 0.00 O ATOM 42 H GLU A 3 0.150 3.575 -0.814 1.00 0.00 H ATOM 43 HA GLU A 3 0.124 6.355 -0.131 1.00 0.00 H ATOM 44 1HB GLU A 3 -1.899 4.139 0.341 1.00 0.00 H ATOM 45 2HB GLU A 3 -2.206 5.829 0.716 1.00 0.00 H ATOM 46 1HG GLU A 3 -3.183 5.531 -1.366 1.00 0.00 H ATOM 47 2HG GLU A 3 -1.647 6.310 -1.737 1.00 0.00 H ATOM 48 N GLU A 4 0.271 4.214 2.372 1.00 0.00 N ATOM 49 CA GLU A 4 0.597 4.088 3.788 1.00 0.00 C ATOM 50 C GLU A 4 2.000 4.605 4.078 1.00 0.00 C ATOM 51 O GLU A 4 2.232 5.263 5.092 1.00 0.00 O ATOM 52 CB GLU A 4 0.477 2.630 4.236 1.00 0.00 C ATOM 53 CG GLU A 4 -0.947 2.091 4.247 1.00 0.00 C ATOM 54 CD GLU A 4 -1.419 1.660 2.886 1.00 0.00 C ATOM 55 OE1 GLU A 4 -0.637 1.695 1.967 1.00 0.00 O ATOM 56 OE2 GLU A 4 -2.565 1.295 2.766 1.00 0.00 O ATOM 57 H GLU A 4 0.125 3.377 1.825 1.00 0.00 H ATOM 58 HA GLU A 4 -0.118 4.680 4.361 1.00 0.00 H ATOM 59 1HB GLU A 4 1.069 1.996 3.575 1.00 0.00 H ATOM 60 2HB GLU A 4 0.882 2.524 5.242 1.00 0.00 H ATOM 61 1HG GLU A 4 -0.996 1.238 4.923 1.00 0.00 H ATOM 62 2HG GLU A 4 -1.613 2.862 4.630 1.00 0.00 H ATOM 63 N LEU A 5 2.934 4.301 3.183 1.00 0.00 N ATOM 64 CA LEU A 5 4.307 4.772 3.318 1.00 0.00 C ATOM 65 C LEU A 5 4.373 6.293 3.278 1.00 0.00 C ATOM 66 O LEU A 5 5.169 6.908 3.989 1.00 0.00 O ATOM 67 CB LEU A 5 5.181 4.187 2.201 1.00 0.00 C ATOM 68 CG LEU A 5 5.450 2.680 2.288 1.00 0.00 C ATOM 69 CD1 LEU A 5 6.074 2.199 0.984 1.00 0.00 C ATOM 70 CD2 LEU A 5 6.364 2.394 3.470 1.00 0.00 C ATOM 71 H LEU A 5 2.685 3.729 2.388 1.00 0.00 H ATOM 72 HA LEU A 5 4.698 4.430 4.276 1.00 0.00 H ATOM 73 1HB LEU A 5 4.699 4.383 1.244 1.00 0.00 H ATOM 74 2HB LEU A 5 6.144 4.697 2.209 1.00 0.00 H ATOM 75 HG LEU A 5 4.507 2.149 2.422 1.00 0.00 H ATOM 76 1HD1 LEU A 5 6.265 1.128 1.046 1.00 0.00 H ATOM 77 2HD1 LEU A 5 5.391 2.398 0.159 1.00 0.00 H ATOM 78 3HD1 LEU A 5 7.012 2.725 0.814 1.00 0.00 H ATOM 79 1HD2 LEU A 5 6.555 1.323 3.532 1.00 0.00 H ATOM 80 2HD2 LEU A 5 7.308 2.924 3.336 1.00 0.00 H ATOM 81 3HD2 LEU A 5 5.886 2.732 4.389 1.00 0.00 H ATOM 82 N LEU A 6 3.534 6.897 2.443 1.00 0.00 N ATOM 83 CA LEU A 6 3.489 8.348 2.317 1.00 0.00 C ATOM 84 C LEU A 6 2.983 8.997 3.599 1.00 0.00 C ATOM 85 O LEU A 6 3.551 9.981 4.074 1.00 0.00 O ATOM 86 CB LEU A 6 2.588 8.750 1.143 1.00 0.00 C ATOM 87 CG LEU A 6 2.478 10.256 0.875 1.00 0.00 C ATOM 88 CD1 LEU A 6 3.846 10.807 0.496 1.00 0.00 C ATOM 89 CD2 LEU A 6 1.464 10.502 -0.233 1.00 0.00 C ATOM 90 H LEU A 6 2.911 6.335 1.880 1.00 0.00 H ATOM 91 HA LEU A 6 4.498 8.710 2.117 1.00 0.00 H ATOM 92 1HB LEU A 6 2.967 8.279 0.238 1.00 0.00 H ATOM 93 2HB LEU A 6 1.583 8.372 1.331 1.00 0.00 H ATOM 94 HG LEU A 6 2.153 10.765 1.783 1.00 0.00 H ATOM 95 1HD1 LEU A 6 3.768 11.877 0.305 1.00 0.00 H ATOM 96 2HD1 LEU A 6 4.546 10.635 1.313 1.00 0.00 H ATOM 97 3HD1 LEU A 6 4.204 10.304 -0.402 1.00 0.00 H ATOM 98 1HD2 LEU A 6 1.385 11.573 -0.423 1.00 0.00 H ATOM 99 2HD2 LEU A 6 1.788 9.995 -1.142 1.00 0.00 H ATOM 100 3HD2 LEU A 6 0.491 10.115 0.071 1.00 0.00 H ATOM 101 N LYS A 7 1.914 8.439 4.156 1.00 0.00 N ATOM 102 CA LYS A 7 1.354 8.937 5.407 1.00 0.00 C ATOM 103 C LYS A 7 2.363 8.829 6.543 1.00 0.00 C ATOM 104 O LYS A 7 2.494 9.743 7.358 1.00 0.00 O ATOM 105 CB LYS A 7 0.077 8.175 5.763 1.00 0.00 C ATOM 106 CG LYS A 7 -1.112 8.485 4.863 1.00 0.00 C ATOM 107 CD LYS A 7 -2.328 7.657 5.250 1.00 0.00 C ATOM 108 CE LYS A 7 -3.508 7.944 4.333 1.00 0.00 C ATOM 109 NZ LYS A 7 -4.694 7.113 4.676 1.00 0.00 N ATOM 110 H LYS A 7 1.477 7.650 3.701 1.00 0.00 H ATOM 111 HA LYS A 7 1.088 9.987 5.274 1.00 0.00 H ATOM 112 1HB LYS A 7 0.266 7.103 5.710 1.00 0.00 H ATOM 113 2HB LYS A 7 -0.211 8.406 6.789 1.00 0.00 H ATOM 114 1HG LYS A 7 -1.363 9.544 4.944 1.00 0.00 H ATOM 115 2HG LYS A 7 -0.851 8.270 3.828 1.00 0.00 H ATOM 116 1HD LYS A 7 -2.081 6.597 5.189 1.00 0.00 H ATOM 117 2HD LYS A 7 -2.614 7.887 6.276 1.00 0.00 H ATOM 118 1HE LYS A 7 -3.782 8.995 4.410 1.00 0.00 H ATOM 119 2HE LYS A 7 -3.225 7.740 3.300 1.00 0.00 H ATOM 120 1HZ LYS A 7 -5.453 7.333 4.046 1.00 0.00 H ATOM 121 2HZ LYS A 7 -4.458 6.135 4.589 1.00 0.00 H ATOM 122 3HZ LYS A 7 -4.979 7.308 5.625 1.00 0.00 H ATOM 123 N LEU A 8 3.074 7.709 6.592 1.00 0.00 N ATOM 124 CA LEU A 8 4.089 7.489 7.616 1.00 0.00 C ATOM 125 C LEU A 8 5.283 8.414 7.413 1.00 0.00 C ATOM 126 O LEU A 8 5.836 8.950 8.374 1.00 0.00 O ATOM 127 CB LEU A 8 4.556 6.029 7.594 1.00 0.00 C ATOM 128 CG LEU A 8 3.519 4.992 8.045 1.00 0.00 C ATOM 129 CD1 LEU A 8 4.008 3.595 7.687 1.00 0.00 C ATOM 130 CD2 LEU A 8 3.288 5.123 9.543 1.00 0.00 C ATOM 131 H LEU A 8 2.907 6.989 5.903 1.00 0.00 H ATOM 132 HA LEU A 8 3.648 7.696 8.591 1.00 0.00 H ATOM 133 1HB LEU A 8 4.858 5.775 6.580 1.00 0.00 H ATOM 134 2HB LEU A 8 5.426 5.932 8.245 1.00 0.00 H ATOM 135 HG LEU A 8 2.581 5.163 7.517 1.00 0.00 H ATOM 136 1HD1 LEU A 8 3.271 2.859 8.007 1.00 0.00 H ATOM 137 2HD1 LEU A 8 4.146 3.524 6.608 1.00 0.00 H ATOM 138 3HD1 LEU A 8 4.955 3.402 8.189 1.00 0.00 H ATOM 139 1HD2 LEU A 8 2.550 4.387 9.864 1.00 0.00 H ATOM 140 2HD2 LEU A 8 4.226 4.951 10.073 1.00 0.00 H ATOM 141 3HD2 LEU A 8 2.922 6.125 9.769 1.00 0.00 H ATOM 142 N ALA A 9 5.677 8.597 6.157 1.00 0.00 N ATOM 143 CA ALA A 9 6.831 9.427 5.830 1.00 0.00 C ATOM 144 C ALA A 9 6.584 10.884 6.197 1.00 0.00 C ATOM 145 O ALA A 9 7.469 11.561 6.720 1.00 0.00 O ATOM 146 CB ALA A 9 7.169 9.304 4.351 1.00 0.00 C ATOM 147 H ALA A 9 5.165 8.151 5.410 1.00 0.00 H ATOM 148 HA ALA A 9 7.690 9.064 6.396 1.00 0.00 H ATOM 149 1HB ALA A 9 8.033 9.929 4.123 1.00 0.00 H ATOM 150 2HB ALA A 9 7.401 8.265 4.116 1.00 0.00 H ATOM 151 3HB ALA A 9 6.318 9.630 3.756 1.00 0.00 H ATOM 152 N ARG A 10 5.375 11.362 5.920 1.00 0.00 N ATOM 153 CA ARG A 10 4.997 12.730 6.254 1.00 0.00 C ATOM 154 C ARG A 10 4.953 12.935 7.763 1.00 0.00 C ATOM 155 O ARG A 10 5.405 13.960 8.273 1.00 0.00 O ATOM 156 CB ARG A 10 3.639 13.071 5.659 1.00 0.00 C ATOM 157 CG ARG A 10 3.627 13.236 4.147 1.00 0.00 C ATOM 158 CD ARG A 10 2.304 13.701 3.656 1.00 0.00 C ATOM 159 NE ARG A 10 2.214 13.646 2.206 1.00 0.00 N ATOM 160 CZ ARG A 10 2.793 14.529 1.369 1.00 0.00 C ATOM 161 NH1 ARG A 10 3.499 15.527 1.853 1.00 0.00 N ATOM 162 NH2 ARG A 10 2.652 14.391 0.063 1.00 0.00 N ATOM 163 H ARG A 10 4.701 10.763 5.466 1.00 0.00 H ATOM 164 HA ARG A 10 5.740 13.407 5.830 1.00 0.00 H ATOM 165 1HB ARG A 10 2.925 12.289 5.911 1.00 0.00 H ATOM 166 2HB ARG A 10 3.274 14.001 6.095 1.00 0.00 H ATOM 167 1HG ARG A 10 4.378 13.970 3.855 1.00 0.00 H ATOM 168 2HG ARG A 10 3.851 12.279 3.675 1.00 0.00 H ATOM 169 1HD ARG A 10 1.520 13.069 4.071 1.00 0.00 H ATOM 170 2HD ARG A 10 2.142 14.732 3.969 1.00 0.00 H ATOM 171 HE ARG A 10 1.679 12.891 1.797 1.00 0.00 H ATOM 172 1HH1 ARG A 10 3.607 15.632 2.852 1.00 0.00 H ATOM 173 2HH1 ARG A 10 3.933 16.188 1.226 1.00 0.00 H ATOM 174 1HH2 ARG A 10 2.109 13.624 -0.309 1.00 0.00 H ATOM 175 2HH2 ARG A 10 3.085 15.053 -0.564 1.00 0.00 H ATOM 176 N HIS A 11 4.404 11.955 8.472 1.00 0.00 N ATOM 177 CA HIS A 11 4.409 11.969 9.931 1.00 0.00 C ATOM 178 C HIS A 11 5.831 12.005 10.476 1.00 0.00 C ATOM 179 O HIS A 11 6.169 12.853 11.302 1.00 0.00 O ATOM 180 CB HIS A 11 3.673 10.746 10.486 1.00 0.00 C ATOM 181 CG HIS A 11 3.848 10.558 11.962 1.00 0.00 C ATOM 182 ND1 HIS A 11 3.038 11.177 12.891 1.00 0.00 N ATOM 183 CD2 HIS A 11 4.738 9.822 12.668 1.00 0.00 C ATOM 184 CE1 HIS A 11 3.423 10.828 14.106 1.00 0.00 C ATOM 185 NE2 HIS A 11 4.452 10.008 13.998 1.00 0.00 N ATOM 186 H HIS A 11 3.973 11.181 7.989 1.00 0.00 H ATOM 187 HA HIS A 11 3.882 12.862 10.269 1.00 0.00 H ATOM 188 1HB HIS A 11 2.607 10.836 10.278 1.00 0.00 H ATOM 189 2HB HIS A 11 4.030 9.847 9.984 1.00 0.00 H ATOM 190 HD2 HIS A 11 5.533 9.199 12.257 1.00 0.00 H ATOM 191 HE1 HIS A 11 2.969 11.161 15.039 1.00 0.00 H ATOM 192 HE2 HIS A 11 4.952 9.582 14.766 1.00 0.00 H ATOM 193 N ALA A 12 6.661 11.078 10.010 1.00 0.00 N ATOM 194 CA ALA A 12 8.014 10.928 10.534 1.00 0.00 C ATOM 195 C ALA A 12 8.824 12.203 10.339 1.00 0.00 C ATOM 196 O ALA A 12 9.556 12.628 11.234 1.00 0.00 O ATOM 197 CB ALA A 12 8.711 9.750 9.870 1.00 0.00 C ATOM 198 H ALA A 12 6.348 10.460 9.275 1.00 0.00 H ATOM 199 HA ALA A 12 7.950 10.714 11.601 1.00 0.00 H ATOM 200 1HB ALA A 12 9.720 9.651 10.271 1.00 0.00 H ATOM 201 2HB ALA A 12 8.151 8.836 10.067 1.00 0.00 H ATOM 202 3HB ALA A 12 8.764 9.918 8.795 1.00 0.00 H ATOM 203 N LEU A 13 8.689 12.810 9.164 1.00 0.00 N ATOM 204 CA LEU A 13 9.459 14.001 8.826 1.00 0.00 C ATOM 205 C LEU A 13 9.044 15.187 9.685 1.00 0.00 C ATOM 206 O LEU A 13 9.890 15.933 10.181 1.00 0.00 O ATOM 207 CB LEU A 13 9.275 14.348 7.343 1.00 0.00 C ATOM 208 CG LEU A 13 10.121 15.517 6.823 1.00 0.00 C ATOM 209 CD1 LEU A 13 11.598 15.171 6.950 1.00 0.00 C ATOM 210 CD2 LEU A 13 9.749 15.809 5.377 1.00 0.00 C ATOM 211 H LEU A 13 8.038 12.436 8.490 1.00 0.00 H ATOM 212 HA LEU A 13 10.515 13.794 9.002 1.00 0.00 H ATOM 213 1HB LEU A 13 9.522 13.470 6.748 1.00 0.00 H ATOM 214 2HB LEU A 13 8.227 14.595 7.171 1.00 0.00 H ATOM 215 HG LEU A 13 9.932 16.402 7.432 1.00 0.00 H ATOM 216 1HD1 LEU A 13 12.199 16.002 6.580 1.00 0.00 H ATOM 217 2HD1 LEU A 13 11.840 14.987 7.996 1.00 0.00 H ATOM 218 3HD1 LEU A 13 11.814 14.279 6.363 1.00 0.00 H ATOM 219 1HD2 LEU A 13 10.350 16.641 5.007 1.00 0.00 H ATOM 220 2HD2 LEU A 13 9.939 14.925 4.767 1.00 0.00 H ATOM 221 3HD2 LEU A 13 8.693 16.070 5.318 1.00 0.00 H ATOM 222 N ARG A 14 7.738 15.359 9.859 1.00 0.00 N ATOM 223 CA ARG A 14 7.207 16.488 10.613 1.00 0.00 C ATOM 224 C ARG A 14 7.634 16.425 12.074 1.00 0.00 C ATOM 225 O ARG A 14 7.971 17.445 12.676 1.00 0.00 O ATOM 226 CB ARG A 14 5.688 16.518 10.532 1.00 0.00 C ATOM 227 CG ARG A 14 5.037 17.729 11.182 1.00 0.00 C ATOM 228 CD ARG A 14 3.560 17.713 11.017 1.00 0.00 C ATOM 229 NE ARG A 14 2.941 16.645 11.785 1.00 0.00 N ATOM 230 CZ ARG A 14 1.689 16.189 11.588 1.00 0.00 C ATOM 231 NH1 ARG A 14 0.937 16.717 10.648 1.00 0.00 N ATOM 232 NH2 ARG A 14 1.216 15.211 12.341 1.00 0.00 N ATOM 233 H ARG A 14 7.097 14.689 9.459 1.00 0.00 H ATOM 234 HA ARG A 14 7.593 17.409 10.175 1.00 0.00 H ATOM 235 1HB ARG A 14 5.378 16.498 9.488 1.00 0.00 H ATOM 236 2HB ARG A 14 5.280 15.628 11.012 1.00 0.00 H ATOM 237 1HG ARG A 14 5.263 17.736 12.248 1.00 0.00 H ATOM 238 2HG ARG A 14 5.423 18.640 10.723 1.00 0.00 H ATOM 239 1HD ARG A 14 3.146 18.662 11.358 1.00 0.00 H ATOM 240 2HD ARG A 14 3.313 17.566 9.967 1.00 0.00 H ATOM 241 HE ARG A 14 3.489 16.214 12.517 1.00 0.00 H ATOM 242 1HH1 ARG A 14 1.298 17.465 10.073 1.00 0.00 H ATOM 243 2HH1 ARG A 14 -0.002 16.375 10.501 1.00 0.00 H ATOM 244 1HH2 ARG A 14 1.794 14.805 13.064 1.00 0.00 H ATOM 245 2HH2 ARG A 14 0.278 14.869 12.194 1.00 0.00 H ATOM 246 N HIS A 15 7.619 15.223 12.638 1.00 0.00 N ATOM 247 CA HIS A 15 7.872 15.043 14.063 1.00 0.00 C ATOM 248 C HIS A 15 9.327 14.671 14.322 1.00 0.00 C ATOM 249 O HIS A 15 9.797 14.716 15.458 1.00 0.00 O ATOM 250 CB HIS A 15 6.953 13.965 14.645 1.00 0.00 C ATOM 251 CG HIS A 15 5.511 14.366 14.695 1.00 0.00 C ATOM 252 ND1 HIS A 15 4.988 15.133 15.715 1.00 0.00 N ATOM 253 CD2 HIS A 15 4.483 14.107 13.853 1.00 0.00 C ATOM 254 CE1 HIS A 15 3.699 15.329 15.497 1.00 0.00 C ATOM 255 NE2 HIS A 15 3.369 14.717 14.375 1.00 0.00 N ATOM 256 H HIS A 15 7.427 14.413 12.066 1.00 0.00 H ATOM 257 HA HIS A 15 7.655 15.981 14.575 1.00 0.00 H ATOM 258 1HB HIS A 15 7.033 13.056 14.047 1.00 0.00 H ATOM 259 2HB HIS A 15 7.274 13.719 15.657 1.00 0.00 H ATOM 260 HD1 HIS A 15 5.503 15.554 16.462 1.00 0.00 H ATOM 261 HD2 HIS A 15 4.413 13.546 12.921 1.00 0.00 H ATOM 262 HE1 HIS A 15 3.102 15.917 16.194 1.00 0.00 H ATOM 263 N GLY A 16 10.037 14.306 13.260 1.00 0.00 N ATOM 264 CA GLY A 16 11.439 13.922 13.370 1.00 0.00 C ATOM 265 C GLY A 16 11.583 12.509 13.917 1.00 0.00 C ATOM 266 O GLY A 16 12.548 12.196 14.614 1.00 0.00 O ATOM 267 H GLY A 16 9.593 14.293 12.352 1.00 0.00 H ATOM 268 1HA GLY A 16 11.912 13.988 12.390 1.00 0.00 H ATOM 269 2HA GLY A 16 11.957 14.623 14.024 1.00 0.00 H ATOM 270 N GLU A 17 10.615 11.656 13.596 1.00 0.00 N ATOM 271 CA GLU A 17 10.605 10.286 14.096 1.00 0.00 C ATOM 272 C GLU A 17 11.144 9.315 13.053 1.00 0.00 C ATOM 273 O GLU A 17 11.458 9.708 11.929 1.00 0.00 O ATOM 274 CB GLU A 17 9.188 9.876 14.503 1.00 0.00 C ATOM 275 CG GLU A 17 8.608 10.682 15.657 1.00 0.00 C ATOM 276 CD GLU A 17 7.217 10.253 16.029 1.00 0.00 C ATOM 277 OE1 GLU A 17 6.717 9.334 15.425 1.00 0.00 O ATOM 278 OE2 GLU A 17 6.652 10.844 16.919 1.00 0.00 O ATOM 279 H GLU A 17 9.867 11.963 12.991 1.00 0.00 H ATOM 280 HA GLU A 17 11.242 10.235 14.981 1.00 0.00 H ATOM 281 1HB GLU A 17 8.519 9.985 13.650 1.00 0.00 H ATOM 282 2HB GLU A 17 9.182 8.826 14.793 1.00 0.00 H ATOM 283 1HG GLU A 17 9.256 10.570 16.526 1.00 0.00 H ATOM 284 2HG GLU A 17 8.597 11.736 15.381 1.00 0.00 H ATOM 285 N GLU A 18 11.247 8.045 13.430 1.00 0.00 N ATOM 286 CA GLU A 18 11.781 7.021 12.539 1.00 0.00 C ATOM 287 C GLU A 18 10.660 6.260 11.843 1.00 0.00 C ATOM 288 O GLU A 18 9.540 6.187 12.347 1.00 0.00 O ATOM 289 CB GLU A 18 12.667 6.046 13.317 1.00 0.00 C ATOM 290 CG GLU A 18 13.883 6.687 13.972 1.00 0.00 C ATOM 291 CD GLU A 18 14.695 5.711 14.778 1.00 0.00 C ATOM 292 OE1 GLU A 18 14.226 4.622 15.005 1.00 0.00 O ATOM 293 OE2 GLU A 18 15.786 6.056 15.167 1.00 0.00 O ATOM 294 H GLU A 18 10.949 7.782 14.359 1.00 0.00 H ATOM 295 HA GLU A 18 12.396 7.509 11.781 1.00 0.00 H ATOM 296 1HB GLU A 18 12.080 5.565 14.099 1.00 0.00 H ATOM 297 2HB GLU A 18 13.022 5.263 12.646 1.00 0.00 H ATOM 298 1HG GLU A 18 14.516 7.116 13.196 1.00 0.00 H ATOM 299 2HG GLU A 18 13.549 7.496 14.619 1.00 0.00 H ATOM 300 N ILE A 19 10.969 5.694 10.681 1.00 0.00 N ATOM 301 CA ILE A 19 10.036 4.818 9.984 1.00 0.00 C ATOM 302 C ILE A 19 10.412 3.353 10.167 1.00 0.00 C ATOM 303 O ILE A 19 11.522 2.940 9.829 1.00 0.00 O ATOM 304 CB ILE A 19 9.987 5.151 8.481 1.00 0.00 C ATOM 305 CG1 ILE A 19 9.615 6.622 8.273 1.00 0.00 C ATOM 306 CG2 ILE A 19 8.999 4.243 7.766 1.00 0.00 C ATOM 307 CD1 ILE A 19 9.753 7.089 6.842 1.00 0.00 C ATOM 308 H ILE A 19 11.874 5.874 10.272 1.00 0.00 H ATOM 309 HA ILE A 19 9.039 4.977 10.395 1.00 0.00 H ATOM 310 HB ILE A 19 10.976 5.011 8.046 1.00 0.00 H ATOM 311 1HG1 ILE A 19 8.585 6.785 8.588 1.00 0.00 H ATOM 312 2HG1 ILE A 19 10.251 7.250 8.898 1.00 0.00 H ATOM 313 1HG2 ILE A 19 8.977 4.492 6.706 1.00 0.00 H ATOM 314 2HG2 ILE A 19 9.306 3.205 7.888 1.00 0.00 H ATOM 315 3HG2 ILE A 19 8.005 4.379 8.192 1.00 0.00 H ATOM 316 1HD1 ILE A 19 9.472 8.140 6.774 1.00 0.00 H ATOM 317 2HD1 ILE A 19 10.787 6.968 6.517 1.00 0.00 H ATOM 318 3HD1 ILE A 19 9.099 6.498 6.202 1.00 0.00 H ATOM 319 N HIS A 20 9.482 2.572 10.705 1.00 0.00 N ATOM 320 CA HIS A 20 9.708 1.147 10.919 1.00 0.00 C ATOM 321 C HIS A 20 8.639 0.310 10.229 1.00 0.00 C ATOM 322 O HIS A 20 7.566 0.076 10.785 1.00 0.00 O ATOM 323 CB HIS A 20 9.734 0.821 12.416 1.00 0.00 C ATOM 324 CG HIS A 20 10.914 1.394 13.136 1.00 0.00 C ATOM 325 ND1 HIS A 20 11.978 0.621 13.552 1.00 0.00 N ATOM 326 CD2 HIS A 20 11.199 2.662 13.515 1.00 0.00 C ATOM 327 CE1 HIS A 20 12.867 1.391 14.156 1.00 0.00 C ATOM 328 NE2 HIS A 20 12.418 2.632 14.146 1.00 0.00 N ATOM 329 H HIS A 20 8.595 2.974 10.972 1.00 0.00 H ATOM 330 HA HIS A 20 10.681 0.885 10.502 1.00 0.00 H ATOM 331 1HB HIS A 20 8.828 1.204 12.887 1.00 0.00 H ATOM 332 2HB HIS A 20 9.742 -0.260 12.552 1.00 0.00 H ATOM 333 HD2 HIS A 20 10.577 3.542 13.350 1.00 0.00 H ATOM 334 HE1 HIS A 20 13.811 1.057 14.587 1.00 0.00 H ATOM 335 HE2 HIS A 20 12.890 3.435 14.538 1.00 0.00 H ATOM 336 N VAL A 21 8.937 -0.139 9.015 1.00 0.00 N ATOM 337 CA VAL A 21 7.974 -0.887 8.216 1.00 0.00 C ATOM 338 C VAL A 21 8.578 -2.185 7.696 1.00 0.00 C ATOM 339 O VAL A 21 9.603 -2.174 7.014 1.00 0.00 O ATOM 340 CB VAL A 21 7.492 -0.036 7.025 1.00 0.00 C ATOM 341 CG1 VAL A 21 6.533 -0.834 6.154 1.00 0.00 C ATOM 342 CG2 VAL A 21 6.829 1.235 7.532 1.00 0.00 C ATOM 343 H VAL A 21 9.856 0.042 8.636 1.00 0.00 H ATOM 344 HA VAL A 21 7.116 -1.127 8.845 1.00 0.00 H ATOM 345 HB VAL A 21 8.350 0.223 6.405 1.00 0.00 H ATOM 346 1HG1 VAL A 21 6.203 -0.217 5.317 1.00 0.00 H ATOM 347 2HG1 VAL A 21 7.040 -1.720 5.773 1.00 0.00 H ATOM 348 3HG1 VAL A 21 5.669 -1.135 6.745 1.00 0.00 H ATOM 349 1HG2 VAL A 21 6.492 1.832 6.686 1.00 0.00 H ATOM 350 2HG2 VAL A 21 5.974 0.976 8.157 1.00 0.00 H ATOM 351 3HG2 VAL A 21 7.546 1.810 8.119 1.00 0.00 H ATOM 352 N LEU A 22 7.938 -3.302 8.022 1.00 0.00 N ATOM 353 CA LEU A 22 8.437 -4.614 7.629 1.00 0.00 C ATOM 354 C LEU A 22 9.900 -4.786 8.017 1.00 0.00 C ATOM 355 O LEU A 22 10.243 -4.781 9.199 1.00 0.00 O ATOM 356 CB LEU A 22 8.276 -4.810 6.116 1.00 0.00 C ATOM 357 CG LEU A 22 6.839 -4.729 5.584 1.00 0.00 C ATOM 358 CD1 LEU A 22 6.860 -4.734 4.062 1.00 0.00 C ATOM 359 CD2 LEU A 22 6.031 -5.900 6.124 1.00 0.00 C ATOM 360 H LEU A 22 7.084 -3.241 8.558 1.00 0.00 H ATOM 361 HA LEU A 22 7.848 -5.376 8.139 1.00 0.00 H ATOM 362 1HB LEU A 22 8.862 -4.050 5.603 1.00 0.00 H ATOM 363 2HB LEU A 22 8.674 -5.789 5.849 1.00 0.00 H ATOM 364 HG LEU A 22 6.383 -3.793 5.908 1.00 0.00 H ATOM 365 1HD1 LEU A 22 5.840 -4.676 3.683 1.00 0.00 H ATOM 366 2HD1 LEU A 22 7.429 -3.876 3.703 1.00 0.00 H ATOM 367 3HD1 LEU A 22 7.327 -5.653 3.707 1.00 0.00 H ATOM 368 1HD2 LEU A 22 5.010 -5.842 5.746 1.00 0.00 H ATOM 369 2HD2 LEU A 22 6.485 -6.836 5.799 1.00 0.00 H ATOM 370 3HD2 LEU A 22 6.018 -5.861 7.213 1.00 0.00 H ATOM 371 N ASP A 23 10.759 -4.939 7.014 1.00 0.00 N ATOM 372 CA ASP A 23 12.173 -5.200 7.251 1.00 0.00 C ATOM 373 C ASP A 23 13.035 -4.039 6.771 1.00 0.00 C ATOM 374 O ASP A 23 14.211 -4.217 6.452 1.00 0.00 O ATOM 375 CB ASP A 23 12.606 -6.489 6.549 1.00 0.00 C ATOM 376 CG ASP A 23 12.343 -6.464 5.049 1.00 0.00 C ATOM 377 OD1 ASP A 23 11.655 -5.577 4.601 1.00 0.00 O ATOM 378 OD2 ASP A 23 12.831 -7.332 4.366 1.00 0.00 O ATOM 379 H ASP A 23 10.423 -4.873 6.064 1.00 0.00 H ATOM 380 HA ASP A 23 12.327 -5.328 8.323 1.00 0.00 H ATOM 381 1HB ASP A 23 13.671 -6.653 6.713 1.00 0.00 H ATOM 382 2HB ASP A 23 12.073 -7.336 6.983 1.00 0.00 H ATOM 383 N ARG A 24 12.444 -2.851 6.720 1.00 0.00 N ATOM 384 CA ARG A 24 13.173 -1.647 6.337 1.00 0.00 C ATOM 385 C ARG A 24 12.959 -0.529 7.349 1.00 0.00 C ATOM 386 O ARG A 24 11.825 -0.212 7.708 1.00 0.00 O ATOM 387 CB ARG A 24 12.736 -1.171 4.959 1.00 0.00 C ATOM 388 CG ARG A 24 13.023 -2.143 3.826 1.00 0.00 C ATOM 389 CD ARG A 24 14.477 -2.238 3.539 1.00 0.00 C ATOM 390 NE ARG A 24 14.752 -3.122 2.417 1.00 0.00 N ATOM 391 CZ ARG A 24 14.937 -4.452 2.519 1.00 0.00 C ATOM 392 NH1 ARG A 24 14.874 -5.037 3.695 1.00 0.00 N ATOM 393 NH2 ARG A 24 15.183 -5.170 1.437 1.00 0.00 N ATOM 394 H ARG A 24 11.464 -2.779 6.952 1.00 0.00 H ATOM 395 HA ARG A 24 14.237 -1.885 6.299 1.00 0.00 H ATOM 396 1HB ARG A 24 11.664 -0.978 4.965 1.00 0.00 H ATOM 397 2HB ARG A 24 13.236 -0.232 4.723 1.00 0.00 H ATOM 398 1HG ARG A 24 12.661 -3.135 4.097 1.00 0.00 H ATOM 399 2HG ARG A 24 12.516 -1.806 2.920 1.00 0.00 H ATOM 400 1HD ARG A 24 14.866 -1.249 3.297 1.00 0.00 H ATOM 401 2HD ARG A 24 14.996 -2.627 4.414 1.00 0.00 H ATOM 402 HE ARG A 24 14.808 -2.708 1.496 1.00 0.00 H ATOM 403 1HH1 ARG A 24 14.687 -4.488 4.522 1.00 0.00 H ATOM 404 2HH1 ARG A 24 15.013 -6.034 3.771 1.00 0.00 H ATOM 405 1HH2 ARG A 24 15.231 -4.720 0.533 1.00 0.00 H ATOM 406 2HH2 ARG A 24 15.321 -6.166 1.513 1.00 0.00 H ATOM 407 N VAL A 25 14.056 0.068 7.804 1.00 0.00 N ATOM 408 CA VAL A 25 13.990 1.150 8.779 1.00 0.00 C ATOM 409 C VAL A 25 14.730 2.385 8.281 1.00 0.00 C ATOM 410 O VAL A 25 15.877 2.299 7.845 1.00 0.00 O ATOM 411 CB VAL A 25 14.596 0.699 10.122 1.00 0.00 C ATOM 412 CG1 VAL A 25 14.581 1.843 11.124 1.00 0.00 C ATOM 413 CG2 VAL A 25 13.829 -0.500 10.659 1.00 0.00 C ATOM 414 H VAL A 25 14.957 -0.237 7.467 1.00 0.00 H ATOM 415 HA VAL A 25 12.943 1.410 8.938 1.00 0.00 H ATOM 416 HB VAL A 25 15.639 0.423 9.964 1.00 0.00 H ATOM 417 1HG1 VAL A 25 15.013 1.506 12.067 1.00 0.00 H ATOM 418 2HG1 VAL A 25 15.166 2.676 10.735 1.00 0.00 H ATOM 419 3HG1 VAL A 25 13.554 2.166 11.292 1.00 0.00 H ATOM 420 1HG2 VAL A 25 14.264 -0.814 11.608 1.00 0.00 H ATOM 421 2HG2 VAL A 25 12.785 -0.225 10.811 1.00 0.00 H ATOM 422 3HG2 VAL A 25 13.888 -1.320 9.944 1.00 0.00 H ATOM 423 N ILE A 26 14.065 3.533 8.350 1.00 0.00 N ATOM 424 CA ILE A 26 14.667 4.793 7.930 1.00 0.00 C ATOM 425 C ILE A 26 14.814 5.752 9.105 1.00 0.00 C ATOM 426 O ILE A 26 13.834 6.094 9.765 1.00 0.00 O ATOM 427 CB ILE A 26 13.830 5.460 6.823 1.00 0.00 C ATOM 428 CG1 ILE A 26 13.713 4.532 5.611 1.00 0.00 C ATOM 429 CG2 ILE A 26 14.444 6.792 6.421 1.00 0.00 C ATOM 430 CD1 ILE A 26 12.675 4.972 4.604 1.00 0.00 C ATOM 431 H ILE A 26 13.119 3.534 8.702 1.00 0.00 H ATOM 432 HA ILE A 26 15.658 4.585 7.523 1.00 0.00 H ATOM 433 HB ILE A 26 12.818 5.632 7.187 1.00 0.00 H ATOM 434 1HG1 ILE A 26 14.675 4.472 5.104 1.00 0.00 H ATOM 435 2HG1 ILE A 26 13.457 3.527 5.945 1.00 0.00 H ATOM 436 1HG2 ILE A 26 13.840 7.249 5.637 1.00 0.00 H ATOM 437 2HG2 ILE A 26 14.477 7.453 7.286 1.00 0.00 H ATOM 438 3HG2 ILE A 26 15.456 6.629 6.050 1.00 0.00 H ATOM 439 1HD1 ILE A 26 12.650 4.265 3.774 1.00 0.00 H ATOM 440 2HD1 ILE A 26 11.695 5.005 5.081 1.00 0.00 H ATOM 441 3HD1 ILE A 26 12.929 5.962 4.228 1.00 0.00 H ATOM 442 N THR A 27 16.044 6.184 9.359 1.00 0.00 N ATOM 443 CA THR A 27 16.329 7.069 10.482 1.00 0.00 C ATOM 444 C THR A 27 16.745 8.454 10.001 1.00 0.00 C ATOM 445 O THR A 27 16.725 9.419 10.765 1.00 0.00 O ATOM 446 CB THR A 27 17.429 6.483 11.385 1.00 0.00 C ATOM 447 OG1 THR A 27 18.650 6.368 10.642 1.00 0.00 O ATOM 448 CG2 THR A 27 17.022 5.110 11.899 1.00 0.00 C ATOM 449 H THR A 27 16.802 5.892 8.759 1.00 0.00 H ATOM 450 HA THR A 27 15.424 7.166 11.084 1.00 0.00 H ATOM 451 HB THR A 27 17.597 7.147 12.232 1.00 0.00 H ATOM 452 HG1 THR A 27 19.384 6.253 11.250 1.00 0.00 H ATOM 453 1HG2 THR A 27 17.812 4.711 12.535 1.00 0.00 H ATOM 454 2HG2 THR A 27 16.100 5.196 12.474 1.00 0.00 H ATOM 455 3HG2 THR A 27 16.863 4.439 11.056 1.00 0.00 H ATOM 456 N ASP A 28 17.122 8.544 8.730 1.00 0.00 N ATOM 457 CA ASP A 28 17.622 9.793 8.167 1.00 0.00 C ATOM 458 C ASP A 28 16.479 10.684 7.698 1.00 0.00 C ATOM 459 O ASP A 28 15.681 10.290 6.847 1.00 0.00 O ATOM 460 CB ASP A 28 18.571 9.513 7.000 1.00 0.00 C ATOM 461 CG ASP A 28 19.185 10.779 6.417 1.00 0.00 C ATOM 462 OD1 ASP A 28 18.863 11.843 6.891 1.00 0.00 O ATOM 463 OD2 ASP A 28 19.969 10.670 5.505 1.00 0.00 O ATOM 464 H ASP A 28 17.060 7.728 8.139 1.00 0.00 H ATOM 465 HA ASP A 28 18.183 10.321 8.940 1.00 0.00 H ATOM 466 1HB ASP A 28 19.376 8.857 7.334 1.00 0.00 H ATOM 467 2HB ASP A 28 18.031 8.991 6.209 1.00 0.00 H ATOM 468 N GLU A 29 16.404 11.885 8.260 1.00 0.00 N ATOM 469 CA GLU A 29 15.348 12.829 7.911 1.00 0.00 C ATOM 470 C GLU A 29 15.376 13.162 6.425 1.00 0.00 C ATOM 471 O GLU A 29 14.332 13.374 5.807 1.00 0.00 O ATOM 472 CB GLU A 29 15.486 14.112 8.733 1.00 0.00 C ATOM 473 CG GLU A 29 15.138 13.954 10.207 1.00 0.00 C ATOM 474 CD GLU A 29 15.317 15.226 10.989 1.00 0.00 C ATOM 475 OE1 GLU A 29 15.800 16.181 10.431 1.00 0.00 O ATOM 476 OE2 GLU A 29 14.971 15.241 12.147 1.00 0.00 O ATOM 477 H GLU A 29 17.096 12.152 8.945 1.00 0.00 H ATOM 478 HA GLU A 29 14.386 12.375 8.150 1.00 0.00 H ATOM 479 1HB GLU A 29 16.511 14.477 8.669 1.00 0.00 H ATOM 480 2HB GLU A 29 14.837 14.882 8.317 1.00 0.00 H ATOM 481 1HG GLU A 29 14.101 13.632 10.292 1.00 0.00 H ATOM 482 2HG GLU A 29 15.768 13.177 10.637 1.00 0.00 H ATOM 483 N HIS A 30 16.575 13.204 5.854 1.00 0.00 N ATOM 484 CA HIS A 30 16.739 13.493 4.435 1.00 0.00 C ATOM 485 C HIS A 30 16.111 12.404 3.575 1.00 0.00 C ATOM 486 O HIS A 30 15.368 12.691 2.636 1.00 0.00 O ATOM 487 CB HIS A 30 18.222 13.641 4.081 1.00 0.00 C ATOM 488 CG HIS A 30 18.464 14.055 2.663 1.00 0.00 C ATOM 489 ND1 HIS A 30 18.324 15.359 2.235 1.00 0.00 N ATOM 490 CD2 HIS A 30 18.834 13.339 1.575 1.00 0.00 C ATOM 491 CE1 HIS A 30 18.600 15.426 0.944 1.00 0.00 C ATOM 492 NE2 HIS A 30 18.911 14.215 0.520 1.00 0.00 N ATOM 493 H HIS A 30 17.394 13.033 6.419 1.00 0.00 H ATOM 494 HA HIS A 30 16.245 14.440 4.215 1.00 0.00 H ATOM 495 1HB HIS A 30 18.681 14.382 4.736 1.00 0.00 H ATOM 496 2HB HIS A 30 18.732 12.693 4.251 1.00 0.00 H ATOM 497 HD1 HIS A 30 18.130 16.153 2.811 1.00 0.00 H ATOM 498 HD2 HIS A 30 19.057 12.282 1.425 1.00 0.00 H ATOM 499 HE1 HIS A 30 18.548 16.378 0.414 1.00 0.00 H ATOM 500 N GLU A 31 16.412 11.152 3.901 1.00 0.00 N ATOM 501 CA GLU A 31 15.856 10.016 3.176 1.00 0.00 C ATOM 502 C GLU A 31 14.333 10.008 3.248 1.00 0.00 C ATOM 503 O GLU A 31 13.659 9.670 2.275 1.00 0.00 O ATOM 504 CB GLU A 31 16.409 8.703 3.737 1.00 0.00 C ATOM 505 CG GLU A 31 15.954 7.459 2.988 1.00 0.00 C ATOM 506 CD GLU A 31 16.633 6.206 3.468 1.00 0.00 C ATOM 507 OE1 GLU A 31 17.451 6.298 4.352 1.00 0.00 O ATOM 508 OE2 GLU A 31 16.334 5.156 2.951 1.00 0.00 O ATOM 509 H GLU A 31 17.042 10.982 4.672 1.00 0.00 H ATOM 510 HA GLU A 31 16.157 10.092 2.131 1.00 0.00 H ATOM 511 1HB GLU A 31 17.499 8.728 3.713 1.00 0.00 H ATOM 512 2HB GLU A 31 16.107 8.596 4.778 1.00 0.00 H ATOM 513 1HG GLU A 31 14.878 7.345 3.113 1.00 0.00 H ATOM 514 2HG GLU A 31 16.157 7.592 1.926 1.00 0.00 H ATOM 515 N ILE A 32 13.799 10.385 4.404 1.00 0.00 N ATOM 516 CA ILE A 32 12.355 10.442 4.597 1.00 0.00 C ATOM 517 C ILE A 32 11.716 11.478 3.681 1.00 0.00 C ATOM 518 O ILE A 32 10.691 11.216 3.052 1.00 0.00 O ATOM 519 CB ILE A 32 12.009 10.768 6.062 1.00 0.00 C ATOM 520 CG1 ILE A 32 12.455 9.629 6.982 1.00 0.00 C ATOM 521 CG2 ILE A 32 10.518 11.026 6.212 1.00 0.00 C ATOM 522 CD1 ILE A 32 12.398 9.975 8.453 1.00 0.00 C ATOM 523 H ILE A 32 14.409 10.637 5.169 1.00 0.00 H ATOM 524 HA ILE A 32 11.935 9.463 4.364 1.00 0.00 H ATOM 525 HB ILE A 32 12.555 11.658 6.374 1.00 0.00 H ATOM 526 1HG1 ILE A 32 11.826 8.757 6.812 1.00 0.00 H ATOM 527 2HG1 ILE A 32 13.479 9.345 6.739 1.00 0.00 H ATOM 528 1HG2 ILE A 32 10.291 11.254 7.253 1.00 0.00 H ATOM 529 2HG2 ILE A 32 10.229 11.868 5.584 1.00 0.00 H ATOM 530 3HG2 ILE A 32 9.963 10.138 5.906 1.00 0.00 H ATOM 531 1HD1 ILE A 32 12.729 9.118 9.041 1.00 0.00 H ATOM 532 2HD1 ILE A 32 13.050 10.826 8.652 1.00 0.00 H ATOM 533 3HD1 ILE A 32 11.375 10.229 8.727 1.00 0.00 H ATOM 534 N LYS A 33 12.329 12.655 3.610 1.00 0.00 N ATOM 535 CA LYS A 33 11.872 13.703 2.706 1.00 0.00 C ATOM 536 C LYS A 33 11.932 13.245 1.255 1.00 0.00 C ATOM 537 O LYS A 33 11.011 13.495 0.477 1.00 0.00 O ATOM 538 CB LYS A 33 12.705 14.972 2.892 1.00 0.00 C ATOM 539 CG LYS A 33 12.254 16.151 2.040 1.00 0.00 C ATOM 540 CD LYS A 33 13.065 17.400 2.353 1.00 0.00 C ATOM 541 CE LYS A 33 12.642 18.569 1.476 1.00 0.00 C ATOM 542 NZ LYS A 33 13.424 19.800 1.773 1.00 0.00 N ATOM 543 H LYS A 33 13.134 12.826 4.196 1.00 0.00 H ATOM 544 HA LYS A 33 10.838 13.946 2.954 1.00 0.00 H ATOM 545 1HB LYS A 33 12.670 15.281 3.937 1.00 0.00 H ATOM 546 2HB LYS A 33 13.747 14.762 2.648 1.00 0.00 H ATOM 547 1HG LYS A 33 12.374 15.905 0.985 1.00 0.00 H ATOM 548 2HG LYS A 33 11.201 16.355 2.230 1.00 0.00 H ATOM 549 1HD LYS A 33 12.925 17.673 3.400 1.00 0.00 H ATOM 550 2HD LYS A 33 14.123 17.198 2.186 1.00 0.00 H ATOM 551 1HE LYS A 33 12.784 18.308 0.428 1.00 0.00 H ATOM 552 2HE LYS A 33 11.584 18.779 1.634 1.00 0.00 H ATOM 553 1HZ LYS A 33 13.113 20.550 1.172 1.00 0.00 H ATOM 554 2HZ LYS A 33 13.284 20.063 2.739 1.00 0.00 H ATOM 555 3HZ LYS A 33 14.405 19.624 1.611 1.00 0.00 H ATOM 556 N ARG A 34 13.020 12.573 0.896 1.00 0.00 N ATOM 557 CA ARG A 34 13.193 12.061 -0.458 1.00 0.00 C ATOM 558 C ARG A 34 12.197 10.947 -0.756 1.00 0.00 C ATOM 559 O ARG A 34 11.710 10.821 -1.879 1.00 0.00 O ATOM 560 CB ARG A 34 14.608 11.539 -0.656 1.00 0.00 C ATOM 561 CG ARG A 34 15.695 12.601 -0.605 1.00 0.00 C ATOM 562 CD ARG A 34 15.563 13.575 -1.719 1.00 0.00 C ATOM 563 NE ARG A 34 16.715 14.458 -1.806 1.00 0.00 N ATOM 564 CZ ARG A 34 16.802 15.523 -2.626 1.00 0.00 C ATOM 565 NH1 ARG A 34 15.799 15.824 -3.421 1.00 0.00 N ATOM 566 NH2 ARG A 34 17.895 16.266 -2.631 1.00 0.00 N ATOM 567 H ARG A 34 13.748 12.415 1.579 1.00 0.00 H ATOM 568 HA ARG A 34 13.025 12.877 -1.162 1.00 0.00 H ATOM 569 1HB ARG A 34 14.834 10.799 0.111 1.00 0.00 H ATOM 570 2HB ARG A 34 14.679 11.039 -1.622 1.00 0.00 H ATOM 571 1HG ARG A 34 15.627 13.145 0.337 1.00 0.00 H ATOM 572 2HG ARG A 34 16.673 12.124 -0.680 1.00 0.00 H ATOM 573 1HD ARG A 34 15.472 13.038 -2.663 1.00 0.00 H ATOM 574 2HD ARG A 34 14.675 14.187 -1.563 1.00 0.00 H ATOM 575 HE ARG A 34 17.506 14.258 -1.209 1.00 0.00 H ATOM 576 1HH1 ARG A 34 14.963 15.257 -3.418 1.00 0.00 H ATOM 577 2HH1 ARG A 34 15.864 16.623 -4.036 1.00 0.00 H ATOM 578 1HH2 ARG A 34 18.666 16.035 -2.020 1.00 0.00 H ATOM 579 2HH2 ARG A 34 17.960 17.064 -3.246 1.00 0.00 H ATOM 580 N LEU A 35 11.899 10.140 0.257 1.00 0.00 N ATOM 581 CA LEU A 35 10.895 9.092 0.131 1.00 0.00 C ATOM 582 C LEU A 35 9.535 9.672 -0.235 1.00 0.00 C ATOM 583 O LEU A 35 8.822 9.127 -1.078 1.00 0.00 O ATOM 584 CB LEU A 35 10.785 8.303 1.442 1.00 0.00 C ATOM 585 CG LEU A 35 9.693 7.226 1.481 1.00 0.00 C ATOM 586 CD1 LEU A 35 9.969 6.183 0.407 1.00 0.00 C ATOM 587 CD2 LEU A 35 9.655 6.591 2.863 1.00 0.00 C ATOM 588 H LEU A 35 12.381 10.256 1.137 1.00 0.00 H ATOM 589 HA LEU A 35 11.206 8.407 -0.659 1.00 0.00 H ATOM 590 1HB LEU A 35 11.739 7.814 1.634 1.00 0.00 H ATOM 591 2HB LEU A 35 10.590 9.003 2.254 1.00 0.00 H ATOM 592 HG LEU A 35 8.726 7.681 1.264 1.00 0.00 H ATOM 593 1HD1 LEU A 35 9.192 5.418 0.435 1.00 0.00 H ATOM 594 2HD1 LEU A 35 9.971 6.661 -0.573 1.00 0.00 H ATOM 595 3HD1 LEU A 35 10.939 5.722 0.589 1.00 0.00 H ATOM 596 1HD2 LEU A 35 8.878 5.827 2.891 1.00 0.00 H ATOM 597 2HD2 LEU A 35 10.621 6.135 3.081 1.00 0.00 H ATOM 598 3HD2 LEU A 35 9.439 7.356 3.609 1.00 0.00 H ATOM 599 N ILE A 36 9.180 10.782 0.404 1.00 0.00 N ATOM 600 CA ILE A 36 7.926 11.467 0.112 1.00 0.00 C ATOM 601 C ILE A 36 7.868 11.909 -1.345 1.00 0.00 C ATOM 602 O ILE A 36 6.860 11.711 -2.023 1.00 0.00 O ATOM 603 CB ILE A 36 7.742 12.691 1.028 1.00 0.00 C ATOM 604 CG1 ILE A 36 7.523 12.245 2.476 1.00 0.00 C ATOM 605 CG2 ILE A 36 6.577 13.544 0.548 1.00 0.00 C ATOM 606 CD1 ILE A 36 7.650 13.364 3.485 1.00 0.00 C ATOM 607 H ILE A 36 9.794 11.161 1.111 1.00 0.00 H ATOM 608 HA ILE A 36 7.103 10.778 0.301 1.00 0.00 H ATOM 609 HB ILE A 36 8.650 13.293 1.018 1.00 0.00 H ATOM 610 1HG1 ILE A 36 6.530 11.807 2.576 1.00 0.00 H ATOM 611 2HG1 ILE A 36 8.247 11.472 2.733 1.00 0.00 H ATOM 612 1HG2 ILE A 36 6.461 14.404 1.207 1.00 0.00 H ATOM 613 2HG2 ILE A 36 6.773 13.888 -0.466 1.00 0.00 H ATOM 614 3HG2 ILE A 36 5.663 12.951 0.560 1.00 0.00 H ATOM 615 1HD1 ILE A 36 7.482 12.971 4.488 1.00 0.00 H ATOM 616 2HD1 ILE A 36 8.650 13.795 3.427 1.00 0.00 H ATOM 617 3HD1 ILE A 36 6.910 14.134 3.270 1.00 0.00 H ATOM 618 N GLU A 37 8.954 12.508 -1.821 1.00 0.00 N ATOM 619 CA GLU A 37 9.031 12.971 -3.200 1.00 0.00 C ATOM 620 C GLU A 37 8.823 11.823 -4.181 1.00 0.00 C ATOM 621 O GLU A 37 8.095 11.958 -5.164 1.00 0.00 O ATOM 622 CB GLU A 37 10.381 13.642 -3.463 1.00 0.00 C ATOM 623 CG GLU A 37 10.570 14.974 -2.751 1.00 0.00 C ATOM 624 CD GLU A 37 11.928 15.575 -2.986 1.00 0.00 C ATOM 625 OE1 GLU A 37 12.759 14.913 -3.561 1.00 0.00 O ATOM 626 OE2 GLU A 37 12.135 16.698 -2.590 1.00 0.00 O ATOM 627 H GLU A 37 9.747 12.644 -1.211 1.00 0.00 H ATOM 628 HA GLU A 37 8.247 13.713 -3.361 1.00 0.00 H ATOM 629 1HB GLU A 37 11.185 12.977 -3.148 1.00 0.00 H ATOM 630 2HB GLU A 37 10.499 13.815 -4.533 1.00 0.00 H ATOM 631 1HG GLU A 37 9.811 15.672 -3.101 1.00 0.00 H ATOM 632 2HG GLU A 37 10.424 14.826 -1.682 1.00 0.00 H ATOM 633 N GLU A 38 9.468 10.694 -3.906 1.00 0.00 N ATOM 634 CA GLU A 38 9.355 9.520 -4.762 1.00 0.00 C ATOM 635 C GLU A 38 7.935 8.966 -4.752 1.00 0.00 C ATOM 636 O GLU A 38 7.385 8.624 -5.799 1.00 0.00 O ATOM 637 CB GLU A 38 10.339 8.437 -4.314 1.00 0.00 C ATOM 638 CG GLU A 38 11.801 8.764 -4.585 1.00 0.00 C ATOM 639 CD GLU A 38 12.743 7.723 -4.048 1.00 0.00 C ATOM 640 OE1 GLU A 38 12.278 6.763 -3.484 1.00 0.00 O ATOM 641 OE2 GLU A 38 13.930 7.889 -4.203 1.00 0.00 O ATOM 642 H GLU A 38 10.051 10.648 -3.083 1.00 0.00 H ATOM 643 HA GLU A 38 9.610 9.810 -5.782 1.00 0.00 H ATOM 644 1HB GLU A 38 10.228 8.265 -3.243 1.00 0.00 H ATOM 645 2HB GLU A 38 10.106 7.501 -4.822 1.00 0.00 H ATOM 646 1HG GLU A 38 11.949 8.852 -5.661 1.00 0.00 H ATOM 647 2HG GLU A 38 12.036 9.728 -4.135 1.00 0.00 H ATOM 648 N LEU A 39 7.348 8.879 -3.564 1.00 0.00 N ATOM 649 CA LEU A 39 6.014 8.311 -3.408 1.00 0.00 C ATOM 650 C LEU A 39 4.966 9.164 -4.110 1.00 0.00 C ATOM 651 O LEU A 39 4.018 8.643 -4.696 1.00 0.00 O ATOM 652 CB LEU A 39 5.664 8.182 -1.920 1.00 0.00 C ATOM 653 CG LEU A 39 6.450 7.119 -1.142 1.00 0.00 C ATOM 654 CD1 LEU A 39 6.193 7.288 0.350 1.00 0.00 C ATOM 655 CD2 LEU A 39 6.037 5.734 -1.615 1.00 0.00 C ATOM 656 H LEU A 39 7.837 9.216 -2.747 1.00 0.00 H ATOM 657 HA LEU A 39 6.009 7.315 -3.853 1.00 0.00 H ATOM 658 1HB LEU A 39 5.838 9.142 -1.438 1.00 0.00 H ATOM 659 2HB LEU A 39 4.605 7.941 -1.832 1.00 0.00 H ATOM 660 HG LEU A 39 7.518 7.258 -1.314 1.00 0.00 H ATOM 661 1HD1 LEU A 39 6.751 6.533 0.903 1.00 0.00 H ATOM 662 2HD1 LEU A 39 6.516 8.280 0.665 1.00 0.00 H ATOM 663 3HD1 LEU A 39 5.128 7.171 0.550 1.00 0.00 H ATOM 664 1HD2 LEU A 39 6.596 4.978 -1.062 1.00 0.00 H ATOM 665 2HD2 LEU A 39 4.969 5.594 -1.442 1.00 0.00 H ATOM 666 3HD2 LEU A 39 6.248 5.635 -2.680 1.00 0.00 H ATOM 667 N GLU A 40 5.143 10.480 -4.046 1.00 0.00 N ATOM 668 CA GLU A 40 4.235 11.408 -4.711 1.00 0.00 C ATOM 669 C GLU A 40 4.190 11.154 -6.212 1.00 0.00 C ATOM 670 O GLU A 40 3.137 11.264 -6.839 1.00 0.00 O ATOM 671 CB GLU A 40 4.658 12.853 -4.442 1.00 0.00 C ATOM 672 CG GLU A 40 4.308 13.362 -3.050 1.00 0.00 C ATOM 673 CD GLU A 40 4.812 14.755 -2.793 1.00 0.00 C ATOM 674 OE1 GLU A 40 5.602 15.234 -3.571 1.00 0.00 O ATOM 675 OE2 GLU A 40 4.405 15.341 -1.817 1.00 0.00 O ATOM 676 H GLU A 40 5.926 10.847 -3.525 1.00 0.00 H ATOM 677 HA GLU A 40 3.234 11.265 -4.302 1.00 0.00 H ATOM 678 1HB GLU A 40 5.737 12.947 -4.571 1.00 0.00 H ATOM 679 2HB GLU A 40 4.183 13.513 -5.168 1.00 0.00 H ATOM 680 1HG GLU A 40 3.225 13.352 -2.933 1.00 0.00 H ATOM 681 2HG GLU A 40 4.733 12.685 -2.310 1.00 0.00 H ATOM 682 N ARG A 41 5.339 10.813 -6.785 1.00 0.00 N ATOM 683 CA ARG A 41 5.427 10.511 -8.209 1.00 0.00 C ATOM 684 C ARG A 41 4.862 9.131 -8.515 1.00 0.00 C ATOM 685 O ARG A 41 4.240 8.921 -9.557 1.00 0.00 O ATOM 686 CB ARG A 41 6.871 10.581 -8.684 1.00 0.00 C ATOM 687 CG ARG A 41 7.454 11.984 -8.754 1.00 0.00 C ATOM 688 CD ARG A 41 8.729 12.011 -9.514 1.00 0.00 C ATOM 689 NE ARG A 41 9.795 11.316 -8.811 1.00 0.00 N ATOM 690 CZ ARG A 41 10.606 11.883 -7.897 1.00 0.00 C ATOM 691 NH1 ARG A 41 10.460 13.153 -7.587 1.00 0.00 N ATOM 692 NH2 ARG A 41 11.548 11.164 -7.311 1.00 0.00 N ATOM 693 H ARG A 41 6.174 10.761 -6.219 1.00 0.00 H ATOM 694 HA ARG A 41 4.848 11.256 -8.756 1.00 0.00 H ATOM 695 1HB ARG A 41 7.502 9.995 -8.017 1.00 0.00 H ATOM 696 2HB ARG A 41 6.949 10.142 -9.678 1.00 0.00 H ATOM 697 1HG ARG A 41 6.745 12.648 -9.249 1.00 0.00 H ATOM 698 2HG ARG A 41 7.649 12.348 -7.744 1.00 0.00 H ATOM 699 1HD ARG A 41 8.587 11.528 -10.481 1.00 0.00 H ATOM 700 2HD ARG A 41 9.040 13.044 -9.668 1.00 0.00 H ATOM 701 HE ARG A 41 9.938 10.337 -9.023 1.00 0.00 H ATOM 702 1HH1 ARG A 41 9.740 13.702 -8.034 1.00 0.00 H ATOM 703 2HH1 ARG A 41 11.068 13.578 -6.902 1.00 0.00 H ATOM 704 1HH2 ARG A 41 11.660 10.188 -7.549 1.00 0.00 H ATOM 705 2HH2 ARG A 41 12.155 11.589 -6.627 1.00 0.00 H ATOM 706 N LEU A 42 5.081 8.191 -7.602 1.00 0.00 N ATOM 707 CA LEU A 42 4.658 6.811 -7.806 1.00 0.00 C ATOM 708 C LEU A 42 3.149 6.669 -7.656 1.00 0.00 C ATOM 709 O LEU A 42 2.513 5.902 -8.378 1.00 0.00 O ATOM 710 CB LEU A 42 5.366 5.886 -6.807 1.00 0.00 C ATOM 711 CG LEU A 42 6.876 5.716 -7.014 1.00 0.00 C ATOM 712 CD1 LEU A 42 7.490 5.074 -5.777 1.00 0.00 C ATOM 713 CD2 LEU A 42 7.127 4.868 -8.252 1.00 0.00 C ATOM 714 H LEU A 42 5.552 8.439 -6.744 1.00 0.00 H ATOM 715 HA LEU A 42 4.939 6.508 -8.815 1.00 0.00 H ATOM 716 1HB LEU A 42 5.211 6.277 -5.803 1.00 0.00 H ATOM 717 2HB LEU A 42 4.910 4.898 -6.865 1.00 0.00 H ATOM 718 HG LEU A 42 7.338 6.695 -7.145 1.00 0.00 H ATOM 719 1HD1 LEU A 42 8.563 4.953 -5.924 1.00 0.00 H ATOM 720 2HD1 LEU A 42 7.312 5.711 -4.911 1.00 0.00 H ATOM 721 3HD1 LEU A 42 7.035 4.098 -5.611 1.00 0.00 H ATOM 722 1HD2 LEU A 42 8.201 4.748 -8.400 1.00 0.00 H ATOM 723 2HD2 LEU A 42 6.667 3.888 -8.121 1.00 0.00 H ATOM 724 3HD2 LEU A 42 6.694 5.359 -9.124 1.00 0.00 H ATOM 725 N ILE A 43 2.581 7.413 -6.714 1.00 0.00 N ATOM 726 CA ILE A 43 1.161 7.303 -6.402 1.00 0.00 C ATOM 727 C ILE A 43 0.317 8.096 -7.392 1.00 0.00 C ATOM 728 O ILE A 43 0.762 9.109 -7.931 1.00 0.00 O ATOM 729 OXT ILE A 43 -0.797 7.735 -7.655 1.00 0.00 O ATOM 730 CB ILE A 43 0.873 7.795 -4.972 1.00 0.00 C ATOM 731 CG1 ILE A 43 1.578 6.902 -3.948 1.00 0.00 C ATOM 732 CG2 ILE A 43 -0.625 7.827 -4.712 1.00 0.00 C ATOM 733 CD1 ILE A 43 1.666 7.508 -2.566 1.00 0.00 C ATOM 734 H ILE A 43 3.147 8.074 -6.199 1.00 0.00 H ATOM 735 HA ILE A 43 0.874 6.253 -6.461 1.00 0.00 H ATOM 736 HB ILE A 43 1.276 8.799 -4.845 1.00 0.00 H ATOM 737 1HG1 ILE A 43 1.052 5.951 -3.871 1.00 0.00 H ATOM 738 2HG1 ILE A 43 2.591 6.687 -4.290 1.00 0.00 H ATOM 739 1HG2 ILE A 43 -0.811 8.176 -3.697 1.00 0.00 H ATOM 740 2HG2 ILE A 43 -1.103 8.503 -5.421 1.00 0.00 H ATOM 741 3HG2 ILE A 43 -1.037 6.825 -4.832 1.00 0.00 H ATOM 742 1HD1 ILE A 43 2.178 6.817 -1.897 1.00 0.00 H ATOM 743 2HD1 ILE A 43 2.221 8.446 -2.614 1.00 0.00 H ATOM 744 3HD1 ILE A 43 0.662 7.699 -2.189 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE start00_0192_0002.pdb label fa_atr fa_rep fa_sol fa_intra_atr_xover4 fa_intra_rep_xover4 fa_intra_sol_xover4 lk_ball lk_ball_iso lk_ball_bridge lk_ball_bridge_uncpl fa_elec fa_intra_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun_dev fa_dun_rot fa_dun_semi p_aa_pp hxl_tors ref rama_prepro gen_bonded total weights 1 0.55 1 1 0.55 1 0.92 -0.38 -0.33 -0.33 1 1 1.25 1 1 1 1 1.25 0.48 0.69 0.76 0.78 0.61 1 1 0.5 1 NA pose -236.957 23.0031 196.259 -18.2714 10.1663 14.2724 99.3113 -104.78 -0.42046 -2.58016 -79.6457 -16.4463 0 -28.6023 -5.52168 -2.94694 -8.17501 0 1.30995 3.87658 23.5404 42.2726 -10.6976 2.88921 -28.831 1.27692 0 -125.698 SER:NtermProteinFull_1 -3.05069 0.18483 4.8009 -0.02172 0 0.0314 2.95737 -2.08013 -0.06896 -0.29051 -3.17503 -1.78128 0 0 0 -0.71963 0 0 0.27212 0.00252 0.80724 0 0 0.60239 -0.77834 0 0 -2.3075 LEU_2 -6.77535 0.84447 3.38531 -0.50185 0.41521 0.11653 1.94416 -2.18495 -0 -0 -2.05355 0.26468 0 0 0 0 0 0 0.06877 0.24454 0.33426 0 -0.28293 0 0.18072 -0.01514 0 -4.01515 GLU_3 -5.17176 0.21841 6.32448 -0.46538 0.23174 1.45736 2.14156 -2.81414 -0.09795 -0.45404 -2.11273 -2.73172 0 0 0 0 0 0 0.08071 0.0522 0 3.94758 -0.20885 0 -2.7348 -0.16808 0 -2.50541 GLU_4 -5.0183 0.28884 7.26398 -0.45507 0.16938 1.40678 3.31194 -3.1954 -0.0574 -0.32685 -2.70239 -2.62094 0 0 0 -0.71963 0 0 0.10409 0.01386 0 3.98427 -0.24303 0 -2.7348 -0.34352 0 -1.87419 LEU_5 -6.63986 0.42308 3.92845 -0.50424 0.46879 0.12186 2.50904 -2.64188 -0.02841 -0.16331 -1.91915 0.24783 0 0 0 0 0 0 -0.0079 0.12524 0.28616 0 -0.29024 0 0.18072 -0.20178 0 -4.10562 LEU_6 -8.67165 1.32841 4.9316 -0.70147 0.50384 0.25654 3.27528 -3.14367 -0 -0 -2.20499 0.17412 0 0 0 0 0 0 0.09531 0.07639 0.83479 0 -0.2228 0 0.18072 0.1264 0 -3.16119 LYS_7 -4.4434 0.12244 4.9822 -0.30637 0.02886 0.13693 2.16651 -2.30241 -0 -0 -1.99548 0.00425 0 0 0 0 0 0 0.02931 0.0065 1.73409 0 0.00974 0 -1.5107 0.06172 0 -1.2758 LEU_8 -5.61995 0.30942 4.55938 -0.49765 0.42437 0.11735 2.64016 -2.59198 -0 -0 -2.36966 0.23481 0 0 0 0 0 0 -0.04177 0.14509 0.41238 0 -0.26206 0 0.18072 -0.08161 0 -2.44099 ALA_9 -6.58335 0.89132 3.12938 -0.02165 0 0 3.04505 -2.82534 -0 -0 -2.05507 -0.35075 0 0 0 0 0 0 0.0781 0 0 0 -0.12989 0 1.8394 -0.01581 0 -2.9986 ARG_10 -6.95692 0.44472 6.5287 -0.64851 0.24243 0.35662 3.1536 -3.17587 -0.00026 -0.00088 -3.238 0.24795 0 0 0 0 -0.60752 0 0.45617 0.35619 2.52739 0 -0.05539 0 -1.2888 -0.0138 0 -1.6722 HIS_11 -6.24828 0.42107 7.05311 -0.74614 0.04441 0.77011 3.21028 -3.37256 -0.00517 -0.07852 -3.17774 -0.33813 0 0 0 0 -0.54039 0 0.09136 0.39124 0 1.80978 -0.28938 0 -0.45461 0.46145 0 -0.99813 ALA_12 -6.47712 0.47695 4.27016 -0.02145 0 0 3.4636 -3.14056 -0 -0 -3.11233 -0.35407 0 0 0 0 0 0 -0.03205 0 0 0 -0.21482 0 1.8394 0.48181 0 -2.82048 LEU_13 -6.08577 0.67194 3.47316 -0.6962 0.60546 0.25184 1.8604 -2.29021 -0 -0 -0.67942 0.17212 0 0 0 0 0 0 -0.03467 0.17355 0.86206 0 -0.23252 0 0.18072 0.10486 0 -1.66268 ARG_14 -4.00314 0.10637 4.625 -0.77676 0.14797 0.53368 2.27621 -2.12552 -0.00254 -0.04748 -1.78082 0.33023 0 0 0 0 -0.7952 0 0.09993 0.057 2.88692 0 -0.08958 0 -1.2888 0.04295 0 0.19644 HIS_D_15 -5.57719 0.39933 5.32768 -0.38991 0.00795 0.48793 1.97002 -2.48311 -0.00015 -0.00067 -1.68836 -0.38689 0 0 0 0 -0.7952 0 0.01729 0.07036 0 1.9998 -0.22407 0 -0.45461 -0.23143 0 -1.95121 GLY_16 -2.13943 0.13493 2.71158 -5e-05 0 0 1.56305 -1.32235 -0 -0 -0.66269 -0.4009 0 0 0 0 0 0 -0.14162 0 0 0 -1.26163 0 0.83697 -0.38778 0 -1.06994 GLU_17 -4.32984 0.38314 4.63724 -0.19674 0.03616 0.28197 1.7958 -2.13321 -0.0028 -0.03229 -1.72305 -0.38075 0 0 0 0 -0.54039 0 0.01667 0.00301 0 2.5187 0.18932 0 -2.7348 0.35936 0 -1.8525 GLU_18 -4.00811 0.26632 2.91386 -0.20929 0.04658 0.31623 1.21032 -1.43537 -0.00614 -0.01929 -1.59484 -0.44477 0 0 0 0 -0.87522 0 0.08116 0.06442 0 3.00484 -0.00435 0 -2.7348 0.46667 0 -2.96178 ILE_19 -7.10339 1.35951 2.00461 -0.49364 0.67566 0.10588 2.3318 -2.0266 -0 -0 -1.60947 0.10979 0 0 0 0 0 0 0.00857 0.16934 0.41076 0 -0.71535 0 0.73287 -0.40152 0 -4.44117 HIS_20 -4.29048 0.32062 2.42005 -0.42885 0.03509 0.46078 0.97313 -1.59947 -0.00612 -0.01872 -1.25791 -0.31417 0 0 0 0 -0.87522 0 -0.02874 0.12942 0 2.44115 -0.42964 0 -0.45461 -0.00543 0 -2.92908 VAL_21 -4.12899 0.55054 2.2839 -0.27555 0.20229 0.06158 1.95514 -1.64955 -0.01443 -0.12485 -1.55452 -0.36257 0 0 0 0 0 0 -0.07203 0.01921 0.22049 0 -0.66068 0 1.9342 0.22057 0 -1.39524 LEU_22 -2.09821 0.45576 1.57301 -0.45963 0.4129 0.07348 0.64424 -0.84698 -0 -0 0.24512 0.19347 0 0 0 0 0 0 -0.1329 0.09862 0.0284 0 0.99937 0 0.18072 1.26809 0 2.63546 ASP_23 -2.83245 0.34861 4.38697 -0.26678 0.05624 0.92855 1.13942 -1.76339 -0.01443 -0.12485 -1.31206 -2.48564 0 0 0 -0.36677 0 0 -0.00375 0.2161 0 2.46518 -0.33626 0 -2.3716 1.28896 0 -1.04794 ARG_24 -3.93704 0.26973 5.90783 -0.99081 0.43945 0.73125 2.66966 -2.53763 -0 -0 -2.99079 0.03548 0 0 0 -0.36677 0 0 -0.03312 0.01017 1.77633 0 -0.05218 0 -1.2888 -0.11506 0 -0.47231 VAL_25 -3.94235 0.56378 1.22506 -0.27162 0.19843 0.057 0.59219 -1.27884 -0.00457 -0.0167 -0.43117 -0.26285 0 0 0 0 0 0 -0.07376 0.00238 0.30477 0 -0.78105 0 1.9342 -0.26539 0 -2.45048 ILE_26 -6.82146 0.72564 3.03247 -0.48632 0.57463 0.10769 2.37997 -2.07751 -0 -0 -1.79259 -0.00399 0 0 0 0 0 0 -0.04632 0.06642 0.33597 0 -0.7595 0 0.73287 -0.44275 0 -4.47476 THR_27 -2.66675 0.22022 1.49255 -0.11343 0.05906 0.06357 0.22724 -0.95935 -0.00508 -0.02442 0.1605 -1.26341 0 0 0 0 0 0 -0.06172 0.02262 0.16528 0 -0.63683 2.28681 -1.0874 -0.365 0 -2.48554 ASP_28 -4.75 0.38489 6.35237 -0.20206 0.08457 0.64349 3.13643 -2.80107 -0.00051 -0.00772 -2.63313 -1.53828 0 0 0 -0.38708 0 0 -0.06265 0.00617 0 2.56058 -0.31498 0 -2.3716 -0.2603 0 -2.16089 GLU_29 -3.83071 0.28337 3.89907 -0.21848 0.02697 0.30447 2.1024 -1.96468 -0 -0 -1.10224 -0.60347 0 0 0 0 0 0 -0.01421 0.01374 0 3.07691 -0.32956 0 -2.7348 -0.30076 0 -1.39199 HIS_D_30 -5.12735 0.50698 6.33424 -0.68128 0.0135 0.70253 2.49391 -2.76441 -0 -0 -3.40913 -0.29736 0 0 0 -0.38708 -0.57335 0 0.05785 0.04829 0 1.72368 -0.14516 0 -0.45461 0.0662 0 -1.89255 GLU_31 -5.92937 0.30601 6.21904 -0.34106 0.06424 0.41091 2.43314 -2.83655 -0 -0 -2.08958 -0.63418 0 0 0 0 0 0 0.00529 0.02475 0 3.47855 -0.27868 0 -2.7348 0.0586 0 -1.8437 ILE_32 -10.1837 1.77107 4.02891 -0.5143 0.66674 0.10026 3.3778 -3.38363 -0 -0 -1.73137 0.11386 0 0 0 0 0 0 0.13862 0.06935 0.56522 0 -0.43112 0 0.73287 0.01001 0 -4.6694 LYS_33 -5.83049 0.38592 5.34963 -0.42343 0.05972 0.23598 2.55365 -2.64375 -0 -0 -1.57838 -0.12983 0 0 0 0 0 0 0.02508 0.00968 2.12483 0 0.01987 0 -1.5107 0.14528 0 -1.20694 ARG_34 -6.8747 0.41993 8.23501 -0.69938 0.36085 0.3768 3.49424 -3.54827 -0.02034 -0.15819 -3.76724 0.45242 0 0 0 0 -1.26917 0 0.29981 0.0878 2.53301 0 -0.14573 0 -1.2888 -0.17414 0 -1.6861 LEU_35 -7.3247 0.90743 4.85766 -0.71805 0.44114 0.29449 2.97569 -2.89966 -0.01125 -0.12122 -2.56827 0.13366 0 0 0 0 0 0 0.0933 0.12594 0.98499 0 -0.23836 0 0.18072 -0.00494 0 -2.89142 ILE_36 -9.41518 1.25869 5.34165 -0.5131 0.60694 0.10051 3.12446 -3.42841 -0 -0 -1.69568 0.13248 0 0 0 0 0 0 -0.03065 0.02151 0.5382 0 -0.39549 0 0.73287 0.42447 0 -3.19673 GLU_37 -6.03336 0.2183 7.67522 -0.21363 0.03056 0.29617 2.80139 -3.31839 -0.04139 -0.30287 -2.69529 -0.57974 0 0 0 0 -0.69582 0 -0.00908 0.01178 0 3.06915 -0.12078 0 -2.7348 0.28168 0 -2.3609 GLU_38 -5.97688 0.43618 6.72645 -0.21299 0.02911 0.29872 2.76974 -3.10738 -0.01125 -0.12122 -2.0863 -0.59914 0 0 0 0 0 0 -0.03021 0.005 0 3.14686 -0.13623 0 -2.7348 -0.07302 0 -1.67736 LEU_39 -10.3257 1.75882 4.34551 -0.50541 0.5049 0.12208 3.38442 -3.27673 -0 -0 -2.22751 0.24618 0 0 0 0 0 0 0.08627 0.09182 0.30688 0 -0.29688 0 0.18072 -0.09871 0 -5.70338 GLU_40 -5.18472 0.31395 6.33886 -0.21541 0.02474 0.29715 2.48723 -2.82839 -0.02131 -0.14556 -1.64685 -0.57993 0 0 0 0 -0.60752 0 0.03034 0.24244 0 3.04557 -0.28733 0 -2.7348 -0.22014 0 -1.69169 ARG_41 -4.35857 0.24417 5.29673 -0.78772 0.19103 0.52416 1.60215 -2.3854 -0 -0 -0.59931 0.35969 0 0 0 0 0 0 -0.04565 0.0791 1.75099 0 -0.14145 0 -1.2888 -0.25212 0 0.18901 LEU_42 -4.51106 0.36234 2.79101 -0.49436 0.36395 0.11926 1.50393 -1.6455 -0 -0 -0.54091 0.20224 0 0 0 0 0 0 -0.02337 0.32355 0.38265 0 -0.27115 0 0.18072 -0.11546 0 -1.37216 ILE:CtermProteinFull_43 -5.6793 0.71466 3.29495 -0.58368 0.67048 0.21248 1.66359 -1.95009 -0 -0 -0.48631 -0.65677 0 0 0 0 0 0 0 0.19925 0.42634 0 0 0 0.73287 -0.03846 0 -1.47997 #END_POSE_ENERGIES_TABLE start00_0192_0002.pdb score_per_res -2.92321 total_score -125.698
HEEH_KT_rd6_3546.pdb
ATOM 1 N SER A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA SER A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C SER A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O SER A 1 1.688 2.221 -0.878 1.00 0.00 O ATOM 5 CB SER A 1 1.980 -0.754 -1.207 1.00 0.00 C ATOM 6 OG SER A 1 1.627 -2.109 -1.144 1.00 0.00 O ATOM 7 1H SER A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 8 2H SER A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 9 3H SER A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 10 HA SER A 1 1.804 -0.509 0.900 1.00 0.00 H ATOM 11 1HB SER A 1 1.574 -0.312 -2.116 1.00 0.00 H ATOM 12 2HB SER A 1 3.064 -0.660 -1.254 1.00 0.00 H ATOM 13 HG SER A 1 1.950 -2.505 -1.957 1.00 0.00 H ATOM 14 N GLU A 2 2.841 1.727 0.990 1.00 0.00 N ATOM 15 CA GLU A 2 3.419 3.059 1.119 1.00 0.00 C ATOM 16 C GLU A 2 4.325 3.383 -0.062 1.00 0.00 C ATOM 17 O GLU A 2 4.361 4.519 -0.536 1.00 0.00 O ATOM 18 CB GLU A 2 4.208 3.174 2.425 1.00 0.00 C ATOM 19 CG GLU A 2 3.361 3.054 3.684 1.00 0.00 C ATOM 20 CD GLU A 2 3.010 1.631 4.019 1.00 0.00 C ATOM 21 OE1 GLU A 2 3.431 0.752 3.307 1.00 0.00 O ATOM 22 OE2 GLU A 2 2.320 1.424 4.990 1.00 0.00 O ATOM 23 H GLU A 2 3.077 1.019 1.670 1.00 0.00 H ATOM 24 HA GLU A 2 2.608 3.787 1.148 1.00 0.00 H ATOM 25 1HB GLU A 2 4.971 2.396 2.460 1.00 0.00 H ATOM 26 2HB GLU A 2 4.721 4.136 2.457 1.00 0.00 H ATOM 27 1HG GLU A 2 3.909 3.488 4.521 1.00 0.00 H ATOM 28 2HG GLU A 2 2.445 3.628 3.549 1.00 0.00 H ATOM 29 N GLU A 3 5.056 2.379 -0.534 1.00 0.00 N ATOM 30 CA GLU A 3 5.997 2.566 -1.631 1.00 0.00 C ATOM 31 C GLU A 3 5.280 2.996 -2.905 1.00 0.00 C ATOM 32 O GLU A 3 5.804 3.794 -3.684 1.00 0.00 O ATOM 33 CB GLU A 3 6.782 1.277 -1.886 1.00 0.00 C ATOM 34 CG GLU A 3 7.764 0.911 -0.782 1.00 0.00 C ATOM 35 CD GLU A 3 8.502 -0.370 -1.057 1.00 0.00 C ATOM 36 OE1 GLU A 3 8.176 -1.027 -2.016 1.00 0.00 O ATOM 37 OE2 GLU A 3 9.393 -0.692 -0.306 1.00 0.00 O ATOM 38 H GLU A 3 4.956 1.462 -0.122 1.00 0.00 H ATOM 39 HA GLU A 3 6.707 3.344 -1.349 1.00 0.00 H ATOM 40 1HB GLU A 3 6.088 0.446 -2.006 1.00 0.00 H ATOM 41 2HB GLU A 3 7.344 1.371 -2.815 1.00 0.00 H ATOM 42 1HG GLU A 3 8.488 1.717 -0.671 1.00 0.00 H ATOM 43 2HG GLU A 3 7.220 0.817 0.157 1.00 0.00 H ATOM 44 N ASP A 4 4.081 2.464 -3.111 1.00 0.00 N ATOM 45 CA ASP A 4 3.300 2.773 -4.302 1.00 0.00 C ATOM 46 C ASP A 4 2.752 4.194 -4.249 1.00 0.00 C ATOM 47 O ASP A 4 2.743 4.905 -5.253 1.00 0.00 O ATOM 48 CB ASP A 4 2.146 1.780 -4.460 1.00 0.00 C ATOM 49 CG ASP A 4 2.617 0.373 -4.801 1.00 0.00 C ATOM 50 OD1 ASP A 4 3.719 0.236 -5.279 1.00 0.00 O ATOM 51 OD2 ASP A 4 1.872 -0.551 -4.581 1.00 0.00 O ATOM 52 H ASP A 4 3.700 1.828 -2.424 1.00 0.00 H ATOM 53 HA ASP A 4 3.948 2.682 -5.175 1.00 0.00 H ATOM 54 1HB ASP A 4 1.571 1.741 -3.535 1.00 0.00 H ATOM 55 2HB ASP A 4 1.475 2.124 -5.248 1.00 0.00 H ATOM 56 N LYS A 5 2.296 4.602 -3.069 1.00 0.00 N ATOM 57 CA LYS A 5 1.806 5.960 -2.865 1.00 0.00 C ATOM 58 C LYS A 5 2.921 6.982 -3.054 1.00 0.00 C ATOM 59 O LYS A 5 2.712 8.041 -3.645 1.00 0.00 O ATOM 60 CB LYS A 5 1.191 6.104 -1.472 1.00 0.00 C ATOM 61 CG LYS A 5 -0.132 5.373 -1.290 1.00 0.00 C ATOM 62 CD LYS A 5 -0.672 5.550 0.121 1.00 0.00 C ATOM 63 CE LYS A 5 -2.003 4.833 0.299 1.00 0.00 C ATOM 64 NZ LYS A 5 -2.534 4.982 1.681 1.00 0.00 N ATOM 65 H LYS A 5 2.288 3.954 -2.294 1.00 0.00 H ATOM 66 HA LYS A 5 1.022 6.159 -3.597 1.00 0.00 H ATOM 67 1HB LYS A 5 1.889 5.723 -0.725 1.00 0.00 H ATOM 68 2HB LYS A 5 1.023 7.159 -1.256 1.00 0.00 H ATOM 69 1HG LYS A 5 -0.863 5.760 -2.001 1.00 0.00 H ATOM 70 2HG LYS A 5 0.009 4.310 -1.485 1.00 0.00 H ATOM 71 1HD LYS A 5 0.045 5.149 0.838 1.00 0.00 H ATOM 72 2HD LYS A 5 -0.812 6.611 0.327 1.00 0.00 H ATOM 73 1HE LYS A 5 -2.731 5.239 -0.402 1.00 0.00 H ATOM 74 2HE LYS A 5 -1.877 3.772 0.084 1.00 0.00 H ATOM 75 1HZ LYS A 5 -3.415 4.493 1.758 1.00 0.00 H ATOM 76 2HZ LYS A 5 -1.874 4.591 2.340 1.00 0.00 H ATOM 77 3HZ LYS A 5 -2.673 5.961 1.886 1.00 0.00 H ATOM 78 N GLU A 6 4.105 6.657 -2.546 1.00 0.00 N ATOM 79 CA GLU A 6 5.262 7.533 -2.681 1.00 0.00 C ATOM 80 C GLU A 6 5.685 7.668 -4.139 1.00 0.00 C ATOM 81 O GLU A 6 5.960 8.768 -4.616 1.00 0.00 O ATOM 82 CB GLU A 6 6.432 7.005 -1.848 1.00 0.00 C ATOM 83 CG GLU A 6 6.256 7.167 -0.345 1.00 0.00 C ATOM 84 CD GLU A 6 7.328 6.471 0.448 1.00 0.00 C ATOM 85 OE1 GLU A 6 8.057 5.699 -0.126 1.00 0.00 O ATOM 86 OE2 GLU A 6 7.417 6.713 1.629 1.00 0.00 O ATOM 87 H GLU A 6 4.207 5.781 -2.055 1.00 0.00 H ATOM 88 HA GLU A 6 4.995 8.520 -2.303 1.00 0.00 H ATOM 89 1HB GLU A 6 6.578 5.945 -2.056 1.00 0.00 H ATOM 90 2HB GLU A 6 7.347 7.524 -2.135 1.00 0.00 H ATOM 91 1HG GLU A 6 6.270 8.228 -0.099 1.00 0.00 H ATOM 92 2HG GLU A 6 5.283 6.769 -0.059 1.00 0.00 H ATOM 93 N ARG A 7 5.736 6.540 -4.840 1.00 0.00 N ATOM 94 CA ARG A 7 6.190 6.520 -6.225 1.00 0.00 C ATOM 95 C ARG A 7 5.395 7.496 -7.081 1.00 0.00 C ATOM 96 O ARG A 7 5.966 8.301 -7.817 1.00 0.00 O ATOM 97 CB ARG A 7 6.065 5.120 -6.809 1.00 0.00 C ATOM 98 CG ARG A 7 6.663 4.950 -8.197 1.00 0.00 C ATOM 99 CD ARG A 7 6.531 3.553 -8.684 1.00 0.00 C ATOM 100 NE ARG A 7 7.305 2.623 -7.879 1.00 0.00 N ATOM 101 CZ ARG A 7 6.774 1.713 -7.038 1.00 0.00 C ATOM 102 NH1 ARG A 7 5.470 1.625 -6.904 1.00 0.00 N ATOM 103 NH2 ARG A 7 7.566 0.910 -6.349 1.00 0.00 N ATOM 104 H ARG A 7 5.452 5.675 -4.404 1.00 0.00 H ATOM 105 HA ARG A 7 7.242 6.812 -6.249 1.00 0.00 H ATOM 106 1HB ARG A 7 6.556 4.406 -6.149 1.00 0.00 H ATOM 107 2HB ARG A 7 5.013 4.843 -6.867 1.00 0.00 H ATOM 108 1HG ARG A 7 6.148 5.608 -8.898 1.00 0.00 H ATOM 109 2HG ARG A 7 7.723 5.206 -8.171 1.00 0.00 H ATOM 110 1HD ARG A 7 5.485 3.251 -8.643 1.00 0.00 H ATOM 111 2HD ARG A 7 6.886 3.492 -9.712 1.00 0.00 H ATOM 112 HE ARG A 7 8.313 2.660 -7.956 1.00 0.00 H ATOM 113 1HH1 ARG A 7 4.865 2.239 -7.431 1.00 0.00 H ATOM 114 2HH1 ARG A 7 5.072 0.944 -6.274 1.00 0.00 H ATOM 115 1HH2 ARG A 7 8.569 0.978 -6.452 1.00 0.00 H ATOM 116 2HH2 ARG A 7 7.168 0.229 -5.719 1.00 0.00 H ATOM 117 N GLU A 8 4.071 7.419 -6.981 1.00 0.00 N ATOM 118 CA GLU A 8 3.193 8.272 -7.773 1.00 0.00 C ATOM 119 C GLU A 8 3.400 9.742 -7.435 1.00 0.00 C ATOM 120 O GLU A 8 3.380 10.601 -8.317 1.00 0.00 O ATOM 121 CB GLU A 8 1.729 7.887 -7.545 1.00 0.00 C ATOM 122 CG GLU A 8 1.326 6.556 -8.162 1.00 0.00 C ATOM 123 CD GLU A 8 -0.129 6.235 -7.962 1.00 0.00 C ATOM 124 OE1 GLU A 8 -0.780 6.946 -7.234 1.00 0.00 O ATOM 125 OE2 GLU A 8 -0.591 5.278 -8.537 1.00 0.00 O ATOM 126 H GLU A 8 3.665 6.754 -6.340 1.00 0.00 H ATOM 127 HA GLU A 8 3.423 8.120 -8.829 1.00 0.00 H ATOM 128 1HB GLU A 8 1.529 7.835 -6.475 1.00 0.00 H ATOM 129 2HB GLU A 8 1.082 8.659 -7.962 1.00 0.00 H ATOM 130 1HG GLU A 8 1.536 6.584 -9.231 1.00 0.00 H ATOM 131 2HG GLU A 8 1.931 5.765 -7.722 1.00 0.00 H ATOM 132 N HIS A 9 3.598 10.027 -6.153 1.00 0.00 N ATOM 133 CA HIS A 9 3.817 11.394 -5.695 1.00 0.00 C ATOM 134 C HIS A 9 5.107 11.966 -6.268 1.00 0.00 C ATOM 135 O HIS A 9 5.137 13.099 -6.748 1.00 0.00 O ATOM 136 CB HIS A 9 3.860 11.452 -4.165 1.00 0.00 C ATOM 137 CG HIS A 9 3.840 12.844 -3.615 1.00 0.00 C ATOM 138 ND1 HIS A 9 2.718 13.644 -3.656 1.00 0.00 N ATOM 139 CD2 HIS A 9 4.805 13.579 -3.013 1.00 0.00 C ATOM 140 CE1 HIS A 9 2.993 14.812 -3.101 1.00 0.00 C ATOM 141 NE2 HIS A 9 4.252 14.797 -2.704 1.00 0.00 N ATOM 142 H HIS A 9 3.598 9.277 -5.476 1.00 0.00 H ATOM 143 HA HIS A 9 2.982 12.009 -6.033 1.00 0.00 H ATOM 144 1HB HIS A 9 3.006 10.911 -3.756 1.00 0.00 H ATOM 145 2HB HIS A 9 4.762 10.957 -3.807 1.00 0.00 H ATOM 146 HD2 HIS A 9 5.829 13.263 -2.812 1.00 0.00 H ATOM 147 HE1 HIS A 9 2.299 15.645 -2.990 1.00 0.00 H ATOM 148 HE2 HIS A 9 4.736 15.557 -2.246 1.00 0.00 H ATOM 149 N TRP A 10 6.174 11.176 -6.213 1.00 0.00 N ATOM 150 CA TRP A 10 7.476 11.610 -6.706 1.00 0.00 C ATOM 151 C TRP A 10 7.459 11.791 -8.219 1.00 0.00 C ATOM 152 O TRP A 10 8.147 12.659 -8.757 1.00 0.00 O ATOM 153 CB TRP A 10 8.557 10.598 -6.323 1.00 0.00 C ATOM 154 CG TRP A 10 8.972 10.682 -4.885 1.00 0.00 C ATOM 155 CD1 TRP A 10 8.748 9.751 -3.916 1.00 0.00 C ATOM 156 CD2 TRP A 10 9.691 11.764 -4.244 1.00 0.00 C ATOM 157 NE1 TRP A 10 9.274 10.176 -2.721 1.00 0.00 N ATOM 158 CE2 TRP A 10 9.856 11.405 -2.903 1.00 0.00 C ATOM 159 CE3 TRP A 10 10.201 12.988 -4.694 1.00 0.00 C ATOM 160 CZ2 TRP A 10 10.509 12.228 -1.999 1.00 0.00 C ATOM 161 CZ3 TRP A 10 10.857 13.812 -3.787 1.00 0.00 C ATOM 162 CH2 TRP A 10 11.007 13.441 -2.475 1.00 0.00 C ATOM 163 H TRP A 10 6.082 10.250 -5.820 1.00 0.00 H ATOM 164 HA TRP A 10 7.720 12.566 -6.242 1.00 0.00 H ATOM 165 1HB TRP A 10 8.195 9.588 -6.516 1.00 0.00 H ATOM 166 2HB TRP A 10 9.438 10.754 -6.944 1.00 0.00 H ATOM 167 HD1 TRP A 10 8.228 8.807 -4.067 1.00 0.00 H ATOM 168 HE1 TRP A 10 9.238 9.669 -1.848 1.00 0.00 H ATOM 169 HE3 TRP A 10 10.086 13.287 -5.735 1.00 0.00 H ATOM 170 HZ2 TRP A 10 10.639 11.950 -0.953 1.00 0.00 H ATOM 171 HZ3 TRP A 10 11.250 14.764 -4.145 1.00 0.00 H ATOM 172 HH2 TRP A 10 11.528 14.111 -1.791 1.00 0.00 H ATOM 173 N GLU A 11 6.670 10.968 -8.899 1.00 0.00 N ATOM 174 CA GLU A 11 6.484 11.101 -10.340 1.00 0.00 C ATOM 175 C GLU A 11 5.775 12.405 -10.685 1.00 0.00 C ATOM 176 O GLU A 11 6.089 13.047 -11.687 1.00 0.00 O ATOM 177 CB GLU A 11 5.687 9.915 -10.887 1.00 0.00 C ATOM 178 CG GLU A 11 6.466 8.609 -10.949 1.00 0.00 C ATOM 179 CD GLU A 11 5.617 7.442 -11.371 1.00 0.00 C ATOM 180 OE1 GLU A 11 4.430 7.612 -11.505 1.00 0.00 O ATOM 181 OE2 GLU A 11 6.158 6.377 -11.558 1.00 0.00 O ATOM 182 H GLU A 11 6.187 10.231 -8.408 1.00 0.00 H ATOM 183 HA GLU A 11 7.465 11.100 -10.817 1.00 0.00 H ATOM 184 1HB GLU A 11 4.806 9.751 -10.265 1.00 0.00 H ATOM 185 2HB GLU A 11 5.338 10.145 -11.894 1.00 0.00 H ATOM 186 1HG GLU A 11 7.287 8.721 -11.657 1.00 0.00 H ATOM 187 2HG GLU A 11 6.893 8.406 -9.968 1.00 0.00 H ATOM 188 N ARG A 12 4.817 12.791 -9.850 1.00 0.00 N ATOM 189 CA ARG A 12 4.114 14.056 -10.022 1.00 0.00 C ATOM 190 C ARG A 12 5.045 15.240 -9.791 1.00 0.00 C ATOM 191 O ARG A 12 5.003 16.227 -10.525 1.00 0.00 O ATOM 192 CB ARG A 12 2.935 14.147 -9.064 1.00 0.00 C ATOM 193 CG ARG A 12 1.733 13.299 -9.447 1.00 0.00 C ATOM 194 CD ARG A 12 0.526 13.674 -8.667 1.00 0.00 C ATOM 195 NE ARG A 12 0.680 13.375 -7.252 1.00 0.00 N ATOM 196 CZ ARG A 12 0.289 12.227 -6.665 1.00 0.00 C ATOM 197 NH1 ARG A 12 -0.277 11.282 -7.382 1.00 0.00 N ATOM 198 NH2 ARG A 12 0.474 12.051 -5.368 1.00 0.00 N ATOM 199 H ARG A 12 4.569 12.191 -9.075 1.00 0.00 H ATOM 200 HA ARG A 12 3.734 14.104 -11.043 1.00 0.00 H ATOM 201 1HB ARG A 12 3.251 13.840 -8.068 1.00 0.00 H ATOM 202 2HB ARG A 12 2.601 15.182 -8.997 1.00 0.00 H ATOM 203 1HG ARG A 12 1.513 13.437 -10.506 1.00 0.00 H ATOM 204 2HG ARG A 12 1.953 12.248 -9.256 1.00 0.00 H ATOM 205 1HD ARG A 12 0.342 14.742 -8.771 1.00 0.00 H ATOM 206 2HD ARG A 12 -0.335 13.120 -9.040 1.00 0.00 H ATOM 207 HE ARG A 12 1.112 14.079 -6.667 1.00 0.00 H ATOM 208 1HH1 ARG A 12 -0.418 11.416 -8.374 1.00 0.00 H ATOM 209 2HH1 ARG A 12 -0.570 10.421 -6.943 1.00 0.00 H ATOM 210 1HH2 ARG A 12 0.910 12.778 -4.817 1.00 0.00 H ATOM 211 2HH2 ARG A 12 0.181 11.191 -4.929 1.00 0.00 H ATOM 212 N LEU A 13 5.885 15.134 -8.768 1.00 0.00 N ATOM 213 CA LEU A 13 6.831 16.194 -8.440 1.00 0.00 C ATOM 214 C LEU A 13 7.847 16.391 -9.559 1.00 0.00 C ATOM 215 O LEU A 13 8.209 17.520 -9.889 1.00 0.00 O ATOM 216 CB LEU A 13 7.560 15.868 -7.131 1.00 0.00 C ATOM 217 CG LEU A 13 6.706 15.936 -5.859 1.00 0.00 C ATOM 218 CD1 LEU A 13 7.476 15.326 -4.696 1.00 0.00 C ATOM 219 CD2 LEU A 13 6.338 17.384 -5.571 1.00 0.00 C ATOM 220 H LEU A 13 5.868 14.298 -8.201 1.00 0.00 H ATOM 221 HA LEU A 13 6.276 17.123 -8.305 1.00 0.00 H ATOM 222 1HB LEU A 13 7.968 14.861 -7.202 1.00 0.00 H ATOM 223 2HB LEU A 13 8.389 16.566 -7.011 1.00 0.00 H ATOM 224 HG LEU A 13 5.796 15.352 -5.999 1.00 0.00 H ATOM 225 1HD1 LEU A 13 6.869 15.374 -3.792 1.00 0.00 H ATOM 226 2HD1 LEU A 13 7.709 14.285 -4.920 1.00 0.00 H ATOM 227 3HD1 LEU A 13 8.401 15.880 -4.541 1.00 0.00 H ATOM 228 1HD2 LEU A 13 5.730 17.433 -4.667 1.00 0.00 H ATOM 229 2HD2 LEU A 13 7.247 17.969 -5.429 1.00 0.00 H ATOM 230 3HD2 LEU A 13 5.774 17.790 -6.411 1.00 0.00 H ATOM 231 N ASN A 14 8.302 15.286 -10.140 1.00 0.00 N ATOM 232 CA ASN A 14 9.175 15.338 -11.307 1.00 0.00 C ATOM 233 C ASN A 14 10.375 16.241 -11.055 1.00 0.00 C ATOM 234 O ASN A 14 10.701 17.098 -11.877 1.00 0.00 O ATOM 235 CB ASN A 14 8.405 15.801 -12.530 1.00 0.00 C ATOM 236 CG ASN A 14 9.137 15.519 -13.813 1.00 0.00 C ATOM 237 OD1 ASN A 14 9.896 14.548 -13.909 1.00 0.00 O ATOM 238 ND2 ASN A 14 8.922 16.350 -14.802 1.00 0.00 N ATOM 239 H ASN A 14 8.035 14.387 -9.764 1.00 0.00 H ATOM 240 HA ASN A 14 9.559 14.334 -11.497 1.00 0.00 H ATOM 241 1HB ASN A 14 7.436 15.301 -12.561 1.00 0.00 H ATOM 242 2HB ASN A 14 8.220 16.872 -12.459 1.00 0.00 H ATOM 243 1HD2 ASN A 14 9.382 16.212 -15.679 1.00 0.00 H ATOM 244 2HD2 ASN A 14 8.300 17.122 -14.680 1.00 0.00 H ATOM 245 N ARG A 15 11.030 16.044 -9.917 1.00 0.00 N ATOM 246 CA ARG A 15 12.185 16.853 -9.548 1.00 0.00 C ATOM 247 C ARG A 15 13.321 15.983 -9.022 1.00 0.00 C ATOM 248 O ARG A 15 13.089 14.897 -8.492 1.00 0.00 O ATOM 249 CB ARG A 15 11.805 17.879 -8.490 1.00 0.00 C ATOM 250 CG ARG A 15 11.397 17.293 -7.148 1.00 0.00 C ATOM 251 CD ARG A 15 10.880 18.337 -6.227 1.00 0.00 C ATOM 252 NE ARG A 15 10.518 17.786 -4.931 1.00 0.00 N ATOM 253 CZ ARG A 15 9.929 18.484 -3.940 1.00 0.00 C ATOM 254 NH1 ARG A 15 9.643 19.756 -4.112 1.00 0.00 N ATOM 255 NH2 ARG A 15 9.639 17.891 -2.796 1.00 0.00 N ATOM 256 H ARG A 15 10.719 15.316 -9.290 1.00 0.00 H ATOM 257 HA ARG A 15 12.534 17.384 -10.434 1.00 0.00 H ATOM 258 1HB ARG A 15 12.645 18.550 -8.316 1.00 0.00 H ATOM 259 2HB ARG A 15 10.973 18.483 -8.852 1.00 0.00 H ATOM 260 1HG ARG A 15 10.614 16.550 -7.298 1.00 0.00 H ATOM 261 2HG ARG A 15 12.261 16.820 -6.680 1.00 0.00 H ATOM 262 1HD ARG A 15 11.645 19.097 -6.072 1.00 0.00 H ATOM 263 2HD ARG A 15 9.994 18.798 -6.661 1.00 0.00 H ATOM 264 HE ARG A 15 10.722 16.810 -4.761 1.00 0.00 H ATOM 265 1HH1 ARG A 15 9.865 20.210 -4.987 1.00 0.00 H ATOM 266 2HH1 ARG A 15 9.202 20.279 -3.370 1.00 0.00 H ATOM 267 1HH2 ARG A 15 9.859 16.913 -2.663 1.00 0.00 H ATOM 268 2HH2 ARG A 15 9.198 18.414 -2.054 1.00 0.00 H ATOM 269 N ASP A 16 14.550 16.469 -9.173 1.00 0.00 N ATOM 270 CA ASP A 16 15.719 15.763 -8.664 1.00 0.00 C ATOM 271 C ASP A 16 15.674 15.645 -7.145 1.00 0.00 C ATOM 272 O ASP A 16 15.279 16.582 -6.452 1.00 0.00 O ATOM 273 CB ASP A 16 17.004 16.478 -9.089 1.00 0.00 C ATOM 274 CG ASP A 16 17.320 16.299 -10.567 1.00 0.00 C ATOM 275 OD1 ASP A 16 16.734 15.438 -11.180 1.00 0.00 O ATOM 276 OD2 ASP A 16 18.146 17.024 -11.069 1.00 0.00 O ATOM 277 H ASP A 16 14.675 17.349 -9.652 1.00 0.00 H ATOM 278 HA ASP A 16 15.732 14.761 -9.092 1.00 0.00 H ATOM 279 1HB ASP A 16 16.913 17.544 -8.878 1.00 0.00 H ATOM 280 2HB ASP A 16 17.842 16.099 -8.504 1.00 0.00 H ATOM 281 N PHE A 17 16.081 14.488 -6.634 1.00 0.00 N ATOM 282 CA PHE A 17 16.077 14.241 -5.198 1.00 0.00 C ATOM 283 C PHE A 17 17.497 14.155 -4.651 1.00 0.00 C ATOM 284 O PHE A 17 18.308 13.358 -5.122 1.00 0.00 O ATOM 285 CB PHE A 17 15.323 12.949 -4.880 1.00 0.00 C ATOM 286 CG PHE A 17 15.372 12.560 -3.429 1.00 0.00 C ATOM 287 CD1 PHE A 17 14.590 13.220 -2.493 1.00 0.00 C ATOM 288 CD2 PHE A 17 16.200 11.535 -2.998 1.00 0.00 C ATOM 289 CE1 PHE A 17 14.634 12.864 -1.158 1.00 0.00 C ATOM 290 CE2 PHE A 17 16.245 11.175 -1.665 1.00 0.00 C ATOM 291 CZ PHE A 17 15.461 11.841 -0.745 1.00 0.00 C ATOM 292 H PHE A 17 16.400 13.760 -7.259 1.00 0.00 H ATOM 293 HA PHE A 17 15.563 15.067 -4.706 1.00 0.00 H ATOM 294 1HB PHE A 17 14.278 13.057 -5.168 1.00 0.00 H ATOM 295 2HB PHE A 17 15.741 12.131 -5.465 1.00 0.00 H ATOM 296 HD1 PHE A 17 13.935 14.028 -2.821 1.00 0.00 H ATOM 297 HD2 PHE A 17 16.819 11.009 -3.726 1.00 0.00 H ATOM 298 HE1 PHE A 17 14.015 13.391 -0.433 1.00 0.00 H ATOM 299 HE2 PHE A 17 16.900 10.367 -1.340 1.00 0.00 H ATOM 300 HZ PHE A 17 15.497 11.560 0.307 1.00 0.00 H ATOM 301 N GLU A 18 17.792 14.982 -3.654 1.00 0.00 N ATOM 302 CA GLU A 18 19.124 15.026 -3.063 1.00 0.00 C ATOM 303 C GLU A 18 19.085 14.658 -1.586 1.00 0.00 C ATOM 304 O GLU A 18 18.474 15.358 -0.778 1.00 0.00 O ATOM 305 CB GLU A 18 19.739 16.416 -3.236 1.00 0.00 C ATOM 306 CG GLU A 18 21.147 16.555 -2.674 1.00 0.00 C ATOM 307 CD GLU A 18 21.761 17.898 -2.959 1.00 0.00 C ATOM 308 OE1 GLU A 18 21.069 18.752 -3.458 1.00 0.00 O ATOM 309 OE2 GLU A 18 22.924 18.069 -2.678 1.00 0.00 O ATOM 310 H GLU A 18 17.075 15.597 -3.295 1.00 0.00 H ATOM 311 HA GLU A 18 19.758 14.308 -3.586 1.00 0.00 H ATOM 312 1HB GLU A 18 19.775 16.669 -4.295 1.00 0.00 H ATOM 313 2HB GLU A 18 19.108 17.157 -2.744 1.00 0.00 H ATOM 314 1HG GLU A 18 21.113 16.406 -1.595 1.00 0.00 H ATOM 315 2HG GLU A 18 21.776 15.775 -3.101 1.00 0.00 H ATOM 316 N LEU A 19 19.738 13.554 -1.239 1.00 0.00 N ATOM 317 CA LEU A 19 19.814 13.113 0.150 1.00 0.00 C ATOM 318 C LEU A 19 21.242 13.187 0.673 1.00 0.00 C ATOM 319 O LEU A 19 22.157 12.605 0.091 1.00 0.00 O ATOM 320 CB LEU A 19 19.288 11.678 0.280 1.00 0.00 C ATOM 321 CG LEU A 19 19.523 11.004 1.638 1.00 0.00 C ATOM 322 CD1 LEU A 19 18.738 11.743 2.714 1.00 0.00 C ATOM 323 CD2 LEU A 19 19.103 9.544 1.559 1.00 0.00 C ATOM 324 H LEU A 19 20.194 13.006 -1.955 1.00 0.00 H ATOM 325 HA LEU A 19 19.185 13.767 0.755 1.00 0.00 H ATOM 326 1HB LEU A 19 18.215 11.683 0.093 1.00 0.00 H ATOM 327 2HB LEU A 19 19.766 11.063 -0.483 1.00 0.00 H ATOM 328 HG LEU A 19 20.580 11.064 1.896 1.00 0.00 H ATOM 329 1HD1 LEU A 19 18.905 11.264 3.679 1.00 0.00 H ATOM 330 2HD1 LEU A 19 19.072 12.779 2.761 1.00 0.00 H ATOM 331 3HD1 LEU A 19 17.676 11.714 2.474 1.00 0.00 H ATOM 332 1HD2 LEU A 19 19.270 9.065 2.524 1.00 0.00 H ATOM 333 2HD2 LEU A 19 18.045 9.483 1.303 1.00 0.00 H ATOM 334 3HD2 LEU A 19 19.692 9.037 0.795 1.00 0.00 H ATOM 335 N ARG A 20 21.426 13.905 1.776 1.00 0.00 N ATOM 336 CA ARG A 20 22.754 14.110 2.344 1.00 0.00 C ATOM 337 C ARG A 20 22.884 13.426 3.699 1.00 0.00 C ATOM 338 O ARG A 20 22.232 13.816 4.668 1.00 0.00 O ATOM 339 CB ARG A 20 23.047 15.595 2.499 1.00 0.00 C ATOM 340 CG ARG A 20 23.099 16.376 1.195 1.00 0.00 C ATOM 341 CD ARG A 20 23.380 17.815 1.429 1.00 0.00 C ATOM 342 NE ARG A 20 23.404 18.571 0.187 1.00 0.00 N ATOM 343 CZ ARG A 20 23.623 19.898 0.103 1.00 0.00 C ATOM 344 NH1 ARG A 20 23.836 20.599 1.194 1.00 0.00 N ATOM 345 NH2 ARG A 20 23.625 20.494 -1.077 1.00 0.00 N ATOM 346 H ARG A 20 20.627 14.319 2.233 1.00 0.00 H ATOM 347 HA ARG A 20 23.491 13.682 1.663 1.00 0.00 H ATOM 348 1HB ARG A 20 22.283 16.052 3.127 1.00 0.00 H ATOM 349 2HB ARG A 20 24.005 15.726 3.001 1.00 0.00 H ATOM 350 1HG ARG A 20 23.888 15.971 0.560 1.00 0.00 H ATOM 351 2HG ARG A 20 22.141 16.292 0.682 1.00 0.00 H ATOM 352 1HD ARG A 20 22.607 18.238 2.070 1.00 0.00 H ATOM 353 2HD ARG A 20 24.350 17.923 1.912 1.00 0.00 H ATOM 354 HE ARG A 20 23.244 18.066 -0.675 1.00 0.00 H ATOM 355 1HH1 ARG A 20 23.834 20.144 2.096 1.00 0.00 H ATOM 356 2HH1 ARG A 20 24.000 21.594 1.131 1.00 0.00 H ATOM 357 1HH2 ARG A 20 23.462 19.955 -1.916 1.00 0.00 H ATOM 358 2HH2 ARG A 20 23.790 21.488 -1.140 1.00 0.00 H ATOM 359 N VAL A 21 23.730 12.403 3.761 1.00 0.00 N ATOM 360 CA VAL A 21 23.962 11.674 5.002 1.00 0.00 C ATOM 361 C VAL A 21 25.450 11.581 5.316 1.00 0.00 C ATOM 362 O VAL A 21 26.227 11.040 4.530 1.00 0.00 O ATOM 363 CB VAL A 21 23.369 10.256 4.908 1.00 0.00 C ATOM 364 CG1 VAL A 21 23.655 9.473 6.180 1.00 0.00 C ATOM 365 CG2 VAL A 21 21.872 10.336 4.649 1.00 0.00 C ATOM 366 H VAL A 21 24.226 12.124 2.927 1.00 0.00 H ATOM 367 HA VAL A 21 23.467 12.208 5.814 1.00 0.00 H ATOM 368 HB VAL A 21 23.852 9.724 4.088 1.00 0.00 H ATOM 369 1HG1 VAL A 21 23.230 8.473 6.096 1.00 0.00 H ATOM 370 2HG1 VAL A 21 24.733 9.397 6.326 1.00 0.00 H ATOM 371 3HG1 VAL A 21 23.208 9.986 7.031 1.00 0.00 H ATOM 372 1HG2 VAL A 21 21.460 9.330 4.582 1.00 0.00 H ATOM 373 2HG2 VAL A 21 21.390 10.873 5.466 1.00 0.00 H ATOM 374 3HG2 VAL A 21 21.693 10.864 3.712 1.00 0.00 H ATOM 375 N LEU A 22 25.840 12.110 6.470 1.00 0.00 N ATOM 376 CA LEU A 22 27.250 12.202 6.833 1.00 0.00 C ATOM 377 C LEU A 22 28.052 12.916 5.753 1.00 0.00 C ATOM 378 O LEU A 22 27.831 14.097 5.481 1.00 0.00 O ATOM 379 CB LEU A 22 27.829 10.801 7.067 1.00 0.00 C ATOM 380 CG LEU A 22 27.149 9.975 8.166 1.00 0.00 C ATOM 381 CD1 LEU A 22 27.697 8.554 8.146 1.00 0.00 C ATOM 382 CD2 LEU A 22 27.387 10.633 9.517 1.00 0.00 C ATOM 383 H LEU A 22 25.143 12.457 7.114 1.00 0.00 H ATOM 384 HA LEU A 22 27.332 12.769 7.762 1.00 0.00 H ATOM 385 1HB LEU A 22 27.760 10.237 6.138 1.00 0.00 H ATOM 386 2HB LEU A 22 28.882 10.900 7.330 1.00 0.00 H ATOM 387 HG LEU A 22 26.078 9.922 7.972 1.00 0.00 H ATOM 388 1HD1 LEU A 22 27.213 7.967 8.927 1.00 0.00 H ATOM 389 2HD1 LEU A 22 27.495 8.100 7.175 1.00 0.00 H ATOM 390 3HD1 LEU A 22 28.771 8.576 8.322 1.00 0.00 H ATOM 391 1HD2 LEU A 22 26.903 10.046 10.298 1.00 0.00 H ATOM 392 2HD2 LEU A 22 28.458 10.685 9.713 1.00 0.00 H ATOM 393 3HD2 LEU A 22 26.971 11.641 9.509 1.00 0.00 H ATOM 394 N ASP A 23 28.981 12.194 5.138 1.00 0.00 N ATOM 395 CA ASP A 23 29.857 12.773 4.126 1.00 0.00 C ATOM 396 C ASP A 23 29.569 12.189 2.749 1.00 0.00 C ATOM 397 O ASP A 23 30.370 12.333 1.824 1.00 0.00 O ATOM 398 CB ASP A 23 31.326 12.539 4.490 1.00 0.00 C ATOM 399 CG ASP A 23 31.665 11.064 4.661 1.00 0.00 C ATOM 400 OD1 ASP A 23 30.758 10.268 4.716 1.00 0.00 O ATOM 401 OD2 ASP A 23 32.829 10.748 4.734 1.00 0.00 O ATOM 402 H ASP A 23 29.085 11.218 5.378 1.00 0.00 H ATOM 403 HA ASP A 23 29.684 13.849 4.094 1.00 0.00 H ATOM 404 1HB ASP A 23 31.964 12.956 3.711 1.00 0.00 H ATOM 405 2HB ASP A 23 31.558 13.060 5.419 1.00 0.00 H ATOM 406 N THR A 24 28.423 11.532 2.619 1.00 0.00 N ATOM 407 CA THR A 24 28.033 10.915 1.356 1.00 0.00 C ATOM 408 C THR A 24 26.730 11.506 0.834 1.00 0.00 C ATOM 409 O THR A 24 25.738 11.586 1.559 1.00 0.00 O ATOM 410 CB THR A 24 27.885 9.390 1.507 1.00 0.00 C ATOM 411 OG1 THR A 24 29.131 8.827 1.938 1.00 0.00 O ATOM 412 CG2 THR A 24 27.480 8.760 0.183 1.00 0.00 C ATOM 413 H THR A 24 27.805 11.458 3.414 1.00 0.00 H ATOM 414 HA THR A 24 28.819 11.099 0.624 1.00 0.00 H ATOM 415 HB THR A 24 27.124 9.170 2.255 1.00 0.00 H ATOM 416 HG1 THR A 24 29.304 9.092 2.845 1.00 0.00 H ATOM 417 1HG2 THR A 24 27.380 7.682 0.309 1.00 0.00 H ATOM 418 2HG2 THR A 24 26.527 9.178 -0.142 1.00 0.00 H ATOM 419 3HG2 THR A 24 28.242 8.968 -0.567 1.00 0.00 H ATOM 420 N THR A 25 26.739 11.920 -0.429 1.00 0.00 N ATOM 421 CA THR A 25 25.555 12.498 -1.054 1.00 0.00 C ATOM 422 C THR A 25 24.921 11.525 -2.039 1.00 0.00 C ATOM 423 O THR A 25 25.598 10.981 -2.912 1.00 0.00 O ATOM 424 CB THR A 25 25.897 13.815 -1.775 1.00 0.00 C ATOM 425 OG1 THR A 25 26.425 14.756 -0.832 1.00 0.00 O ATOM 426 CG2 THR A 25 24.656 14.401 -2.430 1.00 0.00 C ATOM 427 H THR A 25 27.586 11.831 -0.970 1.00 0.00 H ATOM 428 HA THR A 25 24.829 12.728 -0.273 1.00 0.00 H ATOM 429 HB THR A 25 26.649 13.626 -2.540 1.00 0.00 H ATOM 430 HG1 THR A 25 27.333 14.523 -0.624 1.00 0.00 H ATOM 431 1HG2 THR A 25 24.916 15.331 -2.936 1.00 0.00 H ATOM 432 2HG2 THR A 25 24.258 13.692 -3.156 1.00 0.00 H ATOM 433 3HG2 THR A 25 23.903 14.601 -1.669 1.00 0.00 H ATOM 434 N PHE A 26 23.618 11.309 -1.894 1.00 0.00 N ATOM 435 CA PHE A 26 22.894 10.383 -2.756 1.00 0.00 C ATOM 436 C PHE A 26 21.953 11.124 -3.696 1.00 0.00 C ATOM 437 O PHE A 26 21.042 11.826 -3.253 1.00 0.00 O ATOM 438 CB PHE A 26 22.098 9.382 -1.915 1.00 0.00 C ATOM 439 CG PHE A 26 22.947 8.557 -0.991 1.00 0.00 C ATOM 440 CD1 PHE A 26 23.312 9.041 0.257 1.00 0.00 C ATOM 441 CD2 PHE A 26 23.384 7.296 -1.367 1.00 0.00 C ATOM 442 CE1 PHE A 26 24.093 8.282 1.108 1.00 0.00 C ATOM 443 CE2 PHE A 26 24.164 6.535 -0.518 1.00 0.00 C ATOM 444 CZ PHE A 26 24.519 7.030 0.721 1.00 0.00 C ATOM 445 H PHE A 26 23.115 11.800 -1.169 1.00 0.00 H ATOM 446 HA PHE A 26 23.619 9.827 -3.354 1.00 0.00 H ATOM 447 1HB PHE A 26 21.362 9.916 -1.315 1.00 0.00 H ATOM 448 2HB PHE A 26 21.554 8.706 -2.573 1.00 0.00 H ATOM 449 HD1 PHE A 26 22.974 10.031 0.563 1.00 0.00 H ATOM 450 HD2 PHE A 26 23.103 6.905 -2.346 1.00 0.00 H ATOM 451 HE1 PHE A 26 24.372 8.675 2.085 1.00 0.00 H ATOM 452 HE2 PHE A 26 24.500 5.545 -0.826 1.00 0.00 H ATOM 453 HZ PHE A 26 25.135 6.432 1.391 1.00 0.00 H ATOM 454 N ILE A 27 22.177 10.967 -4.996 1.00 0.00 N ATOM 455 CA ILE A 27 21.367 11.644 -6.001 1.00 0.00 C ATOM 456 C ILE A 27 20.473 10.659 -6.744 1.00 0.00 C ATOM 457 O ILE A 27 20.944 9.642 -7.253 1.00 0.00 O ATOM 458 CB ILE A 27 22.256 12.393 -7.011 1.00 0.00 C ATOM 459 CG1 ILE A 27 23.215 13.337 -6.280 1.00 0.00 C ATOM 460 CG2 ILE A 27 21.400 13.163 -8.004 1.00 0.00 C ATOM 461 CD1 ILE A 27 22.519 14.392 -5.450 1.00 0.00 C ATOM 462 H ILE A 27 22.928 10.363 -5.296 1.00 0.00 H ATOM 463 HA ILE A 27 20.736 12.379 -5.500 1.00 0.00 H ATOM 464 HB ILE A 27 22.872 11.677 -7.554 1.00 0.00 H ATOM 465 1HG1 ILE A 27 23.863 12.759 -5.623 1.00 0.00 H ATOM 466 2HG1 ILE A 27 23.852 13.841 -7.006 1.00 0.00 H ATOM 467 1HG2 ILE A 27 22.045 13.687 -8.710 1.00 0.00 H ATOM 468 2HG2 ILE A 27 20.758 12.469 -8.546 1.00 0.00 H ATOM 469 3HG2 ILE A 27 20.784 13.886 -7.470 1.00 0.00 H ATOM 470 1HD1 ILE A 27 23.264 15.022 -4.964 1.00 0.00 H ATOM 471 2HD1 ILE A 27 21.890 15.006 -6.096 1.00 0.00 H ATOM 472 3HD1 ILE A 27 21.902 13.910 -4.693 1.00 0.00 H ATOM 473 N ALA A 28 19.182 10.966 -6.801 1.00 0.00 N ATOM 474 CA ALA A 28 18.227 10.129 -7.517 1.00 0.00 C ATOM 475 C ALA A 28 17.465 10.932 -8.564 1.00 0.00 C ATOM 476 O ALA A 28 17.090 12.080 -8.327 1.00 0.00 O ATOM 477 CB ALA A 28 17.257 9.480 -6.540 1.00 0.00 C ATOM 478 H ALA A 28 18.854 11.802 -6.339 1.00 0.00 H ATOM 479 HA ALA A 28 18.773 9.330 -8.019 1.00 0.00 H ATOM 480 1HB ALA A 28 16.550 8.858 -7.088 1.00 0.00 H ATOM 481 2HB ALA A 28 17.811 8.862 -5.833 1.00 0.00 H ATOM 482 3HB ALA A 28 16.715 10.253 -5.998 1.00 0.00 H ATOM 483 N HIS A 29 17.241 10.322 -9.722 1.00 0.00 N ATOM 484 CA HIS A 29 16.531 10.981 -10.811 1.00 0.00 C ATOM 485 C HIS A 29 15.277 10.208 -11.199 1.00 0.00 C ATOM 486 O HIS A 29 14.747 10.378 -12.297 1.00 0.00 O ATOM 487 CB HIS A 29 17.441 11.137 -12.034 1.00 0.00 C ATOM 488 CG HIS A 29 18.652 11.979 -11.780 1.00 0.00 C ATOM 489 ND1 HIS A 29 18.597 13.354 -11.691 1.00 0.00 N ATOM 490 CD2 HIS A 29 19.950 11.642 -11.595 1.00 0.00 C ATOM 491 CE1 HIS A 29 19.810 13.826 -11.462 1.00 0.00 C ATOM 492 NE2 HIS A 29 20.648 12.808 -11.400 1.00 0.00 N ATOM 493 H HIS A 29 17.571 9.376 -9.851 1.00 0.00 H ATOM 494 HA HIS A 29 16.239 11.979 -10.480 1.00 0.00 H ATOM 495 1HB HIS A 29 17.773 10.154 -12.369 1.00 0.00 H ATOM 496 2HB HIS A 29 16.878 11.588 -12.851 1.00 0.00 H ATOM 497 HD1 HIS A 29 17.769 13.915 -11.709 1.00 0.00 H ATOM 498 HD2 HIS A 29 20.471 10.684 -11.580 1.00 0.00 H ATOM 499 HE1 HIS A 29 19.978 14.898 -11.358 1.00 0.00 H ATOM 500 N HIS A 30 14.806 9.360 -10.292 1.00 0.00 N ATOM 501 CA HIS A 30 13.617 8.554 -10.541 1.00 0.00 C ATOM 502 C HIS A 30 12.908 8.201 -9.239 1.00 0.00 C ATOM 503 O HIS A 30 13.547 8.017 -8.203 1.00 0.00 O ATOM 504 CB HIS A 30 13.981 7.270 -11.294 1.00 0.00 C ATOM 505 CG HIS A 30 12.797 6.543 -11.852 1.00 0.00 C ATOM 506 ND1 HIS A 30 11.988 5.736 -11.079 1.00 0.00 N ATOM 507 CD2 HIS A 30 12.285 6.501 -13.104 1.00 0.00 C ATOM 508 CE1 HIS A 30 11.028 5.229 -11.834 1.00 0.00 C ATOM 509 NE2 HIS A 30 11.187 5.678 -13.066 1.00 0.00 N ATOM 510 H HIS A 30 15.285 9.270 -9.407 1.00 0.00 H ATOM 511 HA HIS A 30 12.934 9.129 -11.167 1.00 0.00 H ATOM 512 1HB HIS A 30 14.654 7.510 -12.118 1.00 0.00 H ATOM 513 2HB HIS A 30 14.512 6.594 -10.625 1.00 0.00 H ATOM 514 HD2 HIS A 30 12.672 7.023 -13.980 1.00 0.00 H ATOM 515 HE1 HIS A 30 10.241 4.556 -11.497 1.00 0.00 H ATOM 516 HE2 HIS A 30 10.598 5.455 -13.856 1.00 0.00 H ATOM 517 N ALA A 31 11.584 8.110 -9.299 1.00 0.00 N ATOM 518 CA ALA A 31 10.779 7.859 -8.110 1.00 0.00 C ATOM 519 C ALA A 31 11.229 6.588 -7.399 1.00 0.00 C ATOM 520 O ALA A 31 11.256 6.531 -6.169 1.00 0.00 O ATOM 521 CB ALA A 31 9.305 7.766 -8.478 1.00 0.00 C ATOM 522 H ALA A 31 11.123 8.219 -10.191 1.00 0.00 H ATOM 523 HA ALA A 31 10.897 8.702 -7.428 1.00 0.00 H ATOM 524 1HB ALA A 31 8.717 7.578 -7.579 1.00 0.00 H ATOM 525 2HB ALA A 31 8.984 8.703 -8.932 1.00 0.00 H ATOM 526 3HB ALA A 31 9.157 6.951 -9.184 1.00 0.00 H ATOM 527 N GLU A 32 11.579 5.573 -8.180 1.00 0.00 N ATOM 528 CA GLU A 32 11.965 4.280 -7.627 1.00 0.00 C ATOM 529 C GLU A 32 13.290 4.371 -6.884 1.00 0.00 C ATOM 530 O GLU A 32 13.466 3.756 -5.831 1.00 0.00 O ATOM 531 CB GLU A 32 12.065 3.233 -8.739 1.00 0.00 C ATOM 532 CG GLU A 32 12.338 1.818 -8.249 1.00 0.00 C ATOM 533 CD GLU A 32 11.219 1.263 -7.412 1.00 0.00 C ATOM 534 OE1 GLU A 32 10.127 1.771 -7.502 1.00 0.00 O ATOM 535 OE2 GLU A 32 11.457 0.330 -6.682 1.00 0.00 O ATOM 536 H GLU A 32 11.580 5.700 -9.182 1.00 0.00 H ATOM 537 HA GLU A 32 11.192 3.959 -6.928 1.00 0.00 H ATOM 538 1HB GLU A 32 11.134 3.216 -9.308 1.00 0.00 H ATOM 539 2HB GLU A 32 12.864 3.509 -9.428 1.00 0.00 H ATOM 540 1HG GLU A 32 12.489 1.169 -9.111 1.00 0.00 H ATOM 541 2HG GLU A 32 13.257 1.819 -7.664 1.00 0.00 H ATOM 542 N GLU A 33 14.222 5.140 -7.437 1.00 0.00 N ATOM 543 CA GLU A 33 15.518 5.350 -6.804 1.00 0.00 C ATOM 544 C GLU A 33 15.371 6.083 -5.477 1.00 0.00 C ATOM 545 O GLU A 33 16.073 5.785 -4.511 1.00 0.00 O ATOM 546 CB GLU A 33 16.443 6.139 -7.733 1.00 0.00 C ATOM 547 CG GLU A 33 16.896 5.373 -8.968 1.00 0.00 C ATOM 548 CD GLU A 33 17.624 6.238 -9.959 1.00 0.00 C ATOM 549 OE1 GLU A 33 17.661 7.429 -9.765 1.00 0.00 O ATOM 550 OE2 GLU A 33 18.145 5.706 -10.911 1.00 0.00 O ATOM 551 H GLU A 33 14.026 5.592 -8.319 1.00 0.00 H ATOM 552 HA GLU A 33 15.973 4.377 -6.617 1.00 0.00 H ATOM 553 1HB GLU A 33 15.937 7.044 -8.068 1.00 0.00 H ATOM 554 2HB GLU A 33 17.334 6.446 -7.185 1.00 0.00 H ATOM 555 1HG GLU A 33 17.554 4.561 -8.658 1.00 0.00 H ATOM 556 2HG GLU A 33 16.023 4.933 -9.449 1.00 0.00 H ATOM 557 N VAL A 34 14.453 7.044 -5.435 1.00 0.00 N ATOM 558 CA VAL A 34 14.208 7.816 -4.224 1.00 0.00 C ATOM 559 C VAL A 34 13.663 6.934 -3.109 1.00 0.00 C ATOM 560 O VAL A 34 14.084 7.042 -1.957 1.00 0.00 O ATOM 561 CB VAL A 34 13.209 8.954 -4.508 1.00 0.00 C ATOM 562 CG1 VAL A 34 12.829 9.665 -3.218 1.00 0.00 C ATOM 563 CG2 VAL A 34 13.810 9.932 -5.506 1.00 0.00 C ATOM 564 H VAL A 34 13.912 7.243 -6.265 1.00 0.00 H ATOM 565 HA VAL A 34 15.151 8.254 -3.895 1.00 0.00 H ATOM 566 HB VAL A 34 12.295 8.528 -4.922 1.00 0.00 H ATOM 567 1HG1 VAL A 34 12.123 10.465 -3.438 1.00 0.00 H ATOM 568 2HG1 VAL A 34 12.369 8.953 -2.533 1.00 0.00 H ATOM 569 3HG1 VAL A 34 13.723 10.086 -2.758 1.00 0.00 H ATOM 570 1HG2 VAL A 34 13.098 10.734 -5.703 1.00 0.00 H ATOM 571 2HG2 VAL A 34 14.727 10.354 -5.095 1.00 0.00 H ATOM 572 3HG2 VAL A 34 14.036 9.411 -6.436 1.00 0.00 H ATOM 573 N ILE A 35 12.724 6.061 -3.457 1.00 0.00 N ATOM 574 CA ILE A 35 12.134 5.143 -2.489 1.00 0.00 C ATOM 575 C ILE A 35 13.197 4.253 -1.857 1.00 0.00 C ATOM 576 O ILE A 35 13.194 4.031 -0.646 1.00 0.00 O ATOM 577 CB ILE A 35 11.055 4.267 -3.151 1.00 0.00 C ATOM 578 CG1 ILE A 35 9.835 5.112 -3.524 1.00 0.00 C ATOM 579 CG2 ILE A 35 10.654 3.128 -2.226 1.00 0.00 C ATOM 580 CD1 ILE A 35 8.871 4.415 -4.457 1.00 0.00 C ATOM 581 H ILE A 35 12.410 6.032 -4.416 1.00 0.00 H ATOM 582 HA ILE A 35 11.656 5.729 -1.704 1.00 0.00 H ATOM 583 HB ILE A 35 11.444 3.849 -4.079 1.00 0.00 H ATOM 584 1HG1 ILE A 35 9.294 5.390 -2.620 1.00 0.00 H ATOM 585 2HG1 ILE A 35 10.164 6.035 -4.003 1.00 0.00 H ATOM 586 1HG2 ILE A 35 9.891 2.518 -2.709 1.00 0.00 H ATOM 587 2HG2 ILE A 35 11.526 2.512 -2.009 1.00 0.00 H ATOM 588 3HG2 ILE A 35 10.258 3.536 -1.296 1.00 0.00 H ATOM 589 1HD1 ILE A 35 8.033 5.078 -4.676 1.00 0.00 H ATOM 590 2HD1 ILE A 35 9.383 4.160 -5.385 1.00 0.00 H ATOM 591 3HD1 ILE A 35 8.500 3.507 -3.984 1.00 0.00 H ATOM 592 N LYS A 36 14.103 3.743 -2.683 1.00 0.00 N ATOM 593 CA LYS A 36 15.208 2.924 -2.198 1.00 0.00 C ATOM 594 C LYS A 36 16.052 3.685 -1.185 1.00 0.00 C ATOM 595 O LYS A 36 16.450 3.135 -0.157 1.00 0.00 O ATOM 596 CB LYS A 36 16.081 2.457 -3.364 1.00 0.00 C ATOM 597 CG LYS A 36 15.437 1.394 -4.245 1.00 0.00 C ATOM 598 CD LYS A 36 16.350 1.005 -5.398 1.00 0.00 C ATOM 599 CE LYS A 36 15.715 -0.068 -6.270 1.00 0.00 C ATOM 600 NZ LYS A 36 16.572 -0.418 -7.435 1.00 0.00 N ATOM 601 H LYS A 36 14.025 3.928 -3.674 1.00 0.00 H ATOM 602 HA LYS A 36 14.796 2.038 -1.716 1.00 0.00 H ATOM 603 1HB LYS A 36 16.331 3.309 -3.996 1.00 0.00 H ATOM 604 2HB LYS A 36 17.016 2.050 -2.978 1.00 0.00 H ATOM 605 1HG LYS A 36 15.223 0.507 -3.648 1.00 0.00 H ATOM 606 2HG LYS A 36 14.499 1.775 -4.647 1.00 0.00 H ATOM 607 1HD LYS A 36 16.557 1.884 -6.011 1.00 0.00 H ATOM 608 2HD LYS A 36 17.293 0.628 -5.005 1.00 0.00 H ATOM 609 1HE LYS A 36 15.545 -0.965 -5.677 1.00 0.00 H ATOM 610 2HE LYS A 36 14.752 0.286 -6.639 1.00 0.00 H ATOM 611 1HZ LYS A 36 16.117 -1.131 -7.987 1.00 0.00 H ATOM 612 2HZ LYS A 36 16.722 0.404 -8.003 1.00 0.00 H ATOM 613 3HZ LYS A 36 17.462 -0.765 -7.106 1.00 0.00 H ATOM 614 N LEU A 37 16.324 4.952 -1.479 1.00 0.00 N ATOM 615 CA LEU A 37 17.123 5.790 -0.593 1.00 0.00 C ATOM 616 C LEU A 37 16.385 6.073 0.709 1.00 0.00 C ATOM 617 O LEU A 37 16.982 6.073 1.785 1.00 0.00 O ATOM 618 CB LEU A 37 17.474 7.112 -1.287 1.00 0.00 C ATOM 619 CG LEU A 37 18.495 7.013 -2.428 1.00 0.00 C ATOM 620 CD1 LEU A 37 18.583 8.352 -3.148 1.00 0.00 C ATOM 621 CD2 LEU A 37 19.848 6.605 -1.864 1.00 0.00 C ATOM 622 H LEU A 37 15.969 5.344 -2.339 1.00 0.00 H ATOM 623 HA LEU A 37 18.051 5.265 -0.362 1.00 0.00 H ATOM 624 1HB LEU A 37 16.562 7.543 -1.696 1.00 0.00 H ATOM 625 2HB LEU A 37 17.875 7.800 -0.542 1.00 0.00 H ATOM 626 HG LEU A 37 18.163 6.268 -3.150 1.00 0.00 H ATOM 627 1HD1 LEU A 37 19.309 8.282 -3.958 1.00 0.00 H ATOM 628 2HD1 LEU A 37 17.607 8.610 -3.557 1.00 0.00 H ATOM 629 3HD1 LEU A 37 18.898 9.123 -2.445 1.00 0.00 H ATOM 630 1HD2 LEU A 37 20.574 6.535 -2.675 1.00 0.00 H ATOM 631 2HD2 LEU A 37 20.182 7.351 -1.143 1.00 0.00 H ATOM 632 3HD2 LEU A 37 19.760 5.637 -1.371 1.00 0.00 H ATOM 633 N LEU A 38 15.083 6.317 0.605 1.00 0.00 N ATOM 634 CA LEU A 38 14.265 6.627 1.771 1.00 0.00 C ATOM 635 C LEU A 38 14.207 5.445 2.732 1.00 0.00 C ATOM 636 O LEU A 38 14.318 5.615 3.946 1.00 0.00 O ATOM 637 CB LEU A 38 12.845 7.011 1.336 1.00 0.00 C ATOM 638 CG LEU A 38 12.711 8.362 0.622 1.00 0.00 C ATOM 639 CD1 LEU A 38 11.314 8.487 0.030 1.00 0.00 C ATOM 640 CD2 LEU A 38 12.991 9.487 1.606 1.00 0.00 C ATOM 641 H LEU A 38 14.649 6.286 -0.306 1.00 0.00 H ATOM 642 HA LEU A 38 14.710 7.477 2.289 1.00 0.00 H ATOM 643 1HB LEU A 38 12.468 6.242 0.664 1.00 0.00 H ATOM 644 2HB LEU A 38 12.207 7.038 2.219 1.00 0.00 H ATOM 645 HG LEU A 38 13.427 8.411 -0.199 1.00 0.00 H ATOM 646 1HD1 LEU A 38 11.218 9.447 -0.478 1.00 0.00 H ATOM 647 2HD1 LEU A 38 11.148 7.681 -0.685 1.00 0.00 H ATOM 648 3HD1 LEU A 38 10.574 8.424 0.827 1.00 0.00 H ATOM 649 1HD2 LEU A 38 12.896 10.447 1.098 1.00 0.00 H ATOM 650 2HD2 LEU A 38 12.275 9.439 2.427 1.00 0.00 H ATOM 651 3HD2 LEU A 38 14.002 9.383 2.000 1.00 0.00 H ATOM 652 N ARG A 39 14.032 4.249 2.181 1.00 0.00 N ATOM 653 CA ARG A 39 13.993 3.033 2.986 1.00 0.00 C ATOM 654 C ARG A 39 15.354 2.736 3.601 1.00 0.00 C ATOM 655 O ARG A 39 15.445 2.306 4.751 1.00 0.00 O ATOM 656 CB ARG A 39 13.551 1.847 2.142 1.00 0.00 C ATOM 657 CG ARG A 39 12.148 1.958 1.566 1.00 0.00 C ATOM 658 CD ARG A 39 11.109 1.768 2.610 1.00 0.00 C ATOM 659 NE ARG A 39 10.693 3.032 3.197 1.00 0.00 N ATOM 660 CZ ARG A 39 9.900 3.934 2.587 1.00 0.00 C ATOM 661 NH1 ARG A 39 9.448 3.699 1.375 1.00 0.00 N ATOM 662 NH2 ARG A 39 9.577 5.056 3.206 1.00 0.00 N ATOM 663 H ARG A 39 13.925 4.180 1.180 1.00 0.00 H ATOM 664 HA ARG A 39 13.269 3.174 3.789 1.00 0.00 H ATOM 665 1HB ARG A 39 14.240 1.717 1.308 1.00 0.00 H ATOM 666 2HB ARG A 39 13.590 0.938 2.743 1.00 0.00 H ATOM 667 1HG ARG A 39 12.014 2.946 1.124 1.00 0.00 H ATOM 668 2HG ARG A 39 12.008 1.196 0.799 1.00 0.00 H ATOM 669 1HD ARG A 39 10.234 1.292 2.170 1.00 0.00 H ATOM 670 2HD ARG A 39 11.504 1.137 3.405 1.00 0.00 H ATOM 671 HE ARG A 39 11.021 3.248 4.129 1.00 0.00 H ATOM 672 1HH1 ARG A 39 9.694 2.841 0.901 1.00 0.00 H ATOM 673 2HH1 ARG A 39 8.854 4.375 0.918 1.00 0.00 H ATOM 674 1HH2 ARG A 39 9.925 5.237 4.138 1.00 0.00 H ATOM 675 2HH2 ARG A 39 8.984 5.732 2.749 1.00 0.00 H ATOM 676 N TRP A 40 16.410 2.967 2.829 1.00 0.00 N ATOM 677 CA TRP A 40 17.772 2.848 3.338 1.00 0.00 C ATOM 678 C TRP A 40 18.022 3.828 4.476 1.00 0.00 C ATOM 679 O TRP A 40 18.628 3.476 5.488 1.00 0.00 O ATOM 680 CB TRP A 40 18.783 3.093 2.216 1.00 0.00 C ATOM 681 CG TRP A 40 20.187 3.279 2.707 1.00 0.00 C ATOM 682 CD1 TRP A 40 21.075 2.296 3.028 1.00 0.00 C ATOM 683 CD2 TRP A 40 20.876 4.532 2.936 1.00 0.00 C ATOM 684 NE1 TRP A 40 22.263 2.848 3.440 1.00 0.00 N ATOM 685 CE2 TRP A 40 22.159 4.215 3.389 1.00 0.00 C ATOM 686 CE3 TRP A 40 20.511 5.877 2.795 1.00 0.00 C ATOM 687 CZ2 TRP A 40 23.087 5.194 3.706 1.00 0.00 C ATOM 688 CZ3 TRP A 40 21.442 6.858 3.112 1.00 0.00 C ATOM 689 CH2 TRP A 40 22.697 6.525 3.555 1.00 0.00 C ATOM 690 H TRP A 40 16.267 3.232 1.865 1.00 0.00 H ATOM 691 HA TRP A 40 17.913 1.833 3.712 1.00 0.00 H ATOM 692 1HB TRP A 40 18.771 2.251 1.524 1.00 0.00 H ATOM 693 2HB TRP A 40 18.496 3.982 1.655 1.00 0.00 H ATOM 694 HD1 TRP A 40 20.872 1.228 2.966 1.00 0.00 H ATOM 695 HE1 TRP A 40 23.080 2.333 3.734 1.00 0.00 H ATOM 696 HE3 TRP A 40 19.517 6.147 2.441 1.00 0.00 H ATOM 697 HZ2 TRP A 40 24.089 4.950 4.060 1.00 0.00 H ATOM 698 HZ3 TRP A 40 21.150 7.903 3.000 1.00 0.00 H ATOM 699 HH2 TRP A 40 23.404 7.320 3.794 1.00 0.00 H ATOM 700 N LEU A 41 17.552 5.059 4.305 1.00 0.00 N ATOM 701 CA LEU A 41 17.721 6.092 5.320 1.00 0.00 C ATOM 702 C LEU A 41 17.032 5.702 6.621 1.00 0.00 C ATOM 703 O LEU A 41 17.575 5.903 7.708 1.00 0.00 O ATOM 704 CB LEU A 41 17.159 7.427 4.816 1.00 0.00 C ATOM 705 CG LEU A 41 17.317 8.618 5.771 1.00 0.00 C ATOM 706 CD1 LEU A 41 18.796 8.922 5.964 1.00 0.00 C ATOM 707 CD2 LEU A 41 16.580 9.823 5.206 1.00 0.00 C ATOM 708 H LEU A 41 17.067 5.285 3.448 1.00 0.00 H ATOM 709 HA LEU A 41 18.787 6.216 5.513 1.00 0.00 H ATOM 710 1HB LEU A 41 17.658 7.683 3.883 1.00 0.00 H ATOM 711 2HB LEU A 41 16.096 7.303 4.614 1.00 0.00 H ATOM 712 HG LEU A 41 16.899 8.361 6.745 1.00 0.00 H ATOM 713 1HD1 LEU A 41 18.908 9.768 6.643 1.00 0.00 H ATOM 714 2HD1 LEU A 41 19.295 8.050 6.387 1.00 0.00 H ATOM 715 3HD1 LEU A 41 19.246 9.167 5.003 1.00 0.00 H ATOM 716 1HD2 LEU A 41 16.691 10.669 5.885 1.00 0.00 H ATOM 717 2HD2 LEU A 41 16.998 10.081 4.233 1.00 0.00 H ATOM 718 3HD2 LEU A 41 15.522 9.583 5.095 1.00 0.00 H ATOM 719 N GLU A 42 15.831 5.144 6.505 1.00 0.00 N ATOM 720 CA GLU A 42 15.069 4.717 7.671 1.00 0.00 C ATOM 721 C GLU A 42 15.751 3.554 8.380 1.00 0.00 C ATOM 722 O GLU A 42 15.758 3.483 9.610 1.00 0.00 O ATOM 723 CB GLU A 42 13.649 4.316 7.263 1.00 0.00 C ATOM 724 CG GLU A 42 12.768 5.479 6.828 1.00 0.00 C ATOM 725 CD GLU A 42 11.463 5.032 6.232 1.00 0.00 C ATOM 726 OE1 GLU A 42 11.256 3.847 6.122 1.00 0.00 O ATOM 727 OE2 GLU A 42 10.671 5.876 5.885 1.00 0.00 O ATOM 728 H GLU A 42 15.437 5.013 5.584 1.00 0.00 H ATOM 729 HA GLU A 42 14.997 5.556 8.364 1.00 0.00 H ATOM 730 1HB GLU A 42 13.695 3.604 6.439 1.00 0.00 H ATOM 731 2HB GLU A 42 13.157 3.818 8.099 1.00 0.00 H ATOM 732 1HG GLU A 42 12.563 6.109 7.692 1.00 0.00 H ATOM 733 2HG GLU A 42 13.310 6.077 6.097 1.00 0.00 H ATOM 734 N LYS A 43 16.323 2.646 7.599 1.00 0.00 N ATOM 735 CA LYS A 43 16.960 1.454 8.148 1.00 0.00 C ATOM 736 C LYS A 43 17.968 1.817 9.230 1.00 0.00 C ATOM 737 O LYS A 43 18.573 2.889 9.194 1.00 0.00 O ATOM 738 OXT LYS A 43 18.183 1.053 10.130 1.00 0.00 O ATOM 739 CB LYS A 43 17.645 0.653 7.039 1.00 0.00 C ATOM 740 CG LYS A 43 18.267 -0.657 7.502 1.00 0.00 C ATOM 741 CD LYS A 43 18.855 -1.433 6.333 1.00 0.00 C ATOM 742 CE LYS A 43 19.459 -2.753 6.791 1.00 0.00 C ATOM 743 NZ LYS A 43 20.038 -3.523 5.657 1.00 0.00 N ATOM 744 H LYS A 43 16.319 2.784 6.598 1.00 0.00 H ATOM 745 HA LYS A 43 16.188 0.821 8.587 1.00 0.00 H ATOM 746 1HB LYS A 43 16.921 0.422 6.257 1.00 0.00 H ATOM 747 2HB LYS A 43 18.433 1.257 6.588 1.00 0.00 H ATOM 748 1HG LYS A 43 19.057 -0.450 8.225 1.00 0.00 H ATOM 749 2HG LYS A 43 17.507 -1.269 7.987 1.00 0.00 H ATOM 750 1HD LYS A 43 18.074 -1.636 5.600 1.00 0.00 H ATOM 751 2HD LYS A 43 19.632 -0.836 5.855 1.00 0.00 H ATOM 752 1HE LYS A 43 20.243 -2.559 7.521 1.00 0.00 H ATOM 753 2HE LYS A 43 18.689 -3.358 7.269 1.00 0.00 H ATOM 754 1HZ LYS A 43 20.427 -4.389 6.002 1.00 0.00 H ATOM 755 2HZ LYS A 43 19.314 -3.724 4.982 1.00 0.00 H ATOM 756 3HZ LYS A 43 20.767 -2.979 5.218 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE start01_0092_0002.pdb label fa_atr fa_rep fa_sol fa_intra_atr_xover4 fa_intra_rep_xover4 fa_intra_sol_xover4 lk_ball lk_ball_iso lk_ball_bridge lk_ball_bridge_uncpl fa_elec fa_intra_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun_dev fa_dun_rot fa_dun_semi p_aa_pp hxl_tors ref rama_prepro gen_bonded total weights 1 0.55 1 1 0.55 1 0.92 -0.38 -0.33 -0.33 1 1 1.25 1 1 1 1 1.25 0.48 0.69 0.76 0.78 0.61 1 1 0.5 1 NA pose -223.635 21.085 185.65 -19.8342 8.19689 15.5575 92.2711 -97.8098 -0.63305 -4.15904 -79.595 -13.8552 0 -25.79 -6.06661 -3.3823 -12.4489 0 1.62375 4.02004 22.4247 50.7456 -7.16054 5.19363 -32.3991 -1.34288 0 -121.343 SER:NtermProteinFull_1 -2.73538 0.16037 3.46028 -0.03299 0.0007 0.02429 1.21009 -1.45382 -4e-05 -0.00023 -1.76831 -1.11325 0 0 0 0 0 0 -0.02524 0.00033 0.53606 0 0 0.6049 -0.77834 0 0 -1.9106 GLU_2 -3.21312 0.2045 3.91491 -0.46671 0.31031 1.47359 1.56794 -1.73279 -0.02802 -0.14544 -1.55603 -2.99056 0 0 0 0 0 0 -0.05685 0.03369 0 4.02127 -0.30776 0 -2.7348 -0.2353 0 -1.94119 GLU_3 -5.16459 0.19715 5.24045 -0.21744 0.02894 0.30336 1.81678 -2.45988 -0.06336 -0.44636 -1.28658 -0.59867 0 0 0 0 0 0 -0.05769 0.00767 0 3.01881 -0.33287 0 -2.7348 -0.46987 0 -3.21893 ASP_4 -4.79474 0.43935 6.63082 -0.11172 0.01611 0.34433 2.42799 -2.86362 -0.01566 -0.10054 -2.51254 -0.12317 0 0 0 0 -0.48449 0 0.21197 0.01837 0 1.93987 0.05149 0 -2.3716 -0.24439 0 -1.54218 LYS_5 -3.84864 0.09007 4.71599 -0.30523 0.02821 0.13556 1.94856 -2.1275 -0.01238 -0.13811 -1.54551 -0.01038 0 0 0 0 0 0 0.04633 0.00509 1.75212 0 -0.00376 0 -1.5107 -0.12445 0 -0.90474 GLU_6 -6.77838 0.48657 8.30561 -0.21316 0.03619 0.30744 4.20965 -3.72744 -0.01842 -0.1544 -4.72303 -0.58148 0 0 0 0 -1.63274 0 -0.02297 0.08995 0 3.10634 -0.12037 0 -2.7348 -0.13855 0 -4.30399 ARG_7 -8.41692 1.00293 9.06591 -1.10293 0.57816 0.83668 4.47016 -4.23558 -0.03301 -0.2503 -5.32938 0.4688 0 0 0 0 -1.53336 0 -0.01465 0.08014 2.19413 0 -0.08734 0 -1.2888 0.41817 0 -3.17717 GLU_8 -5.05058 0.29764 6.32283 -0.21506 0.02463 0.29045 2.27384 -2.82469 -0.04488 -0.31876 -1.69602 -0.58224 0 0 0 0 0 0 -0.00701 0.0778 0 2.99849 -0.26711 0 -2.7348 0.23585 0 -1.2196 HIS_9 -6.55219 0.67549 6.75193 -0.65137 0.01003 0.68501 3.28276 -3.31189 -0 -0 -2.66869 -0.23861 0 0 0 0 -0.61408 0 -0.0204 0.24651 0 1.70686 -0.07253 0 -0.45461 -0.04189 0 -1.26767 TRP_10 -9.34607 1.14872 4.0746 -0.93646 0.07378 0.32512 2.77647 -3.01639 -0.03066 -0.16463 -2.54443 -0.41807 0 0 0 0 0 0 0.35558 0.07038 0 1.62805 0.12263 0 1.6906 0.04525 0 -4.14554 GLU_11 -5.01497 0.41086 5.75112 -0.21565 0.02847 0.30612 1.82908 -2.60286 -0.0216 -0.15981 -0.92837 -0.60145 0 0 0 0 0 0 0.22627 0.12491 0 3.01936 -0.30846 0 -2.7348 -0.35684 0 -1.24862 ARG_12 -5.14647 0.59165 6.07845 -0.76481 0.21766 0.49114 2.2878 -2.776 -0.03121 -0.21454 -1.50736 0.44032 0 0 0 0 -0.61408 0 0.0045 0.27747 1.46203 0 -0.05688 0 -1.2888 -0.24741 0 -0.79654 LEU_13 -6.49915 0.68335 4.09217 -0.50232 0.48419 0.11959 1.40878 -2.28029 -0 -0 -0.23432 0.2503 0 0 0 0 0 0 0.49982 0.1017 0.35223 0 -0.27723 0 0.18072 -0.0126 0 -1.63307 ASN_14 -2.24663 0.17062 2.98122 -0.38438 0.09043 0.77897 1.03442 -1.36062 -0 -0 -0.67286 -0.87665 0 0 0 0 0 0 -0.06247 7e-05 0 1.65507 -1.04725 0 -0.93687 -0.2109 0 -1.08785 ARG_15 -3.83172 0.24153 3.07216 -0.62174 0.11642 0.41873 0.47717 -1.43098 -0.03066 -0.16463 0.29565 0.25466 0 0 0 0 0 0 0.00559 0.08059 2.49568 0 -0.24825 0 -1.2888 -0.41722 0 -0.57584 ASP_16 -2.18825 0.09357 2.82458 -0.1095 0.02261 0.30922 0.63315 -1.18901 -0.02354 -0.12879 -2.12126 -0.26286 0 0 0 0 -0.40955 0 -0.02144 0.01649 0 2.00303 0.0522 0 -2.3716 -0.42231 0 -3.29327 PHE_17 -7.10869 1.00631 1.56289 -0.83069 0.04425 0.15212 2.24877 -1.91687 -0.00602 -0.02143 -1.464 -0.53648 0 0 0 0 0 0 -0.05528 0.10556 0 2.73579 -0.10423 0 1.0402 -0.318 0 -3.46581 GLU_18 -3.81329 0.17562 2.94999 -0.32332 0.06004 0.4221 0.96619 -1.46648 -0.0138 -0.04819 -1.853 -0.37118 0 0 0 0 -0.91125 0 0.07475 0.02834 0 3.1086 0.35906 0 -2.7348 0.0537 0 -3.33693 LEU_19 -7.20731 0.8152 2.14081 -0.62647 0.32915 0.17327 2.17679 -1.98845 -0.01488 -0.04923 -2.27924 0.28812 0 0 0 0 0 0 -0.02643 0.27459 0.73357 0 -0.24775 0 0.18072 0.13572 0 -5.19182 ARG_20 -3.37557 0.18989 3.0339 -0.45385 0.06116 0.25908 0.90362 -1.39576 -0.00413 -0.01499 -1.97605 0.09717 0 0 0 0 -0.91125 0 0.04297 0.005 2.42164 0 0.18493 0 -1.2888 0.06591 0 -2.15516 VAL_21 -4.91799 0.8151 2.14982 -0.27703 0.20183 0.06286 2.01178 -1.69296 -0.03998 -0.29886 -1.6873 -0.38512 0 0 0 0 0 0 0.11884 0.01463 0.21142 0 -0.6418 0 1.9342 0.02266 0 -2.39788 LEU_22 -2.08616 0.48763 1.62963 -0.45971 0.40659 0.07413 0.66082 -0.8605 -0 -0 0.3574 0.18304 0 0 0 0 0 0 -0.19179 0.07517 0.02858 0 1.02015 0 0.18072 1.28733 0 2.79304 ASP_23 -1.57484 0.21512 2.52928 -0.24639 0.04851 0.85639 0.84066 -1.06829 -0.03261 -0.25734 -0.18872 -2.65237 0 0 0 0 0 0 -0.06018 0.22213 0 2.56233 -0.29779 0 -2.3716 1.13924 0 -0.33646 THR_24 -3.82334 0.26972 3.83185 -0.17382 0.11354 0.06206 2.39462 -1.99449 -0.03526 -0.26189 -1.94561 -0.26837 0 0 0 0 0 0 -0.06015 0.01132 0.17205 0 -0.16672 2.29857 -1.0874 -0.22032 0 -0.88365 THR_25 -3.53029 0.2417 1.19306 -0.17507 0.11676 0.06255 0.4734 -1.08528 -0.01014 -0.03301 -0.29172 -0.13069 0 0 0 0 0 0 -0.03378 0.01261 0.13885 0 -0.12146 2.29016 -1.0874 -0.02303 0 -1.99278 PHE_26 -7.56783 0.86306 1.86282 -0.61572 0.09312 0.34858 2.23143 -2.0399 -0.01788 -0.06039 -2.40125 0.10291 0 0 0 0 0 0 -0.06614 0.22577 0 2.26263 -0.17416 0 1.0402 -0.08299 0 -3.99573 ILE_27 -3.79847 0.33693 1.08279 -0.64949 1.05084 0.12377 0.38691 -1.19098 -0.00943 -0.02977 -0.42834 0.42438 0 0 0 0 0 0 -0.0029 0.03321 0.94816 0 -0.77273 0 0.73287 -0.37274 0 -2.135 ALA_28 -4.97493 0.66692 2.28625 -0.02373 0 0 2.4085 -1.97722 -0.0245 -0.13236 -1.88721 -0.36126 0 0 0 0 0 0 0.01275 0 0 0 0.37283 0 1.8394 -0.16471 0 -1.95927 HIS_D_29 -3.00057 0.13894 3.39898 -0.40305 0.02323 0.53102 1.09618 -1.59044 -0 -0 -3.07718 -0.3334 0 0 0 -0.54046 -0.40955 0 -0.0523 0.00865 0 1.57883 -0.45555 0 -0.45461 0.03739 0 -3.50389 HIS_30 -5.19768 0.49922 6.04254 -0.48271 0.03364 0.32702 3.42761 -2.83408 -0.01738 -0.12217 -2.24049 -1.16099 0 0 0 -1.1507 0 0 0.30895 0.07267 0 2.08271 -0.3951 0 -0.45461 -0.10508 0 -1.36664 ALA_31 -5.35207 0.51737 3.02905 -0.02214 0 0 1.99082 -2.11278 -0 -0 -0.99527 -0.3702 0 0 0 0 0 0 -0.05123 0 0 0 -0.36983 0 1.8394 -0.0414 0 -1.93828 GLU_32 -5.46528 0.36986 6.66947 -0.63711 0.18305 1.18002 3.31115 -2.84501 -0 -0 -3.72069 -0.67559 0 0 0 -1.1507 -1.04887 0 0.11839 0.03068 0 3.37175 -0.26864 0 -2.7348 -0.24163 0 -3.55394 GLU_33 -6.26541 0.42103 6.73473 -0.21826 0.0414 0.32178 3.23559 -3.13146 -0.01738 -0.12217 -3.02848 -0.61112 0 0 0 -0.54046 0 0 -0.00308 0.08923 0 3.00511 -0.2906 0 -2.7348 -0.42746 0 -3.54182 VAL_34 -8.94981 1.91637 3.45567 -0.31008 0.26297 0.07063 2.97035 -2.98547 -0 -0 -2.41701 -0.08623 0 0 0 0 0 0 -0.0402 0.02487 0.11553 0 -0.28808 0 1.9342 -0.14112 0 -4.46742 ILE_35 -8.96052 0.82549 6.04313 -0.51643 0.62388 0.10259 3.61618 -3.46113 -0 -0 -2.3777 0.08727 0 0 0 0 0 0 0.05389 0.05376 0.65376 0 -0.32584 0 0.73287 0.33453 0 -2.51427 LYS_36 -4.94592 0.25795 5.48353 -0.30493 0.02719 0.13323 2.38934 -2.45714 -0 -0 -2.19162 0.0095 0 0 0 0 0 0 -0.01677 0.01815 1.72098 0 0.00775 0 -1.5107 0.23047 0 -1.14901 LEU_37 -7.98118 0.65834 4.07766 -0.50963 0.65544 0.12253 2.99876 -2.80738 -0 -0 -2.19884 0.25668 0 0 0 0 0 0 -0.03441 0.06329 0.39409 0 -0.26925 0 0.18072 -0.03113 0 -4.42429 LEU_38 -7.3457 0.59903 5.81546 -0.50241 0.53491 0.1177 3.04274 -3.1166 -0 -0 -1.93094 0.26143 0 0 0 0 0 0 0.06678 0.05415 0.48821 0 -0.24641 0 0.18072 0.06566 0 -1.91527 ARG_39 -7.22535 0.30432 9.56408 -1.48826 0.52421 1.31598 4.83163 -4.06136 -0.01811 -0.16033 -6.0512 0.26371 0 0 0 0 -2.75619 0 0.5128 0.58207 3.04578 0 -0.09346 0 -1.2888 0.00842 0 -2.19007 TRP_40 -6.91351 0.69491 3.38234 -1.33294 0.07845 0.57976 2.25767 -2.38255 -0 -1e-05 -0.35716 -0.38654 0 0 0 0 0 0 -0.00423 0.53623 0 1.88216 -0.12461 0 1.6906 -0.04313 0 -0.44258 LEU_41 -5.36141 0.48111 3.13684 -0.70167 0.48682 0.26282 1.79926 -2.08453 -0 -0 -0.57568 0.1405 0 0 0 0 0 0 0.00087 0.1401 0.99984 0 -0.2539 0 0.18072 0.0967 0 -1.25158 GLU_42 -3.81874 0.24817 5.73413 -0.21764 0.03758 0.32104 2.27093 -2.37165 -0.01811 -0.16033 -1.88647 -0.6189 0 0 0 0 -1.12345 0 -0.04971 0.10305 0 3.05855 -0.29382 0 -2.7348 -0.15777 0 -1.67795 LYS:CtermProteinFull_43 -2.24531 0.17533 3.5467 -0.48007 0.09149 0.42492 1.67475 -1.4977 -0 -1e-05 0.29781 -0.03818 0 0 0 0 0 0 0 0.00366 1.55998 0 0 0 -1.5107 -0.22762 0 1.77504 #END_POSE_ENERGIES_TABLE start01_0092_0002.pdb score_per_res -2.82193 total_score -121.343
HEEH_KT_rd6_3632.pdb
ATOM 1 N ASP A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA ASP A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C ASP A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O ASP A 1 1.251 2.390 -0.035 1.00 0.00 O ATOM 5 CB ASP A 1 1.994 -0.762 -1.214 1.00 0.00 C ATOM 6 CG ASP A 1 1.637 -2.242 -1.191 1.00 0.00 C ATOM 7 OD1 ASP A 1 1.225 -2.717 -0.159 1.00 0.00 O ATOM 8 OD2 ASP A 1 1.780 -2.883 -2.204 1.00 0.00 O ATOM 9 1H ASP A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 10 2H ASP A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 11 3H ASP A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 12 HA ASP A 1 1.804 -0.509 0.900 1.00 0.00 H ATOM 13 1HB ASP A 1 1.593 -0.321 -2.127 1.00 0.00 H ATOM 14 2HB ASP A 1 3.080 -0.665 -1.254 1.00 0.00 H ATOM 15 N ALA A 2 3.331 1.536 0.039 1.00 0.00 N ATOM 16 CA ALA A 2 3.983 2.834 0.166 1.00 0.00 C ATOM 17 C ALA A 2 3.685 3.720 -1.037 1.00 0.00 C ATOM 18 O ALA A 2 3.462 4.922 -0.895 1.00 0.00 O ATOM 19 CB ALA A 2 5.485 2.659 0.335 1.00 0.00 C ATOM 20 H ALA A 2 3.901 0.704 -0.020 1.00 0.00 H ATOM 21 HA ALA A 2 3.606 3.325 1.064 1.00 0.00 H ATOM 22 1HB ALA A 2 5.958 3.637 0.428 1.00 0.00 H ATOM 23 2HB ALA A 2 5.685 2.072 1.232 1.00 0.00 H ATOM 24 3HB ALA A 2 5.891 2.142 -0.534 1.00 0.00 H ATOM 25 N GLU A 3 3.683 3.119 -2.222 1.00 0.00 N ATOM 26 CA GLU A 3 3.519 3.869 -3.461 1.00 0.00 C ATOM 27 C GLU A 3 2.144 4.523 -3.531 1.00 0.00 C ATOM 28 O GLU A 3 2.012 5.664 -3.972 1.00 0.00 O ATOM 29 CB GLU A 3 3.721 2.952 -4.670 1.00 0.00 C ATOM 30 CG GLU A 3 5.139 2.425 -4.830 1.00 0.00 C ATOM 31 CD GLU A 3 5.458 1.305 -3.878 1.00 0.00 C ATOM 32 OE1 GLU A 3 4.567 0.858 -3.197 1.00 0.00 O ATOM 33 OE2 GLU A 3 6.594 0.896 -3.833 1.00 0.00 O ATOM 34 H GLU A 3 3.799 2.117 -2.266 1.00 0.00 H ATOM 35 HA GLU A 3 4.280 4.649 -3.497 1.00 0.00 H ATOM 36 1HB GLU A 3 3.052 2.095 -4.592 1.00 0.00 H ATOM 37 2HB GLU A 3 3.459 3.490 -5.582 1.00 0.00 H ATOM 38 1HG GLU A 3 5.270 2.068 -5.851 1.00 0.00 H ATOM 39 2HG GLU A 3 5.840 3.243 -4.668 1.00 0.00 H ATOM 40 N GLU A 4 1.125 3.793 -3.092 1.00 0.00 N ATOM 41 CA GLU A 4 -0.240 4.308 -3.089 1.00 0.00 C ATOM 42 C GLU A 4 -0.392 5.460 -2.103 1.00 0.00 C ATOM 43 O GLU A 4 -1.059 6.452 -2.391 1.00 0.00 O ATOM 44 CB GLU A 4 -1.230 3.193 -2.742 1.00 0.00 C ATOM 45 CG GLU A 4 -1.357 2.112 -3.805 1.00 0.00 C ATOM 46 CD GLU A 4 -2.140 0.918 -3.335 1.00 0.00 C ATOM 47 OE1 GLU A 4 -2.421 0.840 -2.163 1.00 0.00 O ATOM 48 OE2 GLU A 4 -2.459 0.084 -4.149 1.00 0.00 O ATOM 49 H GLU A 4 1.299 2.859 -2.753 1.00 0.00 H ATOM 50 HA GLU A 4 -0.475 4.672 -4.090 1.00 0.00 H ATOM 51 1HB GLU A 4 -0.926 2.714 -1.811 1.00 0.00 H ATOM 52 2HB GLU A 4 -2.219 3.622 -2.581 1.00 0.00 H ATOM 53 1HG GLU A 4 -1.850 2.534 -4.681 1.00 0.00 H ATOM 54 2HG GLU A 4 -0.359 1.791 -4.103 1.00 0.00 H ATOM 55 N LEU A 5 0.232 5.320 -0.938 1.00 0.00 N ATOM 56 CA LEU A 5 0.192 6.361 0.082 1.00 0.00 C ATOM 57 C LEU A 5 0.917 7.617 -0.386 1.00 0.00 C ATOM 58 O LEU A 5 0.482 8.735 -0.110 1.00 0.00 O ATOM 59 CB LEU A 5 0.824 5.853 1.384 1.00 0.00 C ATOM 60 CG LEU A 5 0.052 4.743 2.109 1.00 0.00 C ATOM 61 CD1 LEU A 5 0.947 4.107 3.163 1.00 0.00 C ATOM 62 CD2 LEU A 5 -1.205 5.327 2.738 1.00 0.00 C ATOM 63 H LEU A 5 0.746 4.471 -0.754 1.00 0.00 H ATOM 64 HA LEU A 5 -0.850 6.613 0.280 1.00 0.00 H ATOM 65 1HB LEU A 5 1.819 5.472 1.161 1.00 0.00 H ATOM 66 2HB LEU A 5 0.924 6.691 2.072 1.00 0.00 H ATOM 67 HG LEU A 5 -0.227 3.967 1.395 1.00 0.00 H ATOM 68 1HD1 LEU A 5 0.398 3.318 3.679 1.00 0.00 H ATOM 69 2HD1 LEU A 5 1.828 3.680 2.683 1.00 0.00 H ATOM 70 3HD1 LEU A 5 1.255 4.863 3.883 1.00 0.00 H ATOM 71 1HD2 LEU A 5 -1.754 4.539 3.253 1.00 0.00 H ATOM 72 2HD2 LEU A 5 -0.927 6.102 3.453 1.00 0.00 H ATOM 73 3HD2 LEU A 5 -1.834 5.760 1.960 1.00 0.00 H ATOM 74 N ILE A 6 2.025 7.425 -1.093 1.00 0.00 N ATOM 75 CA ILE A 6 2.782 8.542 -1.647 1.00 0.00 C ATOM 76 C ILE A 6 1.951 9.328 -2.650 1.00 0.00 C ATOM 77 O ILE A 6 1.946 10.560 -2.639 1.00 0.00 O ATOM 78 CB ILE A 6 4.073 8.048 -2.324 1.00 0.00 C ATOM 79 CG1 ILE A 6 5.071 7.550 -1.275 1.00 0.00 C ATOM 80 CG2 ILE A 6 4.690 9.155 -3.166 1.00 0.00 C ATOM 81 CD1 ILE A 6 6.202 6.728 -1.849 1.00 0.00 C ATOM 82 H ILE A 6 2.352 6.483 -1.251 1.00 0.00 H ATOM 83 HA ILE A 6 3.066 9.207 -0.830 1.00 0.00 H ATOM 84 HB ILE A 6 3.844 7.199 -2.969 1.00 0.00 H ATOM 85 1HG1 ILE A 6 5.500 8.401 -0.749 1.00 0.00 H ATOM 86 2HG1 ILE A 6 4.548 6.940 -0.537 1.00 0.00 H ATOM 87 1HG2 ILE A 6 5.601 8.788 -3.637 1.00 0.00 H ATOM 88 2HG2 ILE A 6 3.983 9.463 -3.935 1.00 0.00 H ATOM 89 3HG2 ILE A 6 4.928 10.006 -2.529 1.00 0.00 H ATOM 90 1HD1 ILE A 6 6.866 6.411 -1.045 1.00 0.00 H ATOM 91 2HD1 ILE A 6 5.795 5.849 -2.351 1.00 0.00 H ATOM 92 3HD1 ILE A 6 6.761 7.329 -2.565 1.00 0.00 H ATOM 93 N GLU A 7 1.246 8.610 -3.519 1.00 0.00 N ATOM 94 CA GLU A 7 0.374 9.240 -4.505 1.00 0.00 C ATOM 95 C GLU A 7 -0.663 10.130 -3.833 1.00 0.00 C ATOM 96 O GLU A 7 -0.939 11.237 -4.297 1.00 0.00 O ATOM 97 CB GLU A 7 -0.326 8.177 -5.355 1.00 0.00 C ATOM 98 CG GLU A 7 -1.269 8.737 -6.410 1.00 0.00 C ATOM 99 CD GLU A 7 -1.914 7.667 -7.246 1.00 0.00 C ATOM 100 OE1 GLU A 7 -1.434 6.559 -7.232 1.00 0.00 O ATOM 101 OE2 GLU A 7 -2.888 7.957 -7.899 1.00 0.00 O ATOM 102 H GLU A 7 1.316 7.603 -3.496 1.00 0.00 H ATOM 103 HA GLU A 7 0.986 9.853 -5.166 1.00 0.00 H ATOM 104 1HB GLU A 7 0.421 7.568 -5.863 1.00 0.00 H ATOM 105 2HB GLU A 7 -0.903 7.516 -4.708 1.00 0.00 H ATOM 106 1HG GLU A 7 -2.049 9.315 -5.916 1.00 0.00 H ATOM 107 2HG GLU A 7 -0.711 9.411 -7.059 1.00 0.00 H ATOM 108 N LEU A 8 -1.237 9.641 -2.739 1.00 0.00 N ATOM 109 CA LEU A 8 -2.256 10.386 -2.009 1.00 0.00 C ATOM 110 C LEU A 8 -1.693 11.690 -1.458 1.00 0.00 C ATOM 111 O LEU A 8 -2.372 12.718 -1.458 1.00 0.00 O ATOM 112 CB LEU A 8 -2.813 9.535 -0.860 1.00 0.00 C ATOM 113 CG LEU A 8 -3.653 8.322 -1.278 1.00 0.00 C ATOM 114 CD1 LEU A 8 -3.930 7.451 -0.060 1.00 0.00 C ATOM 115 CD2 LEU A 8 -4.949 8.797 -1.917 1.00 0.00 C ATOM 116 H LEU A 8 -0.960 8.729 -2.404 1.00 0.00 H ATOM 117 HA LEU A 8 -3.072 10.619 -2.693 1.00 0.00 H ATOM 118 1HB LEU A 8 -1.979 9.171 -0.262 1.00 0.00 H ATOM 119 2HB LEU A 8 -3.437 10.169 -0.230 1.00 0.00 H ATOM 120 HG LEU A 8 -3.093 7.721 -1.996 1.00 0.00 H ATOM 121 1HD1 LEU A 8 -4.526 6.589 -0.357 1.00 0.00 H ATOM 122 2HD1 LEU A 8 -2.986 7.110 0.366 1.00 0.00 H ATOM 123 3HD1 LEU A 8 -4.475 8.031 0.684 1.00 0.00 H ATOM 124 1HD2 LEU A 8 -5.546 7.934 -2.215 1.00 0.00 H ATOM 125 2HD2 LEU A 8 -5.510 9.396 -1.199 1.00 0.00 H ATOM 126 3HD2 LEU A 8 -4.722 9.401 -2.795 1.00 0.00 H ATOM 127 N VAL A 9 -0.452 11.642 -0.988 1.00 0.00 N ATOM 128 CA VAL A 9 0.213 12.827 -0.458 1.00 0.00 C ATOM 129 C VAL A 9 0.464 13.854 -1.555 1.00 0.00 C ATOM 130 O VAL A 9 0.210 15.045 -1.373 1.00 0.00 O ATOM 131 CB VAL A 9 1.553 12.441 0.196 1.00 0.00 C ATOM 132 CG1 VAL A 9 2.340 13.687 0.574 1.00 0.00 C ATOM 133 CG2 VAL A 9 1.302 11.571 1.418 1.00 0.00 C ATOM 134 H VAL A 9 0.045 10.762 -0.997 1.00 0.00 H ATOM 135 HA VAL A 9 -0.429 13.274 0.300 1.00 0.00 H ATOM 136 HB VAL A 9 2.154 11.889 -0.527 1.00 0.00 H ATOM 137 1HG1 VAL A 9 3.285 13.396 1.034 1.00 0.00 H ATOM 138 2HG1 VAL A 9 2.540 14.277 -0.321 1.00 0.00 H ATOM 139 3HG1 VAL A 9 1.762 14.283 1.280 1.00 0.00 H ATOM 140 1HG2 VAL A 9 2.254 11.301 1.874 1.00 0.00 H ATOM 141 2HG2 VAL A 9 0.696 12.121 2.138 1.00 0.00 H ATOM 142 3HG2 VAL A 9 0.774 10.665 1.117 1.00 0.00 H ATOM 143 N GLU A 10 0.963 13.387 -2.694 1.00 0.00 N ATOM 144 CA GLU A 10 1.241 14.263 -3.826 1.00 0.00 C ATOM 145 C GLU A 10 -0.027 14.953 -4.312 1.00 0.00 C ATOM 146 O GLU A 10 -0.013 16.141 -4.638 1.00 0.00 O ATOM 147 CB GLU A 10 1.872 13.470 -4.972 1.00 0.00 C ATOM 148 CG GLU A 10 3.293 12.997 -4.701 1.00 0.00 C ATOM 149 CD GLU A 10 3.847 12.144 -5.809 1.00 0.00 C ATOM 150 OE1 GLU A 10 3.118 11.843 -6.723 1.00 0.00 O ATOM 151 OE2 GLU A 10 5.002 11.794 -5.741 1.00 0.00 O ATOM 152 H GLU A 10 1.154 12.398 -2.779 1.00 0.00 H ATOM 153 HA GLU A 10 1.953 15.024 -3.507 1.00 0.00 H ATOM 154 1HB GLU A 10 1.263 12.592 -5.187 1.00 0.00 H ATOM 155 2HB GLU A 10 1.890 14.084 -5.873 1.00 0.00 H ATOM 156 1HG GLU A 10 3.936 13.867 -4.572 1.00 0.00 H ATOM 157 2HG GLU A 10 3.305 12.429 -3.772 1.00 0.00 H ATOM 158 N ARG A 11 -1.123 14.204 -4.359 1.00 0.00 N ATOM 159 CA ARG A 11 -2.408 14.749 -4.778 1.00 0.00 C ATOM 160 C ARG A 11 -2.908 15.800 -3.795 1.00 0.00 C ATOM 161 O ARG A 11 -3.366 16.870 -4.195 1.00 0.00 O ATOM 162 CB ARG A 11 -3.444 13.642 -4.903 1.00 0.00 C ATOM 163 CG ARG A 11 -3.269 12.737 -6.112 1.00 0.00 C ATOM 164 CD ARG A 11 -4.310 11.678 -6.160 1.00 0.00 C ATOM 165 NE ARG A 11 -4.129 10.790 -7.297 1.00 0.00 N ATOM 166 CZ ARG A 11 -4.560 11.050 -8.546 1.00 0.00 C ATOM 167 NH1 ARG A 11 -5.194 12.172 -8.803 1.00 0.00 N ATOM 168 NH2 ARG A 11 -4.345 10.176 -9.514 1.00 0.00 N ATOM 169 H ARG A 11 -1.064 13.230 -4.097 1.00 0.00 H ATOM 170 HA ARG A 11 -2.282 15.217 -5.756 1.00 0.00 H ATOM 171 1HB ARG A 11 -3.414 13.015 -4.014 1.00 0.00 H ATOM 172 2HB ARG A 11 -4.440 14.081 -4.961 1.00 0.00 H ATOM 173 1HG ARG A 11 -3.341 13.329 -7.024 1.00 0.00 H ATOM 174 2HG ARG A 11 -2.292 12.255 -6.068 1.00 0.00 H ATOM 175 1HD ARG A 11 -4.263 11.080 -5.250 1.00 0.00 H ATOM 176 2HD ARG A 11 -5.294 12.139 -6.240 1.00 0.00 H ATOM 177 HE ARG A 11 -3.645 9.916 -7.138 1.00 0.00 H ATOM 178 1HH1 ARG A 11 -5.358 12.840 -8.063 1.00 0.00 H ATOM 179 2HH1 ARG A 11 -5.516 12.367 -9.740 1.00 0.00 H ATOM 180 1HH2 ARG A 11 -3.858 9.312 -9.317 1.00 0.00 H ATOM 181 2HH2 ARG A 11 -4.668 10.370 -10.450 1.00 0.00 H ATOM 182 N ALA A 12 -2.818 15.488 -2.507 1.00 0.00 N ATOM 183 CA ALA A 12 -3.294 16.389 -1.464 1.00 0.00 C ATOM 184 C ALA A 12 -2.552 17.719 -1.505 1.00 0.00 C ATOM 185 O ALA A 12 -3.155 18.782 -1.357 1.00 0.00 O ATOM 186 CB ALA A 12 -3.146 15.742 -0.095 1.00 0.00 C ATOM 187 H ALA A 12 -2.408 14.602 -2.242 1.00 0.00 H ATOM 188 HA ALA A 12 -4.356 16.576 -1.628 1.00 0.00 H ATOM 189 1HB ALA A 12 -3.506 16.428 0.672 1.00 0.00 H ATOM 190 2HB ALA A 12 -3.730 14.822 -0.062 1.00 0.00 H ATOM 191 3HB ALA A 12 -2.097 15.513 0.087 1.00 0.00 H ATOM 192 N LEU A 13 -1.240 17.652 -1.706 1.00 0.00 N ATOM 193 CA LEU A 13 -0.407 18.849 -1.729 1.00 0.00 C ATOM 194 C LEU A 13 -0.712 19.708 -2.949 1.00 0.00 C ATOM 195 O LEU A 13 -0.752 20.936 -2.862 1.00 0.00 O ATOM 196 CB LEU A 13 1.077 18.461 -1.726 1.00 0.00 C ATOM 197 CG LEU A 13 1.596 17.826 -0.430 1.00 0.00 C ATOM 198 CD1 LEU A 13 2.981 17.239 -0.670 1.00 0.00 C ATOM 199 CD2 LEU A 13 1.631 18.875 0.672 1.00 0.00 C ATOM 200 H LEU A 13 -0.809 16.750 -1.846 1.00 0.00 H ATOM 201 HA LEU A 13 -0.614 19.432 -0.830 1.00 0.00 H ATOM 202 1HB LEU A 13 1.253 17.754 -2.535 1.00 0.00 H ATOM 203 2HB LEU A 13 1.670 19.355 -1.918 1.00 0.00 H ATOM 204 HG LEU A 13 0.935 17.011 -0.134 1.00 0.00 H ATOM 205 1HD1 LEU A 13 3.349 16.787 0.251 1.00 0.00 H ATOM 206 2HD1 LEU A 13 2.923 16.478 -1.449 1.00 0.00 H ATOM 207 3HD1 LEU A 13 3.661 18.030 -0.984 1.00 0.00 H ATOM 208 1HD2 LEU A 13 1.999 18.423 1.593 1.00 0.00 H ATOM 209 2HD2 LEU A 13 2.293 19.690 0.377 1.00 0.00 H ATOM 210 3HD2 LEU A 13 0.626 19.264 0.835 1.00 0.00 H ATOM 211 N LYS A 14 -0.926 19.056 -4.088 1.00 0.00 N ATOM 212 CA LYS A 14 -1.246 19.759 -5.324 1.00 0.00 C ATOM 213 C LYS A 14 -2.630 20.390 -5.256 1.00 0.00 C ATOM 214 O LYS A 14 -2.837 21.509 -5.724 1.00 0.00 O ATOM 215 CB LYS A 14 -1.159 18.808 -6.518 1.00 0.00 C ATOM 216 CG LYS A 14 0.260 18.407 -6.901 1.00 0.00 C ATOM 217 CD LYS A 14 0.261 17.416 -8.055 1.00 0.00 C ATOM 218 CE LYS A 14 1.677 16.994 -8.421 1.00 0.00 C ATOM 219 NZ LYS A 14 1.692 16.007 -9.535 1.00 0.00 N ATOM 220 H LYS A 14 -0.864 18.049 -4.096 1.00 0.00 H ATOM 221 HA LYS A 14 -0.509 20.549 -5.474 1.00 0.00 H ATOM 222 1HB LYS A 14 -1.717 17.897 -6.300 1.00 0.00 H ATOM 223 2HB LYS A 14 -1.621 19.274 -7.389 1.00 0.00 H ATOM 224 1HG LYS A 14 0.822 19.295 -7.195 1.00 0.00 H ATOM 225 2HG LYS A 14 0.753 17.953 -6.043 1.00 0.00 H ATOM 226 1HD LYS A 14 -0.312 16.531 -7.776 1.00 0.00 H ATOM 227 2HD LYS A 14 -0.208 17.872 -8.927 1.00 0.00 H ATOM 228 1HE LYS A 14 2.251 17.869 -8.720 1.00 0.00 H ATOM 229 2HE LYS A 14 2.160 16.549 -7.552 1.00 0.00 H ATOM 230 1HZ LYS A 14 2.647 15.753 -9.747 1.00 0.00 H ATOM 231 2HZ LYS A 14 1.177 15.182 -9.262 1.00 0.00 H ATOM 232 3HZ LYS A 14 1.264 16.415 -10.353 1.00 0.00 H ATOM 233 N GLU A 15 -3.578 19.664 -4.670 1.00 0.00 N ATOM 234 CA GLU A 15 -4.940 20.162 -4.520 1.00 0.00 C ATOM 235 C GLU A 15 -5.002 21.303 -3.514 1.00 0.00 C ATOM 236 O GLU A 15 -5.786 22.239 -3.670 1.00 0.00 O ATOM 237 CB GLU A 15 -5.876 19.032 -4.083 1.00 0.00 C ATOM 238 CG GLU A 15 -6.158 17.996 -5.162 1.00 0.00 C ATOM 239 CD GLU A 15 -7.005 16.856 -4.671 1.00 0.00 C ATOM 240 OE1 GLU A 15 -7.407 16.886 -3.533 1.00 0.00 O ATOM 241 OE2 GLU A 15 -7.252 15.953 -5.436 1.00 0.00 O ATOM 242 H GLU A 15 -3.348 18.746 -4.321 1.00 0.00 H ATOM 243 HA GLU A 15 -5.283 20.529 -5.488 1.00 0.00 H ATOM 244 1HB GLU A 15 -5.445 18.514 -3.227 1.00 0.00 H ATOM 245 2HB GLU A 15 -6.830 19.452 -3.765 1.00 0.00 H ATOM 246 1HG GLU A 15 -6.669 18.482 -5.993 1.00 0.00 H ATOM 247 2HG GLU A 15 -5.211 17.606 -5.533 1.00 0.00 H ATOM 248 N GLY A 16 -4.172 21.220 -2.481 1.00 0.00 N ATOM 249 CA GLY A 16 -4.092 22.272 -1.475 1.00 0.00 C ATOM 250 C GLY A 16 -4.893 21.907 -0.231 1.00 0.00 C ATOM 251 O GLY A 16 -5.450 22.777 0.438 1.00 0.00 O ATOM 252 H GLY A 16 -3.579 20.407 -2.389 1.00 0.00 H ATOM 253 1HA GLY A 16 -3.049 22.439 -1.204 1.00 0.00 H ATOM 254 2HA GLY A 16 -4.468 23.205 -1.893 1.00 0.00 H ATOM 255 N ARG A 17 -4.947 20.614 0.073 1.00 0.00 N ATOM 256 CA ARG A 17 -5.667 20.133 1.246 1.00 0.00 C ATOM 257 C ARG A 17 -4.743 19.362 2.180 1.00 0.00 C ATOM 258 O ARG A 17 -3.681 18.893 1.772 1.00 0.00 O ATOM 259 CB ARG A 17 -6.827 19.238 0.833 1.00 0.00 C ATOM 260 CG ARG A 17 -6.423 17.949 0.135 1.00 0.00 C ATOM 261 CD ARG A 17 -7.603 17.106 -0.186 1.00 0.00 C ATOM 262 NE ARG A 17 -7.232 15.916 -0.935 1.00 0.00 N ATOM 263 CZ ARG A 17 -6.823 14.759 -0.380 1.00 0.00 C ATOM 264 NH1 ARG A 17 -6.739 14.651 0.928 1.00 0.00 N ATOM 265 NH2 ARG A 17 -6.507 13.732 -1.149 1.00 0.00 N ATOM 266 H ARG A 17 -4.478 19.948 -0.524 1.00 0.00 H ATOM 267 HA ARG A 17 -6.068 20.993 1.783 1.00 0.00 H ATOM 268 1HB ARG A 17 -7.408 18.968 1.713 1.00 0.00 H ATOM 269 2HB ARG A 17 -7.486 19.786 0.160 1.00 0.00 H ATOM 270 1HG ARG A 17 -5.907 18.186 -0.796 1.00 0.00 H ATOM 271 2HG ARG A 17 -5.758 17.377 0.782 1.00 0.00 H ATOM 272 1HD ARG A 17 -8.086 16.790 0.738 1.00 0.00 H ATOM 273 2HD ARG A 17 -8.308 17.680 -0.786 1.00 0.00 H ATOM 274 HE ARG A 17 -7.283 15.961 -1.945 1.00 0.00 H ATOM 275 1HH1 ARG A 17 -6.981 15.436 1.516 1.00 0.00 H ATOM 276 2HH1 ARG A 17 -6.433 13.784 1.344 1.00 0.00 H ATOM 277 1HH2 ARG A 17 -6.572 13.815 -2.155 1.00 0.00 H ATOM 278 2HH2 ARG A 17 -6.201 12.865 -0.733 1.00 0.00 H ATOM 279 N GLU A 18 -5.154 19.233 3.437 1.00 0.00 N ATOM 280 CA GLU A 18 -4.406 18.447 4.411 1.00 0.00 C ATOM 281 C GLU A 18 -4.791 16.974 4.341 1.00 0.00 C ATOM 282 O GLU A 18 -5.947 16.636 4.087 1.00 0.00 O ATOM 283 CB GLU A 18 -4.647 18.980 5.825 1.00 0.00 C ATOM 284 CG GLU A 18 -4.199 20.419 6.038 1.00 0.00 C ATOM 285 CD GLU A 18 -4.422 20.899 7.445 1.00 0.00 C ATOM 286 OE1 GLU A 18 -4.963 20.155 8.228 1.00 0.00 O ATOM 287 OE2 GLU A 18 -4.052 22.012 7.738 1.00 0.00 O ATOM 288 H GLU A 18 -6.006 19.693 3.726 1.00 0.00 H ATOM 289 HA GLU A 18 -3.343 18.541 4.190 1.00 0.00 H ATOM 290 1HB GLU A 18 -5.710 18.923 6.060 1.00 0.00 H ATOM 291 2HB GLU A 18 -4.118 18.355 6.545 1.00 0.00 H ATOM 292 1HG GLU A 18 -3.137 20.497 5.805 1.00 0.00 H ATOM 293 2HG GLU A 18 -4.742 21.064 5.349 1.00 0.00 H ATOM 294 N ILE A 19 -3.815 16.101 4.567 1.00 0.00 N ATOM 295 CA ILE A 19 -4.057 14.663 4.565 1.00 0.00 C ATOM 296 C ILE A 19 -3.401 13.993 5.764 1.00 0.00 C ATOM 297 O ILE A 19 -2.315 14.388 6.191 1.00 0.00 O ATOM 298 CB ILE A 19 -3.534 14.020 3.267 1.00 0.00 C ATOM 299 CG1 ILE A 19 -4.005 12.567 3.164 1.00 0.00 C ATOM 300 CG2 ILE A 19 -2.016 14.097 3.210 1.00 0.00 C ATOM 301 CD1 ILE A 19 -3.846 11.970 1.785 1.00 0.00 C ATOM 302 H ILE A 19 -2.882 16.443 4.744 1.00 0.00 H ATOM 303 HA ILE A 19 -5.133 14.494 4.615 1.00 0.00 H ATOM 304 HB ILE A 19 -3.948 14.547 2.408 1.00 0.00 H ATOM 305 1HG1 ILE A 19 -3.446 11.953 3.869 1.00 0.00 H ATOM 306 2HG1 ILE A 19 -5.058 12.505 3.442 1.00 0.00 H ATOM 307 1HG2 ILE A 19 -1.664 13.637 2.287 1.00 0.00 H ATOM 308 2HG2 ILE A 19 -1.704 15.139 3.238 1.00 0.00 H ATOM 309 3HG2 ILE A 19 -1.593 13.567 4.063 1.00 0.00 H ATOM 310 1HD1 ILE A 19 -4.201 10.939 1.791 1.00 0.00 H ATOM 311 2HD1 ILE A 19 -4.427 12.550 1.067 1.00 0.00 H ATOM 312 3HD1 ILE A 19 -2.795 11.989 1.500 1.00 0.00 H ATOM 313 N ILE A 20 -4.064 12.976 6.304 1.00 0.00 N ATOM 314 CA ILE A 20 -3.505 12.192 7.398 1.00 0.00 C ATOM 315 C ILE A 20 -3.399 10.719 7.022 1.00 0.00 C ATOM 316 O ILE A 20 -4.400 10.076 6.703 1.00 0.00 O ATOM 317 CB ILE A 20 -4.359 12.337 8.671 1.00 0.00 C ATOM 318 CG1 ILE A 20 -4.452 13.808 9.086 1.00 0.00 C ATOM 319 CG2 ILE A 20 -3.779 11.498 9.799 1.00 0.00 C ATOM 320 CD1 ILE A 20 -5.502 14.080 10.139 1.00 0.00 C ATOM 321 H ILE A 20 -4.979 12.741 5.947 1.00 0.00 H ATOM 322 HA ILE A 20 -2.506 12.568 7.619 1.00 0.00 H ATOM 323 HB ILE A 20 -5.375 12.002 8.467 1.00 0.00 H ATOM 324 1HG1 ILE A 20 -3.488 14.139 9.471 1.00 0.00 H ATOM 325 2HG1 ILE A 20 -4.682 14.419 8.212 1.00 0.00 H ATOM 326 1HG2 ILE A 20 -4.394 11.613 10.691 1.00 0.00 H ATOM 327 2HG2 ILE A 20 -3.763 10.451 9.502 1.00 0.00 H ATOM 328 3HG2 ILE A 20 -2.763 11.830 10.014 1.00 0.00 H ATOM 329 1HD1 ILE A 20 -5.508 15.143 10.381 1.00 0.00 H ATOM 330 2HD1 ILE A 20 -6.482 13.788 9.761 1.00 0.00 H ATOM 331 3HD1 ILE A 20 -5.273 13.506 11.037 1.00 0.00 H ATOM 332 N LEU A 21 -2.181 10.189 7.061 1.00 0.00 N ATOM 333 CA LEU A 21 -1.937 8.801 6.687 1.00 0.00 C ATOM 334 C LEU A 21 -1.199 8.056 7.790 1.00 0.00 C ATOM 335 O LEU A 21 -0.095 8.437 8.181 1.00 0.00 O ATOM 336 CB LEU A 21 -1.126 8.737 5.387 1.00 0.00 C ATOM 337 CG LEU A 21 -1.768 9.411 4.168 1.00 0.00 C ATOM 338 CD1 LEU A 21 -0.766 9.452 3.022 1.00 0.00 C ATOM 339 CD2 LEU A 21 -3.023 8.648 3.769 1.00 0.00 C ATOM 340 H LEU A 21 -1.405 10.763 7.358 1.00 0.00 H ATOM 341 HA LEU A 21 -2.898 8.314 6.517 1.00 0.00 H ATOM 342 1HB LEU A 21 -0.160 9.211 5.556 1.00 0.00 H ATOM 343 2HB LEU A 21 -0.954 7.691 5.135 1.00 0.00 H ATOM 344 HG LEU A 21 -2.032 10.439 4.417 1.00 0.00 H ATOM 345 1HD1 LEU A 21 -1.222 9.930 2.156 1.00 0.00 H ATOM 346 2HD1 LEU A 21 0.113 10.019 3.328 1.00 0.00 H ATOM 347 3HD1 LEU A 21 -0.470 8.436 2.761 1.00 0.00 H ATOM 348 1HD2 LEU A 21 -3.481 9.128 2.903 1.00 0.00 H ATOM 349 2HD2 LEU A 21 -2.760 7.620 3.518 1.00 0.00 H ATOM 350 3HD2 LEU A 21 -3.729 8.650 4.599 1.00 0.00 H ATOM 351 N LEU A 22 -1.814 6.989 8.290 1.00 0.00 N ATOM 352 CA LEU A 22 -1.203 6.171 9.331 1.00 0.00 C ATOM 353 C LEU A 22 -0.864 7.005 10.560 1.00 0.00 C ATOM 354 O LEU A 22 0.105 6.723 11.264 1.00 0.00 O ATOM 355 CB LEU A 22 0.066 5.495 8.798 1.00 0.00 C ATOM 356 CG LEU A 22 -0.102 4.691 7.503 1.00 0.00 C ATOM 357 CD1 LEU A 22 1.242 4.109 7.087 1.00 0.00 C ATOM 358 CD2 LEU A 22 -1.131 3.590 7.719 1.00 0.00 C ATOM 359 H LEU A 22 -2.727 6.739 7.940 1.00 0.00 H ATOM 360 HA LEU A 22 -1.914 5.400 9.626 1.00 0.00 H ATOM 361 1HB LEU A 22 0.817 6.262 8.616 1.00 0.00 H ATOM 362 2HB LEU A 22 0.446 4.817 9.562 1.00 0.00 H ATOM 363 HG LEU A 22 -0.441 5.352 6.705 1.00 0.00 H ATOM 364 1HD1 LEU A 22 1.123 3.538 6.167 1.00 0.00 H ATOM 365 2HD1 LEU A 22 1.953 4.919 6.921 1.00 0.00 H ATOM 366 3HD1 LEU A 22 1.615 3.455 7.875 1.00 0.00 H ATOM 367 1HD2 LEU A 22 -1.251 3.019 6.798 1.00 0.00 H ATOM 368 2HD2 LEU A 22 -0.793 2.927 8.516 1.00 0.00 H ATOM 369 3HD2 LEU A 22 -2.086 4.035 7.997 1.00 0.00 H ATOM 370 N GLY A 23 -1.666 8.033 10.811 1.00 0.00 N ATOM 371 CA GLY A 23 -1.510 8.854 12.006 1.00 0.00 C ATOM 372 C GLY A 23 -0.604 10.050 11.739 1.00 0.00 C ATOM 373 O GLY A 23 -0.465 10.936 12.582 1.00 0.00 O ATOM 374 H GLY A 23 -2.404 8.253 10.157 1.00 0.00 H ATOM 375 1HA GLY A 23 -2.488 9.202 12.339 1.00 0.00 H ATOM 376 2HA GLY A 23 -1.093 8.249 12.810 1.00 0.00 H ATOM 377 N VAL A 24 0.012 10.067 10.561 1.00 0.00 N ATOM 378 CA VAL A 24 0.923 11.143 10.190 1.00 0.00 C ATOM 379 C VAL A 24 0.186 12.265 9.470 1.00 0.00 C ATOM 380 O VAL A 24 -0.357 12.067 8.382 1.00 0.00 O ATOM 381 CB VAL A 24 2.045 10.604 9.282 1.00 0.00 C ATOM 382 CG1 VAL A 24 2.985 11.728 8.872 1.00 0.00 C ATOM 383 CG2 VAL A 24 2.805 9.499 9.999 1.00 0.00 C ATOM 384 H VAL A 24 -0.156 9.317 9.906 1.00 0.00 H ATOM 385 HA VAL A 24 1.371 11.546 11.099 1.00 0.00 H ATOM 386 HB VAL A 24 1.601 10.207 8.368 1.00 0.00 H ATOM 387 1HG1 VAL A 24 3.771 11.329 8.231 1.00 0.00 H ATOM 388 2HG1 VAL A 24 2.426 12.490 8.329 1.00 0.00 H ATOM 389 3HG1 VAL A 24 3.433 12.170 9.762 1.00 0.00 H ATOM 390 1HG2 VAL A 24 3.596 9.122 9.351 1.00 0.00 H ATOM 391 2HG2 VAL A 24 3.244 9.895 10.915 1.00 0.00 H ATOM 392 3HG2 VAL A 24 2.121 8.687 10.245 1.00 0.00 H ATOM 393 N ARG A 25 0.171 13.444 10.082 1.00 0.00 N ATOM 394 CA ARG A 25 -0.549 14.586 9.529 1.00 0.00 C ATOM 395 C ARG A 25 0.355 15.429 8.639 1.00 0.00 C ATOM 396 O ARG A 25 1.379 15.945 9.088 1.00 0.00 O ATOM 397 CB ARG A 25 -1.112 15.455 10.644 1.00 0.00 C ATOM 398 CG ARG A 25 -1.930 16.647 10.175 1.00 0.00 C ATOM 399 CD ARG A 25 -2.451 17.440 11.318 1.00 0.00 C ATOM 400 NE ARG A 25 -3.282 18.548 10.875 1.00 0.00 N ATOM 401 CZ ARG A 25 -3.712 19.547 11.670 1.00 0.00 C ATOM 402 NH1 ARG A 25 -3.381 19.563 12.943 1.00 0.00 N ATOM 403 NH2 ARG A 25 -4.465 20.511 11.171 1.00 0.00 N ATOM 404 H ARG A 25 0.671 13.552 10.952 1.00 0.00 H ATOM 405 HA ARG A 25 -1.380 14.212 8.930 1.00 0.00 H ATOM 406 1HB ARG A 25 -1.749 14.851 11.289 1.00 0.00 H ATOM 407 2HB ARG A 25 -0.294 15.836 11.256 1.00 0.00 H ATOM 408 1HG ARG A 25 -1.306 17.298 9.562 1.00 0.00 H ATOM 409 2HG ARG A 25 -2.779 16.297 9.586 1.00 0.00 H ATOM 410 1HD ARG A 25 -3.052 16.799 11.962 1.00 0.00 H ATOM 411 2HD ARG A 25 -1.616 17.846 11.888 1.00 0.00 H ATOM 412 HE ARG A 25 -3.556 18.570 9.902 1.00 0.00 H ATOM 413 1HH1 ARG A 25 -2.805 18.826 13.324 1.00 0.00 H ATOM 414 2HH1 ARG A 25 -3.704 20.312 13.539 1.00 0.00 H ATOM 415 1HH2 ARG A 25 -4.719 20.499 10.193 1.00 0.00 H ATOM 416 2HH2 ARG A 25 -4.787 21.260 11.767 1.00 0.00 H ATOM 417 N ILE A 26 -0.030 15.565 7.374 1.00 0.00 N ATOM 418 CA ILE A 26 0.767 16.313 6.409 1.00 0.00 C ATOM 419 C ILE A 26 0.076 17.614 6.017 1.00 0.00 C ATOM 420 O ILE A 26 -0.978 17.602 5.381 1.00 0.00 O ATOM 421 CB ILE A 26 1.033 15.472 5.147 1.00 0.00 C ATOM 422 CG1 ILE A 26 1.810 14.203 5.506 1.00 0.00 C ATOM 423 CG2 ILE A 26 1.792 16.290 4.113 1.00 0.00 C ATOM 424 CD1 ILE A 26 1.770 13.138 4.433 1.00 0.00 C ATOM 425 H ILE A 26 -0.895 15.138 7.074 1.00 0.00 H ATOM 426 HA ILE A 26 1.729 16.551 6.863 1.00 0.00 H ATOM 427 HB ILE A 26 0.085 15.150 4.717 1.00 0.00 H ATOM 428 1HG1 ILE A 26 2.852 14.456 5.696 1.00 0.00 H ATOM 429 2HG1 ILE A 26 1.405 13.775 6.424 1.00 0.00 H ATOM 430 1HG2 ILE A 26 1.972 15.680 3.228 1.00 0.00 H ATOM 431 2HG2 ILE A 26 1.203 17.164 3.837 1.00 0.00 H ATOM 432 3HG2 ILE A 26 2.745 16.612 4.532 1.00 0.00 H ATOM 433 1HD1 ILE A 26 2.342 12.270 4.760 1.00 0.00 H ATOM 434 2HD1 ILE A 26 0.736 12.844 4.251 1.00 0.00 H ATOM 435 3HD1 ILE A 26 2.203 13.532 3.514 1.00 0.00 H ATOM 436 N THR A 27 0.678 18.735 6.399 1.00 0.00 N ATOM 437 CA THR A 27 0.092 20.045 6.144 1.00 0.00 C ATOM 438 C THR A 27 0.971 20.870 5.214 1.00 0.00 C ATOM 439 O THR A 27 0.621 21.991 4.845 1.00 0.00 O ATOM 440 CB THR A 27 -0.138 20.815 7.457 1.00 0.00 C ATOM 441 OG1 THR A 27 1.124 21.096 8.076 1.00 0.00 O ATOM 442 CG2 THR A 27 -0.995 19.998 8.411 1.00 0.00 C ATOM 443 H THR A 27 1.566 18.678 6.879 1.00 0.00 H ATOM 444 HA THR A 27 -0.881 19.902 5.670 1.00 0.00 H ATOM 445 HB THR A 27 -0.640 21.758 7.243 1.00 0.00 H ATOM 446 HG1 THR A 27 1.486 21.907 7.710 1.00 0.00 H ATOM 447 1HG2 THR A 27 -1.148 20.558 9.334 1.00 0.00 H ATOM 448 2HG2 THR A 27 -1.960 19.792 7.948 1.00 0.00 H ATOM 449 3HG2 THR A 27 -0.494 19.057 8.637 1.00 0.00 H ATOM 450 N SER A 28 2.116 20.310 4.839 1.00 0.00 N ATOM 451 CA SER A 28 3.119 21.050 4.082 1.00 0.00 C ATOM 452 C SER A 28 3.914 20.126 3.170 1.00 0.00 C ATOM 453 O SER A 28 3.888 18.905 3.330 1.00 0.00 O ATOM 454 CB SER A 28 4.059 21.771 5.028 1.00 0.00 C ATOM 455 OG SER A 28 4.847 20.860 5.745 1.00 0.00 O ATOM 456 H SER A 28 2.296 19.346 5.082 1.00 0.00 H ATOM 457 HA SER A 28 2.611 21.795 3.469 1.00 0.00 H ATOM 458 1HB SER A 28 4.702 22.444 4.461 1.00 0.00 H ATOM 459 2HB SER A 28 3.481 22.379 5.722 1.00 0.00 H ATOM 460 HG SER A 28 5.301 21.374 6.417 1.00 0.00 H ATOM 461 N GLU A 29 4.622 20.713 2.212 1.00 0.00 N ATOM 462 CA GLU A 29 5.465 19.947 1.301 1.00 0.00 C ATOM 463 C GLU A 29 6.587 19.242 2.053 1.00 0.00 C ATOM 464 O GLU A 29 6.974 18.125 1.707 1.00 0.00 O ATOM 465 CB GLU A 29 6.055 20.859 0.224 1.00 0.00 C ATOM 466 CG GLU A 29 5.022 21.494 -0.697 1.00 0.00 C ATOM 467 CD GLU A 29 4.354 22.694 -0.086 1.00 0.00 C ATOM 468 OE1 GLU A 29 4.688 23.037 1.023 1.00 0.00 O ATOM 469 OE2 GLU A 29 3.507 23.269 -0.729 1.00 0.00 O ATOM 470 H GLU A 29 4.575 21.717 2.110 1.00 0.00 H ATOM 471 HA GLU A 29 4.849 19.195 0.808 1.00 0.00 H ATOM 472 1HB GLU A 29 6.620 21.662 0.696 1.00 0.00 H ATOM 473 2HB GLU A 29 6.749 20.290 -0.395 1.00 0.00 H ATOM 474 1HG GLU A 29 5.512 21.797 -1.621 1.00 0.00 H ATOM 475 2HG GLU A 29 4.266 20.750 -0.945 1.00 0.00 H ATOM 476 N GLU A 30 7.108 19.900 3.083 1.00 0.00 N ATOM 477 CA GLU A 30 8.191 19.341 3.882 1.00 0.00 C ATOM 478 C GLU A 30 7.727 18.118 4.662 1.00 0.00 C ATOM 479 O GLU A 30 8.440 17.119 4.752 1.00 0.00 O ATOM 480 CB GLU A 30 8.741 20.394 4.846 1.00 0.00 C ATOM 481 CG GLU A 30 9.476 21.543 4.170 1.00 0.00 C ATOM 482 CD GLU A 30 10.704 21.097 3.428 1.00 0.00 C ATOM 483 OE1 GLU A 30 11.434 20.292 3.956 1.00 0.00 O ATOM 484 OE2 GLU A 30 10.914 21.561 2.332 1.00 0.00 O ATOM 485 H GLU A 30 6.743 20.812 3.319 1.00 0.00 H ATOM 486 HA GLU A 30 8.997 19.042 3.210 1.00 0.00 H ATOM 487 1HB GLU A 30 7.923 20.817 5.429 1.00 0.00 H ATOM 488 2HB GLU A 30 9.431 19.922 5.545 1.00 0.00 H ATOM 489 1HG GLU A 30 8.799 22.030 3.469 1.00 0.00 H ATOM 490 2HG GLU A 30 9.759 22.274 4.926 1.00 0.00 H ATOM 491 N ALA A 31 6.525 18.201 5.223 1.00 0.00 N ATOM 492 CA ALA A 31 5.913 17.062 5.896 1.00 0.00 C ATOM 493 C ALA A 31 5.639 15.927 4.919 1.00 0.00 C ATOM 494 O ALA A 31 5.779 14.753 5.262 1.00 0.00 O ATOM 495 CB ALA A 31 4.626 17.485 6.589 1.00 0.00 C ATOM 496 H ALA A 31 6.024 19.078 5.183 1.00 0.00 H ATOM 497 HA ALA A 31 6.598 16.705 6.665 1.00 0.00 H ATOM 498 1HB ALA A 31 4.181 16.624 7.087 1.00 0.00 H ATOM 499 2HB ALA A 31 4.847 18.256 7.327 1.00 0.00 H ATOM 500 3HB ALA A 31 3.928 17.878 5.852 1.00 0.00 H ATOM 501 N GLY A 32 5.250 16.284 3.699 1.00 0.00 N ATOM 502 CA GLY A 32 5.041 15.300 2.644 1.00 0.00 C ATOM 503 C GLY A 32 6.327 14.549 2.327 1.00 0.00 C ATOM 504 O GLY A 32 6.347 13.319 2.290 1.00 0.00 O ATOM 505 H GLY A 32 5.094 17.261 3.499 1.00 0.00 H ATOM 506 1HA GLY A 32 4.270 14.593 2.953 1.00 0.00 H ATOM 507 2HA GLY A 32 4.677 15.800 1.747 1.00 0.00 H ATOM 508 N LYS A 33 7.402 15.297 2.100 1.00 0.00 N ATOM 509 CA LYS A 33 8.692 14.704 1.772 1.00 0.00 C ATOM 510 C LYS A 33 9.152 13.746 2.863 1.00 0.00 C ATOM 511 O LYS A 33 9.687 12.674 2.578 1.00 0.00 O ATOM 512 CB LYS A 33 9.743 15.794 1.553 1.00 0.00 C ATOM 513 CG LYS A 33 9.614 16.534 0.228 1.00 0.00 C ATOM 514 CD LYS A 33 10.814 17.436 -0.020 1.00 0.00 C ATOM 515 CE LYS A 33 10.736 18.705 0.816 1.00 0.00 C ATOM 516 NZ LYS A 33 11.793 19.683 0.441 1.00 0.00 N ATOM 517 H LYS A 33 7.323 16.303 2.156 1.00 0.00 H ATOM 518 HA LYS A 33 8.591 14.148 0.839 1.00 0.00 H ATOM 519 1HB LYS A 33 9.677 16.529 2.355 1.00 0.00 H ATOM 520 2HB LYS A 33 10.739 15.353 1.594 1.00 0.00 H ATOM 521 1HG LYS A 33 9.537 15.813 -0.586 1.00 0.00 H ATOM 522 2HG LYS A 33 8.710 17.142 0.238 1.00 0.00 H ATOM 523 1HD LYS A 33 11.730 16.900 0.232 1.00 0.00 H ATOM 524 2HD LYS A 33 10.852 17.708 -1.074 1.00 0.00 H ATOM 525 1HE LYS A 33 9.762 19.171 0.679 1.00 0.00 H ATOM 526 2HE LYS A 33 10.849 18.454 1.870 1.00 0.00 H ATOM 527 1HZ LYS A 33 11.708 20.509 1.017 1.00 0.00 H ATOM 528 2HZ LYS A 33 12.703 19.267 0.583 1.00 0.00 H ATOM 529 3HZ LYS A 33 11.687 19.939 -0.530 1.00 0.00 H ATOM 530 N TRP A 34 8.940 14.137 4.115 1.00 0.00 N ATOM 531 CA TRP A 34 9.264 13.283 5.251 1.00 0.00 C ATOM 532 C TRP A 34 8.505 11.964 5.182 1.00 0.00 C ATOM 533 O TRP A 34 9.094 10.891 5.315 1.00 0.00 O ATOM 534 CB TRP A 34 8.937 13.995 6.565 1.00 0.00 C ATOM 535 CG TRP A 34 9.297 13.200 7.783 1.00 0.00 C ATOM 536 CD1 TRP A 34 10.474 13.246 8.468 1.00 0.00 C ATOM 537 CD2 TRP A 34 8.470 12.230 8.471 1.00 0.00 C ATOM 538 NE1 TRP A 34 10.438 12.375 9.529 1.00 0.00 N ATOM 539 CE2 TRP A 34 9.219 11.746 9.547 1.00 0.00 C ATOM 540 CE3 TRP A 34 7.174 11.742 8.263 1.00 0.00 C ATOM 541 CZ2 TRP A 34 8.719 10.791 10.419 1.00 0.00 C ATOM 542 CZ3 TRP A 34 6.672 10.786 9.138 1.00 0.00 C ATOM 543 CH2 TRP A 34 7.425 10.324 10.188 1.00 0.00 C ATOM 544 H TRP A 34 8.544 15.052 4.285 1.00 0.00 H ATOM 545 HA TRP A 34 10.334 13.072 5.231 1.00 0.00 H ATOM 546 1HB TRP A 34 9.470 14.945 6.606 1.00 0.00 H ATOM 547 2HB TRP A 34 7.870 14.216 6.603 1.00 0.00 H ATOM 548 HD1 TRP A 34 11.320 13.881 8.211 1.00 0.00 H ATOM 549 HE1 TRP A 34 11.187 12.221 10.189 1.00 0.00 H ATOM 550 HE3 TRP A 34 6.571 12.107 7.432 1.00 0.00 H ATOM 551 HZ2 TRP A 34 9.301 10.412 11.258 1.00 0.00 H ATOM 552 HZ3 TRP A 34 5.662 10.410 8.969 1.00 0.00 H ATOM 553 HH2 TRP A 34 7.000 9.574 10.856 1.00 0.00 H ATOM 554 N PHE A 35 7.196 12.051 4.973 1.00 0.00 N ATOM 555 CA PHE A 35 6.356 10.863 4.867 1.00 0.00 C ATOM 556 C PHE A 35 6.839 9.946 3.750 1.00 0.00 C ATOM 557 O PHE A 35 6.935 8.732 3.929 1.00 0.00 O ATOM 558 CB PHE A 35 4.900 11.259 4.615 1.00 0.00 C ATOM 559 CG PHE A 35 3.967 10.089 4.491 1.00 0.00 C ATOM 560 CD1 PHE A 35 3.349 9.554 5.612 1.00 0.00 C ATOM 561 CD2 PHE A 35 3.705 9.520 3.254 1.00 0.00 C ATOM 562 CE1 PHE A 35 2.490 8.477 5.498 1.00 0.00 C ATOM 563 CE2 PHE A 35 2.846 8.444 3.137 1.00 0.00 C ATOM 564 CZ PHE A 35 2.239 7.922 4.262 1.00 0.00 C ATOM 565 H PHE A 35 6.771 12.963 4.885 1.00 0.00 H ATOM 566 HA PHE A 35 6.405 10.320 5.811 1.00 0.00 H ATOM 567 1HB PHE A 35 4.549 11.890 5.431 1.00 0.00 H ATOM 568 2HB PHE A 35 4.836 11.844 3.699 1.00 0.00 H ATOM 569 HD1 PHE A 35 3.548 9.994 6.589 1.00 0.00 H ATOM 570 HD2 PHE A 35 4.185 9.932 2.366 1.00 0.00 H ATOM 571 HE1 PHE A 35 2.012 8.067 6.387 1.00 0.00 H ATOM 572 HE2 PHE A 35 2.648 8.007 2.159 1.00 0.00 H ATOM 573 HZ PHE A 35 1.563 7.073 4.172 1.00 0.00 H ATOM 574 N ILE A 36 7.143 10.534 2.598 1.00 0.00 N ATOM 575 CA ILE A 36 7.518 9.762 1.419 1.00 0.00 C ATOM 576 C ILE A 36 8.753 8.912 1.687 1.00 0.00 C ATOM 577 O ILE A 36 8.789 7.728 1.349 1.00 0.00 O ATOM 578 CB ILE A 36 7.783 10.687 0.217 1.00 0.00 C ATOM 579 CG1 ILE A 36 6.480 11.342 -0.249 1.00 0.00 C ATOM 580 CG2 ILE A 36 8.428 9.910 -0.920 1.00 0.00 C ATOM 581 CD1 ILE A 36 6.684 12.497 -1.203 1.00 0.00 C ATOM 582 H ILE A 36 7.114 11.542 2.537 1.00 0.00 H ATOM 583 HA ILE A 36 6.689 9.103 1.159 1.00 0.00 H ATOM 584 HB ILE A 36 8.450 11.493 0.519 1.00 0.00 H ATOM 585 1HG1 ILE A 36 5.855 10.598 -0.743 1.00 0.00 H ATOM 586 2HG1 ILE A 36 5.927 11.709 0.616 1.00 0.00 H ATOM 587 1HG2 ILE A 36 8.608 10.579 -1.761 1.00 0.00 H ATOM 588 2HG2 ILE A 36 9.375 9.491 -0.582 1.00 0.00 H ATOM 589 3HG2 ILE A 36 7.765 9.104 -1.233 1.00 0.00 H ATOM 590 1HD1 ILE A 36 5.716 12.909 -1.488 1.00 0.00 H ATOM 591 2HD1 ILE A 36 7.279 13.271 -0.715 1.00 0.00 H ATOM 592 3HD1 ILE A 36 7.205 12.146 -2.093 1.00 0.00 H ATOM 593 N GLU A 37 9.764 9.521 2.296 1.00 0.00 N ATOM 594 CA GLU A 37 10.970 8.801 2.687 1.00 0.00 C ATOM 595 C GLU A 37 10.689 7.834 3.831 1.00 0.00 C ATOM 596 O GLU A 37 11.200 6.715 3.849 1.00 0.00 O ATOM 597 CB GLU A 37 12.069 9.784 3.095 1.00 0.00 C ATOM 598 CG GLU A 37 12.646 10.597 1.944 1.00 0.00 C ATOM 599 CD GLU A 37 13.383 9.752 0.943 1.00 0.00 C ATOM 600 OE1 GLU A 37 14.070 8.845 1.351 1.00 0.00 O ATOM 601 OE2 GLU A 37 13.260 10.013 -0.230 1.00 0.00 O ATOM 602 H GLU A 37 9.695 10.509 2.495 1.00 0.00 H ATOM 603 HA GLU A 37 11.326 8.231 1.827 1.00 0.00 H ATOM 604 1HB GLU A 37 11.676 10.483 3.834 1.00 0.00 H ATOM 605 2HB GLU A 37 12.889 9.240 3.563 1.00 0.00 H ATOM 606 1HG GLU A 37 11.833 11.115 1.436 1.00 0.00 H ATOM 607 2HG GLU A 37 13.323 11.349 2.347 1.00 0.00 H ATOM 608 N TRP A 38 9.874 8.275 4.783 1.00 0.00 N ATOM 609 CA TRP A 38 9.553 7.464 5.952 1.00 0.00 C ATOM 610 C TRP A 38 8.789 6.207 5.558 1.00 0.00 C ATOM 611 O TRP A 38 9.117 5.106 6.000 1.00 0.00 O ATOM 612 CB TRP A 38 8.727 8.275 6.953 1.00 0.00 C ATOM 613 CG TRP A 38 8.166 7.451 8.071 1.00 0.00 C ATOM 614 CD1 TRP A 38 8.840 6.988 9.161 1.00 0.00 C ATOM 615 CD2 TRP A 38 6.802 6.986 8.216 1.00 0.00 C ATOM 616 NE1 TRP A 38 7.995 6.269 9.970 1.00 0.00 N ATOM 617 CE2 TRP A 38 6.744 6.259 9.408 1.00 0.00 C ATOM 618 CE3 TRP A 38 5.643 7.126 7.442 1.00 0.00 C ATOM 619 CZ2 TRP A 38 5.571 5.667 9.850 1.00 0.00 C ATOM 620 CZ3 TRP A 38 4.467 6.535 7.886 1.00 0.00 C ATOM 621 CH2 TRP A 38 4.432 5.825 9.060 1.00 0.00 C ATOM 622 H TRP A 38 9.466 9.195 4.695 1.00 0.00 H ATOM 623 HA TRP A 38 10.486 7.171 6.435 1.00 0.00 H ATOM 624 1HB TRP A 38 9.347 9.061 7.384 1.00 0.00 H ATOM 625 2HB TRP A 38 7.900 8.758 6.434 1.00 0.00 H ATOM 626 HD1 TRP A 38 9.896 7.163 9.361 1.00 0.00 H ATOM 627 HE1 TRP A 38 8.252 5.820 10.838 1.00 0.00 H ATOM 628 HE3 TRP A 38 5.665 7.691 6.511 1.00 0.00 H ATOM 629 HZ2 TRP A 38 5.523 5.099 10.780 1.00 0.00 H ATOM 630 HZ3 TRP A 38 3.570 6.648 7.277 1.00 0.00 H ATOM 631 HH2 TRP A 38 3.492 5.374 9.379 1.00 0.00 H ATOM 632 N ILE A 39 7.769 6.378 4.724 1.00 0.00 N ATOM 633 CA ILE A 39 6.851 5.291 4.404 1.00 0.00 C ATOM 634 C ILE A 39 7.536 4.220 3.565 1.00 0.00 C ATOM 635 O ILE A 39 7.217 3.036 3.671 1.00 0.00 O ATOM 636 CB ILE A 39 5.615 5.820 3.655 1.00 0.00 C ATOM 637 CG1 ILE A 39 4.502 4.768 3.652 1.00 0.00 C ATOM 638 CG2 ILE A 39 5.983 6.213 2.232 1.00 0.00 C ATOM 639 CD1 ILE A 39 3.899 4.514 5.014 1.00 0.00 C ATOM 640 H ILE A 39 7.627 7.283 4.300 1.00 0.00 H ATOM 641 HA ILE A 39 6.511 4.840 5.336 1.00 0.00 H ATOM 642 HB ILE A 39 5.221 6.693 4.173 1.00 0.00 H ATOM 643 1HG1 ILE A 39 3.706 5.083 2.979 1.00 0.00 H ATOM 644 2HG1 ILE A 39 4.895 3.824 3.273 1.00 0.00 H ATOM 645 1HG2 ILE A 39 5.098 6.584 1.717 1.00 0.00 H ATOM 646 2HG2 ILE A 39 6.742 6.994 2.256 1.00 0.00 H ATOM 647 3HG2 ILE A 39 6.374 5.343 1.704 1.00 0.00 H ATOM 648 1HD1 ILE A 39 3.118 3.757 4.931 1.00 0.00 H ATOM 649 2HD1 ILE A 39 4.674 4.163 5.696 1.00 0.00 H ATOM 650 3HD1 ILE A 39 3.468 5.437 5.399 1.00 0.00 H ATOM 651 N ARG A 40 8.479 4.643 2.730 1.00 0.00 N ATOM 652 CA ARG A 40 9.271 3.713 1.933 1.00 0.00 C ATOM 653 C ARG A 40 10.103 2.798 2.821 1.00 0.00 C ATOM 654 O ARG A 40 10.300 1.624 2.507 1.00 0.00 O ATOM 655 CB ARG A 40 10.190 4.467 0.984 1.00 0.00 C ATOM 656 CG ARG A 40 9.496 5.101 -0.211 1.00 0.00 C ATOM 657 CD ARG A 40 10.412 5.990 -0.971 1.00 0.00 C ATOM 658 NE ARG A 40 9.789 6.504 -2.180 1.00 0.00 N ATOM 659 CZ ARG A 40 10.241 7.560 -2.883 1.00 0.00 C ATOM 660 NH1 ARG A 40 11.317 8.203 -2.486 1.00 0.00 N ATOM 661 NH2 ARG A 40 9.603 7.951 -3.972 1.00 0.00 N ATOM 662 H ARG A 40 8.653 5.635 2.645 1.00 0.00 H ATOM 663 HA ARG A 40 8.591 3.101 1.339 1.00 0.00 H ATOM 664 1HB ARG A 40 10.701 5.261 1.528 1.00 0.00 H ATOM 665 2HB ARG A 40 10.953 3.790 0.601 1.00 0.00 H ATOM 666 1HG ARG A 40 9.142 4.319 -0.883 1.00 0.00 H ATOM 667 2HG ARG A 40 8.649 5.695 0.133 1.00 0.00 H ATOM 668 1HD ARG A 40 10.697 6.837 -0.347 1.00 0.00 H ATOM 669 2HD ARG A 40 11.304 5.434 -1.256 1.00 0.00 H ATOM 670 HE ARG A 40 8.959 6.035 -2.517 1.00 0.00 H ATOM 671 1HH1 ARG A 40 11.805 7.904 -1.653 1.00 0.00 H ATOM 672 2HH1 ARG A 40 11.656 8.995 -3.013 1.00 0.00 H ATOM 673 1HH2 ARG A 40 8.775 7.457 -4.278 1.00 0.00 H ATOM 674 2HH2 ARG A 40 9.941 8.742 -4.499 1.00 0.00 H ATOM 675 N ARG A 41 10.592 3.342 3.930 1.00 0.00 N ATOM 676 CA ARG A 41 11.370 2.564 4.886 1.00 0.00 C ATOM 677 C ARG A 41 10.466 1.867 5.894 1.00 0.00 C ATOM 678 O ARG A 41 10.785 0.783 6.384 1.00 0.00 O ATOM 679 CB ARG A 41 12.356 3.456 5.626 1.00 0.00 C ATOM 680 CG ARG A 41 13.506 3.978 4.779 1.00 0.00 C ATOM 681 CD ARG A 41 14.380 4.900 5.548 1.00 0.00 C ATOM 682 NE ARG A 41 15.535 5.324 4.774 1.00 0.00 N ATOM 683 CZ ARG A 41 15.524 6.317 3.864 1.00 0.00 C ATOM 684 NH1 ARG A 41 14.413 6.978 3.626 1.00 0.00 N ATOM 685 NH2 ARG A 41 16.631 6.627 3.211 1.00 0.00 N ATOM 686 H ARG A 41 10.420 4.320 4.115 1.00 0.00 H ATOM 687 HA ARG A 41 11.933 1.807 4.340 1.00 0.00 H ATOM 688 1HB ARG A 41 11.830 4.318 6.035 1.00 0.00 H ATOM 689 2HB ARG A 41 12.786 2.907 6.464 1.00 0.00 H ATOM 690 1HG ARG A 41 14.112 3.141 4.433 1.00 0.00 H ATOM 691 2HG ARG A 41 13.109 4.519 3.919 1.00 0.00 H ATOM 692 1HD ARG A 41 13.814 5.788 5.829 1.00 0.00 H ATOM 693 2HD ARG A 41 14.737 4.399 6.447 1.00 0.00 H ATOM 694 HE ARG A 41 16.409 4.839 4.930 1.00 0.00 H ATOM 695 1HH1 ARG A 41 13.567 6.741 4.125 1.00 0.00 H ATOM 696 2HH1 ARG A 41 14.405 7.722 2.943 1.00 0.00 H ATOM 697 1HH2 ARG A 41 17.485 6.120 3.395 1.00 0.00 H ATOM 698 2HH2 ARG A 41 16.622 7.371 2.529 1.00 0.00 H ATOM 699 N PHE A 42 9.336 2.494 6.201 1.00 0.00 N ATOM 700 CA PHE A 42 8.429 1.985 7.224 1.00 0.00 C ATOM 701 C PHE A 42 7.812 0.658 6.799 1.00 0.00 C ATOM 702 O PHE A 42 7.817 -0.311 7.559 1.00 0.00 O ATOM 703 CB PHE A 42 7.321 3.000 7.509 1.00 0.00 C ATOM 704 CG PHE A 42 6.337 2.547 8.550 1.00 0.00 C ATOM 705 CD1 PHE A 42 6.720 2.420 9.877 1.00 0.00 C ATOM 706 CD2 PHE A 42 5.028 2.247 8.205 1.00 0.00 C ATOM 707 CE1 PHE A 42 5.816 2.004 10.836 1.00 0.00 C ATOM 708 CE2 PHE A 42 4.122 1.832 9.162 1.00 0.00 C ATOM 709 CZ PHE A 42 4.517 1.710 10.479 1.00 0.00 C ATOM 710 H PHE A 42 9.098 3.347 5.715 1.00 0.00 H ATOM 711 HA PHE A 42 8.995 1.829 8.142 1.00 0.00 H ATOM 712 1HB PHE A 42 7.763 3.937 7.844 1.00 0.00 H ATOM 713 2HB PHE A 42 6.772 3.207 6.591 1.00 0.00 H ATOM 714 HD1 PHE A 42 7.747 2.654 10.160 1.00 0.00 H ATOM 715 HD2 PHE A 42 4.716 2.343 7.165 1.00 0.00 H ATOM 716 HE1 PHE A 42 6.130 1.908 11.875 1.00 0.00 H ATOM 717 HE2 PHE A 42 3.096 1.599 8.878 1.00 0.00 H ATOM 718 HZ PHE A 42 3.805 1.380 11.234 1.00 0.00 H ATOM 719 N LEU A 43 7.281 0.620 5.582 1.00 0.00 N ATOM 720 CA LEU A 43 6.589 -0.563 5.084 1.00 0.00 C ATOM 721 C LEU A 43 7.560 -1.523 4.407 1.00 0.00 C ATOM 722 O LEU A 43 8.570 -1.104 3.841 1.00 0.00 O ATOM 723 OXT LEU A 43 7.343 -2.703 4.419 1.00 0.00 O ATOM 724 CB LEU A 43 5.488 -0.157 4.097 1.00 0.00 C ATOM 725 CG LEU A 43 4.397 0.763 4.658 1.00 0.00 C ATOM 726 CD1 LEU A 43 3.429 1.142 3.546 1.00 0.00 C ATOM 727 CD2 LEU A 43 3.674 0.058 5.796 1.00 0.00 C ATOM 728 H LEU A 43 7.358 1.432 4.987 1.00 0.00 H ATOM 729 HA LEU A 43 6.126 -1.074 5.928 1.00 0.00 H ATOM 730 1HB LEU A 43 5.950 0.353 3.252 1.00 0.00 H ATOM 731 2HB LEU A 43 5.002 -1.060 3.727 1.00 0.00 H ATOM 732 HG LEU A 43 4.852 1.681 5.031 1.00 0.00 H ATOM 733 1HD1 LEU A 43 2.654 1.796 3.945 1.00 0.00 H ATOM 734 2HD1 LEU A 43 3.969 1.661 2.754 1.00 0.00 H ATOM 735 3HD1 LEU A 43 2.970 0.240 3.141 1.00 0.00 H ATOM 736 1HD2 LEU A 43 2.899 0.713 6.196 1.00 0.00 H ATOM 737 2HD2 LEU A 43 3.218 -0.859 5.424 1.00 0.00 H ATOM 738 3HD2 LEU A 43 4.386 -0.185 6.585 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE start02_0246_0002.pdb label fa_atr fa_rep fa_sol fa_intra_atr_xover4 fa_intra_rep_xover4 fa_intra_sol_xover4 lk_ball lk_ball_iso lk_ball_bridge lk_ball_bridge_uncpl fa_elec fa_intra_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun_dev fa_dun_rot fa_dun_semi p_aa_pp hxl_tors ref rama_prepro gen_bonded total weights 1 0.55 1 1 0.55 1 0.92 -0.38 -0.33 -0.33 1 1 1.25 1 1 1 1 1.25 0.48 0.69 0.76 0.78 0.61 1 1 0.5 1 NA pose -243.959 24.9041 167.903 -18.5446 9.57617 12.5933 93.956 -97.9277 -0.28432 -2.01256 -75.1231 -11.8112 0 -28.6447 -4.00374 -1.31829 -7.03347 0 1.64656 3.40973 22.6469 40.3218 -11.6081 3.02677 -15.4753 -0.16074 0 -137.922 ASP:NtermProteinFull_1 -3.12714 0.14438 3.8887 -0.11378 0.0109 0.35111 1.97024 -1.77839 -0.02112 -0.15988 -1.63468 -1.2207 0 0 0 0 0 0 0.21061 0.05759 0 1.82499 0 0 -2.3716 0 0 -1.96877 ALA_2 -5.43009 0.64402 2.89773 -0.02188 0 0 1.65176 -2.13386 -0 -0 -1.72202 -0.35723 0 0 0 0 0 0 0.02092 0 0 0 -0.21363 0 1.8394 -0.08343 0 -2.90832 GLU_3 -3.90277 0.22251 4.52224 -0.46766 0.27288 1.4716 1.61831 -2.14543 -0.02925 -0.15857 -1.22645 -2.8735 0 0 0 0 0 0 0.02038 0.04234 0 3.98408 -0.23793 0 -2.7348 -0.27037 0 -1.89238 GLU_4 -4.17234 0.24954 5.58686 -0.21762 0.04764 0.32495 2.46494 -2.46219 -0.05037 -0.31845 -1.43309 -0.60596 0 0 0 0 0 0 0.05952 0.13649 0 3.0396 -0.23581 0 -2.7348 -0.36508 0 -0.68617 LEU_5 -8.44664 1.21988 3.47747 -0.49525 0.35397 0.11776 2.66935 -2.65258 -0 -0 -1.42397 0.22768 0 0 0 0 0 0 0.13847 0.28925 0.32576 0 -0.29319 0 0.18072 -0.22477 0 -4.53609 ILE_6 -8.61009 1.04339 5.10721 -0.51513 0.59021 0.10264 3.27646 -3.16208 -0 -0 -2.10431 0.07699 0 0 0 0 0 0 0.00696 0.2306 0.60629 0 -0.39026 0 0.73287 0.13756 0 -2.87069 GLU_7 -5.65769 0.31868 6.85858 -0.34027 0.08771 0.40694 3.37673 -2.98947 -0.01418 -0.14085 -3.33487 -0.59705 0 0 0 0 -1.00841 0 -0.03391 0.03853 0 3.36862 -0.15996 0 -2.7348 0.14211 0 -2.41356 LEU_8 -6.42362 0.5325 4.32995 -0.50757 0.53854 0.12115 2.57151 -2.65331 -0 -0 -1.99673 0.2641 0 0 0 0 0 0 0.03575 0.03919 0.30819 0 -0.28377 0 0.18072 -0.04601 0 -2.98941 VAL_9 -8.09576 1.34425 3.02869 -0.30936 0.26031 0.07009 2.85212 -2.78291 -0 -0 -1.99271 -0.06945 0 0 0 0 0 0 -0.05503 0.00432 0.08493 0 -0.34975 0 1.9342 0.11878 0 -3.95728 GLU_10 -5.5141 0.23702 5.929 -0.21534 0.03064 0.30225 2.47649 -2.76158 -0.01418 -0.14085 -2.118 -0.59587 0 0 0 0 0 0 0.03816 0.00048 0 3.02483 -0.20311 0 -2.7348 -0.01726 0 -2.27621 ARG_11 -6.16217 0.41513 7.44585 -0.63098 0.17403 0.34957 3.58063 -3.20608 -0 -0 -3.69961 0.27191 0 0 0 0 -1.00841 0 -0.02857 0.07369 2.55613 0 -0.00874 0 -1.2888 -0.01083 0 -1.17724 ALA_12 -6.78777 0.24087 5.16203 -0.02154 0 0 3.35998 -3.26948 -0.00045 -0.00803 -3.0611 -0.35431 0 0 0 0 0 0 -0.04406 0 0 0 -0.21347 0 1.8394 0.12991 0 -3.02803 LEU_13 -6.15964 0.38094 3.66499 -0.49994 0.45245 0.11841 1.66431 -2.47847 -0 -0 -0.87206 0.239 0 0 0 0 0 0 0.03887 0.11252 0.39498 0 -0.26886 0 0.18072 -0.01494 0 -3.04669 LYS_14 -3.31915 0.21727 3.94286 -0.30493 0.02767 0.13722 1.47795 -1.75135 -0 -0 -0.77145 -0.03741 0 0 0 0 0 0 0.0512 0.05066 1.80963 0 -0.05231 0 -1.5107 -0.12439 0 -0.15723 GLU_15 -3.97966 0.2302 5.14835 -0.21699 0.02751 0.30994 1.99151 -2.12526 -0.00045 -0.00803 -2.04619 -0.61871 0 0 0 0 -0.35902 0 0.1537 0.05862 0 3.13943 -0.34084 0 -2.7348 -0.35602 0 -1.72672 GLY_16 -1.71891 0.1128 2.34391 -6e-05 0 0 1.00803 -1.12571 -0.005 -0.0374 -0.68904 -0.35953 0 0 0 0 0 0 -0.09963 0 0 0 -1.52814 0 0.83697 0.32873 0 -0.93298 ARG_17 -5.49959 0.15233 5.39484 -0.81682 0.2403 0.58237 2.30063 -2.51703 -0.005 -0.0374 -2.21716 0.38338 0 0 0 0 -0.35902 0 0.00353 0.00642 2.40693 0 -0.13132 0 -1.2888 0.51646 0 -0.88497 GLU_18 -3.18876 0.18021 3.04884 -0.21649 0.03878 0.31529 1.03124 -1.3165 -0 -0 -2.47838 -0.46122 0 0 0 0 -0.83941 0 -0.01809 0.06311 0 3.19797 -0.03461 0 -2.7348 -0.24808 0 -3.66088 ILE_19 -6.91955 0.76195 2.00387 -0.56152 0.70622 0.11367 2.24935 -1.99694 -0 -0 -1.66391 0.03445 0 0 0 0 0 0 0.01004 0.11556 1.20646 0 -0.28322 0 0.73287 -0.17778 0 -3.66849 ILE_20 -4.56399 0.67104 1.62187 -0.48652 0.57435 0.10935 0.55562 -1.28826 -0 -0 0.0476 -0.05773 0 0 0 0 0 0 -0.05722 0.09618 0.29311 0 -0.69589 0 0.73287 -0.11527 0 -2.56291 LEU_21 -7.82047 1.3752 1.96183 -0.48599 0.39632 0.10989 2.49355 -2.08898 -0 -0 -1.5418 -0.01231 0 0 0 0 0 0 -0.01019 0.04713 1.00431 0 -0.14678 0 0.18072 -0.01991 0 -4.55747 LEU_22 -3.56613 0.61005 0.36701 -0.54185 0.41658 0.16792 0.48487 -0.77758 -0 -0 0.23415 -0.05916 0 0 0 0 0 0 0.0515 0.11882 0.31245 0 0.54895 0 0.18072 0.61409 0 -0.8376 GLY_23 -1.67695 0.25162 1.4729 -6e-05 0 0 0.47667 -0.91392 -0 -0 -0.01745 -0.40361 0 0 0 0 0 0 -0.1619 0 0 0 -1.50598 0 0.83697 0.06158 0 -1.58014 VAL_24 -5.80825 0.61409 2.99308 -0.28809 0.20142 0.06508 2.47835 -2.19778 -0 -0 -1.86255 -0.1276 0 0 0 0 0 0 -0.05836 0.00845 0.09594 0 -0.376 0 1.9342 -0.59174 0 -2.91978 ARG_25 -4.31413 0.45501 2.67876 -0.54094 0.10231 0.31383 1.02917 -1.45326 -0.00645 -0.02146 -1.57764 0.49403 0 0 0 0 -0.83941 0 -0.07865 0.08869 1.89361 0 0.07212 0 -1.2888 -0.1768 0 -3.16999 ILE_26 -8.05615 1.06738 1.54299 -0.49347 0.48683 0.12089 2.61135 -2.24994 -0 -0 -1.38283 -0.1039 0 0 0 0 0 0 -0.04774 0.33126 0.27972 0 -0.62505 0 0.73287 -0.19194 0 -5.97772 THR_27 -3.13959 0.35797 1.56976 -0.12272 0.06884 0.07489 0.24922 -1.01049 -0.03618 -0.31763 0.08433 -1.02195 0 0 0 0 0 0 0.15868 0.16591 0.11216 0 -0.62866 2.37659 -1.0874 -0.28632 0 -2.43258 SER_28 -4.23899 0.19386 4.12689 -0.02704 0 0.06452 2.57739 -2.28912 -0.02973 -0.29617 -1.84927 -0.36586 0 0 0 -0.65914 0 0 -0.01743 0.01414 0.06284 0 -0.53126 0.65018 -0.77834 -0.30109 0 -3.69361 GLU_29 -3.96932 0.15974 3.58839 -0.4652 0.2801 1.46363 1.45519 -1.83902 -0.02719 -0.13957 -1.64733 -2.99145 0 0 0 0 0 0 -0.03696 0.0368 0 4.01055 -0.33433 0 -2.7348 -0.41487 0 -3.60563 GLU_30 -4.14877 0.2939 5.83962 -0.44514 0.06948 0.8827 2.34461 -2.47012 -0.02719 -0.13957 -2.91579 -0.44682 0 0 0 0 -0.60042 0 0.43157 0.00665 0 3.43594 -0.21406 0 -2.7348 -0.39128 0 -1.22952 ALA_31 -4.93405 0.29143 3.58975 -0.02245 0 0 2.42076 -2.36145 -0 -0 -1.12054 -0.36552 0 0 0 -0.65914 0 0 0.2736 0 0 0 -0.23379 0 1.8394 -0.34309 0 -1.62509 GLY_32 -5.21313 0.62964 4.67057 -5e-05 0 0 2.58383 -2.69097 -0 -0 -2.21491 -0.3998 0 0 0 0 0 0 -0.06466 0 0 0 0.36589 0 0.83697 0.54141 0 -0.95521 LYS_33 -5.6302 0.36309 7.3216 -0.46146 0.1463 0.23957 3.2798 -3.16248 -0 -0 -4.30186 0.1278 0 0 0 0 -0.60042 0 0.17643 0.14496 2.48152 0 -0.02255 0 -1.5107 0.67739 0 -0.73119 TRP_34 -6.65215 0.65989 4.42497 -1.33177 0.19698 0.49442 2.5825 -2.61241 -0 -0 -2.28452 -0.25019 0 0 0 0 0 0 0.03738 0.03313 0 1.73766 -0.34552 0 1.6906 0.17498 0 -1.44405 PHE_35 -11.9385 1.80703 3.40025 -0.90269 0.09783 0.35986 3.2605 -3.15287 -0.00879 -0.04435 -2.74596 0.03298 0 0 0 0 0 0 0.04011 0.00312 0 2.10492 -0.29646 0 1.0402 0.40095 0 -6.54183 ILE_36 -8.23861 1.17016 5.09268 -0.51334 0.60695 0.10056 2.85398 -3.05854 -0 -0 -2.01458 0.13539 0 0 0 0 0 0 0.13272 0.02579 0.54234 0 -0.38507 0 0.73287 0.49218 0 -2.32452 GLU_37 -5.19444 0.17041 6.70143 -0.4406 0.06497 0.86249 3.14035 -2.9651 -0 -0 -3.49139 -0.44046 0 0 0 0 -0.70948 0 -0.0413 0.02687 0 3.35804 -0.25295 0 -2.7348 0.1459 0 -1.80005 TRP_38 -10.5774 0.80335 3.92749 -1.24681 0.05229 0.52328 3.33173 -3.08862 -0 -0 -3.34145 -0.41037 0 0 0 0 0 0 0.24512 0.3243 0 1.99601 -0.25138 0 1.6906 -0.01002 0 -6.03183 ILE_39 -10.9996 2.16332 3.14741 -0.73152 1.10373 0.25032 3.09323 -3.01821 -0 -0 -1.91812 0.46628 0 0 0 0 0 0 0.12983 0.11822 0.95007 0 0.01759 0 0.73287 0.14012 0 -4.35442 ARG_40 -5.74342 0.74765 4.76478 -0.44668 0.07937 0.223 1.83027 -2.47782 -0.00879 -0.04435 -0.69443 0.35743 0 0 0 0 0 0 0.07302 0.39632 2.05368 0 -0.15781 0 -1.2888 -0.13098 0 -0.46756 ARG_41 -3.66994 0.18967 5.06528 -0.65405 0.18089 0.43749 2.49566 -2.2167 -0 -0 -1.7073 0.11481 0 0 0 0 -0.70948 0 -0.03979 0.07887 1.90081 0 -0.12517 0 -1.2888 -0.1774 0 -0.12515 PHE_42 -5.95679 0.70037 2.26566 -0.88727 0.04656 0.30225 1.4978 -1.68637 -0 -0 -0.61317 0.01179 0 0 0 0 0 0 0.00202 0.00376 0 2.09917 -0.25503 0 1.0402 0.11735 0 -1.31171 LEU:CtermProteinFull_43 -4.79223 0.51042 1.9864 -0.53581 0.5443 0.23239 1.23806 -1.54912 -0 -0 0.2395 0.55847 0 0 0 0 0 0 0 0.02098 0.96499 0 0 0 0.18072 0.18943 0 -0.21151 #END_POSE_ENERGIES_TABLE start02_0246_0002.pdb score_per_res -3.20748 total_score -137.922
HEEH_KT_rd6_3636.pdb
ATOM 1 N ASP A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA ASP A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C ASP A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O ASP A 1 1.253 2.389 0.072 1.00 0.00 O ATOM 5 CB ASP A 1 1.994 -0.762 -1.214 1.00 0.00 C ATOM 6 CG ASP A 1 1.612 -0.113 -2.538 1.00 0.00 C ATOM 7 OD1 ASP A 1 1.143 1.001 -2.517 1.00 0.00 O ATOM 8 OD2 ASP A 1 1.791 -0.737 -3.556 1.00 0.00 O ATOM 9 1H ASP A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 10 2H ASP A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 11 3H ASP A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 12 HA ASP A 1 1.804 -0.509 0.900 1.00 0.00 H ATOM 13 1HB ASP A 1 3.082 -0.820 -1.156 1.00 0.00 H ATOM 14 2HB ASP A 1 1.611 -1.782 -1.202 1.00 0.00 H ATOM 15 N GLU A 2 3.330 1.537 -0.080 1.00 0.00 N ATOM 16 CA GLU A 2 3.994 2.827 0.059 1.00 0.00 C ATOM 17 C GLU A 2 3.668 3.745 -1.112 1.00 0.00 C ATOM 18 O GLU A 2 3.446 4.942 -0.931 1.00 0.00 O ATOM 19 CB GLU A 2 5.509 2.638 0.164 1.00 0.00 C ATOM 20 CG GLU A 2 5.963 1.874 1.400 1.00 0.00 C ATOM 21 CD GLU A 2 5.778 0.388 1.270 1.00 0.00 C ATOM 22 OE1 GLU A 2 5.362 -0.051 0.225 1.00 0.00 O ATOM 23 OE2 GLU A 2 6.053 -0.309 2.218 1.00 0.00 O ATOM 24 H GLU A 2 3.888 0.711 -0.242 1.00 0.00 H ATOM 25 HA GLU A 2 3.647 3.298 0.980 1.00 0.00 H ATOM 26 1HB GLU A 2 5.871 2.100 -0.713 1.00 0.00 H ATOM 27 2HB GLU A 2 5.998 3.612 0.175 1.00 0.00 H ATOM 28 1HG GLU A 2 7.018 2.083 1.576 1.00 0.00 H ATOM 29 2HG GLU A 2 5.402 2.232 2.262 1.00 0.00 H ATOM 30 N GLU A 3 3.640 3.177 -2.312 1.00 0.00 N ATOM 31 CA GLU A 3 3.454 3.961 -3.527 1.00 0.00 C ATOM 32 C GLU A 3 2.034 4.505 -3.620 1.00 0.00 C ATOM 33 O GLU A 3 1.822 5.645 -4.032 1.00 0.00 O ATOM 34 CB GLU A 3 3.768 3.114 -4.763 1.00 0.00 C ATOM 35 CG GLU A 3 5.237 2.749 -4.918 1.00 0.00 C ATOM 36 CD GLU A 3 6.135 3.952 -4.996 1.00 0.00 C ATOM 37 OE1 GLU A 3 5.841 4.840 -5.761 1.00 0.00 O ATOM 38 OE2 GLU A 3 7.115 3.984 -4.290 1.00 0.00 O ATOM 39 H GLU A 3 3.750 2.175 -2.386 1.00 0.00 H ATOM 40 HA GLU A 3 4.150 4.801 -3.507 1.00 0.00 H ATOM 41 1HB GLU A 3 3.195 2.188 -4.724 1.00 0.00 H ATOM 42 2HB GLU A 3 3.461 3.652 -5.660 1.00 0.00 H ATOM 43 1HG GLU A 3 5.541 2.139 -4.067 1.00 0.00 H ATOM 44 2HG GLU A 3 5.359 2.151 -5.820 1.00 0.00 H ATOM 45 N THR A 4 1.065 3.682 -3.233 1.00 0.00 N ATOM 46 CA THR A 4 -0.336 4.090 -3.244 1.00 0.00 C ATOM 47 C THR A 4 -0.576 5.261 -2.301 1.00 0.00 C ATOM 48 O THR A 4 -1.252 6.226 -2.654 1.00 0.00 O ATOM 49 CB THR A 4 -1.258 2.918 -2.859 1.00 0.00 C ATOM 50 OG1 THR A 4 -1.083 1.843 -3.792 1.00 0.00 O ATOM 51 CG2 THR A 4 -2.713 3.360 -2.867 1.00 0.00 C ATOM 52 H THR A 4 1.304 2.751 -2.925 1.00 0.00 H ATOM 53 HA THR A 4 -0.599 4.397 -4.258 1.00 0.00 H ATOM 54 HB THR A 4 -0.997 2.562 -1.863 1.00 0.00 H ATOM 55 HG1 THR A 4 -0.255 1.393 -3.609 1.00 0.00 H ATOM 56 1HG2 THR A 4 -3.350 2.519 -2.592 1.00 0.00 H ATOM 57 2HG2 THR A 4 -2.852 4.169 -2.151 1.00 0.00 H ATOM 58 3HG2 THR A 4 -2.983 3.707 -3.864 1.00 0.00 H ATOM 59 N ALA A 5 -0.018 5.168 -1.098 1.00 0.00 N ATOM 60 CA ALA A 5 -0.177 6.217 -0.097 1.00 0.00 C ATOM 61 C ALA A 5 0.370 7.546 -0.601 1.00 0.00 C ATOM 62 O ALA A 5 -0.253 8.593 -0.424 1.00 0.00 O ATOM 63 CB ALA A 5 0.511 5.819 1.200 1.00 0.00 C ATOM 64 H ALA A 5 0.529 4.351 -0.870 1.00 0.00 H ATOM 65 HA ALA A 5 -1.241 6.335 0.114 1.00 0.00 H ATOM 66 1HB ALA A 5 0.383 6.611 1.938 1.00 0.00 H ATOM 67 2HB ALA A 5 0.069 4.897 1.579 1.00 0.00 H ATOM 68 3HB ALA A 5 1.573 5.663 1.016 1.00 0.00 H ATOM 69 N LYS A 6 1.540 7.498 -1.229 1.00 0.00 N ATOM 70 CA LYS A 6 2.178 8.699 -1.754 1.00 0.00 C ATOM 71 C LYS A 6 1.333 9.341 -2.846 1.00 0.00 C ATOM 72 O LYS A 6 1.186 10.562 -2.895 1.00 0.00 O ATOM 73 CB LYS A 6 3.573 8.374 -2.291 1.00 0.00 C ATOM 74 CG LYS A 6 4.617 8.111 -1.214 1.00 0.00 C ATOM 75 CD LYS A 6 6.012 8.003 -1.811 1.00 0.00 C ATOM 76 CE LYS A 6 6.199 6.685 -2.547 1.00 0.00 C ATOM 77 NZ LYS A 6 7.609 6.485 -2.980 1.00 0.00 N ATOM 78 H LYS A 6 1.999 6.606 -1.347 1.00 0.00 H ATOM 79 HA LYS A 6 2.294 9.414 -0.937 1.00 0.00 H ATOM 80 1HB LYS A 6 3.520 7.490 -2.928 1.00 0.00 H ATOM 81 2HB LYS A 6 3.928 9.200 -2.907 1.00 0.00 H ATOM 82 1HG LYS A 6 4.603 8.925 -0.488 1.00 0.00 H ATOM 83 2HG LYS A 6 4.379 7.182 -0.696 1.00 0.00 H ATOM 84 1HD LYS A 6 6.174 8.826 -2.508 1.00 0.00 H ATOM 85 2HD LYS A 6 6.754 8.072 -1.015 1.00 0.00 H ATOM 86 1HE LYS A 6 5.911 5.861 -1.897 1.00 0.00 H ATOM 87 2HE LYS A 6 5.557 6.666 -3.428 1.00 0.00 H ATOM 88 1HZ LYS A 6 7.691 5.602 -3.464 1.00 0.00 H ATOM 89 2HZ LYS A 6 7.882 7.235 -3.600 1.00 0.00 H ATOM 90 3HZ LYS A 6 8.213 6.481 -2.170 1.00 0.00 H ATOM 91 N GLU A 7 0.777 8.509 -3.722 1.00 0.00 N ATOM 92 CA GLU A 7 -0.064 8.993 -4.810 1.00 0.00 C ATOM 93 C GLU A 7 -1.321 9.669 -4.277 1.00 0.00 C ATOM 94 O GLU A 7 -1.751 10.699 -4.796 1.00 0.00 O ATOM 95 CB GLU A 7 -0.449 7.840 -5.740 1.00 0.00 C ATOM 96 CG GLU A 7 0.687 7.332 -6.616 1.00 0.00 C ATOM 97 CD GLU A 7 0.294 6.149 -7.457 1.00 0.00 C ATOM 98 OE1 GLU A 7 -0.799 5.663 -7.290 1.00 0.00 O ATOM 99 OE2 GLU A 7 1.088 5.731 -8.266 1.00 0.00 O ATOM 100 H GLU A 7 0.942 7.517 -3.631 1.00 0.00 H ATOM 101 HA GLU A 7 0.505 9.721 -5.390 1.00 0.00 H ATOM 102 1HB GLU A 7 -0.815 7.001 -5.147 1.00 0.00 H ATOM 103 2HB GLU A 7 -1.261 8.156 -6.395 1.00 0.00 H ATOM 104 1HG GLU A 7 1.013 8.138 -7.274 1.00 0.00 H ATOM 105 2HG GLU A 7 1.527 7.057 -5.980 1.00 0.00 H ATOM 106 N LEU A 8 -1.906 9.084 -3.238 1.00 0.00 N ATOM 107 CA LEU A 8 -3.105 9.638 -2.620 1.00 0.00 C ATOM 108 C LEU A 8 -2.825 11.001 -1.999 1.00 0.00 C ATOM 109 O LEU A 8 -3.666 11.898 -2.044 1.00 0.00 O ATOM 110 CB LEU A 8 -3.640 8.681 -1.548 1.00 0.00 C ATOM 111 CG LEU A 8 -4.232 7.364 -2.066 1.00 0.00 C ATOM 112 CD1 LEU A 8 -4.434 6.404 -0.902 1.00 0.00 C ATOM 113 CD2 LEU A 8 -5.547 7.645 -2.779 1.00 0.00 C ATOM 114 H LEU A 8 -1.509 8.232 -2.865 1.00 0.00 H ATOM 115 HA LEU A 8 -3.868 9.755 -3.391 1.00 0.00 H ATOM 116 1HB LEU A 8 -2.827 8.433 -0.867 1.00 0.00 H ATOM 117 2HB LEU A 8 -4.417 9.193 -0.981 1.00 0.00 H ATOM 118 HG LEU A 8 -3.533 6.901 -2.763 1.00 0.00 H ATOM 119 1HD1 LEU A 8 -4.855 5.468 -1.271 1.00 0.00 H ATOM 120 2HD1 LEU A 8 -3.475 6.206 -0.423 1.00 0.00 H ATOM 121 3HD1 LEU A 8 -5.117 6.848 -0.179 1.00 0.00 H ATOM 122 1HD2 LEU A 8 -5.967 6.709 -3.148 1.00 0.00 H ATOM 123 2HD2 LEU A 8 -6.246 8.107 -2.082 1.00 0.00 H ATOM 124 3HD2 LEU A 8 -5.370 8.319 -3.617 1.00 0.00 H ATOM 125 N VAL A 9 -1.638 11.149 -1.421 1.00 0.00 N ATOM 126 CA VAL A 9 -1.217 12.424 -0.852 1.00 0.00 C ATOM 127 C VAL A 9 -1.027 13.476 -1.937 1.00 0.00 C ATOM 128 O VAL A 9 -1.491 14.608 -1.806 1.00 0.00 O ATOM 129 CB VAL A 9 0.099 12.251 -0.071 1.00 0.00 C ATOM 130 CG1 VAL A 9 0.666 13.607 0.324 1.00 0.00 C ATOM 131 CG2 VAL A 9 -0.137 11.387 1.158 1.00 0.00 C ATOM 132 H VAL A 9 -1.011 10.359 -1.375 1.00 0.00 H ATOM 133 HA VAL A 9 -1.991 12.768 -0.164 1.00 0.00 H ATOM 134 HB VAL A 9 0.834 11.772 -0.717 1.00 0.00 H ATOM 135 1HG1 VAL A 9 1.596 13.466 0.875 1.00 0.00 H ATOM 136 2HG1 VAL A 9 0.861 14.195 -0.573 1.00 0.00 H ATOM 137 3HG1 VAL A 9 -0.052 14.132 0.954 1.00 0.00 H ATOM 138 1HG2 VAL A 9 0.798 11.269 1.705 1.00 0.00 H ATOM 139 2HG2 VAL A 9 -0.877 11.864 1.802 1.00 0.00 H ATOM 140 3HG2 VAL A 9 -0.503 10.408 0.850 1.00 0.00 H ATOM 141 N ARG A 10 -0.341 13.095 -3.009 1.00 0.00 N ATOM 142 CA ARG A 10 -0.074 14.009 -4.113 1.00 0.00 C ATOM 143 C ARG A 10 -1.370 14.546 -4.707 1.00 0.00 C ATOM 144 O ARG A 10 -1.468 15.727 -5.041 1.00 0.00 O ATOM 145 CB ARG A 10 0.730 13.314 -5.202 1.00 0.00 C ATOM 146 CG ARG A 10 2.189 13.061 -4.856 1.00 0.00 C ATOM 147 CD ARG A 10 2.866 12.243 -5.896 1.00 0.00 C ATOM 148 NE ARG A 10 4.268 12.019 -5.582 1.00 0.00 N ATOM 149 CZ ARG A 10 5.049 11.102 -6.184 1.00 0.00 C ATOM 150 NH1 ARG A 10 4.553 10.333 -7.128 1.00 0.00 N ATOM 151 NH2 ARG A 10 6.315 10.975 -5.827 1.00 0.00 N ATOM 152 H ARG A 10 0.007 12.148 -3.060 1.00 0.00 H ATOM 153 HA ARG A 10 0.511 14.848 -3.734 1.00 0.00 H ATOM 154 1HB ARG A 10 0.274 12.352 -5.433 1.00 0.00 H ATOM 155 2HB ARG A 10 0.706 13.914 -6.112 1.00 0.00 H ATOM 156 1HG ARG A 10 2.714 14.013 -4.774 1.00 0.00 H ATOM 157 2HG ARG A 10 2.251 12.528 -3.907 1.00 0.00 H ATOM 158 1HD ARG A 10 2.374 11.273 -5.972 1.00 0.00 H ATOM 159 2HD ARG A 10 2.809 12.755 -6.855 1.00 0.00 H ATOM 160 HE ARG A 10 4.685 12.592 -4.861 1.00 0.00 H ATOM 161 1HH1 ARG A 10 3.585 10.430 -7.401 1.00 0.00 H ATOM 162 2HH1 ARG A 10 5.139 9.646 -7.580 1.00 0.00 H ATOM 163 1HH2 ARG A 10 6.697 11.566 -5.101 1.00 0.00 H ATOM 164 2HH2 ARG A 10 6.901 10.288 -6.278 1.00 0.00 H ATOM 165 N GLU A 11 -2.363 13.673 -4.836 1.00 0.00 N ATOM 166 CA GLU A 11 -3.679 14.075 -5.317 1.00 0.00 C ATOM 167 C GLU A 11 -4.379 14.981 -4.313 1.00 0.00 C ATOM 168 O GLU A 11 -4.989 15.984 -4.685 1.00 0.00 O ATOM 169 CB GLU A 11 -4.543 12.844 -5.598 1.00 0.00 C ATOM 170 CG GLU A 11 -5.925 13.160 -6.154 1.00 0.00 C ATOM 171 CD GLU A 11 -5.878 13.765 -7.529 1.00 0.00 C ATOM 172 OE1 GLU A 11 -4.924 13.527 -8.230 1.00 0.00 O ATOM 173 OE2 GLU A 11 -6.797 14.467 -7.879 1.00 0.00 O ATOM 174 H GLU A 11 -2.201 12.706 -4.595 1.00 0.00 H ATOM 175 HA GLU A 11 -3.554 14.622 -6.253 1.00 0.00 H ATOM 176 1HB GLU A 11 -4.034 12.198 -6.313 1.00 0.00 H ATOM 177 2HB GLU A 11 -4.675 12.274 -4.678 1.00 0.00 H ATOM 178 1HG GLU A 11 -6.507 12.240 -6.194 1.00 0.00 H ATOM 179 2HG GLU A 11 -6.429 13.847 -5.476 1.00 0.00 H ATOM 180 N ALA A 12 -4.289 14.623 -3.036 1.00 0.00 N ATOM 181 CA ALA A 12 -4.883 15.422 -1.972 1.00 0.00 C ATOM 182 C ALA A 12 -4.301 16.830 -1.950 1.00 0.00 C ATOM 183 O ALA A 12 -5.022 17.807 -1.747 1.00 0.00 O ATOM 184 CB ALA A 12 -4.679 14.745 -0.624 1.00 0.00 C ATOM 185 H ALA A 12 -3.795 13.775 -2.798 1.00 0.00 H ATOM 186 HA ALA A 12 -5.957 15.491 -2.148 1.00 0.00 H ATOM 187 1HB ALA A 12 -5.127 15.354 0.161 1.00 0.00 H ATOM 188 2HB ALA A 12 -5.150 13.763 -0.636 1.00 0.00 H ATOM 189 3HB ALA A 12 -3.613 14.633 -0.431 1.00 0.00 H ATOM 190 N LEU A 13 -2.992 16.927 -2.160 1.00 0.00 N ATOM 191 CA LEU A 13 -2.310 18.216 -2.157 1.00 0.00 C ATOM 192 C LEU A 13 -2.801 19.103 -3.294 1.00 0.00 C ATOM 193 O LEU A 13 -3.027 20.298 -3.107 1.00 0.00 O ATOM 194 CB LEU A 13 -0.794 18.014 -2.275 1.00 0.00 C ATOM 195 CG LEU A 13 -0.111 17.379 -1.058 1.00 0.00 C ATOM 196 CD1 LEU A 13 1.319 16.998 -1.419 1.00 0.00 C ATOM 197 CD2 LEU A 13 -0.138 18.357 0.107 1.00 0.00 C ATOM 198 H LEU A 13 -2.457 16.087 -2.327 1.00 0.00 H ATOM 199 HA LEU A 13 -2.518 18.715 -1.210 1.00 0.00 H ATOM 200 1HB LEU A 13 -0.595 17.378 -3.136 1.00 0.00 H ATOM 201 2HB LEU A 13 -0.327 18.983 -2.450 1.00 0.00 H ATOM 202 HG LEU A 13 -0.638 16.467 -0.778 1.00 0.00 H ATOM 203 1HD1 LEU A 13 1.805 16.547 -0.554 1.00 0.00 H ATOM 204 2HD1 LEU A 13 1.308 16.283 -2.242 1.00 0.00 H ATOM 205 3HD1 LEU A 13 1.868 17.890 -1.719 1.00 0.00 H ATOM 206 1HD2 LEU A 13 0.348 17.906 0.973 1.00 0.00 H ATOM 207 2HD2 LEU A 13 0.391 19.269 -0.170 1.00 0.00 H ATOM 208 3HD2 LEU A 13 -1.172 18.598 0.356 1.00 0.00 H ATOM 209 N LYS A 14 -2.964 18.510 -4.471 1.00 0.00 N ATOM 210 CA LYS A 14 -3.459 19.238 -5.633 1.00 0.00 C ATOM 211 C LYS A 14 -4.863 19.774 -5.390 1.00 0.00 C ATOM 212 O LYS A 14 -5.212 20.862 -5.851 1.00 0.00 O ATOM 213 CB LYS A 14 -3.445 18.341 -6.872 1.00 0.00 C ATOM 214 CG LYS A 14 -2.054 18.040 -7.415 1.00 0.00 C ATOM 215 CD LYS A 14 -2.119 17.096 -8.607 1.00 0.00 C ATOM 216 CE LYS A 14 -0.728 16.768 -9.130 1.00 0.00 C ATOM 217 NZ LYS A 14 -0.774 15.816 -10.273 1.00 0.00 N ATOM 218 H LYS A 14 -2.739 17.529 -4.564 1.00 0.00 H ATOM 219 HA LYS A 14 -2.792 20.079 -5.824 1.00 0.00 H ATOM 220 1HB LYS A 14 -3.926 17.391 -6.639 1.00 0.00 H ATOM 221 2HB LYS A 14 -4.020 18.812 -7.669 1.00 0.00 H ATOM 222 1HG LYS A 14 -1.575 18.969 -7.724 1.00 0.00 H ATOM 223 2HG LYS A 14 -1.450 17.582 -6.633 1.00 0.00 H ATOM 224 1HD LYS A 14 -2.615 16.171 -8.312 1.00 0.00 H ATOM 225 2HD LYS A 14 -2.697 17.559 -9.407 1.00 0.00 H ATOM 226 1HE LYS A 14 -0.236 17.683 -9.455 1.00 0.00 H ATOM 227 2HE LYS A 14 -0.134 16.326 -8.330 1.00 0.00 H ATOM 228 1HZ LYS A 14 0.166 15.624 -10.590 1.00 0.00 H ATOM 229 2HZ LYS A 14 -1.212 14.955 -9.978 1.00 0.00 H ATOM 230 3HZ LYS A 14 -1.307 16.223 -11.029 1.00 0.00 H ATOM 231 N ASN A 15 -5.668 19.005 -4.664 1.00 0.00 N ATOM 232 CA ASN A 15 -7.061 19.364 -4.424 1.00 0.00 C ATOM 233 C ASN A 15 -7.217 20.119 -3.111 1.00 0.00 C ATOM 234 O ASN A 15 -8.333 20.380 -2.663 1.00 0.00 O ATOM 235 CB ASN A 15 -7.940 18.127 -4.437 1.00 0.00 C ATOM 236 CG ASN A 15 -7.979 17.459 -5.783 1.00 0.00 C ATOM 237 OD1 ASN A 15 -8.026 18.129 -6.821 1.00 0.00 O ATOM 238 ND2 ASN A 15 -7.959 16.151 -5.787 1.00 0.00 N ATOM 239 H ASN A 15 -5.305 18.150 -4.268 1.00 0.00 H ATOM 240 HA ASN A 15 -7.397 20.006 -5.239 1.00 0.00 H ATOM 241 1HB ASN A 15 -7.573 17.412 -3.700 1.00 0.00 H ATOM 242 2HB ASN A 15 -8.956 18.400 -4.151 1.00 0.00 H ATOM 243 1HD2 ASN A 15 -7.982 15.652 -6.654 1.00 0.00 H ATOM 244 2HD2 ASN A 15 -7.920 15.649 -4.923 1.00 0.00 H ATOM 245 N ASN A 16 -6.091 20.466 -2.496 1.00 0.00 N ATOM 246 CA ASN A 16 -6.101 21.199 -1.236 1.00 0.00 C ATOM 247 C ASN A 16 -6.905 20.459 -0.175 1.00 0.00 C ATOM 248 O ASN A 16 -7.657 21.068 0.585 1.00 0.00 O ATOM 249 CB ASN A 16 -6.645 22.601 -1.437 1.00 0.00 C ATOM 250 CG ASN A 16 -5.794 23.423 -2.365 1.00 0.00 C ATOM 251 OD1 ASN A 16 -4.563 23.436 -2.252 1.00 0.00 O ATOM 252 ND2 ASN A 16 -6.427 24.109 -3.283 1.00 0.00 N ATOM 253 H ASN A 16 -5.205 20.218 -2.915 1.00 0.00 H ATOM 254 HA ASN A 16 -5.075 21.272 -0.870 1.00 0.00 H ATOM 255 1HB ASN A 16 -7.655 22.545 -1.843 1.00 0.00 H ATOM 256 2HB ASN A 16 -6.706 23.109 -0.474 1.00 0.00 H ATOM 257 1HD2 ASN A 16 -5.912 24.674 -3.929 1.00 0.00 H ATOM 258 2HD2 ASN A 16 -7.424 24.069 -3.338 1.00 0.00 H ATOM 259 N GLN A 17 -6.742 19.141 -0.129 1.00 0.00 N ATOM 260 CA GLN A 17 -7.415 18.319 0.870 1.00 0.00 C ATOM 261 C GLN A 17 -6.429 17.791 1.905 1.00 0.00 C ATOM 262 O GLN A 17 -5.228 17.710 1.646 1.00 0.00 O ATOM 263 CB GLN A 17 -8.146 17.152 0.201 1.00 0.00 C ATOM 264 CG GLN A 17 -9.169 17.572 -0.840 1.00 0.00 C ATOM 265 CD GLN A 17 -10.293 18.399 -0.246 1.00 0.00 C ATOM 266 OE1 GLN A 17 -10.994 17.955 0.667 1.00 0.00 O ATOM 267 NE2 GLN A 17 -10.472 19.610 -0.762 1.00 0.00 N ATOM 268 H GLN A 17 -6.136 18.696 -0.803 1.00 0.00 H ATOM 269 HA GLN A 17 -8.159 18.934 1.379 1.00 0.00 H ATOM 270 1HB GLN A 17 -7.420 16.499 -0.284 1.00 0.00 H ATOM 271 2HB GLN A 17 -8.660 16.562 0.959 1.00 0.00 H ATOM 272 1HG GLN A 17 -8.670 18.170 -1.603 1.00 0.00 H ATOM 273 2HG GLN A 17 -9.602 16.679 -1.290 1.00 0.00 H ATOM 274 1HE2 GLN A 17 -11.198 20.202 -0.410 1.00 0.00 H ATOM 275 2HE2 GLN A 17 -9.880 19.931 -1.502 1.00 0.00 H ATOM 276 N LEU A 18 -6.943 17.433 3.076 1.00 0.00 N ATOM 277 CA LEU A 18 -6.137 16.775 4.097 1.00 0.00 C ATOM 278 C LEU A 18 -6.235 15.259 3.984 1.00 0.00 C ATOM 279 O LEU A 18 -7.329 14.697 3.963 1.00 0.00 O ATOM 280 CB LEU A 18 -6.586 17.220 5.495 1.00 0.00 C ATOM 281 CG LEU A 18 -5.879 16.534 6.670 1.00 0.00 C ATOM 282 CD1 LEU A 18 -4.406 16.921 6.673 1.00 0.00 C ATOM 283 CD2 LEU A 18 -6.553 16.937 7.974 1.00 0.00 C ATOM 284 H LEU A 18 -7.917 17.621 3.264 1.00 0.00 H ATOM 285 HA LEU A 18 -5.096 17.070 3.960 1.00 0.00 H ATOM 286 1HB LEU A 18 -6.420 18.292 5.588 1.00 0.00 H ATOM 287 2HB LEU A 18 -7.655 17.029 5.594 1.00 0.00 H ATOM 288 HG LEU A 18 -5.939 15.452 6.550 1.00 0.00 H ATOM 289 1HD1 LEU A 18 -3.903 16.433 7.509 1.00 0.00 H ATOM 290 2HD1 LEU A 18 -3.945 16.604 5.738 1.00 0.00 H ATOM 291 3HD1 LEU A 18 -4.314 18.001 6.776 1.00 0.00 H ATOM 292 1HD2 LEU A 18 -6.050 16.449 8.809 1.00 0.00 H ATOM 293 2HD2 LEU A 18 -6.492 18.019 8.096 1.00 0.00 H ATOM 294 3HD2 LEU A 18 -7.599 16.633 7.951 1.00 0.00 H ATOM 295 N PHE A 19 -5.082 14.601 3.911 1.00 0.00 N ATOM 296 CA PHE A 19 -5.036 13.148 3.801 1.00 0.00 C ATOM 297 C PHE A 19 -4.724 12.504 5.146 1.00 0.00 C ATOM 298 O PHE A 19 -3.803 12.923 5.847 1.00 0.00 O ATOM 299 CB PHE A 19 -3.988 12.723 2.771 1.00 0.00 C ATOM 300 CG PHE A 19 -3.924 11.238 2.549 1.00 0.00 C ATOM 301 CD1 PHE A 19 -4.959 10.573 1.910 1.00 0.00 C ATOM 302 CD2 PHE A 19 -2.829 10.505 2.979 1.00 0.00 C ATOM 303 CE1 PHE A 19 -4.901 9.207 1.706 1.00 0.00 C ATOM 304 CE2 PHE A 19 -2.767 9.140 2.775 1.00 0.00 C ATOM 305 CZ PHE A 19 -3.805 8.491 2.137 1.00 0.00 C ATOM 306 H PHE A 19 -4.216 15.121 3.932 1.00 0.00 H ATOM 307 HA PHE A 19 -6.010 12.795 3.462 1.00 0.00 H ATOM 308 1HB PHE A 19 -4.203 13.200 1.816 1.00 0.00 H ATOM 309 2HB PHE A 19 -3.004 13.062 3.092 1.00 0.00 H ATOM 310 HD1 PHE A 19 -5.826 11.139 1.568 1.00 0.00 H ATOM 311 HD2 PHE A 19 -2.008 11.018 3.482 1.00 0.00 H ATOM 312 HE1 PHE A 19 -5.722 8.697 1.203 1.00 0.00 H ATOM 313 HE2 PHE A 19 -1.900 8.575 3.117 1.00 0.00 H ATOM 314 HZ PHE A 19 -3.759 7.414 1.977 1.00 0.00 H ATOM 315 N ILE A 20 -5.495 11.482 5.499 1.00 0.00 N ATOM 316 CA ILE A 20 -5.280 10.754 6.745 1.00 0.00 C ATOM 317 C ILE A 20 -4.715 9.365 6.480 1.00 0.00 C ATOM 318 O ILE A 20 -5.299 8.578 5.736 1.00 0.00 O ATOM 319 CB ILE A 20 -6.591 10.631 7.543 1.00 0.00 C ATOM 320 CG1 ILE A 20 -7.234 12.008 7.729 1.00 0.00 C ATOM 321 CG2 ILE A 20 -6.333 9.975 8.891 1.00 0.00 C ATOM 322 CD1 ILE A 20 -6.357 12.998 8.461 1.00 0.00 C ATOM 323 H ILE A 20 -6.250 11.201 4.890 1.00 0.00 H ATOM 324 HA ILE A 20 -4.567 11.313 7.352 1.00 0.00 H ATOM 325 HB ILE A 20 -7.302 10.024 6.984 1.00 0.00 H ATOM 326 1HG1 ILE A 20 -7.482 12.428 6.754 1.00 0.00 H ATOM 327 2HG1 ILE A 20 -8.165 11.903 8.285 1.00 0.00 H ATOM 328 1HG2 ILE A 20 -7.270 9.897 9.443 1.00 0.00 H ATOM 329 2HG2 ILE A 20 -5.919 8.980 8.738 1.00 0.00 H ATOM 330 3HG2 ILE A 20 -5.626 10.579 9.461 1.00 0.00 H ATOM 331 1HD1 ILE A 20 -6.881 13.950 8.554 1.00 0.00 H ATOM 332 2HD1 ILE A 20 -6.125 12.614 9.455 1.00 0.00 H ATOM 333 3HD1 ILE A 20 -5.433 13.147 7.904 1.00 0.00 H ATOM 334 N PHE A 21 -3.574 9.069 7.095 1.00 0.00 N ATOM 335 CA PHE A 21 -2.928 7.773 6.928 1.00 0.00 C ATOM 336 C PHE A 21 -2.589 7.148 8.276 1.00 0.00 C ATOM 337 O PHE A 21 -1.769 7.677 9.028 1.00 0.00 O ATOM 338 CB PHE A 21 -1.655 7.914 6.092 1.00 0.00 C ATOM 339 CG PHE A 21 -1.073 6.603 5.647 1.00 0.00 C ATOM 340 CD1 PHE A 21 -1.703 5.843 4.672 1.00 0.00 C ATOM 341 CD2 PHE A 21 0.105 6.126 6.201 1.00 0.00 C ATOM 342 CE1 PHE A 21 -1.169 4.636 4.262 1.00 0.00 C ATOM 343 CE2 PHE A 21 0.642 4.921 5.792 1.00 0.00 C ATOM 344 CZ PHE A 21 0.004 4.175 4.822 1.00 0.00 C ATOM 345 H PHE A 21 -3.145 9.759 7.695 1.00 0.00 H ATOM 346 HA PHE A 21 -3.612 7.110 6.397 1.00 0.00 H ATOM 347 1HB PHE A 21 -1.867 8.511 5.205 1.00 0.00 H ATOM 348 2HB PHE A 21 -0.898 8.444 6.669 1.00 0.00 H ATOM 349 HD1 PHE A 21 -2.630 6.208 4.229 1.00 0.00 H ATOM 350 HD2 PHE A 21 0.609 6.715 6.968 1.00 0.00 H ATOM 351 HE1 PHE A 21 -1.675 4.049 3.496 1.00 0.00 H ATOM 352 HE2 PHE A 21 1.569 4.558 6.236 1.00 0.00 H ATOM 353 HZ PHE A 21 0.425 3.224 4.500 1.00 0.00 H ATOM 354 N LEU A 22 -3.223 6.020 8.575 1.00 0.00 N ATOM 355 CA LEU A 22 -3.020 5.342 9.850 1.00 0.00 C ATOM 356 C LEU A 22 -3.368 6.254 11.020 1.00 0.00 C ATOM 357 O LEU A 22 -2.856 6.082 12.126 1.00 0.00 O ATOM 358 CB LEU A 22 -1.565 4.872 9.974 1.00 0.00 C ATOM 359 CG LEU A 22 -1.056 3.979 8.836 1.00 0.00 C ATOM 360 CD1 LEU A 22 0.441 3.753 8.999 1.00 0.00 C ATOM 361 CD2 LEU A 22 -1.812 2.659 8.850 1.00 0.00 C ATOM 362 H LEU A 22 -3.863 5.621 7.903 1.00 0.00 H ATOM 363 HA LEU A 22 -3.674 4.472 9.887 1.00 0.00 H ATOM 364 1HB LEU A 22 -0.921 5.748 10.021 1.00 0.00 H ATOM 365 2HB LEU A 22 -1.458 4.317 10.905 1.00 0.00 H ATOM 366 HG LEU A 22 -1.216 4.479 7.881 1.00 0.00 H ATOM 367 1HD1 LEU A 22 0.804 3.118 8.190 1.00 0.00 H ATOM 368 2HD1 LEU A 22 0.959 4.712 8.966 1.00 0.00 H ATOM 369 3HD1 LEU A 22 0.634 3.268 9.955 1.00 0.00 H ATOM 370 1HD2 LEU A 22 -1.450 2.024 8.040 1.00 0.00 H ATOM 371 2HD2 LEU A 22 -1.651 2.157 9.804 1.00 0.00 H ATOM 372 3HD2 LEU A 22 -2.877 2.848 8.714 1.00 0.00 H ATOM 373 N GLY A 23 -4.240 7.223 10.769 1.00 0.00 N ATOM 374 CA GLY A 23 -4.726 8.109 11.821 1.00 0.00 C ATOM 375 C GLY A 23 -3.899 9.387 11.889 1.00 0.00 C ATOM 376 O GLY A 23 -4.221 10.306 12.641 1.00 0.00 O ATOM 377 H GLY A 23 -4.577 7.350 9.826 1.00 0.00 H ATOM 378 1HA GLY A 23 -5.771 8.357 11.636 1.00 0.00 H ATOM 379 2HA GLY A 23 -4.683 7.593 12.779 1.00 0.00 H ATOM 380 N TYR A 24 -2.833 9.439 11.098 1.00 0.00 N ATOM 381 CA TYR A 24 -1.943 10.593 11.087 1.00 0.00 C ATOM 382 C TYR A 24 -2.349 11.593 10.011 1.00 0.00 C ATOM 383 O TYR A 24 -2.757 11.208 8.916 1.00 0.00 O ATOM 384 CB TYR A 24 -0.493 10.148 10.878 1.00 0.00 C ATOM 385 CG TYR A 24 0.080 9.369 12.041 1.00 0.00 C ATOM 386 CD1 TYR A 24 0.028 7.983 12.039 1.00 0.00 C ATOM 387 CD2 TYR A 24 0.658 10.040 13.108 1.00 0.00 C ATOM 388 CE1 TYR A 24 0.551 7.271 13.101 1.00 0.00 C ATOM 389 CE2 TYR A 24 1.181 9.328 14.170 1.00 0.00 C ATOM 390 CZ TYR A 24 1.129 7.949 14.168 1.00 0.00 C ATOM 391 OH TYR A 24 1.651 7.240 15.226 1.00 0.00 O ATOM 392 H TYR A 24 -2.634 8.658 10.489 1.00 0.00 H ATOM 393 HA TYR A 24 -2.000 11.083 12.060 1.00 0.00 H ATOM 394 1HB TYR A 24 -0.429 9.525 9.985 1.00 0.00 H ATOM 395 2HB TYR A 24 0.135 11.023 10.712 1.00 0.00 H ATOM 396 HD1 TYR A 24 -0.427 7.455 11.200 1.00 0.00 H ATOM 397 HD2 TYR A 24 0.698 11.129 13.110 1.00 0.00 H ATOM 398 HE1 TYR A 24 0.510 6.182 13.100 1.00 0.00 H ATOM 399 HE2 TYR A 24 1.635 9.856 15.009 1.00 0.00 H ATOM 400 HH TYR A 24 1.961 7.851 15.898 1.00 0.00 H ATOM 401 N GLU A 25 -2.237 12.877 10.332 1.00 0.00 N ATOM 402 CA GLU A 25 -2.589 13.934 9.392 1.00 0.00 C ATOM 403 C GLU A 25 -1.432 14.242 8.451 1.00 0.00 C ATOM 404 O GLU A 25 -0.330 14.571 8.892 1.00 0.00 O ATOM 405 CB GLU A 25 -2.999 15.202 10.145 1.00 0.00 C ATOM 406 CG GLU A 25 -4.280 15.066 10.956 1.00 0.00 C ATOM 407 CD GLU A 25 -4.639 16.323 11.697 1.00 0.00 C ATOM 408 OE1 GLU A 25 -3.863 17.248 11.671 1.00 0.00 O ATOM 409 OE2 GLU A 25 -5.691 16.359 12.290 1.00 0.00 O ATOM 410 H GLU A 25 -1.899 13.127 11.250 1.00 0.00 H ATOM 411 HA GLU A 25 -3.443 13.601 8.800 1.00 0.00 H ATOM 412 1HB GLU A 25 -2.200 15.494 10.827 1.00 0.00 H ATOM 413 2HB GLU A 25 -3.137 16.018 9.435 1.00 0.00 H ATOM 414 1HG GLU A 25 -5.097 14.808 10.283 1.00 0.00 H ATOM 415 2HG GLU A 25 -4.161 14.251 11.668 1.00 0.00 H ATOM 416 N VAL A 26 -1.687 14.134 7.152 1.00 0.00 N ATOM 417 CA VAL A 26 -0.654 14.349 6.146 1.00 0.00 C ATOM 418 C VAL A 26 -0.953 15.582 5.303 1.00 0.00 C ATOM 419 O VAL A 26 -1.987 15.656 4.640 1.00 0.00 O ATOM 420 CB VAL A 26 -0.538 13.118 5.228 1.00 0.00 C ATOM 421 CG1 VAL A 26 0.528 13.344 4.166 1.00 0.00 C ATOM 422 CG2 VAL A 26 -0.220 11.882 6.056 1.00 0.00 C ATOM 423 H VAL A 26 -2.622 13.897 6.852 1.00 0.00 H ATOM 424 HA VAL A 26 0.299 14.497 6.656 1.00 0.00 H ATOM 425 HB VAL A 26 -1.485 12.974 4.707 1.00 0.00 H ATOM 426 1HG1 VAL A 26 0.596 12.464 3.525 1.00 0.00 H ATOM 427 2HG1 VAL A 26 0.262 14.212 3.562 1.00 0.00 H ATOM 428 3HG1 VAL A 26 1.490 13.517 4.647 1.00 0.00 H ATOM 429 1HG2 VAL A 26 -0.141 11.015 5.400 1.00 0.00 H ATOM 430 2HG2 VAL A 26 0.724 12.028 6.581 1.00 0.00 H ATOM 431 3HG2 VAL A 26 -1.017 11.716 6.782 1.00 0.00 H ATOM 432 N ARG A 27 -0.041 16.549 5.333 1.00 0.00 N ATOM 433 CA ARG A 27 -0.198 17.773 4.558 1.00 0.00 C ATOM 434 C ARG A 27 0.964 17.966 3.592 1.00 0.00 C ATOM 435 O ARG A 27 1.149 19.049 3.035 1.00 0.00 O ATOM 436 CB ARG A 27 -0.293 18.981 5.479 1.00 0.00 C ATOM 437 CG ARG A 27 -1.540 19.026 6.348 1.00 0.00 C ATOM 438 CD ARG A 27 -1.473 20.123 7.347 1.00 0.00 C ATOM 439 NE ARG A 27 -2.703 20.231 8.117 1.00 0.00 N ATOM 440 CZ ARG A 27 -3.017 19.451 9.170 1.00 0.00 C ATOM 441 NH1 ARG A 27 -2.184 18.514 9.566 1.00 0.00 N ATOM 442 NH2 ARG A 27 -4.162 19.629 9.805 1.00 0.00 N ATOM 443 H ARG A 27 0.781 16.431 5.907 1.00 0.00 H ATOM 444 HA ARG A 27 -1.122 17.704 3.984 1.00 0.00 H ATOM 445 1HB ARG A 27 0.571 19.001 6.142 1.00 0.00 H ATOM 446 2HB ARG A 27 -0.271 19.894 4.885 1.00 0.00 H ATOM 447 1HG ARG A 27 -2.416 19.188 5.719 1.00 0.00 H ATOM 448 2HG ARG A 27 -1.646 18.081 6.882 1.00 0.00 H ATOM 449 1HD ARG A 27 -0.653 19.935 8.040 1.00 0.00 H ATOM 450 2HD ARG A 27 -1.307 21.070 6.837 1.00 0.00 H ATOM 451 HE ARG A 27 -3.368 20.941 7.842 1.00 0.00 H ATOM 452 1HH1 ARG A 27 -1.309 18.378 9.080 1.00 0.00 H ATOM 453 2HH1 ARG A 27 -2.420 17.930 10.355 1.00 0.00 H ATOM 454 1HH2 ARG A 27 -4.803 20.350 9.500 1.00 0.00 H ATOM 455 2HH2 ARG A 27 -4.398 19.045 10.593 1.00 0.00 H ATOM 456 N ASP A 28 1.745 16.910 3.395 1.00 0.00 N ATOM 457 CA ASP A 28 2.901 16.965 2.507 1.00 0.00 C ATOM 458 C ASP A 28 3.395 15.566 2.159 1.00 0.00 C ATOM 459 O ASP A 28 3.089 14.598 2.854 1.00 0.00 O ATOM 460 CB ASP A 28 4.034 17.767 3.151 1.00 0.00 C ATOM 461 CG ASP A 28 5.072 18.240 2.142 1.00 0.00 C ATOM 462 OD1 ASP A 28 4.937 17.919 0.985 1.00 0.00 O ATOM 463 OD2 ASP A 28 5.991 18.916 2.538 1.00 0.00 O ATOM 464 H ASP A 28 1.534 16.045 3.874 1.00 0.00 H ATOM 465 HA ASP A 28 2.606 17.471 1.588 1.00 0.00 H ATOM 466 1HB ASP A 28 3.620 18.639 3.659 1.00 0.00 H ATOM 467 2HB ASP A 28 4.532 17.156 3.903 1.00 0.00 H ATOM 468 N GLU A 29 4.161 15.468 1.078 1.00 0.00 N ATOM 469 CA GLU A 29 4.749 14.198 0.668 1.00 0.00 C ATOM 470 C GLU A 29 5.851 13.766 1.627 1.00 0.00 C ATOM 471 O GLU A 29 6.063 12.574 1.848 1.00 0.00 O ATOM 472 CB GLU A 29 5.307 14.302 -0.753 1.00 0.00 C ATOM 473 CG GLU A 29 5.878 13.001 -1.301 1.00 0.00 C ATOM 474 CD GLU A 29 6.169 13.065 -2.775 1.00 0.00 C ATOM 475 OE1 GLU A 29 5.513 13.814 -3.459 1.00 0.00 O ATOM 476 OE2 GLU A 29 7.049 12.365 -3.217 1.00 0.00 O ATOM 477 H GLU A 29 4.341 16.294 0.525 1.00 0.00 H ATOM 478 HA GLU A 29 3.966 13.437 0.671 1.00 0.00 H ATOM 479 1HB GLU A 29 4.520 14.634 -1.430 1.00 0.00 H ATOM 480 2HB GLU A 29 6.099 15.051 -0.779 1.00 0.00 H ATOM 481 1HG GLU A 29 6.800 12.769 -0.770 1.00 0.00 H ATOM 482 2HG GLU A 29 5.168 12.197 -1.110 1.00 0.00 H ATOM 483 N ARG A 30 6.552 14.743 2.193 1.00 0.00 N ATOM 484 CA ARG A 30 7.616 14.467 3.151 1.00 0.00 C ATOM 485 C ARG A 30 7.064 13.822 4.416 1.00 0.00 C ATOM 486 O ARG A 30 7.749 13.040 5.074 1.00 0.00 O ATOM 487 CB ARG A 30 8.352 15.747 3.517 1.00 0.00 C ATOM 488 CG ARG A 30 9.199 16.340 2.402 1.00 0.00 C ATOM 489 CD ARG A 30 9.822 17.625 2.809 1.00 0.00 C ATOM 490 NE ARG A 30 8.835 18.682 2.963 1.00 0.00 N ATOM 491 CZ ARG A 30 9.087 19.893 3.496 1.00 0.00 C ATOM 492 NH1 ARG A 30 10.297 20.185 3.921 1.00 0.00 N ATOM 493 NH2 ARG A 30 8.119 20.788 3.592 1.00 0.00 N ATOM 494 H ARG A 30 6.343 15.702 1.952 1.00 0.00 H ATOM 495 HA ARG A 30 8.328 13.781 2.690 1.00 0.00 H ATOM 496 1HB ARG A 30 7.633 16.505 3.824 1.00 0.00 H ATOM 497 2HB ARG A 30 9.010 15.558 4.366 1.00 0.00 H ATOM 498 1HG ARG A 30 9.993 15.642 2.138 1.00 0.00 H ATOM 499 2HG ARG A 30 8.572 16.524 1.528 1.00 0.00 H ATOM 500 1HD ARG A 30 10.333 17.495 3.763 1.00 0.00 H ATOM 501 2HD ARG A 30 10.540 17.937 2.052 1.00 0.00 H ATOM 502 HE ARG A 30 7.892 18.494 2.647 1.00 0.00 H ATOM 503 1HH1 ARG A 30 11.036 19.501 3.848 1.00 0.00 H ATOM 504 2HH1 ARG A 30 10.486 21.093 4.321 1.00 0.00 H ATOM 505 1HH2 ARG A 30 7.189 20.563 3.265 1.00 0.00 H ATOM 506 2HH2 ARG A 30 8.308 21.695 3.991 1.00 0.00 H ATOM 507 N ILE A 31 5.821 14.155 4.750 1.00 0.00 N ATOM 508 CA ILE A 31 5.207 13.679 5.983 1.00 0.00 C ATOM 509 C ILE A 31 4.818 12.210 5.873 1.00 0.00 C ATOM 510 O ILE A 31 5.101 11.414 6.769 1.00 0.00 O ATOM 511 CB ILE A 31 3.964 14.515 6.335 1.00 0.00 C ATOM 512 CG1 ILE A 31 4.368 15.948 6.694 1.00 0.00 C ATOM 513 CG2 ILE A 31 3.197 13.872 7.480 1.00 0.00 C ATOM 514 CD1 ILE A 31 3.207 16.916 6.743 1.00 0.00 C ATOM 515 H ILE A 31 5.290 14.753 4.134 1.00 0.00 H ATOM 516 HA ILE A 31 5.927 13.790 6.794 1.00 0.00 H ATOM 517 HB ILE A 31 3.311 14.581 5.465 1.00 0.00 H ATOM 518 1HG1 ILE A 31 4.859 15.954 7.667 1.00 0.00 H ATOM 519 2HG1 ILE A 31 5.088 16.317 5.964 1.00 0.00 H ATOM 520 1HG2 ILE A 31 2.321 14.477 7.717 1.00 0.00 H ATOM 521 2HG2 ILE A 31 2.879 12.872 7.189 1.00 0.00 H ATOM 522 3HG2 ILE A 31 3.840 13.807 8.358 1.00 0.00 H ATOM 523 1HD1 ILE A 31 3.573 17.909 7.003 1.00 0.00 H ATOM 524 2HD1 ILE A 31 2.722 16.952 5.767 1.00 0.00 H ATOM 525 3HD1 ILE A 31 2.490 16.586 7.493 1.00 0.00 H ATOM 526 N ILE A 32 4.168 11.856 4.770 1.00 0.00 N ATOM 527 CA ILE A 32 3.758 10.477 4.531 1.00 0.00 C ATOM 528 C ILE A 32 4.966 9.560 4.388 1.00 0.00 C ATOM 529 O ILE A 32 4.924 8.396 4.787 1.00 0.00 O ATOM 530 CB ILE A 32 2.882 10.376 3.268 1.00 0.00 C ATOM 531 CG1 ILE A 32 2.349 8.951 3.101 1.00 0.00 C ATOM 532 CG2 ILE A 32 3.671 10.800 2.039 1.00 0.00 C ATOM 533 CD1 ILE A 32 1.363 8.538 4.170 1.00 0.00 C ATOM 534 H ILE A 32 3.953 12.560 4.078 1.00 0.00 H ATOM 535 HA ILE A 32 3.162 10.142 5.380 1.00 0.00 H ATOM 536 HB ILE A 32 2.015 11.026 3.374 1.00 0.00 H ATOM 537 1HG1 ILE A 32 1.861 8.856 2.132 1.00 0.00 H ATOM 538 2HG1 ILE A 32 3.182 8.246 3.117 1.00 0.00 H ATOM 539 1HG2 ILE A 32 3.038 10.722 1.156 1.00 0.00 H ATOM 540 2HG2 ILE A 32 4.002 11.831 2.158 1.00 0.00 H ATOM 541 3HG2 ILE A 32 4.539 10.151 1.922 1.00 0.00 H ATOM 542 1HD1 ILE A 32 1.031 7.517 3.985 1.00 0.00 H ATOM 543 2HD1 ILE A 32 1.843 8.592 5.148 1.00 0.00 H ATOM 544 3HD1 ILE A 32 0.504 9.208 4.150 1.00 0.00 H ATOM 545 N LYS A 33 6.042 10.091 3.817 1.00 0.00 N ATOM 546 CA LYS A 33 7.294 9.353 3.706 1.00 0.00 C ATOM 547 C LYS A 33 7.799 8.917 5.076 1.00 0.00 C ATOM 548 O LYS A 33 8.131 7.750 5.283 1.00 0.00 O ATOM 549 CB LYS A 33 8.354 10.200 3.000 1.00 0.00 C ATOM 550 CG LYS A 33 9.686 9.492 2.789 1.00 0.00 C ATOM 551 CD LYS A 33 10.672 10.380 2.045 1.00 0.00 C ATOM 552 CE LYS A 33 11.929 9.614 1.661 1.00 0.00 C ATOM 553 NZ LYS A 33 12.811 9.369 2.834 1.00 0.00 N ATOM 554 H LYS A 33 5.990 11.030 3.449 1.00 0.00 H ATOM 555 HA LYS A 33 7.120 8.464 3.098 1.00 0.00 H ATOM 556 1HB LYS A 33 7.981 10.510 2.024 1.00 0.00 H ATOM 557 2HB LYS A 33 8.544 11.103 3.580 1.00 0.00 H ATOM 558 1HG LYS A 33 10.112 9.221 3.755 1.00 0.00 H ATOM 559 2HG LYS A 33 9.526 8.580 2.214 1.00 0.00 H ATOM 560 1HD LYS A 33 10.202 10.767 1.139 1.00 0.00 H ATOM 561 2HD LYS A 33 10.951 11.223 2.677 1.00 0.00 H ATOM 562 1HE LYS A 33 11.652 8.655 1.225 1.00 0.00 H ATOM 563 2HE LYS A 33 12.487 10.179 0.915 1.00 0.00 H ATOM 564 1HZ LYS A 33 13.632 8.860 2.539 1.00 0.00 H ATOM 565 2HZ LYS A 33 13.091 10.254 3.236 1.00 0.00 H ATOM 566 3HZ LYS A 33 12.311 8.829 3.526 1.00 0.00 H ATOM 567 N GLU A 34 7.853 9.861 6.009 1.00 0.00 N ATOM 568 CA GLU A 34 8.312 9.574 7.363 1.00 0.00 C ATOM 569 C GLU A 34 7.393 8.576 8.055 1.00 0.00 C ATOM 570 O GLU A 34 7.855 7.688 8.773 1.00 0.00 O ATOM 571 CB GLU A 34 8.391 10.863 8.184 1.00 0.00 C ATOM 572 CG GLU A 34 9.516 11.802 7.773 1.00 0.00 C ATOM 573 CD GLU A 34 9.508 13.096 8.540 1.00 0.00 C ATOM 574 OE1 GLU A 34 8.568 13.331 9.261 1.00 0.00 O ATOM 575 OE2 GLU A 34 10.443 13.849 8.404 1.00 0.00 O ATOM 576 H GLU A 34 7.569 10.802 5.774 1.00 0.00 H ATOM 577 HA GLU A 34 9.314 9.148 7.306 1.00 0.00 H ATOM 578 1HB GLU A 34 7.451 11.409 8.096 1.00 0.00 H ATOM 579 2HB GLU A 34 8.528 10.617 9.237 1.00 0.00 H ATOM 580 1HG GLU A 34 10.470 11.302 7.937 1.00 0.00 H ATOM 581 2HG GLU A 34 9.427 12.016 6.709 1.00 0.00 H ATOM 582 N ILE A 35 6.092 8.725 7.837 1.00 0.00 N ATOM 583 CA ILE A 35 5.104 7.849 8.456 1.00 0.00 C ATOM 584 C ILE A 35 5.228 6.423 7.934 1.00 0.00 C ATOM 585 O ILE A 35 5.178 5.463 8.702 1.00 0.00 O ATOM 586 CB ILE A 35 3.676 8.366 8.204 1.00 0.00 C ATOM 587 CG1 ILE A 35 3.451 9.690 8.939 1.00 0.00 C ATOM 588 CG2 ILE A 35 2.651 7.330 8.640 1.00 0.00 C ATOM 589 CD1 ILE A 35 2.214 10.434 8.490 1.00 0.00 C ATOM 590 H ILE A 35 5.777 9.465 7.225 1.00 0.00 H ATOM 591 HA ILE A 35 5.276 7.842 9.533 1.00 0.00 H ATOM 592 HB ILE A 35 3.545 8.569 7.142 1.00 0.00 H ATOM 593 1HG1 ILE A 35 3.367 9.503 10.009 1.00 0.00 H ATOM 594 2HG1 ILE A 35 4.312 10.341 8.789 1.00 0.00 H ATOM 595 1HG2 ILE A 35 1.647 7.712 8.456 1.00 0.00 H ATOM 596 2HG2 ILE A 35 2.799 6.412 8.074 1.00 0.00 H ATOM 597 3HG2 ILE A 35 2.771 7.125 9.704 1.00 0.00 H ATOM 598 1HD1 ILE A 35 2.122 11.362 9.055 1.00 0.00 H ATOM 599 2HD1 ILE A 35 2.293 10.664 7.426 1.00 0.00 H ATOM 600 3HD1 ILE A 35 1.334 9.816 8.663 1.00 0.00 H ATOM 601 N LEU A 36 5.391 6.291 6.621 1.00 0.00 N ATOM 602 CA LEU A 36 5.544 4.983 5.996 1.00 0.00 C ATOM 603 C LEU A 36 6.788 4.270 6.509 1.00 0.00 C ATOM 604 O LEU A 36 6.763 3.067 6.768 1.00 0.00 O ATOM 605 CB LEU A 36 5.624 5.130 4.471 1.00 0.00 C ATOM 606 CG LEU A 36 4.310 5.496 3.768 1.00 0.00 C ATOM 607 CD1 LEU A 36 4.604 5.951 2.345 1.00 0.00 C ATOM 608 CD2 LEU A 36 3.377 4.294 3.777 1.00 0.00 C ATOM 609 H LEU A 36 5.409 7.119 6.043 1.00 0.00 H ATOM 610 HA LEU A 36 4.669 4.379 6.238 1.00 0.00 H ATOM 611 1HB LEU A 36 6.352 5.904 4.234 1.00 0.00 H ATOM 612 2HB LEU A 36 5.974 4.188 4.049 1.00 0.00 H ATOM 613 HG LEU A 36 3.836 6.327 4.292 1.00 0.00 H ATOM 614 1HD1 LEU A 36 3.671 6.211 1.846 1.00 0.00 H ATOM 615 2HD1 LEU A 36 5.257 6.823 2.370 1.00 0.00 H ATOM 616 3HD1 LEU A 36 5.094 5.145 1.800 1.00 0.00 H ATOM 617 1HD2 LEU A 36 2.443 4.555 3.278 1.00 0.00 H ATOM 618 2HD2 LEU A 36 3.850 3.464 3.252 1.00 0.00 H ATOM 619 3HD2 LEU A 36 3.170 4.002 4.806 1.00 0.00 H ATOM 620 N GLU A 37 7.876 5.018 6.654 1.00 0.00 N ATOM 621 CA GLU A 37 9.125 4.463 7.161 1.00 0.00 C ATOM 622 C GLU A 37 8.974 3.991 8.601 1.00 0.00 C ATOM 623 O GLU A 37 9.476 2.928 8.970 1.00 0.00 O ATOM 624 CB GLU A 37 10.246 5.502 7.069 1.00 0.00 C ATOM 625 CG GLU A 37 10.706 5.806 5.650 1.00 0.00 C ATOM 626 CD GLU A 37 11.594 7.017 5.571 1.00 0.00 C ATOM 627 OE1 GLU A 37 11.841 7.617 6.589 1.00 0.00 O ATOM 628 OE2 GLU A 37 12.027 7.341 4.490 1.00 0.00 O ATOM 629 H GLU A 37 7.837 5.997 6.407 1.00 0.00 H ATOM 630 HA GLU A 37 9.403 3.611 6.539 1.00 0.00 H ATOM 631 1HB GLU A 37 9.913 6.437 7.520 1.00 0.00 H ATOM 632 2HB GLU A 37 11.111 5.155 7.634 1.00 0.00 H ATOM 633 1HG GLU A 37 11.250 4.945 5.264 1.00 0.00 H ATOM 634 2HG GLU A 37 9.831 5.961 5.021 1.00 0.00 H ATOM 635 N GLU A 38 8.281 4.784 9.409 1.00 0.00 N ATOM 636 CA GLU A 38 7.998 4.412 10.790 1.00 0.00 C ATOM 637 C GLU A 38 7.076 3.201 10.857 1.00 0.00 C ATOM 638 O GLU A 38 7.250 2.322 11.700 1.00 0.00 O ATOM 639 CB GLU A 38 7.368 5.587 11.541 1.00 0.00 C ATOM 640 CG GLU A 38 7.076 5.311 13.009 1.00 0.00 C ATOM 641 CD GLU A 38 8.323 5.117 13.827 1.00 0.00 C ATOM 642 OE1 GLU A 38 9.335 5.672 13.473 1.00 0.00 O ATOM 643 OE2 GLU A 38 8.262 4.412 14.807 1.00 0.00 O ATOM 644 H GLU A 38 7.941 5.668 9.058 1.00 0.00 H ATOM 645 HA GLU A 38 8.939 4.162 11.281 1.00 0.00 H ATOM 646 1HB GLU A 38 8.032 6.450 11.489 1.00 0.00 H ATOM 647 2HB GLU A 38 6.431 5.866 11.060 1.00 0.00 H ATOM 648 1HG GLU A 38 6.512 6.148 13.420 1.00 0.00 H ATOM 649 2HG GLU A 38 6.456 4.419 13.084 1.00 0.00 H ATOM 650 N HIS A 39 6.095 3.161 9.961 1.00 0.00 N ATOM 651 CA HIS A 39 5.178 2.031 9.880 1.00 0.00 C ATOM 652 C HIS A 39 5.928 0.730 9.622 1.00 0.00 C ATOM 653 O HIS A 39 5.660 -0.289 10.258 1.00 0.00 O ATOM 654 CB HIS A 39 4.137 2.255 8.778 1.00 0.00 C ATOM 655 CG HIS A 39 3.172 1.121 8.623 1.00 0.00 C ATOM 656 ND1 HIS A 39 2.203 0.835 9.562 1.00 0.00 N ATOM 657 CD2 HIS A 39 3.026 0.202 7.639 1.00 0.00 C ATOM 658 CE1 HIS A 39 1.502 -0.211 9.161 1.00 0.00 C ATOM 659 NE2 HIS A 39 1.981 -0.613 7.999 1.00 0.00 N ATOM 660 H HIS A 39 5.981 3.933 9.321 1.00 0.00 H ATOM 661 HA HIS A 39 4.647 1.946 10.829 1.00 0.00 H ATOM 662 1HB HIS A 39 3.569 3.160 8.992 1.00 0.00 H ATOM 663 2HB HIS A 39 4.644 2.404 7.825 1.00 0.00 H ATOM 664 HD1 HIS A 39 1.994 1.374 10.378 1.00 0.00 H ATOM 665 HD2 HIS A 39 3.557 0.029 6.703 1.00 0.00 H ATOM 666 HE1 HIS A 39 0.683 -0.596 9.769 1.00 0.00 H ATOM 667 N GLN A 40 6.869 0.771 8.686 1.00 0.00 N ATOM 668 CA GLN A 40 7.656 -0.405 8.337 1.00 0.00 C ATOM 669 C GLN A 40 8.441 -0.918 9.537 1.00 0.00 C ATOM 670 O GLN A 40 8.576 -2.127 9.732 1.00 0.00 O ATOM 671 CB GLN A 40 8.611 -0.088 7.184 1.00 0.00 C ATOM 672 CG GLN A 40 7.924 0.119 5.845 1.00 0.00 C ATOM 673 CD GLN A 40 8.871 0.646 4.783 1.00 0.00 C ATOM 674 OE1 GLN A 40 9.974 1.106 5.089 1.00 0.00 O ATOM 675 NE2 GLN A 40 8.445 0.582 3.527 1.00 0.00 N ATOM 676 H GLN A 40 7.045 1.641 8.203 1.00 0.00 H ATOM 677 HA GLN A 40 6.975 -1.189 8.003 1.00 0.00 H ATOM 678 1HB GLN A 40 9.175 0.815 7.416 1.00 0.00 H ATOM 679 2HB GLN A 40 9.328 -0.901 7.071 1.00 0.00 H ATOM 680 1HG GLN A 40 7.523 -0.835 5.502 1.00 0.00 H ATOM 681 2HG GLN A 40 7.116 0.840 5.971 1.00 0.00 H ATOM 682 1HE2 GLN A 40 9.026 0.914 2.783 1.00 0.00 H ATOM 683 2HE2 GLN A 40 7.543 0.201 3.323 1.00 0.00 H ATOM 684 N ARG A 41 8.957 0.006 10.339 1.00 0.00 N ATOM 685 CA ARG A 41 9.729 -0.351 11.523 1.00 0.00 C ATOM 686 C ARG A 41 8.836 -0.946 12.605 1.00 0.00 C ATOM 687 O ARG A 41 9.242 -1.857 13.326 1.00 0.00 O ATOM 688 CB ARG A 41 10.451 0.867 12.079 1.00 0.00 C ATOM 689 CG ARG A 41 11.657 1.320 11.271 1.00 0.00 C ATOM 690 CD ARG A 41 12.475 2.312 12.014 1.00 0.00 C ATOM 691 NE ARG A 41 11.805 3.598 12.120 1.00 0.00 N ATOM 692 CZ ARG A 41 11.894 4.584 11.207 1.00 0.00 C ATOM 693 NH1 ARG A 41 12.627 4.418 10.128 1.00 0.00 N ATOM 694 NH2 ARG A 41 11.245 5.720 11.395 1.00 0.00 N ATOM 695 H ARG A 41 8.811 0.982 10.123 1.00 0.00 H ATOM 696 HA ARG A 41 10.476 -1.093 11.239 1.00 0.00 H ATOM 697 1HB ARG A 41 9.758 1.706 12.135 1.00 0.00 H ATOM 698 2HB ARG A 41 10.793 0.657 13.092 1.00 0.00 H ATOM 699 1HG ARG A 41 12.285 0.459 11.042 1.00 0.00 H ATOM 700 2HG ARG A 41 11.320 1.781 10.341 1.00 0.00 H ATOM 701 1HD ARG A 41 12.667 1.943 13.021 1.00 0.00 H ATOM 702 2HD ARG A 41 13.422 2.462 11.497 1.00 0.00 H ATOM 703 HE ARG A 41 11.231 3.763 12.936 1.00 0.00 H ATOM 704 1HH1 ARG A 41 13.124 3.550 9.984 1.00 0.00 H ATOM 705 2HH1 ARG A 41 12.694 5.157 9.444 1.00 0.00 H ATOM 706 1HH2 ARG A 41 10.681 5.848 12.225 1.00 0.00 H ATOM 707 2HH2 ARG A 41 11.312 6.459 10.712 1.00 0.00 H ATOM 708 N ARG A 42 7.618 -0.427 12.711 1.00 0.00 N ATOM 709 CA ARG A 42 6.678 -0.881 13.729 1.00 0.00 C ATOM 710 C ARG A 42 6.034 -2.204 13.332 1.00 0.00 C ATOM 711 O ARG A 42 5.755 -3.048 14.183 1.00 0.00 O ATOM 712 CB ARG A 42 5.591 0.159 13.957 1.00 0.00 C ATOM 713 CG ARG A 42 6.058 1.430 14.648 1.00 0.00 C ATOM 714 CD ARG A 42 4.955 2.414 14.794 1.00 0.00 C ATOM 715 NE ARG A 42 5.413 3.659 15.388 1.00 0.00 N ATOM 716 CZ ARG A 42 4.616 4.705 15.683 1.00 0.00 C ATOM 717 NH1 ARG A 42 3.327 4.640 15.434 1.00 0.00 N ATOM 718 NH2 ARG A 42 5.130 5.796 16.222 1.00 0.00 N ATOM 719 H ARG A 42 7.337 0.302 12.070 1.00 0.00 H ATOM 720 HA ARG A 42 7.221 -1.022 14.663 1.00 0.00 H ATOM 721 1HB ARG A 42 5.155 0.446 13.001 1.00 0.00 H ATOM 722 2HB ARG A 42 4.795 -0.273 14.563 1.00 0.00 H ATOM 723 1HG ARG A 42 6.434 1.187 15.643 1.00 0.00 H ATOM 724 2HG ARG A 42 6.854 1.892 14.063 1.00 0.00 H ATOM 725 1HD ARG A 42 4.535 2.637 13.814 1.00 0.00 H ATOM 726 2HD ARG A 42 4.178 1.997 15.434 1.00 0.00 H ATOM 727 HE ARG A 42 6.399 3.747 15.594 1.00 0.00 H ATOM 728 1HH1 ARG A 42 2.934 3.806 15.021 1.00 0.00 H ATOM 729 2HH1 ARG A 42 2.730 5.423 15.655 1.00 0.00 H ATOM 730 1HH2 ARG A 42 6.122 5.847 16.414 1.00 0.00 H ATOM 731 2HH2 ARG A 42 4.533 6.580 16.443 1.00 0.00 H ATOM 732 N LYS A 43 5.801 -2.377 12.037 1.00 0.00 N ATOM 733 CA LYS A 43 5.127 -3.568 11.533 1.00 0.00 C ATOM 734 C LYS A 43 5.961 -4.818 11.777 1.00 0.00 C ATOM 735 O LYS A 43 7.191 -4.761 11.806 1.00 0.00 O ATOM 736 OXT LYS A 43 5.421 -5.877 11.945 1.00 0.00 O ATOM 737 CB LYS A 43 4.824 -3.421 10.041 1.00 0.00 C ATOM 738 CG LYS A 43 4.045 -4.584 9.439 1.00 0.00 C ATOM 739 CD LYS A 43 3.689 -4.317 7.985 1.00 0.00 C ATOM 740 CE LYS A 43 2.913 -5.479 7.382 1.00 0.00 C ATOM 741 NZ LYS A 43 2.561 -5.233 5.957 1.00 0.00 N ATOM 742 H LYS A 43 6.097 -1.666 11.383 1.00 0.00 H ATOM 743 HA LYS A 43 4.175 -3.675 12.055 1.00 0.00 H ATOM 744 1HB LYS A 43 4.248 -2.511 9.874 1.00 0.00 H ATOM 745 2HB LYS A 43 5.758 -3.324 9.488 1.00 0.00 H ATOM 746 1HG LYS A 43 4.645 -5.493 9.497 1.00 0.00 H ATOM 747 2HG LYS A 43 3.128 -4.739 10.006 1.00 0.00 H ATOM 748 1HD LYS A 43 3.084 -3.412 7.918 1.00 0.00 H ATOM 749 2HD LYS A 43 4.602 -4.165 7.409 1.00 0.00 H ATOM 750 1HE LYS A 43 3.511 -6.387 7.444 1.00 0.00 H ATOM 751 2HE LYS A 43 1.995 -5.635 7.947 1.00 0.00 H ATOM 752 1HZ LYS A 43 2.048 -6.025 5.595 1.00 0.00 H ATOM 753 2HZ LYS A 43 1.990 -4.402 5.889 1.00 0.00 H ATOM 754 3HZ LYS A 43 3.406 -5.106 5.418 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE start02_0259_0002.pdb label fa_atr fa_rep fa_sol fa_intra_atr_xover4 fa_intra_rep_xover4 fa_intra_sol_xover4 lk_ball lk_ball_iso lk_ball_bridge lk_ball_bridge_uncpl fa_elec fa_intra_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun_dev fa_dun_rot fa_dun_semi p_aa_pp hxl_tors ref rama_prepro gen_bonded total weights 1 0.55 1 1 0.55 1 0.92 -0.38 -0.33 -0.33 1 1 1.25 1 1 1 1 1.25 0.48 0.69 0.76 0.78 0.61 1 1 0.5 1 NA pose -240.177 25.7163 202.609 -18.5223 8.16109 15.0624 102.215 -107.213 -0.37642 -2.61617 -91.3897 -12.1108 0 -28.6337 -2.58517 -3.12401 -14.4006 0 0.72325 3.56087 23.5189 53.528 -10.1353 2.29426 -30.0564 -3.03713 0 -126.988 ASP:NtermProteinFull_1 -3.5374 0.13323 5.89888 -0.26448 0.12968 1.00747 2.53458 -2.43492 -0.02731 -0.15212 -4.89181 -1.56272 0 0 0 -0.55691 -0.52488 0 0.28514 0.1352 0 1.65459 0 0 -2.3716 0 0 -4.54539 GLU_2 -5.09668 0.41454 4.83938 -0.46674 0.29793 1.47628 2.12752 -2.27116 -0.02752 -0.13961 -2.50787 -2.91897 0 0 0 0 -0.78595 0 0.02995 0.05029 0 3.98051 -0.23985 0 -2.7348 -0.17729 0 -4.15003 GLU_3 -4.6331 0.28094 6.9682 -0.46125 0.08174 0.9316 2.46545 -2.8477 -0.02752 -0.13961 -3.18987 -0.44367 0 0 0 0 -0.63067 0 0.07253 0.04989 0 3.2942 -0.25938 0 -2.7348 -0.35445 0 -1.57748 THR_4 -4.90136 0.34073 6.27579 -0.204 0.14901 0.07458 3.0267 -2.85445 -0.01693 -0.1539 -3.76102 -0.10358 0 0 0 -0.55691 -0.52488 0 -0.01161 0.03195 0.07957 0 -0.00899 2.28732 -1.0874 0.10858 0 -1.81081 ALA_5 -5.815 0.63707 3.02655 -0.02126 0 0 2.61233 -2.454 -0.02731 -0.15212 -1.43436 -0.35073 0 0 0 0 0 0 -0.02002 0 0 0 -0.17034 0 1.8394 0.36413 0 -1.96566 LYS_6 -7.20558 0.43615 7.84301 -0.47033 0.18479 0.24313 3.45632 -3.41241 -0 -0 -4.59322 0.12679 0 0 0 0 -0.63067 0 0.00741 0.07159 2.59545 0 0.01192 0 -1.5107 -0.00215 0 -2.8485 GLU_7 -4.98355 0.28015 6.00109 -0.21443 0.02694 0.29851 2.523 -2.69922 -0.01693 -0.1539 -1.77053 -0.59315 0 0 0 0 0 0 0.02038 0.06022 0 3.01502 -0.23377 0 -2.7348 -0.26341 0 -1.43841 LEU_8 -6.09538 0.50546 4.20598 -0.50155 0.43136 0.12114 2.47447 -2.50891 -0 -0 -2.2347 0.2387 0 0 0 0 0 0 0.18521 0.16925 0.2907 0 -0.29959 0 0.18072 -0.22511 0 -3.06226 VAL_9 -8.71962 1.81641 3.82388 -0.30999 0.26678 0.07008 3.11752 -3.11987 -0 -0 -2.02474 -0.05916 0 0 0 0 0 0 -0.0702 0.06748 0.06943 0 -0.36457 0 1.9342 0.10725 0 -3.39511 ARG_10 -6.40018 0.36213 7.37797 -0.44583 0.07192 0.22148 3.24374 -3.21821 -0 -0 -3.91226 0.39049 0 0 0 0 -1.17368 0 0.19746 0.1353 2.08983 0 -0.13527 0 -1.2888 0.18738 0 -2.29653 GLU_11 -5.00625 0.26299 6.38226 -0.63344 0.14441 1.1545 2.81925 -2.89222 -0 -0 -2.37948 -0.59177 0 0 0 0 -0.62298 0 0.08768 0.02079 0 3.39633 -0.18571 0 -2.7348 -0.06928 0 -0.84772 ALA_12 -5.91677 0.24636 5.1987 -0.02183 0 0 3.53872 -3.13662 -0 -0 -2.66665 -0.35981 0 0 0 0 0 0 -0.03415 0 0 0 -0.27993 0 1.8394 -0.16617 0 -1.75874 LEU_13 -6.11504 0.8087 4.66394 -0.50129 0.49203 0.11689 2.30133 -2.80324 -0 -0 -1.49383 0.26161 0 0 0 0 0 0 0.0609 0.06407 0.46067 0 -0.25164 0 0.18072 0.00479 0 -1.74937 LYS_14 -3.62989 0.25806 4.23244 -0.30885 0.02815 0.14114 1.64166 -1.91624 -0 -0 -0.87741 -0.01945 0 0 0 0 0 0 -0.04156 0.03185 1.72816 0 -0.05719 0 -1.5107 -0.12318 0 -0.42302 ASN_15 -4.85425 0.56194 5.6287 -0.19344 0.03039 0.30485 2.35524 -2.61859 -0 -0 -1.99479 -0.45268 0 0 0 -0.51906 -0.62298 0 -0.0677 0.09522 0 1.98071 -0.46835 0 -0.93687 -0.59357 0 -2.36524 ASN_16 -2.93641 0.28099 3.79994 -0.19319 0.03058 0.32797 1.24576 -1.85173 -0 -0 -0.78353 -1.01229 0 0 0 0 0 0 -0.09112 0.01234 0 1.91938 -1.01686 0 -0.93687 -0.69988 0 -1.90493 GLN_17 -4.12492 0.34165 4.11713 -0.60852 0.08037 0.63524 1.63878 -2.03928 -0.01416 -0.1363 -1.66603 -0.57786 0 0 0 -0.51906 0 0 0.11332 0.03443 0 2.09571 -0.02917 0 -0.18838 -0.39377 0 -1.24082 LEU_18 -4.58916 0.43866 1.27733 -0.60363 0.36003 0.15122 0.07066 -1.2613 -0.00508 -0.01608 -0.20942 0.36311 0 0 0 0 0 0 -0.0598 0.02991 0.56536 0 -0.36911 0 0.18072 -0.19478 0 -3.87133 PHE_19 -8.41552 1.06174 2.6916 -0.73651 0.04389 0.05075 2.1149 -2.46275 -0.01102 -0.03545 -1.64116 -0.40222 0 0 0 0 0 0 -0.03306 0.04966 0 2.73323 -0.16086 0 1.0402 -0.25069 0 -4.36326 ILE_20 -5.04897 0.40148 1.37879 -0.65475 1.00418 0.12807 0.62464 -1.63718 -0.00508 -0.01608 -0.11456 0.39359 0 0 0 0 0 0 -0.03532 0.08115 0.97734 0 -0.76584 0 0.73287 -0.46558 0 -3.02125 PHE_21 -8.01465 1.94575 1.77052 -0.73772 0.0478 0.10872 2.19513 -2.10399 -0.00928 -0.03068 -1.37741 -0.48179 0 0 0 0 0 0 -0.07018 0.27055 0 2.65083 -0.19393 0 1.0402 -0.0884 0 -3.07853 LEU_22 -4.31195 0.76962 1.10222 -0.52867 0.3462 0.16104 0.47643 -1.12976 -0 -0 0.28683 -0.08785 0 0 0 0 0 0 0.04853 0.1553 0.24198 0 0.53242 0 0.18072 0.80262 0 -0.9543 GLY_23 -1.89915 0.35884 1.5033 -6e-05 0 0 0.55127 -0.9623 -0 -0 0.09697 -0.39837 0 0 0 0 0 0 -0.158 0 0 0 -1.5146 0 0.83697 0.13315 0 -1.45199 TYR_24 -5.70898 0.53728 4.29579 -0.59536 0.02971 0.28808 2.90841 -2.51009 -0.00118 -0.00584 -2.34859 -0.07599 0 0 0 0 -0.44686 0 -0.00734 0.00234 0 2.02253 -0.22874 0.00695 1.2797 -0.64353 0 -1.20172 GLU_25 -4.12938 0.45937 2.7316 -0.22809 0.03406 0.35501 1.35704 -1.54023 -0.0119 -0.04016 -1.99097 -0.49145 0 0 0 0 -0.90586 0 -0.05558 0.00668 0 3.55046 0.11704 0 -2.7348 -0.24429 0 -3.76148 VAL_26 -8.06194 1.2164 1.74002 -0.28023 0.19688 0.06241 2.50494 -2.2837 -0.01242 -0.13153 -1.3226 -0.29486 0 0 0 0 0 0 0.01093 0.00549 0.17901 0 -0.68574 0 1.9342 -0.25588 0 -5.4786 ARG_27 -4.44844 0.51791 3.05759 -0.69057 0.22093 0.52195 1.49105 -1.72423 -0.0119 -0.04016 -0.91565 -0.13938 0 0 0 0 -0.90586 0 -0.05311 0.00963 1.82016 0 -0.22256 0 -1.2888 -0.12084 0 -2.92229 ASP_28 -6.05491 0.60133 6.3093 -0.1248 0.02936 0.38441 3.64345 -3.06283 -0 -0 -4.5571 -1.58438 0 0 0 -0.48603 -0.61271 0 0.02107 0.03872 0 2.63861 0.21377 0 -2.3716 0.64062 0 -4.33372 GLU_29 -4.70652 0.96186 5.25638 -0.35278 0.07723 0.42752 2.6939 -2.39231 -0 -0 -4.02555 -0.59654 0 0 0 -0.48603 -1.17368 0 0.06624 0.09293 0 4.58489 -0.3435 0 -2.7348 0.30353 0 -2.34723 ARG_30 -4.09658 0.15832 5.3617 -0.66068 0.09615 0.43922 2.15691 -2.24074 -0 -0 -2.28795 0.58875 0 0 0 0 -0.61271 0 -0.02458 0.03076 2.21325 0 -0.18261 0 -1.2888 -0.38976 0 -0.73935 ILE_31 -7.39738 0.89888 4.506 -0.50987 0.59738 0.09965 2.92202 -2.82681 -0.0181 -0.16219 -0.97008 0.07167 0 0 0 0 0 0 0.00467 0.05688 0.65921 0 -0.49618 0 0.73287 -0.0046 0 -1.83598 ILE_32 -10.0239 2.47383 2.43068 -0.75925 0.95672 0.28021 2.48177 -2.78902 -0 -0 -1.29706 0.50408 0 0 0 0 0 0 0.15353 0.49215 0.96799 0 -0.00112 0 0.73287 0.13721 0 -3.25933 LYS_33 -5.68783 0.72195 7.07555 -0.46696 0.07629 0.30037 3.26366 -3.09356 -0 -0 -3.54673 0.18055 0 0 0 0 -0.41538 0 0.01603 0.11569 2.22012 0 0.07245 0 -1.5107 0.26945 0 -0.40904 GLU_34 -4.61299 0.15285 5.82429 -0.21552 0.03041 0.30261 2.41325 -2.6033 -0.05237 -0.42459 -1.52663 -0.59222 0 0 0 0 0 0 -0.04181 0.00733 0 3.00027 -0.2519 0 -2.7348 0.06919 0 -1.25592 ILE_35 -7.84244 0.93488 3.97363 -0.51423 0.59753 0.10194 2.83496 -2.73514 -0 -0 -1.99697 0.05786 0 0 0 0 0 0 -0.03945 0.06289 0.65024 0 -0.42338 0 0.73287 -0.07909 0 -3.68391 LEU_36 -8.61334 1.02333 4.49388 -0.49505 0.38579 0.11852 2.96549 -2.96994 -0 -0 -2.43334 0.23351 0 0 0 0 0 0 0.03317 0.35544 0.39844 0 -0.25799 0 0.18072 0.17568 0 -4.40568 GLU_37 -6.29658 0.28242 8.53167 -0.21733 0.04058 0.32558 3.47489 -3.66814 -0.03642 -0.30828 -3.95342 -0.62179 0 0 0 0 -0.41538 0 0.21336 0.18549 0 3.07984 -0.20106 0 -2.7348 -0.09054 0 -2.40991 GLU_38 -6.99825 0.4813 9.04079 -0.64424 0.15233 1.17781 3.9856 -3.79287 -0 -0 -4.55691 -0.5629 0 0 0 0 -1.08132 0 0.14542 0.02753 0 3.52041 -0.27229 0 -2.7348 -0.36205 0 -2.47443 HIS_D_39 -6.36468 0.38443 6.21976 -0.72989 0.01367 0.79146 3.06336 -3.05329 -0.00685 -0.06205 -2.72383 -0.29196 0 0 0 0 0 0 -0.01438 0.01237 0 1.66204 -0.05338 0 -0.45461 0.01413 0 -1.59371 GLN_40 -4.88762 0.30629 5.82052 -0.26466 0.04808 0.20608 2.51008 -2.62904 -0.01424 -0.12288 -1.42419 -0.48024 0 0 0 0 -0.78595 0 -0.02731 0.11061 0 2.74847 -0.1694 0 -0.18838 0.2654 0 1.02161 ARG_41 -4.99476 0.25329 6.52492 -0.76887 0.19229 0.50635 2.30521 -2.8488 -0.01486 -0.12474 -1.98344 0.36834 0 0 0 0 -0.39836 0 -0.04404 0.2453 1.58787 0 -0.13912 0 -1.2888 -0.07627 0 -0.69849 ARG_42 -4.42063 0.31585 5.68144 -0.44231 0.05207 0.22585 2.54591 -2.26151 -0.00118 -0.00584 -1.97873 0.31873 0 0 0 0 -1.12982 0 -0.04935 0.07917 2.00866 0 -0.14896 0 -1.2888 -0.19989 0 -0.69933 LYS:CtermProteinFull_43 -2.57889 0.09091 3.72615 -0.47982 0.08546 0.42277 1.53722 -1.55094 -0.00685 -0.06205 -0.40915 -0.06081 0 0 0 0 0 0 0 0.00706 1.71544 0 0 0 -1.5107 -0.0858 0 0.83999 #END_POSE_ENERGIES_TABLE start02_0259_0002.pdb score_per_res -2.95321 total_score -126.988
HEEH_KT_rd6_3813.pdb
ATOM 1 N ASP A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA ASP A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C ASP A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O ASP A 1 1.367 2.345 -0.499 1.00 0.00 O ATOM 5 CB ASP A 1 1.994 -0.762 -1.214 1.00 0.00 C ATOM 6 CG ASP A 1 1.557 -2.220 -1.240 1.00 0.00 C ATOM 7 OD1 ASP A 1 1.029 -2.679 -0.254 1.00 0.00 O ATOM 8 OD2 ASP A 1 1.755 -2.861 -2.244 1.00 0.00 O ATOM 9 1H ASP A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 10 2H ASP A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 11 3H ASP A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 12 HA ASP A 1 1.804 -0.509 0.900 1.00 0.00 H ATOM 13 1HB ASP A 1 1.650 -0.278 -2.129 1.00 0.00 H ATOM 14 2HB ASP A 1 3.084 -0.724 -1.215 1.00 0.00 H ATOM 15 N GLU A 2 3.201 1.587 0.562 1.00 0.00 N ATOM 16 CA GLU A 2 3.807 2.906 0.696 1.00 0.00 C ATOM 17 C GLU A 2 4.181 3.481 -0.664 1.00 0.00 C ATOM 18 O GLU A 2 3.990 4.670 -0.920 1.00 0.00 O ATOM 19 CB GLU A 2 5.048 2.833 1.589 1.00 0.00 C ATOM 20 CG GLU A 2 4.756 2.503 3.046 1.00 0.00 C ATOM 21 CD GLU A 2 4.484 1.042 3.272 1.00 0.00 C ATOM 22 OE1 GLU A 2 4.555 0.291 2.328 1.00 0.00 O ATOM 23 OE2 GLU A 2 4.204 0.676 4.389 1.00 0.00 O ATOM 24 H GLU A 2 3.701 0.779 0.906 1.00 0.00 H ATOM 25 HA GLU A 2 3.086 3.572 1.171 1.00 0.00 H ATOM 26 1HB GLU A 2 5.730 2.074 1.205 1.00 0.00 H ATOM 27 2HB GLU A 2 5.573 3.788 1.562 1.00 0.00 H ATOM 28 1HG GLU A 2 5.611 2.800 3.654 1.00 0.00 H ATOM 29 2HG GLU A 2 3.894 3.083 3.373 1.00 0.00 H ATOM 30 N GLU A 3 4.715 2.631 -1.534 1.00 0.00 N ATOM 31 CA GLU A 3 5.216 3.073 -2.829 1.00 0.00 C ATOM 32 C GLU A 3 4.093 3.633 -3.693 1.00 0.00 C ATOM 33 O GLU A 3 4.263 4.647 -4.370 1.00 0.00 O ATOM 34 CB GLU A 3 5.905 1.917 -3.558 1.00 0.00 C ATOM 35 CG GLU A 3 7.160 1.400 -2.871 1.00 0.00 C ATOM 36 CD GLU A 3 6.862 0.445 -1.749 1.00 0.00 C ATOM 37 OE1 GLU A 3 5.710 0.166 -1.522 1.00 0.00 O ATOM 38 OE2 GLU A 3 7.789 -0.007 -1.119 1.00 0.00 O ATOM 39 H GLU A 3 4.776 1.652 -1.291 1.00 0.00 H ATOM 40 HA GLU A 3 5.955 3.859 -2.665 1.00 0.00 H ATOM 41 1HB GLU A 3 5.209 1.083 -3.656 1.00 0.00 H ATOM 42 2HB GLU A 3 6.180 2.234 -4.564 1.00 0.00 H ATOM 43 1HG GLU A 3 7.783 0.894 -3.609 1.00 0.00 H ATOM 44 2HG GLU A 3 7.723 2.247 -2.481 1.00 0.00 H ATOM 45 N ILE A 4 2.942 2.968 -3.663 1.00 0.00 N ATOM 46 CA ILE A 4 1.797 3.381 -4.464 1.00 0.00 C ATOM 47 C ILE A 4 1.236 4.710 -3.977 1.00 0.00 C ATOM 48 O ILE A 4 0.952 5.605 -4.773 1.00 0.00 O ATOM 49 CB ILE A 4 0.689 2.313 -4.431 1.00 0.00 C ATOM 50 CG1 ILE A 4 1.159 1.035 -5.131 1.00 0.00 C ATOM 51 CG2 ILE A 4 -0.581 2.843 -5.079 1.00 0.00 C ATOM 52 CD1 ILE A 4 0.267 -0.161 -4.883 1.00 0.00 C ATOM 53 H ILE A 4 2.861 2.154 -3.070 1.00 0.00 H ATOM 54 HA ILE A 4 2.123 3.497 -5.499 1.00 0.00 H ATOM 55 HB ILE A 4 0.473 2.044 -3.397 1.00 0.00 H ATOM 56 1HG1 ILE A 4 1.208 1.206 -6.206 1.00 0.00 H ATOM 57 2HG1 ILE A 4 2.165 0.784 -4.795 1.00 0.00 H ATOM 58 1HG2 ILE A 4 -1.353 2.075 -5.048 1.00 0.00 H ATOM 59 2HG2 ILE A 4 -0.924 3.724 -4.539 1.00 0.00 H ATOM 60 3HG2 ILE A 4 -0.376 3.109 -6.116 1.00 0.00 H ATOM 61 1HD1 ILE A 4 0.665 -1.027 -5.411 1.00 0.00 H ATOM 62 2HD1 ILE A 4 0.232 -0.372 -3.813 1.00 0.00 H ATOM 63 3HD1 ILE A 4 -0.737 0.054 -5.244 1.00 0.00 H ATOM 64 N LEU A 5 1.077 4.835 -2.663 1.00 0.00 N ATOM 65 CA LEU A 5 0.547 6.055 -2.067 1.00 0.00 C ATOM 66 C LEU A 5 1.502 7.224 -2.268 1.00 0.00 C ATOM 67 O LEU A 5 1.075 8.352 -2.514 1.00 0.00 O ATOM 68 CB LEU A 5 0.293 5.847 -0.568 1.00 0.00 C ATOM 69 CG LEU A 5 -0.920 4.977 -0.214 1.00 0.00 C ATOM 70 CD1 LEU A 5 -0.837 4.562 1.249 1.00 0.00 C ATOM 71 CD2 LEU A 5 -2.199 5.752 -0.492 1.00 0.00 C ATOM 72 H LEU A 5 1.329 4.062 -2.063 1.00 0.00 H ATOM 73 HA LEU A 5 -0.402 6.291 -2.549 1.00 0.00 H ATOM 74 1HB LEU A 5 1.174 5.383 -0.128 1.00 0.00 H ATOM 75 2HB LEU A 5 0.150 6.821 -0.101 1.00 0.00 H ATOM 76 HG LEU A 5 -0.906 4.070 -0.819 1.00 0.00 H ATOM 77 1HD1 LEU A 5 -1.699 3.943 1.500 1.00 0.00 H ATOM 78 2HD1 LEU A 5 0.077 3.993 1.414 1.00 0.00 H ATOM 79 3HD1 LEU A 5 -0.832 5.450 1.879 1.00 0.00 H ATOM 80 1HD2 LEU A 5 -3.061 5.133 -0.241 1.00 0.00 H ATOM 81 2HD2 LEU A 5 -2.214 6.658 0.114 1.00 0.00 H ATOM 82 3HD2 LEU A 5 -2.240 6.020 -1.547 1.00 0.00 H ATOM 83 N THR A 6 2.798 6.950 -2.161 1.00 0.00 N ATOM 84 CA THR A 6 3.816 7.979 -2.331 1.00 0.00 C ATOM 85 C THR A 6 3.745 8.599 -3.720 1.00 0.00 C ATOM 86 O THR A 6 3.744 9.822 -3.864 1.00 0.00 O ATOM 87 CB THR A 6 5.227 7.410 -2.090 1.00 0.00 C ATOM 88 OG1 THR A 6 5.333 6.946 -0.738 1.00 0.00 O ATOM 89 CG2 THR A 6 6.282 8.476 -2.340 1.00 0.00 C ATOM 90 H THR A 6 3.085 6.003 -1.956 1.00 0.00 H ATOM 91 HA THR A 6 3.646 8.761 -1.589 1.00 0.00 H ATOM 92 HB THR A 6 5.400 6.570 -2.763 1.00 0.00 H ATOM 93 HG1 THR A 6 4.807 6.149 -0.632 1.00 0.00 H ATOM 94 1HG2 THR A 6 7.272 8.056 -2.166 1.00 0.00 H ATOM 95 2HG2 THR A 6 6.211 8.823 -3.371 1.00 0.00 H ATOM 96 3HG2 THR A 6 6.120 9.314 -1.664 1.00 0.00 H ATOM 97 N LEU A 7 3.688 7.750 -4.739 1.00 0.00 N ATOM 98 CA LEU A 7 3.620 8.214 -6.120 1.00 0.00 C ATOM 99 C LEU A 7 2.258 8.822 -6.430 1.00 0.00 C ATOM 100 O LEU A 7 2.165 9.848 -7.105 1.00 0.00 O ATOM 101 CB LEU A 7 3.900 7.054 -7.083 1.00 0.00 C ATOM 102 CG LEU A 7 5.318 6.471 -7.028 1.00 0.00 C ATOM 103 CD1 LEU A 7 5.377 5.198 -7.862 1.00 0.00 C ATOM 104 CD2 LEU A 7 6.312 7.504 -7.536 1.00 0.00 C ATOM 105 H LEU A 7 3.691 6.758 -4.554 1.00 0.00 H ATOM 106 HA LEU A 7 4.385 8.977 -6.267 1.00 0.00 H ATOM 107 1HB LEU A 7 3.201 6.247 -6.867 1.00 0.00 H ATOM 108 2HB LEU A 7 3.722 7.397 -8.102 1.00 0.00 H ATOM 109 HG LEU A 7 5.563 6.207 -5.999 1.00 0.00 H ATOM 110 1HD1 LEU A 7 6.384 4.784 -7.823 1.00 0.00 H ATOM 111 2HD1 LEU A 7 4.670 4.469 -7.465 1.00 0.00 H ATOM 112 3HD1 LEU A 7 5.119 5.428 -8.895 1.00 0.00 H ATOM 113 1HD2 LEU A 7 7.320 7.090 -7.496 1.00 0.00 H ATOM 114 2HD2 LEU A 7 6.068 7.768 -8.566 1.00 0.00 H ATOM 115 3HD2 LEU A 7 6.261 8.396 -6.912 1.00 0.00 H ATOM 116 N ALA A 8 1.204 8.184 -5.935 1.00 0.00 N ATOM 117 CA ALA A 8 -0.156 8.653 -6.170 1.00 0.00 C ATOM 118 C ALA A 8 -0.376 10.032 -5.561 1.00 0.00 C ATOM 119 O ALA A 8 -1.030 10.887 -6.157 1.00 0.00 O ATOM 120 CB ALA A 8 -1.162 7.659 -5.608 1.00 0.00 C ATOM 121 H ALA A 8 1.348 7.351 -5.381 1.00 0.00 H ATOM 122 HA ALA A 8 -0.319 8.716 -7.246 1.00 0.00 H ATOM 123 1HB ALA A 8 -2.174 8.023 -5.792 1.00 0.00 H ATOM 124 2HB ALA A 8 -1.030 6.693 -6.095 1.00 0.00 H ATOM 125 3HB ALA A 8 -1.006 7.550 -4.536 1.00 0.00 H ATOM 126 N GLU A 9 0.175 10.241 -4.369 1.00 0.00 N ATOM 127 CA GLU A 9 0.052 11.522 -3.684 1.00 0.00 C ATOM 128 C GLU A 9 0.739 12.634 -4.467 1.00 0.00 C ATOM 129 O GLU A 9 0.191 13.726 -4.624 1.00 0.00 O ATOM 130 CB GLU A 9 0.647 11.434 -2.277 1.00 0.00 C ATOM 131 CG GLU A 9 0.478 12.695 -1.442 1.00 0.00 C ATOM 132 CD GLU A 9 0.954 12.528 -0.026 1.00 0.00 C ATOM 133 OE1 GLU A 9 1.365 11.446 0.318 1.00 0.00 O ATOM 134 OE2 GLU A 9 0.907 13.483 0.712 1.00 0.00 O ATOM 135 H GLU A 9 0.690 9.495 -3.928 1.00 0.00 H ATOM 136 HA GLU A 9 -1.007 11.765 -3.589 1.00 0.00 H ATOM 137 1HB GLU A 9 0.182 10.610 -1.737 1.00 0.00 H ATOM 138 2HB GLU A 9 1.714 11.219 -2.346 1.00 0.00 H ATOM 139 1HG GLU A 9 1.038 13.505 -1.909 1.00 0.00 H ATOM 140 2HG GLU A 9 -0.575 12.975 -1.436 1.00 0.00 H ATOM 141 N GLU A 10 1.941 12.351 -4.957 1.00 0.00 N ATOM 142 CA GLU A 10 2.676 13.303 -5.780 1.00 0.00 C ATOM 143 C GLU A 10 1.934 13.599 -7.078 1.00 0.00 C ATOM 144 O GLU A 10 1.896 14.741 -7.535 1.00 0.00 O ATOM 145 CB GLU A 10 4.076 12.769 -6.092 1.00 0.00 C ATOM 146 CG GLU A 10 5.016 12.733 -4.897 1.00 0.00 C ATOM 147 CD GLU A 10 6.343 12.102 -5.214 1.00 0.00 C ATOM 148 OE1 GLU A 10 6.504 11.623 -6.311 1.00 0.00 O ATOM 149 OE2 GLU A 10 7.197 12.099 -4.359 1.00 0.00 O ATOM 150 H GLU A 10 2.355 11.452 -4.755 1.00 0.00 H ATOM 151 HA GLU A 10 2.786 14.232 -5.221 1.00 0.00 H ATOM 152 1HB GLU A 10 3.998 11.755 -6.487 1.00 0.00 H ATOM 153 2HB GLU A 10 4.537 13.386 -6.863 1.00 0.00 H ATOM 154 1HG GLU A 10 5.186 13.753 -4.551 1.00 0.00 H ATOM 155 2HG GLU A 10 4.540 12.180 -4.089 1.00 0.00 H ATOM 156 N ALA A 11 1.344 12.565 -7.666 1.00 0.00 N ATOM 157 CA ALA A 11 0.593 12.714 -8.906 1.00 0.00 C ATOM 158 C ALA A 11 -0.596 13.648 -8.722 1.00 0.00 C ATOM 159 O ALA A 11 -0.824 14.546 -9.533 1.00 0.00 O ATOM 160 CB ALA A 11 0.127 11.356 -9.409 1.00 0.00 C ATOM 161 H ALA A 11 1.418 11.650 -7.243 1.00 0.00 H ATOM 162 HA ALA A 11 1.255 13.136 -9.663 1.00 0.00 H ATOM 163 1HB ALA A 11 -0.432 11.484 -10.337 1.00 0.00 H ATOM 164 2HB ALA A 11 0.992 10.718 -9.592 1.00 0.00 H ATOM 165 3HB ALA A 11 -0.514 10.892 -8.661 1.00 0.00 H ATOM 166 N LEU A 12 -1.352 13.431 -7.651 1.00 0.00 N ATOM 167 CA LEU A 12 -2.514 14.260 -7.352 1.00 0.00 C ATOM 168 C LEU A 12 -2.097 15.668 -6.951 1.00 0.00 C ATOM 169 O LEU A 12 -2.722 16.650 -7.351 1.00 0.00 O ATOM 170 CB LEU A 12 -3.343 13.625 -6.228 1.00 0.00 C ATOM 171 CG LEU A 12 -4.035 12.302 -6.578 1.00 0.00 C ATOM 172 CD1 LEU A 12 -4.554 11.648 -5.305 1.00 0.00 C ATOM 173 CD2 LEU A 12 -5.168 12.565 -7.558 1.00 0.00 C ATOM 174 H LEU A 12 -1.116 12.672 -7.028 1.00 0.00 H ATOM 175 HA LEU A 12 -3.135 14.320 -8.247 1.00 0.00 H ATOM 176 1HB LEU A 12 -2.690 13.442 -5.376 1.00 0.00 H ATOM 177 2HB LEU A 12 -4.114 14.332 -5.923 1.00 0.00 H ATOM 178 HG LEU A 12 -3.313 11.622 -7.031 1.00 0.00 H ATOM 179 1HD1 LEU A 12 -5.047 10.707 -5.553 1.00 0.00 H ATOM 180 2HD1 LEU A 12 -3.721 11.453 -4.630 1.00 0.00 H ATOM 181 3HD1 LEU A 12 -5.268 12.313 -4.819 1.00 0.00 H ATOM 182 1HD2 LEU A 12 -5.660 11.625 -7.808 1.00 0.00 H ATOM 183 2HD2 LEU A 12 -5.891 13.244 -7.105 1.00 0.00 H ATOM 184 3HD2 LEU A 12 -4.766 13.016 -8.466 1.00 0.00 H ATOM 185 N ARG A 13 -1.036 15.762 -6.156 1.00 0.00 N ATOM 186 CA ARG A 13 -0.576 17.046 -5.640 1.00 0.00 C ATOM 187 C ARG A 13 -0.139 17.968 -6.772 1.00 0.00 C ATOM 188 O ARG A 13 -0.394 19.172 -6.737 1.00 0.00 O ATOM 189 CB ARG A 13 0.583 16.850 -4.674 1.00 0.00 C ATOM 190 CG ARG A 13 1.070 18.120 -3.994 1.00 0.00 C ATOM 191 CD ARG A 13 2.181 17.845 -3.047 1.00 0.00 C ATOM 192 NE ARG A 13 3.398 17.450 -3.739 1.00 0.00 N ATOM 193 CZ ARG A 13 4.433 16.811 -3.161 1.00 0.00 C ATOM 194 NH1 ARG A 13 4.385 16.502 -1.884 1.00 0.00 N ATOM 195 NH2 ARG A 13 5.498 16.494 -3.878 1.00 0.00 N ATOM 196 H ARG A 13 -0.536 14.921 -5.902 1.00 0.00 H ATOM 197 HA ARG A 13 -1.397 17.518 -5.102 1.00 0.00 H ATOM 198 1HB ARG A 13 0.291 16.150 -3.893 1.00 0.00 H ATOM 199 2HB ARG A 13 1.430 16.414 -5.204 1.00 0.00 H ATOM 200 1HG ARG A 13 1.427 18.822 -4.747 1.00 0.00 H ATOM 201 2HG ARG A 13 0.249 18.572 -3.436 1.00 0.00 H ATOM 202 1HD ARG A 13 2.395 18.742 -2.467 1.00 0.00 H ATOM 203 2HD ARG A 13 1.894 17.037 -2.375 1.00 0.00 H ATOM 204 HE ARG A 13 3.472 17.671 -4.723 1.00 0.00 H ATOM 205 1HH1 ARG A 13 3.571 16.743 -1.336 1.00 0.00 H ATOM 206 2HH1 ARG A 13 5.161 16.022 -1.451 1.00 0.00 H ATOM 207 1HH2 ARG A 13 5.535 16.732 -4.860 1.00 0.00 H ATOM 208 2HH2 ARG A 13 6.273 16.016 -3.445 1.00 0.00 H ATOM 209 N HIS A 14 0.520 17.397 -7.774 1.00 0.00 N ATOM 210 CA HIS A 14 1.078 18.180 -8.870 1.00 0.00 C ATOM 211 C HIS A 14 0.158 18.162 -10.084 1.00 0.00 C ATOM 212 O HIS A 14 0.537 18.604 -11.169 1.00 0.00 O ATOM 213 CB HIS A 14 2.462 17.654 -9.263 1.00 0.00 C ATOM 214 CG HIS A 14 3.500 17.840 -8.201 1.00 0.00 C ATOM 215 ND1 HIS A 14 4.026 19.074 -7.883 1.00 0.00 N ATOM 216 CD2 HIS A 14 4.111 16.949 -7.385 1.00 0.00 C ATOM 217 CE1 HIS A 14 4.915 18.934 -6.915 1.00 0.00 C ATOM 218 NE2 HIS A 14 4.985 17.655 -6.596 1.00 0.00 N ATOM 219 H HIS A 14 0.638 16.394 -7.777 1.00 0.00 H ATOM 220 HA HIS A 14 1.193 19.211 -8.535 1.00 0.00 H ATOM 221 1HB HIS A 14 2.395 16.589 -9.492 1.00 0.00 H ATOM 222 2HB HIS A 14 2.802 18.162 -10.165 1.00 0.00 H ATOM 223 HD1 HIS A 14 3.732 19.955 -8.253 1.00 0.00 H ATOM 224 HD2 HIS A 14 4.023 15.868 -7.271 1.00 0.00 H ATOM 225 HE1 HIS A 14 5.446 19.800 -6.519 1.00 0.00 H ATOM 226 N ASN A 15 -1.052 17.646 -9.895 1.00 0.00 N ATOM 227 CA ASN A 15 -2.043 17.607 -10.964 1.00 0.00 C ATOM 228 C ASN A 15 -1.464 16.990 -12.230 1.00 0.00 C ATOM 229 O ASN A 15 -1.603 17.542 -13.322 1.00 0.00 O ATOM 230 CB ASN A 15 -2.579 18.999 -11.246 1.00 0.00 C ATOM 231 CG ASN A 15 -3.378 19.554 -10.100 1.00 0.00 C ATOM 232 OD1 ASN A 15 -4.186 18.844 -9.489 1.00 0.00 O ATOM 233 ND2 ASN A 15 -3.169 20.809 -9.796 1.00 0.00 N ATOM 234 H ASN A 15 -1.292 17.272 -8.988 1.00 0.00 H ATOM 235 HA ASN A 15 -2.885 16.997 -10.635 1.00 0.00 H ATOM 236 1HB ASN A 15 -1.748 19.674 -11.455 1.00 0.00 H ATOM 237 2HB ASN A 15 -3.211 18.973 -12.135 1.00 0.00 H ATOM 238 1HD2 ASN A 15 -3.673 21.232 -9.042 1.00 0.00 H ATOM 239 2HD2 ASN A 15 -2.506 21.346 -10.317 1.00 0.00 H ATOM 240 N LYS A 16 -0.813 15.841 -12.078 1.00 0.00 N ATOM 241 CA LYS A 16 -0.239 15.129 -13.214 1.00 0.00 C ATOM 242 C LYS A 16 -0.657 13.664 -13.213 1.00 0.00 C ATOM 243 O LYS A 16 -0.869 13.070 -12.157 1.00 0.00 O ATOM 244 CB LYS A 16 1.286 15.242 -13.200 1.00 0.00 C ATOM 245 CG LYS A 16 1.955 14.587 -11.999 1.00 0.00 C ATOM 246 CD LYS A 16 3.458 14.819 -12.008 1.00 0.00 C ATOM 247 CE LYS A 16 4.137 14.101 -10.851 1.00 0.00 C ATOM 248 NZ LYS A 16 5.607 14.335 -10.837 1.00 0.00 N ATOM 249 H LYS A 16 -0.713 15.452 -11.151 1.00 0.00 H ATOM 250 HA LYS A 16 -0.599 15.595 -14.132 1.00 0.00 H ATOM 251 1HB LYS A 16 1.693 14.782 -14.101 1.00 0.00 H ATOM 252 2HB LYS A 16 1.574 16.293 -13.211 1.00 0.00 H ATOM 253 1HG LYS A 16 1.538 15.001 -11.080 1.00 0.00 H ATOM 254 2HG LYS A 16 1.761 13.515 -12.014 1.00 0.00 H ATOM 255 1HD LYS A 16 3.877 14.454 -12.947 1.00 0.00 H ATOM 256 2HD LYS A 16 3.662 15.887 -11.931 1.00 0.00 H ATOM 257 1HE LYS A 16 3.717 14.452 -9.909 1.00 0.00 H ATOM 258 2HE LYS A 16 3.954 13.030 -10.929 1.00 0.00 H ATOM 259 1HZ LYS A 16 6.019 13.843 -10.057 1.00 0.00 H ATOM 260 2HZ LYS A 16 6.011 13.996 -11.699 1.00 0.00 H ATOM 261 3HZ LYS A 16 5.790 15.324 -10.745 1.00 0.00 H ATOM 262 N ASP A 17 -0.773 13.087 -14.405 1.00 0.00 N ATOM 263 CA ASP A 17 -1.035 11.659 -14.542 1.00 0.00 C ATOM 264 C ASP A 17 0.189 10.836 -14.161 1.00 0.00 C ATOM 265 O ASP A 17 1.318 11.192 -14.497 1.00 0.00 O ATOM 266 CB ASP A 17 -1.456 11.325 -15.975 1.00 0.00 C ATOM 267 CG ASP A 17 -2.830 11.876 -16.332 1.00 0.00 C ATOM 268 OD1 ASP A 17 -3.383 12.600 -15.539 1.00 0.00 O ATOM 269 OD2 ASP A 17 -3.312 11.568 -17.396 1.00 0.00 O ATOM 270 H ASP A 17 -0.676 13.652 -15.237 1.00 0.00 H ATOM 271 HA ASP A 17 -1.857 11.393 -13.876 1.00 0.00 H ATOM 272 1HB ASP A 17 -0.724 11.732 -16.673 1.00 0.00 H ATOM 273 2HB ASP A 17 -1.468 10.243 -16.108 1.00 0.00 H ATOM 274 N LEU A 18 -0.042 9.732 -13.458 1.00 0.00 N ATOM 275 CA LEU A 18 1.029 8.804 -13.114 1.00 0.00 C ATOM 276 C LEU A 18 0.561 7.359 -13.221 1.00 0.00 C ATOM 277 O LEU A 18 -0.527 7.013 -12.761 1.00 0.00 O ATOM 278 CB LEU A 18 1.534 9.080 -11.692 1.00 0.00 C ATOM 279 CG LEU A 18 2.690 8.194 -11.213 1.00 0.00 C ATOM 280 CD1 LEU A 18 3.670 9.031 -10.401 1.00 0.00 C ATOM 281 CD2 LEU A 18 2.139 7.043 -10.385 1.00 0.00 C ATOM 282 H LEU A 18 -0.984 9.531 -13.153 1.00 0.00 H ATOM 283 HA LEU A 18 1.856 8.958 -13.809 1.00 0.00 H ATOM 284 1HB LEU A 18 1.865 10.116 -11.636 1.00 0.00 H ATOM 285 2HB LEU A 18 0.704 8.948 -10.997 1.00 0.00 H ATOM 286 HG LEU A 18 3.226 7.797 -12.075 1.00 0.00 H ATOM 287 1HD1 LEU A 18 4.492 8.402 -10.061 1.00 0.00 H ATOM 288 2HD1 LEU A 18 4.063 9.835 -11.023 1.00 0.00 H ATOM 289 3HD1 LEU A 18 3.157 9.456 -9.539 1.00 0.00 H ATOM 290 1HD2 LEU A 18 2.961 6.412 -10.045 1.00 0.00 H ATOM 291 2HD2 LEU A 18 1.604 7.439 -9.521 1.00 0.00 H ATOM 292 3HD2 LEU A 18 1.456 6.451 -10.994 1.00 0.00 H ATOM 293 N ILE A 19 1.389 6.518 -13.832 1.00 0.00 N ATOM 294 CA ILE A 19 1.123 5.086 -13.889 1.00 0.00 C ATOM 295 C ILE A 19 2.214 4.295 -13.179 1.00 0.00 C ATOM 296 O ILE A 19 3.393 4.407 -13.515 1.00 0.00 O ATOM 297 CB ILE A 19 1.007 4.606 -15.347 1.00 0.00 C ATOM 298 CG1 ILE A 19 -0.136 5.335 -16.060 1.00 0.00 C ATOM 299 CG2 ILE A 19 0.795 3.101 -15.397 1.00 0.00 C ATOM 300 CD1 ILE A 19 -0.135 5.152 -17.560 1.00 0.00 C ATOM 301 H ILE A 19 2.224 6.882 -14.269 1.00 0.00 H ATOM 302 HA ILE A 19 0.171 4.892 -13.393 1.00 0.00 H ATOM 303 HB ILE A 19 1.922 4.853 -15.885 1.00 0.00 H ATOM 304 1HG1 ILE A 19 -1.090 4.981 -15.673 1.00 0.00 H ATOM 305 2HG1 ILE A 19 -0.074 6.403 -15.848 1.00 0.00 H ATOM 306 1HG2 ILE A 19 0.714 2.779 -16.435 1.00 0.00 H ATOM 307 2HG2 ILE A 19 1.639 2.600 -14.926 1.00 0.00 H ATOM 308 3HG2 ILE A 19 -0.122 2.845 -14.866 1.00 0.00 H ATOM 309 1HD1 ILE A 19 -0.973 5.698 -17.994 1.00 0.00 H ATOM 310 2HD1 ILE A 19 0.799 5.533 -17.974 1.00 0.00 H ATOM 311 3HD1 ILE A 19 -0.232 4.093 -17.797 1.00 0.00 H ATOM 312 N ALA A 20 1.814 3.495 -12.196 1.00 0.00 N ATOM 313 CA ALA A 20 2.751 2.647 -11.470 1.00 0.00 C ATOM 314 C ALA A 20 2.033 1.485 -10.796 1.00 0.00 C ATOM 315 O ALA A 20 0.888 1.616 -10.365 1.00 0.00 O ATOM 316 CB ALA A 20 3.517 3.464 -10.440 1.00 0.00 C ATOM 317 H ALA A 20 0.835 3.474 -11.946 1.00 0.00 H ATOM 318 HA ALA A 20 3.477 2.246 -12.179 1.00 0.00 H ATOM 319 1HB ALA A 20 4.213 2.816 -9.906 1.00 0.00 H ATOM 320 2HB ALA A 20 4.072 4.256 -10.944 1.00 0.00 H ATOM 321 3HB ALA A 20 2.817 3.906 -9.733 1.00 0.00 H ATOM 322 N HIS A 21 2.713 0.346 -10.709 1.00 0.00 N ATOM 323 CA HIS A 21 2.180 -0.812 -10.002 1.00 0.00 C ATOM 324 C HIS A 21 0.839 -1.243 -10.583 1.00 0.00 C ATOM 325 O HIS A 21 -0.049 -1.688 -9.856 1.00 0.00 O ATOM 326 CB HIS A 21 2.023 -0.509 -8.508 1.00 0.00 C ATOM 327 CG HIS A 21 3.292 -0.070 -7.847 1.00 0.00 C ATOM 328 ND1 HIS A 21 4.309 -0.946 -7.532 1.00 0.00 N ATOM 329 CD2 HIS A 21 3.708 1.152 -7.440 1.00 0.00 C ATOM 330 CE1 HIS A 21 5.298 -0.281 -6.960 1.00 0.00 C ATOM 331 NE2 HIS A 21 4.958 0.993 -6.892 1.00 0.00 N ATOM 332 H HIS A 21 3.623 0.282 -11.143 1.00 0.00 H ATOM 333 HA HIS A 21 2.883 -1.637 -10.112 1.00 0.00 H ATOM 334 1HB HIS A 21 1.277 0.275 -8.372 1.00 0.00 H ATOM 335 2HB HIS A 21 1.660 -1.398 -7.993 1.00 0.00 H ATOM 336 HD1 HIS A 21 4.347 -1.918 -7.769 1.00 0.00 H ATOM 337 HD2 HIS A 21 3.250 2.141 -7.476 1.00 0.00 H ATOM 338 HE1 HIS A 21 6.200 -0.798 -6.636 1.00 0.00 H ATOM 339 N LEU A 22 0.699 -1.107 -11.898 1.00 0.00 N ATOM 340 CA LEU A 22 -0.515 -1.533 -12.586 1.00 0.00 C ATOM 341 C LEU A 22 -1.707 -0.673 -12.184 1.00 0.00 C ATOM 342 O LEU A 22 -2.853 -1.011 -12.475 1.00 0.00 O ATOM 343 CB LEU A 22 -0.811 -3.005 -12.275 1.00 0.00 C ATOM 344 CG LEU A 22 0.352 -3.980 -12.500 1.00 0.00 C ATOM 345 CD1 LEU A 22 -0.068 -5.379 -12.071 1.00 0.00 C ATOM 346 CD2 LEU A 22 0.758 -3.956 -13.966 1.00 0.00 C ATOM 347 H LEU A 22 1.451 -0.699 -12.433 1.00 0.00 H ATOM 348 HA LEU A 22 -0.360 -1.425 -13.658 1.00 0.00 H ATOM 349 1HB LEU A 22 -1.114 -3.086 -11.232 1.00 0.00 H ATOM 350 2HB LEU A 22 -1.643 -3.332 -12.900 1.00 0.00 H ATOM 351 HG LEU A 22 1.200 -3.682 -11.884 1.00 0.00 H ATOM 352 1HD1 LEU A 22 0.759 -6.072 -12.231 1.00 0.00 H ATOM 353 2HD1 LEU A 22 -0.334 -5.371 -11.014 1.00 0.00 H ATOM 354 3HD1 LEU A 22 -0.927 -5.698 -12.660 1.00 0.00 H ATOM 355 1HD2 LEU A 22 1.585 -4.649 -14.126 1.00 0.00 H ATOM 356 2HD2 LEU A 22 -0.090 -4.255 -14.583 1.00 0.00 H ATOM 357 3HD2 LEU A 22 1.069 -2.949 -14.241 1.00 0.00 H ATOM 358 N LEU A 23 -1.428 0.441 -11.515 1.00 0.00 N ATOM 359 CA LEU A 23 -2.460 1.415 -11.185 1.00 0.00 C ATOM 360 C LEU A 23 -2.197 2.750 -11.870 1.00 0.00 C ATOM 361 O LEU A 23 -1.047 3.146 -12.058 1.00 0.00 O ATOM 362 CB LEU A 23 -2.531 1.618 -9.666 1.00 0.00 C ATOM 363 CG LEU A 23 -2.796 0.355 -8.838 1.00 0.00 C ATOM 364 CD1 LEU A 23 -2.660 0.680 -7.357 1.00 0.00 C ATOM 365 CD2 LEU A 23 -4.186 -0.178 -9.155 1.00 0.00 C ATOM 366 H LEU A 23 -0.475 0.616 -11.227 1.00 0.00 H ATOM 367 HA LEU A 23 -3.421 1.030 -11.528 1.00 0.00 H ATOM 368 1HB LEU A 23 -1.588 2.044 -9.328 1.00 0.00 H ATOM 369 2HB LEU A 23 -3.326 2.331 -9.447 1.00 0.00 H ATOM 370 HG LEU A 23 -2.052 -0.404 -9.082 1.00 0.00 H ATOM 371 1HD1 LEU A 23 -2.848 -0.218 -6.768 1.00 0.00 H ATOM 372 2HD1 LEU A 23 -1.651 1.040 -7.155 1.00 0.00 H ATOM 373 3HD1 LEU A 23 -3.382 1.449 -7.085 1.00 0.00 H ATOM 374 1HD2 LEU A 23 -4.374 -1.077 -8.566 1.00 0.00 H ATOM 375 2HD2 LEU A 23 -4.931 0.579 -8.909 1.00 0.00 H ATOM 376 3HD2 LEU A 23 -4.250 -0.419 -10.216 1.00 0.00 H ATOM 377 N ARG A 24 -3.269 3.440 -12.242 1.00 0.00 N ATOM 378 CA ARG A 24 -3.161 4.787 -12.789 1.00 0.00 C ATOM 379 C ARG A 24 -3.894 5.797 -11.914 1.00 0.00 C ATOM 380 O ARG A 24 -5.032 5.568 -11.504 1.00 0.00 O ATOM 381 CB ARG A 24 -3.727 4.839 -14.200 1.00 0.00 C ATOM 382 CG ARG A 24 -3.640 6.199 -14.875 1.00 0.00 C ATOM 383 CD ARG A 24 -3.939 6.111 -16.327 1.00 0.00 C ATOM 384 NE ARG A 24 -3.784 7.396 -16.991 1.00 0.00 N ATOM 385 CZ ARG A 24 -3.858 7.582 -18.324 1.00 0.00 C ATOM 386 NH1 ARG A 24 -4.084 6.560 -19.119 1.00 0.00 N ATOM 387 NH2 ARG A 24 -3.702 8.792 -18.831 1.00 0.00 N ATOM 388 H ARG A 24 -4.183 3.021 -12.143 1.00 0.00 H ATOM 389 HA ARG A 24 -2.106 5.062 -12.830 1.00 0.00 H ATOM 390 1HB ARG A 24 -3.200 4.124 -14.830 1.00 0.00 H ATOM 391 2HB ARG A 24 -4.778 4.547 -14.182 1.00 0.00 H ATOM 392 1HG ARG A 24 -4.359 6.879 -14.417 1.00 0.00 H ATOM 393 2HG ARG A 24 -2.633 6.600 -14.756 1.00 0.00 H ATOM 394 1HD ARG A 24 -3.259 5.401 -16.796 1.00 0.00 H ATOM 395 2HD ARG A 24 -4.966 5.777 -16.468 1.00 0.00 H ATOM 396 HE ARG A 24 -3.608 8.206 -16.412 1.00 0.00 H ATOM 397 1HH1 ARG A 24 -4.203 5.635 -18.731 1.00 0.00 H ATOM 398 2HH1 ARG A 24 -4.139 6.699 -20.117 1.00 0.00 H ATOM 399 1HH2 ARG A 24 -3.528 9.578 -18.220 1.00 0.00 H ATOM 400 2HH2 ARG A 24 -3.758 8.932 -19.829 1.00 0.00 H ATOM 401 N PHE A 25 -3.233 6.914 -11.629 1.00 0.00 N ATOM 402 CA PHE A 25 -3.840 7.986 -10.849 1.00 0.00 C ATOM 403 C PHE A 25 -3.842 9.298 -11.622 1.00 0.00 C ATOM 404 O PHE A 25 -2.918 9.581 -12.386 1.00 0.00 O ATOM 405 CB PHE A 25 -3.097 8.169 -9.524 1.00 0.00 C ATOM 406 CG PHE A 25 -3.206 6.990 -8.600 1.00 0.00 C ATOM 407 CD1 PHE A 25 -2.325 5.924 -8.707 1.00 0.00 C ATOM 408 CD2 PHE A 25 -4.189 6.944 -7.623 1.00 0.00 C ATOM 409 CE1 PHE A 25 -2.424 4.838 -7.857 1.00 0.00 C ATOM 410 CE2 PHE A 25 -4.290 5.861 -6.772 1.00 0.00 C ATOM 411 CZ PHE A 25 -3.406 4.807 -6.890 1.00 0.00 C ATOM 412 H PHE A 25 -2.287 7.025 -11.962 1.00 0.00 H ATOM 413 HA PHE A 25 -4.873 7.711 -10.627 1.00 0.00 H ATOM 414 1HB PHE A 25 -2.042 8.351 -9.722 1.00 0.00 H ATOM 415 2HB PHE A 25 -3.488 9.044 -9.007 1.00 0.00 H ATOM 416 HD1 PHE A 25 -1.548 5.949 -9.471 1.00 0.00 H ATOM 417 HD2 PHE A 25 -4.887 7.777 -7.531 1.00 0.00 H ATOM 418 HE1 PHE A 25 -1.726 4.007 -7.952 1.00 0.00 H ATOM 419 HE2 PHE A 25 -5.066 5.837 -6.008 1.00 0.00 H ATOM 420 HZ PHE A 25 -3.486 3.951 -6.220 1.00 0.00 H ATOM 421 N THR A 26 -4.883 10.098 -11.419 1.00 0.00 N ATOM 422 CA THR A 26 -4.979 11.408 -12.053 1.00 0.00 C ATOM 423 C THR A 26 -5.896 12.335 -11.268 1.00 0.00 C ATOM 424 O THR A 26 -6.827 11.883 -10.600 1.00 0.00 O ATOM 425 CB THR A 26 -5.484 11.286 -13.503 1.00 0.00 C ATOM 426 OG1 THR A 26 -5.603 12.592 -14.081 1.00 0.00 O ATOM 427 CG2 THR A 26 -6.839 10.595 -13.539 1.00 0.00 C ATOM 428 H THR A 26 -5.628 9.791 -10.810 1.00 0.00 H ATOM 429 HA THR A 26 -3.981 11.850 -12.087 1.00 0.00 H ATOM 430 HB THR A 26 -4.771 10.707 -14.089 1.00 0.00 H ATOM 431 HG1 THR A 26 -4.822 12.781 -14.606 1.00 0.00 H ATOM 432 1HG2 THR A 26 -7.180 10.517 -14.571 1.00 0.00 H ATOM 433 2HG2 THR A 26 -6.749 9.597 -13.110 1.00 0.00 H ATOM 434 3HG2 THR A 26 -7.558 11.174 -12.962 1.00 0.00 H ATOM 435 N TRP A 27 -5.630 13.634 -11.351 1.00 0.00 N ATOM 436 CA TRP A 27 -6.420 14.626 -10.631 1.00 0.00 C ATOM 437 C TRP A 27 -7.822 14.741 -11.213 1.00 0.00 C ATOM 438 O TRP A 27 -8.734 15.254 -10.564 1.00 0.00 O ATOM 439 CB TRP A 27 -5.732 15.992 -10.677 1.00 0.00 C ATOM 440 CG TRP A 27 -5.697 16.598 -12.047 1.00 0.00 C ATOM 441 CD1 TRP A 27 -4.710 16.456 -12.976 1.00 0.00 C ATOM 442 CD2 TRP A 27 -6.698 17.451 -12.652 1.00 0.00 C ATOM 443 NE1 TRP A 27 -5.026 17.159 -14.113 1.00 0.00 N ATOM 444 CE2 TRP A 27 -6.240 17.773 -13.933 1.00 0.00 C ATOM 445 CE3 TRP A 27 -7.929 17.959 -12.217 1.00 0.00 C ATOM 446 CZ2 TRP A 27 -6.967 18.584 -14.790 1.00 0.00 C ATOM 447 CZ3 TRP A 27 -8.658 18.771 -13.077 1.00 0.00 C ATOM 448 CH2 TRP A 27 -8.189 19.075 -14.330 1.00 0.00 C ATOM 449 H TRP A 27 -4.860 13.942 -11.928 1.00 0.00 H ATOM 450 HA TRP A 27 -6.498 14.316 -9.589 1.00 0.00 H ATOM 451 1HB TRP A 27 -6.248 16.682 -10.009 1.00 0.00 H ATOM 452 2HB TRP A 27 -4.707 15.895 -10.319 1.00 0.00 H ATOM 453 HD1 TRP A 27 -3.804 15.870 -12.838 1.00 0.00 H ATOM 454 HE1 TRP A 27 -4.459 17.216 -14.946 1.00 0.00 H ATOM 455 HE3 TRP A 27 -8.307 17.719 -11.224 1.00 0.00 H ATOM 456 HZ2 TRP A 27 -6.611 18.837 -15.789 1.00 0.00 H ATOM 457 HZ3 TRP A 27 -9.615 19.163 -12.730 1.00 0.00 H ATOM 458 HH2 TRP A 27 -8.787 19.715 -14.979 1.00 0.00 H ATOM 459 N ASN A 28 -7.989 14.262 -12.441 1.00 0.00 N ATOM 460 CA ASN A 28 -9.236 14.449 -13.173 1.00 0.00 C ATOM 461 C ASN A 28 -10.052 13.162 -13.209 1.00 0.00 C ATOM 462 O ASN A 28 -10.865 12.956 -14.111 1.00 0.00 O ATOM 463 CB ASN A 28 -8.961 14.946 -14.580 1.00 0.00 C ATOM 464 CG ASN A 28 -10.140 15.658 -15.183 1.00 0.00 C ATOM 465 OD1 ASN A 28 -10.935 16.281 -14.470 1.00 0.00 O ATOM 466 ND2 ASN A 28 -10.268 15.579 -16.483 1.00 0.00 N ATOM 467 H ASN A 28 -7.232 13.756 -12.879 1.00 0.00 H ATOM 468 HA ASN A 28 -9.821 15.220 -12.671 1.00 0.00 H ATOM 469 1HB ASN A 28 -8.108 15.626 -14.566 1.00 0.00 H ATOM 470 2HB ASN A 28 -8.696 14.103 -15.219 1.00 0.00 H ATOM 471 1HD2 ASN A 28 -11.034 16.034 -16.938 1.00 0.00 H ATOM 472 2HD2 ASN A 28 -9.601 15.065 -17.020 1.00 0.00 H ATOM 473 N ASP A 29 -9.829 12.299 -12.224 1.00 0.00 N ATOM 474 CA ASP A 29 -10.651 11.108 -12.050 1.00 0.00 C ATOM 475 C ASP A 29 -10.990 10.882 -10.582 1.00 0.00 C ATOM 476 O ASP A 29 -10.120 10.549 -9.778 1.00 0.00 O ATOM 477 CB ASP A 29 -9.934 9.876 -12.609 1.00 0.00 C ATOM 478 CG ASP A 29 -10.792 8.619 -12.561 1.00 0.00 C ATOM 479 OD1 ASP A 29 -11.908 8.702 -12.105 1.00 0.00 O ATOM 480 OD2 ASP A 29 -10.324 7.588 -12.981 1.00 0.00 O ATOM 481 H ASP A 29 -9.071 12.472 -11.580 1.00 0.00 H ATOM 482 HA ASP A 29 -11.579 11.242 -12.606 1.00 0.00 H ATOM 483 1HB ASP A 29 -9.645 10.062 -13.644 1.00 0.00 H ATOM 484 2HB ASP A 29 -9.021 9.697 -12.041 1.00 0.00 H ATOM 485 N GLU A 30 -12.261 11.066 -10.239 1.00 0.00 N ATOM 486 CA GLU A 30 -12.710 10.922 -8.860 1.00 0.00 C ATOM 487 C GLU A 30 -12.435 9.519 -8.334 1.00 0.00 C ATOM 488 O GLU A 30 -12.192 9.328 -7.142 1.00 0.00 O ATOM 489 CB GLU A 30 -14.204 11.235 -8.750 1.00 0.00 C ATOM 490 CG GLU A 30 -14.561 12.692 -9.005 1.00 0.00 C ATOM 491 CD GLU A 30 -14.696 13.014 -10.468 1.00 0.00 C ATOM 492 OE1 GLU A 30 -14.408 12.161 -11.273 1.00 0.00 O ATOM 493 OE2 GLU A 30 -15.088 14.114 -10.780 1.00 0.00 O ATOM 494 H GLU A 30 -12.933 11.311 -10.953 1.00 0.00 H ATOM 495 HA GLU A 30 -12.167 11.639 -8.242 1.00 0.00 H ATOM 496 1HB GLU A 30 -14.757 10.625 -9.464 1.00 0.00 H ATOM 497 2HB GLU A 30 -14.558 10.974 -7.753 1.00 0.00 H ATOM 498 1HG GLU A 30 -15.504 12.917 -8.508 1.00 0.00 H ATOM 499 2HG GLU A 30 -13.791 13.326 -8.568 1.00 0.00 H ATOM 500 N GLU A 31 -12.474 8.539 -9.230 1.00 0.00 N ATOM 501 CA GLU A 31 -12.284 7.144 -8.849 1.00 0.00 C ATOM 502 C GLU A 31 -10.841 6.878 -8.437 1.00 0.00 C ATOM 503 O GLU A 31 -10.578 6.051 -7.564 1.00 0.00 O ATOM 504 CB GLU A 31 -12.674 6.218 -10.003 1.00 0.00 C ATOM 505 CG GLU A 31 -14.150 6.259 -10.372 1.00 0.00 C ATOM 506 CD GLU A 31 -15.052 5.950 -9.209 1.00 0.00 C ATOM 507 OE1 GLU A 31 -14.845 4.944 -8.573 1.00 0.00 O ATOM 508 OE2 GLU A 31 -15.949 6.719 -8.958 1.00 0.00 O ATOM 509 H GLU A 31 -12.641 8.765 -10.200 1.00 0.00 H ATOM 510 HA GLU A 31 -12.935 6.924 -8.003 1.00 0.00 H ATOM 511 1HB GLU A 31 -12.100 6.481 -10.892 1.00 0.00 H ATOM 512 2HB GLU A 31 -12.422 5.189 -9.745 1.00 0.00 H ATOM 513 1HG GLU A 31 -14.392 7.252 -10.749 1.00 0.00 H ATOM 514 2HG GLU A 31 -14.335 5.542 -11.170 1.00 0.00 H ATOM 515 N ALA A 32 -9.910 7.583 -9.071 1.00 0.00 N ATOM 516 CA ALA A 32 -8.504 7.507 -8.696 1.00 0.00 C ATOM 517 C ALA A 32 -8.275 8.070 -7.299 1.00 0.00 C ATOM 518 O ALA A 32 -7.449 7.560 -6.541 1.00 0.00 O ATOM 519 CB ALA A 32 -7.644 8.245 -9.711 1.00 0.00 C ATOM 520 H ALA A 32 -10.184 8.188 -9.831 1.00 0.00 H ATOM 521 HA ALA A 32 -8.199 6.459 -8.705 1.00 0.00 H ATOM 522 1HB ALA A 32 -6.596 8.179 -9.418 1.00 0.00 H ATOM 523 2HB ALA A 32 -7.775 7.794 -10.695 1.00 0.00 H ATOM 524 3HB ALA A 32 -7.944 9.291 -9.749 1.00 0.00 H ATOM 525 N ARG A 33 -9.009 9.124 -6.963 1.00 0.00 N ATOM 526 CA ARG A 33 -8.942 9.713 -5.631 1.00 0.00 C ATOM 527 C ARG A 33 -9.523 8.772 -4.583 1.00 0.00 C ATOM 528 O ARG A 33 -8.993 8.655 -3.479 1.00 0.00 O ATOM 529 CB ARG A 33 -9.693 11.036 -5.592 1.00 0.00 C ATOM 530 CG ARG A 33 -9.052 12.159 -6.394 1.00 0.00 C ATOM 531 CD ARG A 33 -9.872 13.397 -6.356 1.00 0.00 C ATOM 532 NE ARG A 33 -9.352 14.419 -7.250 1.00 0.00 N ATOM 533 CZ ARG A 33 -8.397 15.311 -6.920 1.00 0.00 C ATOM 534 NH1 ARG A 33 -7.870 15.294 -5.716 1.00 0.00 N ATOM 535 NH2 ARG A 33 -7.991 16.203 -7.807 1.00 0.00 N ATOM 536 H ARG A 33 -9.631 9.529 -7.649 1.00 0.00 H ATOM 537 HA ARG A 33 -7.896 9.903 -5.389 1.00 0.00 H ATOM 538 1HB ARG A 33 -10.702 10.893 -5.974 1.00 0.00 H ATOM 539 2HB ARG A 33 -9.778 11.376 -4.560 1.00 0.00 H ATOM 540 1HG ARG A 33 -8.069 12.385 -5.981 1.00 0.00 H ATOM 541 2HG ARG A 33 -8.947 11.849 -7.434 1.00 0.00 H ATOM 542 1HD ARG A 33 -10.893 13.167 -6.658 1.00 0.00 H ATOM 543 2HD ARG A 33 -9.875 13.800 -5.343 1.00 0.00 H ATOM 544 HE ARG A 33 -9.733 14.463 -8.186 1.00 0.00 H ATOM 545 1HH1 ARG A 33 -8.180 14.612 -5.038 1.00 0.00 H ATOM 546 2HH1 ARG A 33 -7.155 15.962 -5.469 1.00 0.00 H ATOM 547 1HH2 ARG A 33 -8.397 16.216 -8.733 1.00 0.00 H ATOM 548 2HH2 ARG A 33 -7.276 16.871 -7.560 1.00 0.00 H ATOM 549 N LYS A 34 -10.616 8.104 -4.937 1.00 0.00 N ATOM 550 CA LYS A 34 -11.221 7.107 -4.061 1.00 0.00 C ATOM 551 C LYS A 34 -10.254 5.965 -3.775 1.00 0.00 C ATOM 552 O LYS A 34 -10.144 5.501 -2.641 1.00 0.00 O ATOM 553 CB LYS A 34 -12.510 6.563 -4.679 1.00 0.00 C ATOM 554 CG LYS A 34 -13.665 7.555 -4.701 1.00 0.00 C ATOM 555 CD LYS A 34 -14.886 6.967 -5.392 1.00 0.00 C ATOM 556 CE LYS A 34 -15.965 8.020 -5.602 1.00 0.00 C ATOM 557 NZ LYS A 34 -17.107 7.494 -6.398 1.00 0.00 N ATOM 558 H LYS A 34 -11.038 8.290 -5.835 1.00 0.00 H ATOM 559 HA LYS A 34 -11.481 7.588 -3.117 1.00 0.00 H ATOM 560 1HB LYS A 34 -12.318 6.251 -5.706 1.00 0.00 H ATOM 561 2HB LYS A 34 -12.836 5.683 -4.125 1.00 0.00 H ATOM 562 1HG LYS A 34 -13.931 7.826 -3.678 1.00 0.00 H ATOM 563 2HG LYS A 34 -13.359 8.458 -5.229 1.00 0.00 H ATOM 564 1HD LYS A 34 -14.595 6.559 -6.360 1.00 0.00 H ATOM 565 2HD LYS A 34 -15.294 6.159 -4.784 1.00 0.00 H ATOM 566 1HE LYS A 34 -16.336 8.358 -4.636 1.00 0.00 H ATOM 567 2HE LYS A 34 -15.540 8.877 -6.123 1.00 0.00 H ATOM 568 1HZ LYS A 34 -17.799 8.221 -6.515 1.00 0.00 H ATOM 569 2HZ LYS A 34 -16.777 7.195 -7.304 1.00 0.00 H ATOM 570 3HZ LYS A 34 -17.522 6.710 -5.915 1.00 0.00 H ATOM 571 N LEU A 35 -9.554 5.515 -4.811 1.00 0.00 N ATOM 572 CA LEU A 35 -8.554 4.465 -4.662 1.00 0.00 C ATOM 573 C LEU A 35 -7.430 4.901 -3.732 1.00 0.00 C ATOM 574 O LEU A 35 -7.001 4.143 -2.863 1.00 0.00 O ATOM 575 CB LEU A 35 -7.974 4.087 -6.031 1.00 0.00 C ATOM 576 CG LEU A 35 -6.826 3.070 -6.010 1.00 0.00 C ATOM 577 CD1 LEU A 35 -7.313 1.767 -5.389 1.00 0.00 C ATOM 578 CD2 LEU A 35 -6.321 2.845 -7.427 1.00 0.00 C ATOM 579 H LEU A 35 -9.718 5.913 -5.725 1.00 0.00 H ATOM 580 HA LEU A 35 -9.038 3.585 -4.237 1.00 0.00 H ATOM 581 1HB LEU A 35 -8.773 3.672 -6.644 1.00 0.00 H ATOM 582 2HB LEU A 35 -7.606 4.992 -6.515 1.00 0.00 H ATOM 583 HG LEU A 35 -6.014 3.451 -5.391 1.00 0.00 H ATOM 584 1HD1 LEU A 35 -6.497 1.044 -5.374 1.00 0.00 H ATOM 585 2HD1 LEU A 35 -7.651 1.953 -4.370 1.00 0.00 H ATOM 586 3HD1 LEU A 35 -8.138 1.369 -5.979 1.00 0.00 H ATOM 587 1HD2 LEU A 35 -5.504 2.122 -7.412 1.00 0.00 H ATOM 588 2HD2 LEU A 35 -7.132 2.462 -8.047 1.00 0.00 H ATOM 589 3HD2 LEU A 35 -5.963 3.788 -7.840 1.00 0.00 H ATOM 590 N PHE A 36 -6.957 6.129 -3.920 1.00 0.00 N ATOM 591 CA PHE A 36 -5.911 6.684 -3.070 1.00 0.00 C ATOM 592 C PHE A 36 -6.327 6.671 -1.604 1.00 0.00 C ATOM 593 O PHE A 36 -5.575 6.220 -0.740 1.00 0.00 O ATOM 594 CB PHE A 36 -5.579 8.115 -3.498 1.00 0.00 C ATOM 595 CG PHE A 36 -4.552 8.785 -2.630 1.00 0.00 C ATOM 596 CD1 PHE A 36 -3.207 8.467 -2.751 1.00 0.00 C ATOM 597 CD2 PHE A 36 -4.927 9.733 -1.691 1.00 0.00 C ATOM 598 CE1 PHE A 36 -2.261 9.082 -1.953 1.00 0.00 C ATOM 599 CE2 PHE A 36 -3.984 10.350 -0.892 1.00 0.00 C ATOM 600 CZ PHE A 36 -2.649 10.023 -1.024 1.00 0.00 C ATOM 601 H PHE A 36 -7.331 6.691 -4.671 1.00 0.00 H ATOM 602 HA PHE A 36 -5.012 6.077 -3.184 1.00 0.00 H ATOM 603 1HB PHE A 36 -5.208 8.111 -4.522 1.00 0.00 H ATOM 604 2HB PHE A 36 -6.485 8.719 -3.480 1.00 0.00 H ATOM 605 HD1 PHE A 36 -2.900 7.723 -3.487 1.00 0.00 H ATOM 606 HD2 PHE A 36 -5.982 9.990 -1.587 1.00 0.00 H ATOM 607 HE1 PHE A 36 -1.208 8.822 -2.058 1.00 0.00 H ATOM 608 HE2 PHE A 36 -4.293 11.094 -0.158 1.00 0.00 H ATOM 609 HZ PHE A 36 -1.905 10.508 -0.394 1.00 0.00 H ATOM 610 N GLU A 37 -7.529 7.166 -1.331 1.00 0.00 N ATOM 611 CA GLU A 37 -8.033 7.245 0.035 1.00 0.00 C ATOM 612 C GLU A 37 -8.184 5.858 0.648 1.00 0.00 C ATOM 613 O GLU A 37 -7.870 5.650 1.819 1.00 0.00 O ATOM 614 CB GLU A 37 -9.376 7.976 0.066 1.00 0.00 C ATOM 615 CG GLU A 37 -9.285 9.471 -0.209 1.00 0.00 C ATOM 616 CD GLU A 37 -10.630 10.142 -0.246 1.00 0.00 C ATOM 617 OE1 GLU A 37 -11.619 9.449 -0.235 1.00 0.00 O ATOM 618 OE2 GLU A 37 -10.668 11.349 -0.286 1.00 0.00 O ATOM 619 H GLU A 37 -8.109 7.495 -2.089 1.00 0.00 H ATOM 620 HA GLU A 37 -7.322 7.816 0.633 1.00 0.00 H ATOM 621 1HB GLU A 37 -10.046 7.540 -0.675 1.00 0.00 H ATOM 622 2HB GLU A 37 -9.840 7.844 1.044 1.00 0.00 H ATOM 623 1HG GLU A 37 -8.681 9.937 0.568 1.00 0.00 H ATOM 624 2HG GLU A 37 -8.782 9.623 -1.163 1.00 0.00 H ATOM 625 N GLU A 38 -8.668 4.914 -0.152 1.00 0.00 N ATOM 626 CA GLU A 38 -8.861 3.545 0.310 1.00 0.00 C ATOM 627 C GLU A 38 -7.530 2.886 0.653 1.00 0.00 C ATOM 628 O GLU A 38 -7.410 2.201 1.669 1.00 0.00 O ATOM 629 CB GLU A 38 -9.589 2.721 -0.754 1.00 0.00 C ATOM 630 CG GLU A 38 -9.810 1.262 -0.378 1.00 0.00 C ATOM 631 CD GLU A 38 -10.751 1.094 0.783 1.00 0.00 C ATOM 632 OE1 GLU A 38 -11.596 1.937 0.965 1.00 0.00 O ATOM 633 OE2 GLU A 38 -10.625 0.120 1.487 1.00 0.00 O ATOM 634 H GLU A 38 -8.908 5.150 -1.104 1.00 0.00 H ATOM 635 HA GLU A 38 -9.482 3.565 1.207 1.00 0.00 H ATOM 636 1HB GLU A 38 -10.564 3.166 -0.955 1.00 0.00 H ATOM 637 2HB GLU A 38 -9.021 2.744 -1.684 1.00 0.00 H ATOM 638 1HG GLU A 38 -10.216 0.733 -1.239 1.00 0.00 H ATOM 639 2HG GLU A 38 -8.850 0.813 -0.129 1.00 0.00 H ATOM 640 N LEU A 39 -6.534 3.098 -0.200 1.00 0.00 N ATOM 641 CA LEU A 39 -5.200 2.557 0.030 1.00 0.00 C ATOM 642 C LEU A 39 -4.579 3.142 1.291 1.00 0.00 C ATOM 643 O LEU A 39 -3.888 2.446 2.036 1.00 0.00 O ATOM 644 CB LEU A 39 -4.296 2.846 -1.175 1.00 0.00 C ATOM 645 CG LEU A 39 -4.617 2.058 -2.452 1.00 0.00 C ATOM 646 CD1 LEU A 39 -3.869 2.670 -3.628 1.00 0.00 C ATOM 647 CD2 LEU A 39 -4.232 0.599 -2.258 1.00 0.00 C ATOM 648 H LEU A 39 -6.706 3.648 -1.030 1.00 0.00 H ATOM 649 HA LEU A 39 -5.281 1.476 0.150 1.00 0.00 H ATOM 650 1HB LEU A 39 -4.365 3.906 -1.415 1.00 0.00 H ATOM 651 2HB LEU A 39 -3.266 2.623 -0.898 1.00 0.00 H ATOM 652 HG LEU A 39 -5.684 2.126 -2.663 1.00 0.00 H ATOM 653 1HD1 LEU A 39 -4.097 2.110 -4.535 1.00 0.00 H ATOM 654 2HD1 LEU A 39 -4.178 3.707 -3.756 1.00 0.00 H ATOM 655 3HD1 LEU A 39 -2.797 2.630 -3.438 1.00 0.00 H ATOM 656 1HD2 LEU A 39 -4.460 0.038 -3.165 1.00 0.00 H ATOM 657 2HD2 LEU A 39 -3.164 0.529 -2.048 1.00 0.00 H ATOM 658 3HD2 LEU A 39 -4.794 0.182 -1.422 1.00 0.00 H ATOM 659 N ARG A 40 -4.827 4.427 1.525 1.00 0.00 N ATOM 660 CA ARG A 40 -4.314 5.103 2.712 1.00 0.00 C ATOM 661 C ARG A 40 -4.924 4.524 3.982 1.00 0.00 C ATOM 662 O ARG A 40 -4.242 4.367 4.994 1.00 0.00 O ATOM 663 CB ARG A 40 -4.606 6.594 2.647 1.00 0.00 C ATOM 664 CG ARG A 40 -4.165 7.386 3.868 1.00 0.00 C ATOM 665 CD ARG A 40 -2.686 7.418 3.997 1.00 0.00 C ATOM 666 NE ARG A 40 -2.062 8.145 2.904 1.00 0.00 N ATOM 667 CZ ARG A 40 -0.732 8.251 2.717 1.00 0.00 C ATOM 668 NH1 ARG A 40 0.099 7.674 3.557 1.00 0.00 N ATOM 669 NH2 ARG A 40 -0.262 8.936 1.689 1.00 0.00 N ATOM 670 H ARG A 40 -5.384 4.949 0.864 1.00 0.00 H ATOM 671 HA ARG A 40 -3.233 4.965 2.749 1.00 0.00 H ATOM 672 1HB ARG A 40 -4.109 7.025 1.779 1.00 0.00 H ATOM 673 2HB ARG A 40 -5.677 6.750 2.522 1.00 0.00 H ATOM 674 1HG ARG A 40 -4.525 8.412 3.786 1.00 0.00 H ATOM 675 2HG ARG A 40 -4.579 6.928 4.767 1.00 0.00 H ATOM 676 1HD ARG A 40 -2.413 7.908 4.932 1.00 0.00 H ATOM 677 2HD ARG A 40 -2.299 6.400 3.995 1.00 0.00 H ATOM 678 HE ARG A 40 -2.668 8.603 2.236 1.00 0.00 H ATOM 679 1HH1 ARG A 40 -0.261 7.151 4.343 1.00 0.00 H ATOM 680 2HH1 ARG A 40 1.095 7.754 3.417 1.00 0.00 H ATOM 681 1HH2 ARG A 40 -0.900 9.380 1.043 1.00 0.00 H ATOM 682 2HH2 ARG A 40 0.735 9.016 1.549 1.00 0.00 H ATOM 683 N ARG A 41 -6.214 4.207 3.922 1.00 0.00 N ATOM 684 CA ARG A 41 -6.908 3.606 5.054 1.00 0.00 C ATOM 685 C ARG A 41 -6.417 2.186 5.310 1.00 0.00 C ATOM 686 O ARG A 41 -6.321 1.750 6.457 1.00 0.00 O ATOM 687 CB ARG A 41 -8.410 3.584 4.811 1.00 0.00 C ATOM 688 CG ARG A 41 -9.101 4.931 4.958 1.00 0.00 C ATOM 689 CD ARG A 41 -10.579 4.788 4.994 1.00 0.00 C ATOM 690 NE ARG A 41 -11.117 4.388 3.703 1.00 0.00 N ATOM 691 CZ ARG A 41 -11.495 5.243 2.733 1.00 0.00 C ATOM 692 NH1 ARG A 41 -11.388 6.540 2.922 1.00 0.00 N ATOM 693 NH2 ARG A 41 -11.973 4.778 1.592 1.00 0.00 N ATOM 694 H ARG A 41 -6.725 4.388 3.071 1.00 0.00 H ATOM 695 HA ARG A 41 -6.711 4.208 5.941 1.00 0.00 H ATOM 696 1HB ARG A 41 -8.610 3.219 3.805 1.00 0.00 H ATOM 697 2HB ARG A 41 -8.882 2.893 5.510 1.00 0.00 H ATOM 698 1HG ARG A 41 -8.779 5.406 5.885 1.00 0.00 H ATOM 699 2HG ARG A 41 -8.838 5.568 4.113 1.00 0.00 H ATOM 700 1HD ARG A 41 -10.854 4.031 5.727 1.00 0.00 H ATOM 701 2HD ARG A 41 -11.029 5.741 5.270 1.00 0.00 H ATOM 702 HE ARG A 41 -11.214 3.398 3.521 1.00 0.00 H ATOM 703 1HH1 ARG A 41 -11.022 6.895 3.794 1.00 0.00 H ATOM 704 2HH1 ARG A 41 -11.671 7.181 2.195 1.00 0.00 H ATOM 705 1HH2 ARG A 41 -12.055 3.781 1.447 1.00 0.00 H ATOM 706 2HH2 ARG A 41 -12.256 5.419 0.866 1.00 0.00 H ATOM 707 N ARG A 42 -6.107 1.469 4.236 1.00 0.00 N ATOM 708 CA ARG A 42 -5.623 0.099 4.342 1.00 0.00 C ATOM 709 C ARG A 42 -4.200 0.057 4.885 1.00 0.00 C ATOM 710 O ARG A 42 -3.826 -0.870 5.603 1.00 0.00 O ATOM 711 CB ARG A 42 -5.666 -0.591 2.987 1.00 0.00 C ATOM 712 CG ARG A 42 -7.061 -0.925 2.483 1.00 0.00 C ATOM 713 CD ARG A 42 -7.024 -1.545 1.134 1.00 0.00 C ATOM 714 NE ARG A 42 -8.359 -1.798 0.616 1.00 0.00 N ATOM 715 CZ ARG A 42 -8.627 -2.522 -0.488 1.00 0.00 C ATOM 716 NH1 ARG A 42 -7.644 -3.055 -1.179 1.00 0.00 N ATOM 717 NH2 ARG A 42 -9.878 -2.695 -0.877 1.00 0.00 N ATOM 718 H ARG A 42 -6.210 1.885 3.321 1.00 0.00 H ATOM 719 HA ARG A 42 -6.274 -0.447 5.027 1.00 0.00 H ATOM 720 1HB ARG A 42 -5.189 0.043 2.241 1.00 0.00 H ATOM 721 2HB ARG A 42 -5.101 -1.522 3.034 1.00 0.00 H ATOM 722 1HG ARG A 42 -7.538 -1.625 3.169 1.00 0.00 H ATOM 723 2HG ARG A 42 -7.655 -0.012 2.424 1.00 0.00 H ATOM 724 1HD ARG A 42 -6.510 -0.879 0.441 1.00 0.00 H ATOM 725 2HD ARG A 42 -6.492 -2.495 1.185 1.00 0.00 H ATOM 726 HE ARG A 42 -9.141 -1.404 1.121 1.00 0.00 H ATOM 727 1HH1 ARG A 42 -6.687 -2.923 -0.881 1.00 0.00 H ATOM 728 2HH1 ARG A 42 -7.844 -3.597 -2.007 1.00 0.00 H ATOM 729 1HH2 ARG A 42 -10.634 -2.284 -0.346 1.00 0.00 H ATOM 730 2HH2 ARG A 42 -10.078 -3.236 -1.705 1.00 0.00 H ATOM 731 N LEU A 43 -3.410 1.068 4.538 1.00 0.00 N ATOM 732 CA LEU A 43 -2.026 1.149 4.989 1.00 0.00 C ATOM 733 C LEU A 43 -1.925 0.950 6.496 1.00 0.00 C ATOM 734 O LEU A 43 -2.845 1.289 7.239 1.00 0.00 O ATOM 735 OXT LEU A 43 -0.939 0.459 6.971 1.00 0.00 O ATOM 736 CB LEU A 43 -1.422 2.505 4.604 1.00 0.00 C ATOM 737 CG LEU A 43 0.074 2.674 4.896 1.00 0.00 C ATOM 738 CD1 LEU A 43 0.880 1.809 3.937 1.00 0.00 C ATOM 739 CD2 LEU A 43 0.456 4.141 4.761 1.00 0.00 C ATOM 740 H LEU A 43 -3.778 1.799 3.946 1.00 0.00 H ATOM 741 HA LEU A 43 -1.454 0.362 4.493 1.00 0.00 H ATOM 742 1HB LEU A 43 -1.571 2.661 3.536 1.00 0.00 H ATOM 743 2HB LEU A 43 -1.956 3.288 5.142 1.00 0.00 H ATOM 744 HG LEU A 43 0.287 2.335 5.910 1.00 0.00 H ATOM 745 1HD1 LEU A 43 1.944 1.929 4.145 1.00 0.00 H ATOM 746 2HD1 LEU A 43 0.602 0.763 4.068 1.00 0.00 H ATOM 747 3HD1 LEU A 43 0.675 2.113 2.912 1.00 0.00 H ATOM 748 1HD2 LEU A 43 1.519 4.261 4.970 1.00 0.00 H ATOM 749 2HD2 LEU A 43 0.244 4.480 3.747 1.00 0.00 H ATOM 750 3HD2 LEU A 43 -0.123 4.734 5.470 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE start11_0114_0002.pdb label fa_atr fa_rep fa_sol fa_intra_atr_xover4 fa_intra_rep_xover4 fa_intra_sol_xover4 lk_ball lk_ball_iso lk_ball_bridge lk_ball_bridge_uncpl fa_elec fa_intra_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun_dev fa_dun_rot fa_dun_semi p_aa_pp hxl_tors ref rama_prepro gen_bonded total weights 1 0.55 1 1 0.55 1 0.92 -0.38 -0.33 -0.33 1 1 1.25 1 1 1 1 1.25 0.48 0.69 0.76 0.78 0.61 1 1 0.5 1 NA pose -236.07 20.577 195.022 -19.6849 8.49963 17.6165 95.8657 -103.609 -0.35215 -2.75884 -78.9925 -16.874 0 -26.4614 -4.47956 -3.08347 -7.60348 0 2.29391 4.3112 24.5153 48.4123 -8.93282 4.87479 -30.4843 -2.40792 0 -119.806 ASP:NtermProteinFull_1 -3.51713 0.14388 3.56611 -0.12572 0.00834 0.3932 1.44859 -1.70565 -0 -0 -1.49505 -1.54965 0 0 0 0 0 0 0.08777 0.24305 0 2.20935 0 0 -2.3716 0 0 -2.66449 GLU_2 -4.0736 0.19763 4.79679 -0.46477 0.29694 1.46798 1.73428 -2.187 -0.02899 -0.15628 -3.05004 -2.85684 0 0 0 0 0 0 0.01664 0.0213 0 3.98726 -0.23454 0 -2.7348 -0.16931 0 -3.43735 GLU_3 -4.38742 0.13819 5.39632 -0.45916 0.22224 1.43609 1.78242 -2.34313 -0.05832 -0.30921 -1.13741 -2.87152 0 0 0 0 0 0 -0.04084 0.0257 0 4.00477 -0.21556 0 -2.7348 -0.33451 0 -1.88612 ILE_4 -7.02411 0.85686 3.75142 -0.51242 0.61319 0.10033 1.86635 -2.41136 -0.02933 -0.15293 -1.08736 0.08827 0 0 0 0 0 0 -0.06175 0.02444 0.58905 0 -0.47292 0 0.73287 -0.00903 0 -3.13844 LEU_5 -9.64638 1.12505 4.54841 -0.49579 0.37583 0.12196 2.75731 -3.37258 -0 -0 -1.55437 0.212 0 0 0 0 0 0 -0.01054 0.51386 0.33178 0 -0.28975 0 0.18072 0.11672 0 -5.08578 THR_6 -4.67148 0.19381 5.75696 -0.20371 0.15602 0.07355 2.63319 -2.63973 -0 -0 -2.62762 -0.11038 0 0 0 0 0 0 0.00441 0.00146 0.05338 0 -0.00626 2.29058 -1.0874 0.38487 0 0.20165 LEU_7 -6.41152 0.47152 4.13078 -0.50374 0.50287 0.11699 2.41724 -2.64347 -0.01524 -0.14925 -1.96535 0.25358 0 0 0 0 0 0 -0.01376 0.06851 0.457 0 -0.23666 0 0.18072 0.45846 0 -2.88131 ALA_8 -6.18376 0.55035 3.0713 -0.02187 0 0 2.69123 -2.64379 -0 -0 -2.2422 -0.35682 0 0 0 0 0 0 0.01286 0 0 0 -0.22124 0 1.8394 -0.04663 0 -3.55117 GLU_9 -5.60293 0.42285 6.22465 -0.32882 0.05484 0.38025 2.74127 -2.941 -0 -0 -3.23966 -0.56792 0 0 0 0 0 0 0.16775 0.0335 0 3.31849 -0.12817 0 -2.7348 -0.1299 0 -2.3296 GLU_10 -6.15614 0.33483 6.77484 -0.21591 0.03145 0.30605 2.6726 -3.13959 -0.02198 -0.25651 -1.7749 -0.60155 0 0 0 0 0 0 0.00072 0.00698 0 3.01435 -0.2517 0 -2.7348 -0.24637 0 -2.25763 ALA_11 -6.39276 0.57982 4.94189 -0.02058 0 0 3.53765 -3.13401 -0 -0 -2.72571 -0.33825 0 0 0 0 0 0 0.01965 0 0 0 -0.00929 0 1.8394 0.07119 0 -1.63101 LEU_12 -6.57504 0.22567 3.99291 -0.49725 0.41122 0.11629 1.92476 -2.61129 -0 -0 -0.97107 0.23675 0 0 0 0 0 0 -0.0357 0.156 0.42601 0 -0.25697 0 0.18072 0.27239 0 -3.00461 ARG_13 -4.93385 0.24313 5.48303 -0.78619 0.16539 0.54644 2.37071 -2.49461 -0.00674 -0.10726 -2.12933 0.30525 0 0 0 0 -0.80233 0 -0.00177 0.07001 2.89487 0 -0.11586 0 -1.2888 -0.05703 0 -0.64495 HIS_D_14 -5.61132 0.46874 5.57823 -0.39996 0.02289 0.51307 2.21199 -2.5655 -0 -0 -1.83787 -0.36805 0 0 0 0 -0.80233 0 -0.01758 0.01163 0 1.64521 -0.30459 0 -0.45461 -0.31355 0 -2.22361 ASN_15 -4.13216 0.56102 3.78742 -0.1922 0.04473 0.32525 1.32396 -1.94225 -0.00575 -0.08603 -0.55572 -1.01209 0 0 0 0 0 0 -0.06062 0.01835 0 2.02055 -1.04894 0 -0.93687 -0.44638 0 -2.33772 LYS_16 -5.28022 0.31681 5.18639 -0.4929 0.10793 0.33721 1.90994 -2.33156 -0 -0 -0.99251 -0.09766 0 0 0 0 0 0 0.06617 0.01942 2.39728 0 0.00752 0 -1.5107 -0.32839 0 -0.68528 ASP_17 -2.79812 0.07058 3.49688 -0.11146 0.00809 0.34138 1.31926 -1.42197 -0.01322 -0.10585 -3.63181 0.01379 0 0 0 0 -0.9969 0 0.02266 0.01109 0 2.91942 0.13932 0 -2.3716 -0.31883 0 -3.42728 LEU_18 -5.99494 0.73794 2.57596 -0.63135 0.56391 0.21922 2.13112 -2.04289 -0 -0 -2.13523 0.0096 0 0 0 0 0 0 0.13777 0.51615 1.15879 0 -0.08684 0 0.18072 -0.03199 0 -2.69205 ILE_19 -3.658 0.35578 1.38244 -0.48462 0.57335 0.10694 0.3812 -0.98879 -0 -0 -0.30053 -0.00565 0 0 0 0 0 0 0.03625 0.05173 0.32899 0 -0.75666 0 0.73287 -0.06218 0 -2.30689 ALA_20 -3.84342 0.44186 2.77651 -0.02224 0 0 2.22818 -1.80111 -0 -0 -1.28596 -0.41571 0 0 0 0 0 0 -0.00634 0 0 0 -0.42813 0 1.8394 -0.09478 0 -0.61173 HIS_D_21 -4.64762 1.23184 2.59556 -0.41507 0.02099 0.55216 0.83352 -1.49024 -0 -0 0.25599 -0.55032 0 0 0 0 0 0 -0.07364 0.02202 0 1.66695 -0.40115 0 -0.45461 0.23028 0 -0.62334 LEU_22 -1.906 0.64182 1.59718 -0.5271 0.3451 0.157 0.22866 -0.87327 -0 -0 -0.17146 -0.0812 0 0 0 0 0 0 0.12109 0.15805 0.13416 0 0.66856 0 0.18072 0.84899 0 1.52229 LEU_23 -5.78439 0.87233 3.15593 -0.47433 0.38795 0.09032 2.93327 -2.15562 -0 -0 -1.83043 0.10111 0 0 0 0 0 0 0.07957 0.05529 0.656 0 -0.19362 0 0.18072 0.5837 0 -1.34219 ARG_24 -4.16996 0.27545 2.65346 -0.50709 0.07482 0.26147 0.94319 -1.35264 -0 -0 -1.34419 0.54843 0 0 0 0 -0.57927 0 -0.01436 0.17271 2.16635 0 0.09853 0 -1.2888 -0.2389 0 -2.30081 PHE_25 -8.28588 0.56804 1.21537 -0.57348 0.06104 0.29525 2.29385 -1.9922 -0 -0 -2.05122 0.06938 0 0 0 0 0 0 -0.00854 0.00804 0 1.9208 -0.25693 0 1.0402 -0.31236 0 -6.00865 THR_26 -5.15917 0.67994 3.96095 -0.21875 0.17493 0.09583 2.06905 -2.2334 -0 -0 -2.06856 -1.40242 0 0 0 -0.46112 -0.41763 0 0.12758 0.2743 0.30772 0 0.10813 2.58421 -1.0874 0.02998 0 -2.63582 TRP_27 -6.62307 0.58801 3.6679 -1.45216 0.25562 0.64235 1.3612 -2.25285 -0.02343 -0.22083 -0.4266 -0.65535 0 0 0 -0.75973 0 0 0.22554 0.13823 0 1.65924 -0.03784 0 1.6906 0.106 0 -2.11718 ASN_28 -3.43027 0.33723 2.33459 -0.37791 0.09411 0.75563 0.68727 -1.36689 -0.01021 -0.11498 -0.42057 -0.5549 0 0 0 -0.46112 0 0 0.33158 0.07091 0 2.55428 -0.69379 0 -0.93687 -0.37147 0 -1.57338 ASP_29 -5.27864 0.80606 6.92818 -0.21298 0.07116 0.68907 3.46955 -3.20809 -0.01145 -0.08048 -2.86943 -1.40462 0 0 0 -0.32089 0 0 -0.05301 0.0124 0 2.15288 -0.58331 0 -2.3716 -0.17684 0 -2.44203 GLU_30 -3.79344 0.27148 4.788 -0.45718 0.21919 1.42317 2.0378 -2.1092 -0.03693 -0.22716 -1.41045 -2.98415 0 0 0 0 0 0 -0.08704 0.01068 0 3.83065 -0.34348 0 -2.7348 -0.11308 0 -1.71594 GLU_31 -4.82011 0.39809 6.99192 -0.46738 0.08295 0.96893 2.95481 -2.88073 -0.02548 -0.14667 -4.20509 -0.43038 0 0 0 -0.32089 -0.78645 0 0.43008 0.16322 0 3.16317 -0.34729 0 -2.7348 -0.40729 0 -2.4194 ALA_32 -5.50481 0.35271 4.01151 -0.02245 0 0 3.02393 -2.61291 -0 -0 -1.66826 -0.36319 0 0 0 0 0 0 0.2175 0 0 0 -0.18322 0 1.8394 -0.43167 0 -1.34146 ARG_33 -6.80105 0.35714 6.78214 -0.61235 0.16747 0.34529 3.33835 -3.26679 -0.00575 -0.08603 -2.50856 0.27888 0 0 0 -0.75973 0 0 0.2849 0.13589 2.52977 0 -0.08782 0 -1.2888 -0.24117 0 -1.43823 LYS_34 -5.67714 0.31708 7.5758 -0.31031 0.03379 0.14426 3.42001 -3.20039 -0.01715 -0.16859 -4.00845 0.0153 0 0 0 0 -0.78645 0 0.12348 0.21161 1.74013 0 0.01771 0 -1.5107 -0.11506 0 -2.19507 LEU_35 -6.78512 0.6159 4.15485 -0.71744 0.44022 0.29148 2.67897 -2.57879 -0 -0 -1.96917 0.15035 0 0 0 0 0 0 0.08556 0.12949 0.91386 0 -0.23184 0 0.18072 0.09018 0 -2.55077 PHE_36 -9.29266 0.66915 4.59506 -0.90473 0.04399 0.31188 3.1587 -3.17998 -0 -0 -2.28928 0.00228 0 0 0 0 0 0 -0.01441 0 0 1.81908 -0.4498 0 1.0402 0.423 0 -4.06751 GLU_37 -5.66649 0.29292 6.72562 -0.21481 0.02974 0.30013 2.77214 -3.07111 -0.01824 -0.21128 -2.22632 -0.58591 0 0 0 0 0 0 -0.01254 0.00859 0 3.00549 -0.23409 0 -2.7348 0.09622 0 -1.74475 GLU_38 -6.90919 0.44005 8.63044 -0.65827 0.15272 1.2053 3.98373 -3.66426 -0 -0 -4.41038 -0.53121 0 0 0 0 -1.21606 0 0.07796 0.03767 0 3.52041 -0.17159 0 -2.7348 -0.29229 0 -2.53978 LEU_39 -7.92119 0.81197 4.4424 -0.49998 0.41831 0.12125 2.6592 -2.85515 -0 -0 -2.18975 0.23305 0 0 0 0 0 0 0.03669 0.23576 0.2966 0 -0.29295 0 0.18072 -0.13652 0 -4.45959 ARG_40 -6.96178 0.55073 5.81085 -1.15439 0.57362 0.79482 2.40748 -3.01626 -0.00587 -0.02907 -1.06088 0.25077 0 0 0 0 0 0 0.08905 0.07917 3.14508 0 -0.10259 0 -1.2888 -0.10006 0 -0.01814 ARG_41 -5.17468 0.27786 6.64649 -0.77055 0.19578 0.50639 2.36477 -2.90827 -0.0122 -0.12135 -2.00974 0.38436 0 0 0 0 -0.43221 0 0.00106 0.23868 1.54131 0 -0.13981 0 -1.2888 -0.1953 0 -0.89622 ARG_42 -4.2636 0.3506 5.1685 -0.44456 0.06081 0.22707 2.20229 -2.09662 -0 -0 -1.5194 0.34261 0 0 0 0 -0.78385 0 0.00207 0.24143 2.01108 0 -0.15737 0 -1.2888 -0.26061 0 -0.20837 LEU:CtermProteinFull_43 -4.3197 0.43424 3.36962 -0.72096 0.4361 0.5352 1.96071 -1.88182 -0.00587 -0.02907 0.14946 0.32594 0 0 0 0 0 0 0 0.1139 0.43613 0 0 0 0.18072 -0.1384 0 0.84619 #END_POSE_ENERGIES_TABLE start11_0114_0002.pdb score_per_res -2.7862 total_score -119.806
HEEH_KT_rd6_3976.pdb
ATOM 1 N ASP A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA ASP A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C ASP A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O ASP A 1 1.525 2.285 -0.731 1.00 0.00 O ATOM 5 CB ASP A 1 1.994 -0.762 -1.214 1.00 0.00 C ATOM 6 CG ASP A 1 1.650 -2.245 -1.183 1.00 0.00 C ATOM 7 OD1 ASP A 1 1.173 -2.703 -0.172 1.00 0.00 O ATOM 8 OD2 ASP A 1 1.866 -2.905 -2.171 1.00 0.00 O ATOM 9 1H ASP A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 10 2H ASP A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 11 3H ASP A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 12 HA ASP A 1 1.804 -0.509 0.900 1.00 0.00 H ATOM 13 1HB ASP A 1 1.585 -0.327 -2.127 1.00 0.00 H ATOM 14 2HB ASP A 1 3.079 -0.657 -1.260 1.00 0.00 H ATOM 15 N GLU A 2 3.024 1.655 0.824 1.00 0.00 N ATOM 16 CA GLU A 2 3.580 2.993 0.992 1.00 0.00 C ATOM 17 C GLU A 2 4.215 3.493 -0.300 1.00 0.00 C ATOM 18 O GLU A 2 4.101 4.669 -0.643 1.00 0.00 O ATOM 19 CB GLU A 2 4.616 3.002 2.118 1.00 0.00 C ATOM 20 CG GLU A 2 4.031 2.834 3.513 1.00 0.00 C ATOM 21 CD GLU A 2 5.085 2.709 4.578 1.00 0.00 C ATOM 22 OE1 GLU A 2 6.158 2.247 4.274 1.00 0.00 O ATOM 23 OE2 GLU A 2 4.815 3.077 5.697 1.00 0.00 O ATOM 24 H GLU A 2 3.420 0.888 1.348 1.00 0.00 H ATOM 25 HA GLU A 2 2.772 3.671 1.270 1.00 0.00 H ATOM 26 1HB GLU A 2 5.335 2.198 1.957 1.00 0.00 H ATOM 27 2HB GLU A 2 5.167 3.943 2.097 1.00 0.00 H ATOM 28 1HG GLU A 2 3.403 3.696 3.738 1.00 0.00 H ATOM 29 2HG GLU A 2 3.401 1.946 3.526 1.00 0.00 H ATOM 30 N GLU A 3 4.881 2.591 -1.012 1.00 0.00 N ATOM 31 CA GLU A 3 5.571 2.948 -2.246 1.00 0.00 C ATOM 32 C GLU A 3 4.593 3.452 -3.299 1.00 0.00 C ATOM 33 O GLU A 3 4.883 4.402 -4.026 1.00 0.00 O ATOM 34 CB GLU A 3 6.347 1.746 -2.789 1.00 0.00 C ATOM 35 CG GLU A 3 7.477 1.267 -1.889 1.00 0.00 C ATOM 36 CD GLU A 3 7.001 0.378 -0.775 1.00 0.00 C ATOM 37 OE1 GLU A 3 5.820 0.136 -0.697 1.00 0.00 O ATOM 38 OE2 GLU A 3 7.818 -0.059 0.000 1.00 0.00 O ATOM 39 H GLU A 3 4.911 1.634 -0.692 1.00 0.00 H ATOM 40 HA GLU A 3 6.286 3.741 -2.025 1.00 0.00 H ATOM 41 1HB GLU A 3 5.663 0.910 -2.941 1.00 0.00 H ATOM 42 2HB GLU A 3 6.776 1.998 -3.759 1.00 0.00 H ATOM 43 1HG GLU A 3 8.200 0.719 -2.492 1.00 0.00 H ATOM 44 2HG GLU A 3 7.982 2.135 -1.466 1.00 0.00 H ATOM 45 N GLU A 4 3.432 2.810 -3.376 1.00 0.00 N ATOM 46 CA GLU A 4 2.432 3.151 -4.381 1.00 0.00 C ATOM 47 C GLU A 4 1.773 4.489 -4.071 1.00 0.00 C ATOM 48 O GLU A 4 1.513 5.287 -4.971 1.00 0.00 O ATOM 49 CB GLU A 4 1.368 2.055 -4.469 1.00 0.00 C ATOM 50 CG GLU A 4 1.873 0.732 -5.026 1.00 0.00 C ATOM 51 CD GLU A 4 2.420 0.855 -6.420 1.00 0.00 C ATOM 52 OE1 GLU A 4 1.792 1.492 -7.231 1.00 0.00 O ATOM 53 OE2 GLU A 4 3.469 0.310 -6.675 1.00 0.00 O ATOM 54 H GLU A 4 3.236 2.066 -2.721 1.00 0.00 H ATOM 55 HA GLU A 4 2.928 3.221 -5.351 1.00 0.00 H ATOM 56 1HB GLU A 4 0.958 1.866 -3.477 1.00 0.00 H ATOM 57 2HB GLU A 4 0.548 2.394 -5.103 1.00 0.00 H ATOM 58 1HG GLU A 4 2.657 0.350 -4.372 1.00 0.00 H ATOM 59 2HG GLU A 4 1.055 0.013 -5.024 1.00 0.00 H ATOM 60 N LEU A 5 1.505 4.728 -2.792 1.00 0.00 N ATOM 61 CA LEU A 5 0.901 5.982 -2.357 1.00 0.00 C ATOM 62 C LEU A 5 1.822 7.162 -2.636 1.00 0.00 C ATOM 63 O LEU A 5 1.370 8.231 -3.046 1.00 0.00 O ATOM 64 CB LEU A 5 0.574 5.922 -0.860 1.00 0.00 C ATOM 65 CG LEU A 5 -0.544 4.951 -0.461 1.00 0.00 C ATOM 66 CD1 LEU A 5 -0.529 4.751 1.049 1.00 0.00 C ATOM 67 CD2 LEU A 5 -1.884 5.502 -0.926 1.00 0.00 C ATOM 68 H LEU A 5 1.724 4.022 -2.103 1.00 0.00 H ATOM 69 HA LEU A 5 -0.029 6.127 -2.908 1.00 0.00 H ATOM 70 1HB LEU A 5 1.474 5.631 -0.320 1.00 0.00 H ATOM 71 2HB LEU A 5 0.283 6.918 -0.527 1.00 0.00 H ATOM 72 HG LEU A 5 -0.368 3.982 -0.927 1.00 0.00 H ATOM 73 1HD1 LEU A 5 -1.324 4.061 1.332 1.00 0.00 H ATOM 74 2HD1 LEU A 5 0.433 4.339 1.352 1.00 0.00 H ATOM 75 3HD1 LEU A 5 -0.686 5.709 1.544 1.00 0.00 H ATOM 76 1HD2 LEU A 5 -2.679 4.811 -0.643 1.00 0.00 H ATOM 77 2HD2 LEU A 5 -2.062 6.471 -0.459 1.00 0.00 H ATOM 78 3HD2 LEU A 5 -1.873 5.618 -2.010 1.00 0.00 H ATOM 79 N ALA A 6 3.116 6.963 -2.410 1.00 0.00 N ATOM 80 CA ALA A 6 4.108 7.998 -2.672 1.00 0.00 C ATOM 81 C ALA A 6 4.166 8.343 -4.155 1.00 0.00 C ATOM 82 O ALA A 6 4.236 9.515 -4.526 1.00 0.00 O ATOM 83 CB ALA A 6 5.478 7.556 -2.178 1.00 0.00 C ATOM 84 H ALA A 6 3.420 6.070 -2.047 1.00 0.00 H ATOM 85 HA ALA A 6 3.829 8.894 -2.116 1.00 0.00 H ATOM 86 1HB ALA A 6 6.208 8.340 -2.381 1.00 0.00 H ATOM 87 2HB ALA A 6 5.435 7.369 -1.105 1.00 0.00 H ATOM 88 3HB ALA A 6 5.774 6.644 -2.694 1.00 0.00 H ATOM 89 N LYS A 7 4.136 7.316 -4.997 1.00 0.00 N ATOM 90 CA LYS A 7 4.176 7.510 -6.442 1.00 0.00 C ATOM 91 C LYS A 7 2.950 8.271 -6.929 1.00 0.00 C ATOM 92 O LYS A 7 3.052 9.145 -7.790 1.00 0.00 O ATOM 93 CB LYS A 7 4.278 6.163 -7.160 1.00 0.00 C ATOM 94 CG LYS A 7 5.653 5.514 -7.087 1.00 0.00 C ATOM 95 CD LYS A 7 5.749 4.314 -8.018 1.00 0.00 C ATOM 96 CE LYS A 7 4.990 3.119 -7.460 1.00 0.00 C ATOM 97 NZ LYS A 7 5.229 1.886 -8.260 1.00 0.00 N ATOM 98 H LYS A 7 4.086 6.378 -4.627 1.00 0.00 H ATOM 99 HA LYS A 7 5.067 8.086 -6.690 1.00 0.00 H ATOM 100 1HB LYS A 7 3.556 5.467 -6.732 1.00 0.00 H ATOM 101 2HB LYS A 7 4.024 6.292 -8.212 1.00 0.00 H ATOM 102 1HG LYS A 7 6.415 6.242 -7.367 1.00 0.00 H ATOM 103 2HG LYS A 7 5.848 5.187 -6.066 1.00 0.00 H ATOM 104 1HD LYS A 7 5.334 4.576 -8.992 1.00 0.00 H ATOM 105 2HD LYS A 7 6.795 4.039 -8.150 1.00 0.00 H ATOM 106 1HE LYS A 7 5.303 2.937 -6.433 1.00 0.00 H ATOM 107 2HE LYS A 7 3.922 3.334 -7.459 1.00 0.00 H ATOM 108 1HZ LYS A 7 4.709 1.118 -7.859 1.00 0.00 H ATOM 109 2HZ LYS A 7 4.925 2.038 -9.212 1.00 0.00 H ATOM 110 3HZ LYS A 7 6.214 1.665 -8.253 1.00 0.00 H ATOM 111 N GLU A 8 1.791 7.936 -6.372 1.00 0.00 N ATOM 112 CA GLU A 8 0.556 8.643 -6.689 1.00 0.00 C ATOM 113 C GLU A 8 0.639 10.108 -6.279 1.00 0.00 C ATOM 114 O GLU A 8 0.179 10.992 -7.001 1.00 0.00 O ATOM 115 CB GLU A 8 -0.634 7.976 -5.994 1.00 0.00 C ATOM 116 CG GLU A 8 -1.036 6.634 -6.588 1.00 0.00 C ATOM 117 CD GLU A 8 -2.149 5.968 -5.828 1.00 0.00 C ATOM 118 OE1 GLU A 8 -2.555 6.497 -4.820 1.00 0.00 O ATOM 119 OE2 GLU A 8 -2.595 4.929 -6.255 1.00 0.00 O ATOM 120 H GLU A 8 1.765 7.171 -5.713 1.00 0.00 H ATOM 121 HA GLU A 8 0.394 8.591 -7.766 1.00 0.00 H ATOM 122 1HB GLU A 8 -0.399 7.820 -4.941 1.00 0.00 H ATOM 123 2HB GLU A 8 -1.500 8.636 -6.042 1.00 0.00 H ATOM 124 1HG GLU A 8 -1.356 6.785 -7.619 1.00 0.00 H ATOM 125 2HG GLU A 8 -0.167 5.978 -6.599 1.00 0.00 H ATOM 126 N ALA A 9 1.228 10.359 -5.115 1.00 0.00 N ATOM 127 CA ALA A 9 1.415 11.720 -4.627 1.00 0.00 C ATOM 128 C ALA A 9 2.323 12.518 -5.555 1.00 0.00 C ATOM 129 O ALA A 9 2.069 13.690 -5.830 1.00 0.00 O ATOM 130 CB ALA A 9 1.983 11.705 -3.216 1.00 0.00 C ATOM 131 H ALA A 9 1.557 9.586 -4.553 1.00 0.00 H ATOM 132 HA ALA A 9 0.441 12.209 -4.587 1.00 0.00 H ATOM 133 1HB ALA A 9 2.117 12.728 -2.866 1.00 0.00 H ATOM 134 2HB ALA A 9 1.295 11.181 -2.552 1.00 0.00 H ATOM 135 3HB ALA A 9 2.944 11.193 -3.217 1.00 0.00 H ATOM 136 N GLU A 10 3.382 11.875 -6.033 1.00 0.00 N ATOM 137 CA GLU A 10 4.346 12.532 -6.907 1.00 0.00 C ATOM 138 C GLU A 10 3.687 13.006 -8.196 1.00 0.00 C ATOM 139 O GLU A 10 3.966 14.102 -8.681 1.00 0.00 O ATOM 140 CB GLU A 10 5.503 11.584 -7.233 1.00 0.00 C ATOM 141 CG GLU A 10 6.469 11.353 -6.080 1.00 0.00 C ATOM 142 CD GLU A 10 7.482 10.280 -6.372 1.00 0.00 C ATOM 143 OE1 GLU A 10 7.339 9.610 -7.366 1.00 0.00 O ATOM 144 OE2 GLU A 10 8.399 10.131 -5.599 1.00 0.00 O ATOM 145 H GLU A 10 3.524 10.906 -5.784 1.00 0.00 H ATOM 146 HA GLU A 10 4.754 13.398 -6.384 1.00 0.00 H ATOM 147 1HB GLU A 10 5.105 10.615 -7.535 1.00 0.00 H ATOM 148 2HB GLU A 10 6.073 11.981 -8.073 1.00 0.00 H ATOM 149 1HG GLU A 10 6.994 12.284 -5.867 1.00 0.00 H ATOM 150 2HG GLU A 10 5.901 11.077 -5.193 1.00 0.00 H ATOM 151 N ARG A 11 2.811 12.173 -8.748 1.00 0.00 N ATOM 152 CA ARG A 11 2.075 12.525 -9.956 1.00 0.00 C ATOM 153 C ARG A 11 1.067 13.635 -9.684 1.00 0.00 C ATOM 154 O ARG A 11 0.854 14.510 -10.523 1.00 0.00 O ATOM 155 CB ARG A 11 1.348 11.310 -10.513 1.00 0.00 C ATOM 156 CG ARG A 11 2.246 10.266 -11.157 1.00 0.00 C ATOM 157 CD ARG A 11 1.470 9.307 -11.984 1.00 0.00 C ATOM 158 NE ARG A 11 0.605 8.466 -11.172 1.00 0.00 N ATOM 159 CZ ARG A 11 0.976 7.294 -10.622 1.00 0.00 C ATOM 160 NH1 ARG A 11 2.196 6.838 -10.805 1.00 0.00 N ATOM 161 NH2 ARG A 11 0.114 6.601 -9.897 1.00 0.00 N ATOM 162 H ARG A 11 2.649 11.272 -8.318 1.00 0.00 H ATOM 163 HA ARG A 11 2.786 12.873 -10.705 1.00 0.00 H ATOM 164 1HB ARG A 11 0.793 10.820 -9.714 1.00 0.00 H ATOM 165 2HB ARG A 11 0.625 11.631 -11.263 1.00 0.00 H ATOM 166 1HG ARG A 11 2.976 10.760 -11.798 1.00 0.00 H ATOM 167 2HG ARG A 11 2.767 9.705 -10.380 1.00 0.00 H ATOM 168 1HD ARG A 11 0.846 9.857 -12.688 1.00 0.00 H ATOM 169 2HD ARG A 11 2.155 8.662 -12.533 1.00 0.00 H ATOM 170 HE ARG A 11 -0.341 8.784 -11.008 1.00 0.00 H ATOM 171 1HH1 ARG A 11 2.855 7.367 -11.359 1.00 0.00 H ATOM 172 2HH1 ARG A 11 2.474 5.959 -10.393 1.00 0.00 H ATOM 173 1HH2 ARG A 11 -0.823 6.952 -9.756 1.00 0.00 H ATOM 174 2HH2 ARG A 11 0.392 5.723 -9.485 1.00 0.00 H ATOM 175 N ARG A 12 0.452 13.593 -8.508 1.00 0.00 N ATOM 176 CA ARG A 12 -0.550 14.583 -8.132 1.00 0.00 C ATOM 177 C ARG A 12 0.102 15.874 -7.658 1.00 0.00 C ATOM 178 O ARG A 12 -0.551 16.913 -7.565 1.00 0.00 O ATOM 179 CB ARG A 12 -1.453 14.042 -7.033 1.00 0.00 C ATOM 180 CG ARG A 12 -2.366 12.903 -7.459 1.00 0.00 C ATOM 181 CD ARG A 12 -3.130 12.353 -6.310 1.00 0.00 C ATOM 182 NE ARG A 12 -2.266 11.663 -5.365 1.00 0.00 N ATOM 183 CZ ARG A 12 -2.653 11.233 -4.148 1.00 0.00 C ATOM 184 NH1 ARG A 12 -3.889 11.429 -3.744 1.00 0.00 N ATOM 185 NH2 ARG A 12 -1.790 10.614 -3.361 1.00 0.00 N ATOM 186 H ARG A 12 0.684 12.856 -7.857 1.00 0.00 H ATOM 187 HA ARG A 12 -1.165 14.802 -9.006 1.00 0.00 H ATOM 188 1HB ARG A 12 -0.843 13.684 -6.205 1.00 0.00 H ATOM 189 2HB ARG A 12 -2.083 14.845 -6.652 1.00 0.00 H ATOM 190 1HG ARG A 12 -3.077 13.265 -8.202 1.00 0.00 H ATOM 191 2HG ARG A 12 -1.768 12.099 -7.890 1.00 0.00 H ATOM 192 1HD ARG A 12 -3.630 13.165 -5.784 1.00 0.00 H ATOM 193 2HD ARG A 12 -3.873 11.644 -6.673 1.00 0.00 H ATOM 194 HE ARG A 12 -1.308 11.494 -5.640 1.00 0.00 H ATOM 195 1HH1 ARG A 12 -4.548 11.902 -4.346 1.00 0.00 H ATOM 196 2HH1 ARG A 12 -4.179 11.107 -2.832 1.00 0.00 H ATOM 197 1HH2 ARG A 12 -0.840 10.464 -3.671 1.00 0.00 H ATOM 198 2HH2 ARG A 12 -2.080 10.292 -2.449 1.00 0.00 H ATOM 199 N GLY A 13 1.395 15.803 -7.359 1.00 0.00 N ATOM 200 CA GLY A 13 2.147 16.975 -6.926 1.00 0.00 C ATOM 201 C GLY A 13 1.969 17.224 -5.434 1.00 0.00 C ATOM 202 O GLY A 13 2.035 18.362 -4.971 1.00 0.00 O ATOM 203 H GLY A 13 1.869 14.915 -7.435 1.00 0.00 H ATOM 204 1HA GLY A 13 3.204 16.833 -7.152 1.00 0.00 H ATOM 205 2HA GLY A 13 1.814 17.848 -7.486 1.00 0.00 H ATOM 206 N ILE A 14 1.742 16.150 -4.684 1.00 0.00 N ATOM 207 CA ILE A 14 1.540 16.251 -3.244 1.00 0.00 C ATOM 208 C ILE A 14 2.779 15.799 -2.480 1.00 0.00 C ATOM 209 O ILE A 14 3.315 14.721 -2.732 1.00 0.00 O ATOM 210 CB ILE A 14 0.327 15.413 -2.800 1.00 0.00 C ATOM 211 CG1 ILE A 14 -0.942 15.891 -3.511 1.00 0.00 C ATOM 212 CG2 ILE A 14 0.155 15.484 -1.291 1.00 0.00 C ATOM 213 CD1 ILE A 14 -2.101 14.926 -3.405 1.00 0.00 C ATOM 214 H ILE A 14 1.709 15.242 -5.123 1.00 0.00 H ATOM 215 HA ILE A 14 1.337 17.294 -2.995 1.00 0.00 H ATOM 216 HB ILE A 14 0.478 14.373 -3.090 1.00 0.00 H ATOM 217 1HG1 ILE A 14 -1.254 16.847 -3.093 1.00 0.00 H ATOM 218 2HG1 ILE A 14 -0.728 16.051 -4.568 1.00 0.00 H ATOM 219 1HG2 ILE A 14 -0.707 14.887 -0.994 1.00 0.00 H ATOM 220 2HG2 ILE A 14 1.049 15.098 -0.804 1.00 0.00 H ATOM 221 3HG2 ILE A 14 -0.002 16.521 -0.991 1.00 0.00 H ATOM 222 1HD1 ILE A 14 -2.963 15.335 -3.934 1.00 0.00 H ATOM 223 2HD1 ILE A 14 -1.821 13.971 -3.851 1.00 0.00 H ATOM 224 3HD1 ILE A 14 -2.356 14.778 -2.357 1.00 0.00 H ATOM 225 N LYS A 15 3.228 16.631 -1.546 1.00 0.00 N ATOM 226 CA LYS A 15 4.413 16.326 -0.755 1.00 0.00 C ATOM 227 C LYS A 15 4.234 15.034 0.032 1.00 0.00 C ATOM 228 O LYS A 15 3.201 14.821 0.667 1.00 0.00 O ATOM 229 CB LYS A 15 4.734 17.481 0.196 1.00 0.00 C ATOM 230 CG LYS A 15 6.000 17.285 1.019 1.00 0.00 C ATOM 231 CD LYS A 15 6.361 18.547 1.787 1.00 0.00 C ATOM 232 CE LYS A 15 7.585 18.332 2.665 1.00 0.00 C ATOM 233 NZ LYS A 15 7.991 19.578 3.370 1.00 0.00 N ATOM 234 H LYS A 15 2.734 17.497 -1.379 1.00 0.00 H ATOM 235 HA LYS A 15 5.260 16.208 -1.432 1.00 0.00 H ATOM 236 1HB LYS A 15 4.845 18.402 -0.375 1.00 0.00 H ATOM 237 2HB LYS A 15 3.904 17.623 0.889 1.00 0.00 H ATOM 238 1HG LYS A 15 5.851 16.469 1.728 1.00 0.00 H ATOM 239 2HG LYS A 15 6.826 17.022 0.359 1.00 0.00 H ATOM 240 1HD LYS A 15 6.567 19.355 1.083 1.00 0.00 H ATOM 241 2HD LYS A 15 5.522 18.843 2.417 1.00 0.00 H ATOM 242 1HE LYS A 15 7.370 17.563 3.406 1.00 0.00 H ATOM 243 2HE LYS A 15 8.418 17.989 2.050 1.00 0.00 H ATOM 244 1HZ LYS A 15 8.805 19.393 3.940 1.00 0.00 H ATOM 245 2HZ LYS A 15 8.212 20.293 2.690 1.00 0.00 H ATOM 246 3HZ LYS A 15 7.234 19.895 3.958 1.00 0.00 H ATOM 247 N VAL A 16 5.244 14.173 -0.015 1.00 0.00 N ATOM 248 CA VAL A 16 5.220 12.921 0.730 1.00 0.00 C ATOM 249 C VAL A 16 5.988 13.044 2.040 1.00 0.00 C ATOM 250 O VAL A 16 7.114 13.542 2.066 1.00 0.00 O ATOM 251 CB VAL A 16 5.828 11.785 -0.114 1.00 0.00 C ATOM 252 CG1 VAL A 16 5.842 10.484 0.676 1.00 0.00 C ATOM 253 CG2 VAL A 16 5.042 11.622 -1.406 1.00 0.00 C ATOM 254 H VAL A 16 6.051 14.392 -0.582 1.00 0.00 H ATOM 255 HA VAL A 16 4.182 12.673 0.956 1.00 0.00 H ATOM 256 HB VAL A 16 6.864 12.031 -0.346 1.00 0.00 H ATOM 257 1HG1 VAL A 16 6.276 9.692 0.064 1.00 0.00 H ATOM 258 2HG1 VAL A 16 6.440 10.613 1.578 1.00 0.00 H ATOM 259 3HG1 VAL A 16 4.823 10.213 0.950 1.00 0.00 H ATOM 260 1HG2 VAL A 16 5.478 10.818 -1.998 1.00 0.00 H ATOM 261 2HG2 VAL A 16 4.005 11.381 -1.174 1.00 0.00 H ATOM 262 3HG2 VAL A 16 5.080 12.552 -1.974 1.00 0.00 H ATOM 263 N PHE A 17 5.375 12.587 3.126 1.00 0.00 N ATOM 264 CA PHE A 17 5.941 12.763 4.458 1.00 0.00 C ATOM 265 C PHE A 17 6.383 11.430 5.050 1.00 0.00 C ATOM 266 O PHE A 17 5.809 10.385 4.745 1.00 0.00 O ATOM 267 CB PHE A 17 4.923 13.427 5.387 1.00 0.00 C ATOM 268 CG PHE A 17 4.550 14.823 4.978 1.00 0.00 C ATOM 269 CD1 PHE A 17 3.536 15.044 4.058 1.00 0.00 C ATOM 270 CD2 PHE A 17 5.213 15.918 5.512 1.00 0.00 C ATOM 271 CE1 PHE A 17 3.192 16.329 3.682 1.00 0.00 C ATOM 272 CE2 PHE A 17 4.870 17.203 5.138 1.00 0.00 C ATOM 273 CZ PHE A 17 3.859 17.408 4.221 1.00 0.00 C ATOM 274 H PHE A 17 4.493 12.104 3.026 1.00 0.00 H ATOM 275 HA PHE A 17 6.811 13.417 4.380 1.00 0.00 H ATOM 276 1HB PHE A 17 4.014 12.827 5.418 1.00 0.00 H ATOM 277 2HB PHE A 17 5.325 13.464 6.399 1.00 0.00 H ATOM 278 HD1 PHE A 17 3.008 14.191 3.632 1.00 0.00 H ATOM 279 HD2 PHE A 17 6.012 15.756 6.236 1.00 0.00 H ATOM 280 HE1 PHE A 17 2.393 16.489 2.958 1.00 0.00 H ATOM 281 HE2 PHE A 17 5.399 18.055 5.565 1.00 0.00 H ATOM 282 HZ PHE A 17 3.589 18.421 3.924 1.00 0.00 H ATOM 283 N SER A 18 7.405 11.475 5.897 1.00 0.00 N ATOM 284 CA SER A 18 7.841 10.295 6.634 1.00 0.00 C ATOM 285 C SER A 18 8.366 10.671 8.013 1.00 0.00 C ATOM 286 O SER A 18 8.758 11.813 8.249 1.00 0.00 O ATOM 287 CB SER A 18 8.917 9.561 5.856 1.00 0.00 C ATOM 288 OG SER A 18 10.072 10.345 5.735 1.00 0.00 O ATOM 289 H SER A 18 7.893 12.349 6.032 1.00 0.00 H ATOM 290 HA SER A 18 6.987 9.628 6.754 1.00 0.00 H ATOM 291 1HB SER A 18 9.159 8.628 6.363 1.00 0.00 H ATOM 292 2HB SER A 18 8.540 9.308 4.866 1.00 0.00 H ATOM 293 HG SER A 18 10.706 9.809 5.253 1.00 0.00 H ATOM 294 N GLY A 19 8.370 9.702 8.923 1.00 0.00 N ATOM 295 CA GLY A 19 8.912 9.910 10.260 1.00 0.00 C ATOM 296 C GLY A 19 8.336 8.905 11.250 1.00 0.00 C ATOM 297 O GLY A 19 7.731 7.908 10.856 1.00 0.00 O ATOM 298 H GLY A 19 7.990 8.798 8.681 1.00 0.00 H ATOM 299 1HA GLY A 19 9.997 9.817 10.233 1.00 0.00 H ATOM 300 2HA GLY A 19 8.685 10.923 10.591 1.00 0.00 H ATOM 301 N VAL A 20 8.528 9.172 12.537 1.00 0.00 N ATOM 302 CA VAL A 20 8.124 8.240 13.582 1.00 0.00 C ATOM 303 C VAL A 20 6.957 8.791 14.391 1.00 0.00 C ATOM 304 O VAL A 20 7.012 9.912 14.895 1.00 0.00 O ATOM 305 CB VAL A 20 9.307 7.950 14.526 1.00 0.00 C ATOM 306 CG1 VAL A 20 8.879 7.006 15.640 1.00 0.00 C ATOM 307 CG2 VAL A 20 10.466 7.362 13.737 1.00 0.00 C ATOM 308 H VAL A 20 8.966 10.045 12.798 1.00 0.00 H ATOM 309 HA VAL A 20 7.814 7.307 13.112 1.00 0.00 H ATOM 310 HB VAL A 20 9.621 8.881 14.996 1.00 0.00 H ATOM 311 1HG1 VAL A 20 9.727 6.812 16.298 1.00 0.00 H ATOM 312 2HG1 VAL A 20 8.073 7.463 16.214 1.00 0.00 H ATOM 313 3HG1 VAL A 20 8.533 6.067 15.209 1.00 0.00 H ATOM 314 1HG2 VAL A 20 11.299 7.160 14.410 1.00 0.00 H ATOM 315 2HG2 VAL A 20 10.150 6.433 13.261 1.00 0.00 H ATOM 316 3HG2 VAL A 20 10.783 8.071 12.971 1.00 0.00 H ATOM 317 N ASP A 21 5.899 7.995 14.511 1.00 0.00 N ATOM 318 CA ASP A 21 4.704 8.413 15.235 1.00 0.00 C ATOM 319 C ASP A 21 4.089 7.249 16.002 1.00 0.00 C ATOM 320 O ASP A 21 4.595 6.128 15.958 1.00 0.00 O ATOM 321 CB ASP A 21 3.670 9.000 14.271 1.00 0.00 C ATOM 322 CG ASP A 21 2.738 10.002 14.938 1.00 0.00 C ATOM 323 OD1 ASP A 21 2.671 10.009 16.145 1.00 0.00 O ATOM 324 OD2 ASP A 21 2.103 10.752 14.236 1.00 0.00 O ATOM 325 H ASP A 21 5.924 7.077 14.090 1.00 0.00 H ATOM 326 HA ASP A 21 4.984 9.192 15.946 1.00 0.00 H ATOM 327 1HB ASP A 21 4.182 9.495 13.445 1.00 0.00 H ATOM 328 2HB ASP A 21 3.069 8.194 13.847 1.00 0.00 H ATOM 329 N PHE A 22 2.996 7.523 16.705 1.00 0.00 N ATOM 330 CA PHE A 22 2.283 6.490 17.446 1.00 0.00 C ATOM 331 C PHE A 22 3.217 5.749 18.395 1.00 0.00 C ATOM 332 O PHE A 22 3.101 4.537 18.574 1.00 0.00 O ATOM 333 CB PHE A 22 1.631 5.496 16.483 1.00 0.00 C ATOM 334 CG PHE A 22 0.660 6.127 15.526 1.00 0.00 C ATOM 335 CD1 PHE A 22 1.029 6.392 14.215 1.00 0.00 C ATOM 336 CD2 PHE A 22 -0.623 6.457 15.934 1.00 0.00 C ATOM 337 CE1 PHE A 22 0.136 6.972 13.334 1.00 0.00 C ATOM 338 CE2 PHE A 22 -1.518 7.036 15.055 1.00 0.00 C ATOM 339 CZ PHE A 22 -1.137 7.294 13.754 1.00 0.00 C ATOM 340 H PHE A 22 2.649 8.472 16.727 1.00 0.00 H ATOM 341 HA PHE A 22 1.501 6.966 18.038 1.00 0.00 H ATOM 342 1HB PHE A 22 2.403 4.993 15.902 1.00 0.00 H ATOM 343 2HB PHE A 22 1.101 4.733 17.051 1.00 0.00 H ATOM 344 HD1 PHE A 22 2.035 6.136 13.883 1.00 0.00 H ATOM 345 HD2 PHE A 22 -0.924 6.254 16.962 1.00 0.00 H ATOM 346 HE1 PHE A 22 0.439 7.175 12.307 1.00 0.00 H ATOM 347 HE2 PHE A 22 -2.524 7.291 15.389 1.00 0.00 H ATOM 348 HZ PHE A 22 -1.841 7.753 13.060 1.00 0.00 H ATOM 349 N GLY A 23 4.141 6.485 19.001 1.00 0.00 N ATOM 350 CA GLY A 23 5.140 5.889 19.881 1.00 0.00 C ATOM 351 C GLY A 23 6.505 5.834 19.208 1.00 0.00 C ATOM 352 O GLY A 23 7.234 6.825 19.180 1.00 0.00 O ATOM 353 H GLY A 23 4.153 7.484 18.849 1.00 0.00 H ATOM 354 1HA GLY A 23 5.207 6.469 20.802 1.00 0.00 H ATOM 355 2HA GLY A 23 4.826 4.883 20.158 1.00 0.00 H ATOM 356 N ASN A 24 6.846 4.669 18.667 1.00 0.00 N ATOM 357 CA ASN A 24 8.132 4.477 18.010 1.00 0.00 C ATOM 358 C ASN A 24 7.980 3.685 16.717 1.00 0.00 C ATOM 359 O ASN A 24 8.776 2.793 16.427 1.00 0.00 O ATOM 360 CB ASN A 24 9.111 3.789 18.945 1.00 0.00 C ATOM 361 CG ASN A 24 10.535 3.908 18.479 1.00 0.00 C ATOM 362 OD1 ASN A 24 10.932 4.931 17.908 1.00 0.00 O ATOM 363 ND2 ASN A 24 11.313 2.882 18.712 1.00 0.00 N ATOM 364 H ASN A 24 6.195 3.898 18.711 1.00 0.00 H ATOM 365 HA ASN A 24 8.550 5.457 17.773 1.00 0.00 H ATOM 366 1HB ASN A 24 9.029 4.224 19.942 1.00 0.00 H ATOM 367 2HB ASN A 24 8.855 2.733 19.027 1.00 0.00 H ATOM 368 1HD2 ASN A 24 12.271 2.905 18.424 1.00 0.00 H ATOM 369 2HD2 ASN A 24 10.951 2.075 19.177 1.00 0.00 H ATOM 370 N LEU A 25 6.950 4.017 15.945 1.00 0.00 N ATOM 371 CA LEU A 25 6.691 3.337 14.682 1.00 0.00 C ATOM 372 C LEU A 25 6.953 4.258 13.497 1.00 0.00 C ATOM 373 O LEU A 25 6.310 5.298 13.352 1.00 0.00 O ATOM 374 CB LEU A 25 5.241 2.836 14.638 1.00 0.00 C ATOM 375 CG LEU A 25 4.813 2.152 13.333 1.00 0.00 C ATOM 376 CD1 LEU A 25 5.607 0.866 13.150 1.00 0.00 C ATOM 377 CD2 LEU A 25 3.319 1.872 13.373 1.00 0.00 C ATOM 378 H LEU A 25 6.332 4.759 16.241 1.00 0.00 H ATOM 379 HA LEU A 25 7.355 2.476 14.609 1.00 0.00 H ATOM 380 1HB LEU A 25 5.095 2.124 15.448 1.00 0.00 H ATOM 381 2HB LEU A 25 4.576 3.684 14.801 1.00 0.00 H ATOM 382 HG LEU A 25 5.038 2.805 12.489 1.00 0.00 H ATOM 383 1HD1 LEU A 25 5.303 0.379 12.223 1.00 0.00 H ATOM 384 2HD1 LEU A 25 6.671 1.097 13.105 1.00 0.00 H ATOM 385 3HD1 LEU A 25 5.415 0.198 13.989 1.00 0.00 H ATOM 386 1HD2 LEU A 25 3.014 1.386 12.446 1.00 0.00 H ATOM 387 2HD2 LEU A 25 3.093 1.218 14.216 1.00 0.00 H ATOM 388 3HD2 LEU A 25 2.775 2.810 13.487 1.00 0.00 H ATOM 389 N HIS A 26 7.901 3.869 12.652 1.00 0.00 N ATOM 390 CA HIS A 26 8.240 4.651 11.468 1.00 0.00 C ATOM 391 C HIS A 26 7.256 4.390 10.335 1.00 0.00 C ATOM 392 O HIS A 26 7.023 3.242 9.956 1.00 0.00 O ATOM 393 CB HIS A 26 9.664 4.333 10.999 1.00 0.00 C ATOM 394 CG HIS A 26 10.129 5.193 9.866 1.00 0.00 C ATOM 395 ND1 HIS A 26 9.758 4.965 8.557 1.00 0.00 N ATOM 396 CD2 HIS A 26 10.936 6.280 9.844 1.00 0.00 C ATOM 397 CE1 HIS A 26 10.317 5.876 7.779 1.00 0.00 C ATOM 398 NE2 HIS A 26 11.036 6.685 8.536 1.00 0.00 N ATOM 399 H HIS A 26 8.400 3.009 12.833 1.00 0.00 H ATOM 400 HA HIS A 26 8.200 5.709 11.729 1.00 0.00 H ATOM 401 1HB HIS A 26 10.358 4.459 11.831 1.00 0.00 H ATOM 402 2HB HIS A 26 9.718 3.292 10.682 1.00 0.00 H ATOM 403 HD1 HIS A 26 9.104 4.278 8.239 1.00 0.00 H ATOM 404 HD2 HIS A 26 11.464 6.826 10.626 1.00 0.00 H ATOM 405 HE1 HIS A 26 10.144 5.868 6.703 1.00 0.00 H ATOM 406 N LEU A 27 6.682 5.461 9.798 1.00 0.00 N ATOM 407 CA LEU A 27 5.689 5.347 8.736 1.00 0.00 C ATOM 408 C LEU A 27 6.040 6.241 7.555 1.00 0.00 C ATOM 409 O LEU A 27 6.725 7.253 7.712 1.00 0.00 O ATOM 410 CB LEU A 27 4.299 5.716 9.270 1.00 0.00 C ATOM 411 CG LEU A 27 3.779 4.850 10.424 1.00 0.00 C ATOM 412 CD1 LEU A 27 2.533 5.492 11.019 1.00 0.00 C ATOM 413 CD2 LEU A 27 3.481 3.448 9.914 1.00 0.00 C ATOM 414 H LEU A 27 6.940 6.377 10.133 1.00 0.00 H ATOM 415 HA LEU A 27 5.664 4.311 8.396 1.00 0.00 H ATOM 416 1HB LEU A 27 4.322 6.748 9.614 1.00 0.00 H ATOM 417 2HB LEU A 27 3.583 5.643 8.452 1.00 0.00 H ATOM 418 HG LEU A 27 4.534 4.798 11.209 1.00 0.00 H ATOM 419 1HD1 LEU A 27 2.163 4.877 11.840 1.00 0.00 H ATOM 420 2HD1 LEU A 27 2.779 6.486 11.394 1.00 0.00 H ATOM 421 3HD1 LEU A 27 1.764 5.573 10.252 1.00 0.00 H ATOM 422 1HD2 LEU A 27 3.111 2.833 10.735 1.00 0.00 H ATOM 423 2HD2 LEU A 27 2.725 3.499 9.130 1.00 0.00 H ATOM 424 3HD2 LEU A 27 4.392 3.006 9.511 1.00 0.00 H ATOM 425 N ILE A 28 5.568 5.864 6.372 1.00 0.00 N ATOM 426 CA ILE A 28 5.536 6.774 5.233 1.00 0.00 C ATOM 427 C ILE A 28 4.109 7.021 4.764 1.00 0.00 C ATOM 428 O ILE A 28 3.362 6.079 4.494 1.00 0.00 O ATOM 429 CB ILE A 28 6.373 6.221 4.065 1.00 0.00 C ATOM 430 CG1 ILE A 28 7.827 6.017 4.499 1.00 0.00 C ATOM 431 CG2 ILE A 28 6.297 7.155 2.868 1.00 0.00 C ATOM 432 CD1 ILE A 28 8.643 5.192 3.530 1.00 0.00 C ATOM 433 H ILE A 28 5.220 4.922 6.258 1.00 0.00 H ATOM 434 HA ILE A 28 5.974 7.726 5.539 1.00 0.00 H ATOM 435 HB ILE A 28 5.990 5.242 3.775 1.00 0.00 H ATOM 436 1HG1 ILE A 28 8.311 6.986 4.614 1.00 0.00 H ATOM 437 2HG1 ILE A 28 7.851 5.523 5.471 1.00 0.00 H ATOM 438 1HG2 ILE A 28 6.894 6.749 2.051 1.00 0.00 H ATOM 439 2HG2 ILE A 28 5.261 7.251 2.546 1.00 0.00 H ATOM 440 3HG2 ILE A 28 6.683 8.136 3.146 1.00 0.00 H ATOM 441 1HD1 ILE A 28 9.661 5.091 3.907 1.00 0.00 H ATOM 442 2HD1 ILE A 28 8.195 4.203 3.427 1.00 0.00 H ATOM 443 3HD1 ILE A 28 8.663 5.685 2.560 1.00 0.00 H ATOM 444 N TRP A 29 3.734 8.292 4.668 1.00 0.00 N ATOM 445 CA TRP A 29 2.361 8.664 4.352 1.00 0.00 C ATOM 446 C TRP A 29 2.315 9.900 3.462 1.00 0.00 C ATOM 447 O TRP A 29 3.251 10.700 3.446 1.00 0.00 O ATOM 448 CB TRP A 29 1.570 8.925 5.635 1.00 0.00 C ATOM 449 CG TRP A 29 2.069 10.102 6.416 1.00 0.00 C ATOM 450 CD1 TRP A 29 1.610 11.383 6.342 1.00 0.00 C ATOM 451 CD2 TRP A 29 3.132 10.113 7.400 1.00 0.00 C ATOM 452 NE1 TRP A 29 2.311 12.187 7.207 1.00 0.00 N ATOM 453 CE2 TRP A 29 3.245 11.426 7.864 1.00 0.00 C ATOM 454 CE3 TRP A 29 3.982 9.128 7.918 1.00 0.00 C ATOM 455 CZ2 TRP A 29 4.178 11.788 8.822 1.00 0.00 C ATOM 456 CZ3 TRP A 29 4.917 9.491 8.880 1.00 0.00 C ATOM 457 CH2 TRP A 29 5.011 10.787 9.320 1.00 0.00 C ATOM 458 H TRP A 29 4.418 9.019 4.818 1.00 0.00 H ATOM 459 HA TRP A 29 1.891 7.834 3.821 1.00 0.00 H ATOM 460 1HB TRP A 29 0.522 9.096 5.388 1.00 0.00 H ATOM 461 2HB TRP A 29 1.615 8.044 6.276 1.00 0.00 H ATOM 462 HD1 TRP A 29 0.805 11.720 5.692 1.00 0.00 H ATOM 463 HE1 TRP A 29 2.164 13.178 7.338 1.00 0.00 H ATOM 464 HE3 TRP A 29 3.909 8.097 7.573 1.00 0.00 H ATOM 465 HZ2 TRP A 29 4.269 12.812 9.185 1.00 0.00 H ATOM 466 HZ3 TRP A 29 5.576 8.718 9.277 1.00 0.00 H ATOM 467 HH2 TRP A 29 5.756 11.036 10.077 1.00 0.00 H ATOM 468 N VAL A 30 1.220 10.052 2.724 1.00 0.00 N ATOM 469 CA VAL A 30 0.980 11.267 1.954 1.00 0.00 C ATOM 470 C VAL A 30 0.137 12.261 2.743 1.00 0.00 C ATOM 471 O VAL A 30 0.311 13.473 2.617 1.00 0.00 O ATOM 472 CB VAL A 30 0.266 10.928 0.632 1.00 0.00 C ATOM 473 CG1 VAL A 30 0.003 12.194 -0.171 1.00 0.00 C ATOM 474 CG2 VAL A 30 1.102 9.944 -0.171 1.00 0.00 C ATOM 475 H VAL A 30 0.539 9.308 2.696 1.00 0.00 H ATOM 476 HA VAL A 30 1.941 11.727 1.724 1.00 0.00 H ATOM 477 HB VAL A 30 -0.704 10.484 0.856 1.00 0.00 H ATOM 478 1HG1 VAL A 30 -0.502 11.936 -1.102 1.00 0.00 H ATOM 479 2HG1 VAL A 30 -0.627 12.868 0.408 1.00 0.00 H ATOM 480 3HG1 VAL A 30 0.950 12.684 -0.397 1.00 0.00 H ATOM 481 1HG2 VAL A 30 0.591 9.708 -1.104 1.00 0.00 H ATOM 482 2HG2 VAL A 30 2.074 10.386 -0.391 1.00 0.00 H ATOM 483 3HG2 VAL A 30 1.242 9.030 0.406 1.00 0.00 H ATOM 484 N ASN A 31 -0.776 11.740 3.556 1.00 0.00 N ATOM 485 CA ASN A 31 -1.638 12.582 4.377 1.00 0.00 C ATOM 486 C ASN A 31 -1.931 11.925 5.721 1.00 0.00 C ATOM 487 O ASN A 31 -1.487 10.807 5.986 1.00 0.00 O ATOM 488 CB ASN A 31 -2.929 12.898 3.645 1.00 0.00 C ATOM 489 CG ASN A 31 -3.711 11.664 3.291 1.00 0.00 C ATOM 490 OD1 ASN A 31 -3.801 10.722 4.087 1.00 0.00 O ATOM 491 ND2 ASN A 31 -4.277 11.649 2.111 1.00 0.00 N ATOM 492 H ASN A 31 -0.876 10.737 3.606 1.00 0.00 H ATOM 493 HA ASN A 31 -1.129 13.530 4.554 1.00 0.00 H ATOM 494 1HB ASN A 31 -3.552 13.543 4.266 1.00 0.00 H ATOM 495 2HB ASN A 31 -2.703 13.446 2.729 1.00 0.00 H ATOM 496 1HD2 ASN A 31 -4.810 10.853 1.822 1.00 0.00 H ATOM 497 2HD2 ASN A 31 -4.177 12.433 1.499 1.00 0.00 H ATOM 498 N GLU A 32 -2.679 12.626 6.566 1.00 0.00 N ATOM 499 CA GLU A 32 -2.875 12.202 7.947 1.00 0.00 C ATOM 500 C GLU A 32 -3.657 10.896 8.017 1.00 0.00 C ATOM 501 O GLU A 32 -3.361 10.029 8.838 1.00 0.00 O ATOM 502 CB GLU A 32 -3.606 13.289 8.739 1.00 0.00 C ATOM 503 CG GLU A 32 -2.829 14.589 8.888 1.00 0.00 C ATOM 504 CD GLU A 32 -2.874 15.443 7.652 1.00 0.00 C ATOM 505 OE1 GLU A 32 -3.548 15.071 6.721 1.00 0.00 O ATOM 506 OE2 GLU A 32 -2.234 16.468 7.638 1.00 0.00 O ATOM 507 H GLU A 32 -3.123 13.473 6.243 1.00 0.00 H ATOM 508 HA GLU A 32 -1.897 12.050 8.405 1.00 0.00 H ATOM 509 1HB GLU A 32 -4.553 13.519 8.252 1.00 0.00 H ATOM 510 2HB GLU A 32 -3.834 12.919 9.739 1.00 0.00 H ATOM 511 1HG GLU A 32 -3.243 15.155 9.722 1.00 0.00 H ATOM 512 2HG GLU A 32 -1.791 14.355 9.124 1.00 0.00 H ATOM 513 N GLU A 33 -4.655 10.763 7.151 1.00 0.00 N ATOM 514 CA GLU A 33 -5.515 9.586 7.148 1.00 0.00 C ATOM 515 C GLU A 33 -4.721 8.324 6.841 1.00 0.00 C ATOM 516 O GLU A 33 -4.961 7.269 7.428 1.00 0.00 O ATOM 517 CB GLU A 33 -6.644 9.752 6.128 1.00 0.00 C ATOM 518 CG GLU A 33 -7.677 10.806 6.498 1.00 0.00 C ATOM 519 CD GLU A 33 -8.755 10.958 5.462 1.00 0.00 C ATOM 520 OE1 GLU A 33 -8.672 10.311 4.446 1.00 0.00 O ATOM 521 OE2 GLU A 33 -9.664 11.723 5.687 1.00 0.00 O ATOM 522 H GLU A 33 -4.822 11.496 6.476 1.00 0.00 H ATOM 523 HA GLU A 33 -5.964 9.484 8.137 1.00 0.00 H ATOM 524 1HB GLU A 33 -6.221 10.023 5.160 1.00 0.00 H ATOM 525 2HB GLU A 33 -7.164 8.803 6.003 1.00 0.00 H ATOM 526 1HG GLU A 33 -8.137 10.531 7.447 1.00 0.00 H ATOM 527 2HG GLU A 33 -7.173 11.762 6.634 1.00 0.00 H ATOM 528 N ILE A 34 -3.772 8.438 5.918 1.00 0.00 N ATOM 529 CA ILE A 34 -2.920 7.313 5.550 1.00 0.00 C ATOM 530 C ILE A 34 -2.051 6.875 6.722 1.00 0.00 C ATOM 531 O ILE A 34 -1.916 5.682 6.994 1.00 0.00 O ATOM 532 CB ILE A 34 -2.024 7.670 4.351 1.00 0.00 C ATOM 533 CG1 ILE A 34 -2.861 7.790 3.075 1.00 0.00 C ATOM 534 CG2 ILE A 34 -0.929 6.629 4.176 1.00 0.00 C ATOM 535 CD1 ILE A 34 -2.151 8.496 1.942 1.00 0.00 C ATOM 536 H ILE A 34 -3.636 9.327 5.459 1.00 0.00 H ATOM 537 HA ILE A 34 -3.558 6.478 5.257 1.00 0.00 H ATOM 538 HB ILE A 34 -1.563 8.643 4.518 1.00 0.00 H ATOM 539 1HG1 ILE A 34 -3.147 6.796 2.733 1.00 0.00 H ATOM 540 2HG1 ILE A 34 -3.780 8.336 3.293 1.00 0.00 H ATOM 541 1HG2 ILE A 34 -0.305 6.896 3.324 1.00 0.00 H ATOM 542 2HG2 ILE A 34 -0.316 6.591 5.076 1.00 0.00 H ATOM 543 3HG2 ILE A 34 -1.380 5.652 4.003 1.00 0.00 H ATOM 544 1HD1 ILE A 34 -2.808 8.542 1.074 1.00 0.00 H ATOM 545 2HD1 ILE A 34 -1.887 9.507 2.252 1.00 0.00 H ATOM 546 3HD1 ILE A 34 -1.247 7.948 1.683 1.00 0.00 H ATOM 547 N ALA A 35 -1.464 7.846 7.412 1.00 0.00 N ATOM 548 CA ALA A 35 -0.622 7.563 8.568 1.00 0.00 C ATOM 549 C ALA A 35 -1.379 6.758 9.617 1.00 0.00 C ATOM 550 O ALA A 35 -0.833 5.831 10.215 1.00 0.00 O ATOM 551 CB ALA A 35 -0.099 8.858 9.172 1.00 0.00 C ATOM 552 H ALA A 35 -1.603 8.805 7.128 1.00 0.00 H ATOM 553 HA ALA A 35 0.239 6.982 8.236 1.00 0.00 H ATOM 554 1HB ALA A 35 0.528 8.630 10.035 1.00 0.00 H ATOM 555 2HB ALA A 35 0.490 9.395 8.428 1.00 0.00 H ATOM 556 3HB ALA A 35 -0.937 9.477 9.487 1.00 0.00 H ATOM 557 N GLU A 36 -2.640 7.118 9.834 1.00 0.00 N ATOM 558 CA GLU A 36 -3.482 6.413 10.793 1.00 0.00 C ATOM 559 C GLU A 36 -3.823 5.011 10.301 1.00 0.00 C ATOM 560 O GLU A 36 -3.789 4.049 11.068 1.00 0.00 O ATOM 561 CB GLU A 36 -4.769 7.199 11.051 1.00 0.00 C ATOM 562 CG GLU A 36 -4.569 8.496 11.823 1.00 0.00 C ATOM 563 CD GLU A 36 -5.849 9.256 12.032 1.00 0.00 C ATOM 564 OE1 GLU A 36 -6.854 8.848 11.500 1.00 0.00 O ATOM 565 OE2 GLU A 36 -5.822 10.246 12.725 1.00 0.00 O ATOM 566 H GLU A 36 -3.023 7.899 9.323 1.00 0.00 H ATOM 567 HA GLU A 36 -2.940 6.330 11.736 1.00 0.00 H ATOM 568 1HB GLU A 36 -5.243 7.446 10.101 1.00 0.00 H ATOM 569 2HB GLU A 36 -5.468 6.580 11.614 1.00 0.00 H ATOM 570 1HG GLU A 36 -4.134 8.265 12.795 1.00 0.00 H ATOM 571 2HG GLU A 36 -3.864 9.124 11.280 1.00 0.00 H ATOM 572 N LYS A 37 -4.149 4.903 9.018 1.00 0.00 N ATOM 573 CA LYS A 37 -4.506 3.620 8.424 1.00 0.00 C ATOM 574 C LYS A 37 -3.342 2.639 8.490 1.00 0.00 C ATOM 575 O LYS A 37 -3.524 1.466 8.813 1.00 0.00 O ATOM 576 CB LYS A 37 -4.954 3.807 6.974 1.00 0.00 C ATOM 577 CG LYS A 37 -6.333 4.433 6.817 1.00 0.00 C ATOM 578 CD LYS A 37 -6.654 4.705 5.355 1.00 0.00 C ATOM 579 CE LYS A 37 -8.039 5.314 5.196 1.00 0.00 C ATOM 580 NZ LYS A 37 -8.329 5.677 3.782 1.00 0.00 N ATOM 581 H LYS A 37 -4.150 5.731 8.439 1.00 0.00 H ATOM 582 HA LYS A 37 -5.347 3.203 8.980 1.00 0.00 H ATOM 583 1HB LYS A 37 -4.238 4.442 6.451 1.00 0.00 H ATOM 584 2HB LYS A 37 -4.965 2.841 6.469 1.00 0.00 H ATOM 585 1HG LYS A 37 -7.087 3.759 7.227 1.00 0.00 H ATOM 586 2HG LYS A 37 -6.372 5.371 7.370 1.00 0.00 H ATOM 587 1HD LYS A 37 -5.914 5.392 4.942 1.00 0.00 H ATOM 588 2HD LYS A 37 -6.612 3.772 4.794 1.00 0.00 H ATOM 589 1HE LYS A 37 -8.791 4.603 5.537 1.00 0.00 H ATOM 590 2HE LYS A 37 -8.115 6.211 5.810 1.00 0.00 H ATOM 591 1HZ LYS A 37 -9.254 6.077 3.719 1.00 0.00 H ATOM 592 2HZ LYS A 37 -7.648 6.351 3.461 1.00 0.00 H ATOM 593 3HZ LYS A 37 -8.280 4.849 3.205 1.00 0.00 H ATOM 594 N LEU A 38 -2.146 3.128 8.183 1.00 0.00 N ATOM 595 CA LEU A 38 -0.949 2.295 8.203 1.00 0.00 C ATOM 596 C LEU A 38 -0.655 1.788 9.610 1.00 0.00 C ATOM 597 O LEU A 38 -0.289 0.628 9.798 1.00 0.00 O ATOM 598 CB LEU A 38 0.255 3.084 7.675 1.00 0.00 C ATOM 599 CG LEU A 38 0.223 3.424 6.179 1.00 0.00 C ATOM 600 CD1 LEU A 38 1.316 4.437 5.865 1.00 0.00 C ATOM 601 CD2 LEU A 38 0.406 2.152 5.365 1.00 0.00 C ATOM 602 H LEU A 38 -2.062 4.102 7.928 1.00 0.00 H ATOM 603 HA LEU A 38 -1.114 1.436 7.550 1.00 0.00 H ATOM 604 1HB LEU A 38 0.325 4.021 8.226 1.00 0.00 H ATOM 605 2HB LEU A 38 1.160 2.506 7.864 1.00 0.00 H ATOM 606 HG LEU A 38 -0.736 3.880 5.930 1.00 0.00 H ATOM 607 1HD1 LEU A 38 1.293 4.679 4.802 1.00 0.00 H ATOM 608 2HD1 LEU A 38 1.149 5.344 6.446 1.00 0.00 H ATOM 609 3HD1 LEU A 38 2.287 4.015 6.120 1.00 0.00 H ATOM 610 1HD2 LEU A 38 0.383 2.394 4.302 1.00 0.00 H ATOM 611 2HD2 LEU A 38 1.365 1.697 5.613 1.00 0.00 H ATOM 612 3HD2 LEU A 38 -0.398 1.453 5.596 1.00 0.00 H ATOM 613 N TRP A 39 -0.818 2.664 10.595 1.00 0.00 N ATOM 614 CA TRP A 39 -0.644 2.288 11.993 1.00 0.00 C ATOM 615 C TRP A 39 -1.626 1.193 12.393 1.00 0.00 C ATOM 616 O TRP A 39 -1.244 0.204 13.020 1.00 0.00 O ATOM 617 CB TRP A 39 -0.833 3.505 12.901 1.00 0.00 C ATOM 618 CG TRP A 39 -0.920 3.157 14.356 1.00 0.00 C ATOM 619 CD1 TRP A 39 0.105 2.766 15.164 1.00 0.00 C ATOM 620 CD2 TRP A 39 -2.105 3.170 15.189 1.00 0.00 C ATOM 621 NE1 TRP A 39 -0.357 2.533 16.436 1.00 0.00 N ATOM 622 CE2 TRP A 39 -1.707 2.777 16.470 1.00 0.00 C ATOM 623 CE3 TRP A 39 -3.450 3.478 14.954 1.00 0.00 C ATOM 624 CZ2 TRP A 39 -2.606 2.680 17.520 1.00 0.00 C ATOM 625 CZ3 TRP A 39 -4.352 3.383 16.008 1.00 0.00 C ATOM 626 CH2 TRP A 39 -3.939 2.995 17.258 1.00 0.00 C ATOM 627 H TRP A 39 -1.069 3.617 10.370 1.00 0.00 H ATOM 628 HA TRP A 39 0.371 1.913 12.126 1.00 0.00 H ATOM 629 1HB TRP A 39 -0.000 4.195 12.762 1.00 0.00 H ATOM 630 2HB TRP A 39 -1.745 4.031 12.619 1.00 0.00 H ATOM 631 HD1 TRP A 39 1.140 2.654 14.846 1.00 0.00 H ATOM 632 HE1 TRP A 39 0.204 2.232 17.219 1.00 0.00 H ATOM 633 HE3 TRP A 39 -3.783 3.790 13.965 1.00 0.00 H ATOM 634 HZ2 TRP A 39 -2.298 2.374 18.520 1.00 0.00 H ATOM 635 HZ3 TRP A 39 -5.398 3.624 15.817 1.00 0.00 H ATOM 636 HH2 TRP A 39 -4.673 2.931 18.062 1.00 0.00 H ATOM 637 N LYS A 40 -2.890 1.376 12.028 1.00 0.00 N ATOM 638 CA LYS A 40 -3.932 0.415 12.369 1.00 0.00 C ATOM 639 C LYS A 40 -3.625 -0.960 11.790 1.00 0.00 C ATOM 640 O LYS A 40 -3.853 -1.982 12.436 1.00 0.00 O ATOM 641 CB LYS A 40 -5.294 0.902 11.872 1.00 0.00 C ATOM 642 CG LYS A 40 -5.865 2.079 12.653 1.00 0.00 C ATOM 643 CD LYS A 40 -7.190 2.540 12.067 1.00 0.00 C ATOM 644 CE LYS A 40 -7.732 3.753 12.808 1.00 0.00 C ATOM 645 NZ LYS A 40 -8.998 4.253 12.207 1.00 0.00 N ATOM 646 H LYS A 40 -3.135 2.202 11.503 1.00 0.00 H ATOM 647 HA LYS A 40 -3.985 0.332 13.456 1.00 0.00 H ATOM 648 1HB LYS A 40 -5.214 1.202 10.827 1.00 0.00 H ATOM 649 2HB LYS A 40 -6.014 0.085 11.924 1.00 0.00 H ATOM 650 1HG LYS A 40 -6.019 1.785 13.692 1.00 0.00 H ATOM 651 2HG LYS A 40 -5.158 2.908 12.630 1.00 0.00 H ATOM 652 1HD LYS A 40 -7.053 2.799 11.016 1.00 0.00 H ATOM 653 2HD LYS A 40 -7.918 1.732 12.132 1.00 0.00 H ATOM 654 1HE LYS A 40 -7.917 3.490 13.849 1.00 0.00 H ATOM 655 2HE LYS A 40 -6.993 4.554 12.785 1.00 0.00 H ATOM 656 1HZ LYS A 40 -9.324 5.056 12.727 1.00 0.00 H ATOM 657 2HZ LYS A 40 -8.834 4.518 11.246 1.00 0.00 H ATOM 658 3HZ LYS A 40 -9.698 3.526 12.241 1.00 0.00 H ATOM 659 N GLU A 41 -3.105 -0.977 10.567 1.00 0.00 N ATOM 660 CA GLU A 41 -2.784 -2.228 9.889 1.00 0.00 C ATOM 661 C GLU A 41 -1.631 -2.947 10.577 1.00 0.00 C ATOM 662 O GLU A 41 -1.630 -4.172 10.691 1.00 0.00 O ATOM 663 CB GLU A 41 -2.432 -1.964 8.423 1.00 0.00 C ATOM 664 CG GLU A 41 -3.617 -1.571 7.552 1.00 0.00 C ATOM 665 CD GLU A 41 -3.216 -1.202 6.151 1.00 0.00 C ATOM 666 OE1 GLU A 41 -2.039 -1.141 5.886 1.00 0.00 O ATOM 667 OE2 GLU A 41 -4.088 -0.981 5.344 1.00 0.00 O ATOM 668 H GLU A 41 -2.929 -0.102 10.094 1.00 0.00 H ATOM 669 HA GLU A 41 -3.664 -2.872 9.916 1.00 0.00 H ATOM 670 1HB GLU A 41 -1.693 -1.165 8.364 1.00 0.00 H ATOM 671 2HB GLU A 41 -1.982 -2.858 7.991 1.00 0.00 H ATOM 672 1HG GLU A 41 -4.316 -2.405 7.510 1.00 0.00 H ATOM 673 2HG GLU A 41 -4.128 -0.726 8.013 1.00 0.00 H ATOM 674 N LEU A 42 -0.650 -2.177 11.036 1.00 0.00 N ATOM 675 CA LEU A 42 0.557 -2.744 11.625 1.00 0.00 C ATOM 676 C LEU A 42 0.356 -3.053 13.102 1.00 0.00 C ATOM 677 O LEU A 42 0.970 -3.972 13.644 1.00 0.00 O ATOM 678 CB LEU A 42 1.736 -1.777 11.455 1.00 0.00 C ATOM 679 CG LEU A 42 2.182 -1.520 10.010 1.00 0.00 C ATOM 680 CD1 LEU A 42 3.149 -0.344 9.978 1.00 0.00 C ATOM 681 CD2 LEU A 42 2.830 -2.777 9.448 1.00 0.00 C ATOM 682 H LEU A 42 -0.742 -1.174 10.975 1.00 0.00 H ATOM 683 HA LEU A 42 0.794 -3.672 11.103 1.00 0.00 H ATOM 684 1HB LEU A 42 1.464 -0.818 11.893 1.00 0.00 H ATOM 685 2HB LEU A 42 2.592 -2.173 12.001 1.00 0.00 H ATOM 686 HG LEU A 42 1.316 -1.256 9.403 1.00 0.00 H ATOM 687 1HD1 LEU A 42 3.466 -0.162 8.951 1.00 0.00 H ATOM 688 2HD1 LEU A 42 2.653 0.545 10.367 1.00 0.00 H ATOM 689 3HD1 LEU A 42 4.020 -0.573 10.591 1.00 0.00 H ATOM 690 1HD2 LEU A 42 3.147 -2.595 8.420 1.00 0.00 H ATOM 691 2HD2 LEU A 42 3.698 -3.041 10.053 1.00 0.00 H ATOM 692 3HD2 LEU A 42 2.112 -3.596 9.466 1.00 0.00 H ATOM 693 N HIS A 43 -0.507 -2.279 13.752 1.00 0.00 N ATOM 694 CA HIS A 43 -0.775 -2.455 15.174 1.00 0.00 C ATOM 695 C HIS A 43 -1.468 -3.784 15.444 1.00 0.00 C ATOM 696 O HIS A 43 -2.207 -4.292 14.601 1.00 0.00 O ATOM 697 OXT HIS A 43 -1.297 -4.348 16.489 1.00 0.00 O ATOM 698 CB HIS A 43 -1.636 -1.306 15.709 1.00 0.00 C ATOM 699 CG HIS A 43 -1.822 -1.334 17.194 1.00 0.00 C ATOM 700 ND1 HIS A 43 -2.596 -2.284 17.828 1.00 0.00 N ATOM 701 CD2 HIS A 43 -1.337 -0.531 18.170 1.00 0.00 C ATOM 702 CE1 HIS A 43 -2.577 -2.063 19.132 1.00 0.00 C ATOM 703 NE2 HIS A 43 -1.821 -1.006 19.364 1.00 0.00 N ATOM 704 H HIS A 43 -0.991 -1.550 13.246 1.00 0.00 H ATOM 705 HA HIS A 43 0.175 -2.440 15.710 1.00 0.00 H ATOM 706 1HB HIS A 43 -1.179 -0.353 15.441 1.00 0.00 H ATOM 707 2HB HIS A 43 -2.619 -1.340 15.241 1.00 0.00 H ATOM 708 HD1 HIS A 43 -3.038 -3.071 17.397 1.00 0.00 H ATOM 709 HD2 HIS A 43 -0.687 0.344 18.153 1.00 0.00 H ATOM 710 HE1 HIS A 43 -3.131 -2.710 19.812 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE start14_0624_0002.pdb label fa_atr fa_rep fa_sol fa_intra_atr_xover4 fa_intra_rep_xover4 fa_intra_sol_xover4 lk_ball lk_ball_iso lk_ball_bridge lk_ball_bridge_uncpl fa_elec fa_intra_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun_dev fa_dun_rot fa_dun_semi p_aa_pp hxl_tors ref rama_prepro gen_bonded total weights 1 0.55 1 1 0.55 1 0.92 -0.38 -0.33 -0.33 1 1 1.25 1 1 1 1 1.25 0.48 0.69 0.76 0.78 0.61 1 1 0.5 1 NA pose -225.745 20.5343 172.357 -16.8421 6.47578 15.3296 83.6207 -95.8036 -0.49288 -3.33524 -62.4324 -16.9798 0 -22.2916 -5.77458 -3.41341 -1.22784 0 2.52169 3.03896 15.9388 49.4472 -13.7593 0.60093 -19.1426 -1.97783 0 -119.352 ASP:NtermProteinFull_1 -2.75645 0.1266 3.05574 -0.12785 0.01052 0.3909 1.42248 -1.33595 -0 -0 -1.17257 -1.39809 0 0 0 0 0 0 0.10882 0.07279 0 2.41459 0 0 -2.3716 0 0 -1.56008 GLU_2 -5.68214 0.3033 6.06363 -0.21461 0.03561 0.30577 2.43497 -2.68375 -0.00735 -0.07617 -3.02199 -0.55115 0 0 0 -0.55298 0 0 -0.05253 0.02888 0 3.18936 -0.28285 0 -2.7348 -0.22232 0 -3.7211 GLU_3 -3.82992 0.23452 4.71464 -0.45945 0.23214 1.43837 1.55228 -2.13223 -0.02855 -0.14804 -1.52271 -2.92171 0 0 0 0 0 0 -0.04579 0.03511 0 4.01556 -0.24893 0 -2.7348 -0.41481 0 -2.2643 GLU_4 -5.35271 0.35019 7.18238 -0.4541 0.0777 0.91683 2.83362 -2.97129 -0.02855 -0.14804 -3.02299 -0.43496 0 0 0 0 -0.61392 0 0.07558 0.02171 0 3.2734 -0.2598 0 -2.7348 -0.35737 0 -1.64711 LEU_5 -6.45339 0.4447 4.52148 -0.49633 0.37918 0.11709 2.44975 -2.77133 -0.01907 -0.164 -1.92648 0.24008 0 0 0 0 0 0 0.07296 0.2274 0.34693 0 -0.27783 0 0.18072 -0.16719 0 -3.29533 ALA_6 -5.18787 0.3582 3.82576 -0.0213 0 0 2.81736 -2.64433 -0 -0 -1.88932 -0.34746 0 0 0 0 0 0 0.00961 0 0 0 -0.11637 0 1.8394 0.06396 0 -1.29235 LYS_7 -6.44262 0.40416 8.4211 -0.46566 0.16238 0.23949 3.31942 -3.59235 -0.0199 -0.1268 -4.19266 0.11562 0 0 0 0 -0.61392 0 0.23455 0.14889 2.58429 0 -0.00088 0 -1.5107 -0.04472 0 -1.38029 GLU_8 -6.57047 0.46369 7.69263 -0.21492 0.02754 0.30013 3.03081 -3.47662 -0.01907 -0.164 -2.49372 -0.59842 0 0 0 0 0 0 0.09461 0.03453 0 3.02415 -0.22354 0 -2.7348 -0.28114 0 -2.10859 ALA_9 -7.49862 0.98523 5.20047 -0.0217 0 0 4.52415 -3.5777 -0 -0 -3.45363 -0.35368 0 0 0 0 0 0 -0.04261 0 0 0 -0.1924 0 1.8394 -0.20522 0 -2.7963 GLU_10 -4.31652 0.29886 5.32139 -0.21534 0.03312 0.30889 2.10657 -2.47746 -0.0199 -0.1268 -0.90972 -0.5954 0 0 0 0 0 0 0.09362 0.11752 0 3.01176 -0.20567 0 -2.7348 -0.1822 0 -0.49208 ARG_11 -4.10533 0.27144 4.84427 -0.78144 0.19271 0.51096 1.47399 -2.18099 -0 -0 -0.61746 0.38894 0 0 0 0 0 0 -0.03406 0.13423 1.52774 0 -0.1265 0 -1.2888 -0.25473 0 -0.04501 ARG_12 -6.33752 0.36866 5.45349 -0.67262 0.10588 0.4604 2.4185 -2.72573 -0 -0 -1.04142 0.49724 0 0 0 0 0 0 0.08294 0.06482 1.54381 0 -0.08791 0 -1.2888 -0.34115 0 -1.49941 GLY_13 -1.98554 0.18077 2.59245 -5e-05 0 0 1.39216 -1.27355 -0.00672 -0.02146 -0.74297 -0.39328 0 0 0 0 0 0 -0.17272 0 0 0 -1.40373 0 0.83697 -0.33992 0 -1.33758 ILE_14 -5.39205 0.58254 2.72679 -0.48278 0.52291 0.101 1.97538 -1.91767 -0 -0 -0.93705 0.14948 0 0 0 0 0 0 -0.05425 0.12515 0.5251 0 -0.72776 0 0.73287 -0.41064 0 -2.48098 LYS_15 -3.61712 0.22222 1.95314 -0.36806 0.04585 0.15997 0.49473 -1.14819 -0.00846 -0.04009 0.00295 0.18547 0 0 0 0 0 0 -0.05505 0.13895 1.71333 0 0.0002 0 -1.5107 -0.49688 0 -2.32774 VAL_16 -4.6728 0.35164 0.12732 -0.27579 0.19633 0.05546 0.5844 -1.21368 -0 -0 -0.4374 0.00377 0 0 0 0 0 0 0.25878 0.01718 0.21074 0 -0.55662 0 1.9342 -0.42504 0 -3.84152 PHE_17 -6.60078 0.47745 4.08666 -0.58075 0.06277 0.29974 2.40602 -2.39355 -0.00031 -0.00094 -2.44191 0.17017 0 0 0 0 0 0 0.08091 0.01396 0 1.98426 -0.37446 0 1.0402 -0.4434 0 -2.21395 SER_18 -2.96635 0.17367 1.39612 -0.02889 0 0.06793 0.4145 -0.91223 -0 -0 -0.6586 -0.23379 0 0 0 0 0 0 -0.00696 0.00123 0.12637 0 -0.4666 0.60093 -0.77834 -0.38651 0 -3.65755 GLY_19 -3.20615 0.17966 3.35665 -0.00161 0 0 1.85306 -1.80172 -0.01004 -0.03412 -1.63736 -0.36397 0 0 0 0 0 0 0.0139 0 0 0 -1.54061 0 0.83697 0.08126 0 -2.27408 VAL_20 -4.06172 0.62432 0.99128 -0.27646 0.19657 0.05816 0.43247 -1.29582 -0 -0 -0.12736 -0.17895 0 0 0 0 0 0 -0.05367 0.00224 0.28778 0 -0.7426 0 1.9342 0.01552 0 -2.19406 ASP_21 -4.13598 0.64509 4.82593 -0.11093 0.02317 0.33446 2.47457 -2.33621 -0.03114 -0.18305 -3.0369 -1.3299 0 0 0 -0.57801 0 0 0.01308 0.01579 0 2.12632 -0.10195 0 -2.3716 -0.13594 0 -3.8932 PHE_22 -6.16741 1.00345 1.75738 -0.62583 0.04603 0.37557 0.87163 -1.49451 -0.01205 -0.08442 -1.88825 -0.36055 0 0 0 -0.57801 0 0 0.05281 0.00052 0 1.90832 0.24606 0 1.0402 0.40679 0 -3.50227 GLY_23 -1.33731 0.22011 1.51077 -0.0003 0 0 0.34079 -0.81669 -0.03498 -0.27193 0.452 -0.36501 0 0 0 0 0 0 -0.08269 0 0 0 -1.45206 0 0.83697 1.79233 0 0.792 ASN_24 -1.78061 0.30828 1.15149 -0.39604 0.09365 0.80467 0.15965 -0.81245 -0.02346 -0.15363 -0.13541 -0.64264 0 0 0 0 0 0 -0.01491 0.00713 0 1.99234 -0.73454 0 -0.93687 1.82086 0 0.7075 LEU_25 -5.90095 0.60815 3.20939 -0.6165 0.3808 0.17177 2.15827 -2.16677 -0 -0 -1.68738 0.29314 0 0 0 0 0 0 -0.00787 0.01695 0.71335 0 -0.29136 0 0.18072 0.34538 0 -2.59291 HIS_D_26 -5.02674 0.36015 3.45896 -0.59132 0.05835 0.53589 0.48551 -2.0657 -0.01692 -0.10681 -0.23517 -0.65535 0 0 0 0 0 0 -0.03848 0.00019 0 2.06625 0.06598 0 -0.45461 -0.03982 0 -2.19963 LEU_27 -8.13705 0.86311 3.51519 -0.45839 0.35279 0.07947 2.52983 -2.63379 -0 -0 -2.3348 0.05657 0 0 0 0 0 0 1.03986 0.04049 0.66283 0 0.13102 0 0.18072 -0.02753 0 -4.13969 ILE_28 -5.81263 0.53183 3.38737 -0.4819 0.5527 0.10337 1.46107 -1.90238 -0 -0 -1.68392 0.0269 0 0 0 -0.55298 0 0 0.1924 0.08466 0.35692 0 -0.77581 0 0.73287 -0.21345 0 -3.99299 TRP_29 -11.0729 1.20638 4.37501 -1.41819 0.15667 1.28213 2.22173 -3.53572 -0.00143 -0.01769 -1.74084 -0.52117 0 0 0 0 0 0 0.12803 0.03061 0 1.78304 -0.25788 0 1.6906 -0.20563 0 -5.89728 VAL_30 -6.08291 0.88519 0.41737 -0.31119 0.32487 0.07258 0.94978 -1.5233 -0 -0 0.80009 -0.46871 0 0 0 0 0 0 0.01104 0.21425 0.61353 0 -0.10821 0 1.9342 0.14767 0 -2.12374 ASN_31 -6.09446 0.46081 5.70795 -0.35771 0.15505 0.69668 2.80069 -2.87108 -0.00718 -0.091 -2.18389 -0.57752 0 0 0 -0.57571 0 0 0.55371 0.03028 0 1.60492 -0.09305 0 -0.93687 0.16674 0 -1.61164 GLU_32 -3.28494 0.17913 3.73289 -0.46731 0.29495 1.47554 1.57033 -1.80088 -0.02801 -0.1443 -1.13715 -2.93511 0 0 0 0 0 0 -0.04867 0.04325 0 4.00119 -0.27034 0 -2.7348 -0.15776 0 -1.712 GLU_33 -4.17929 0.28142 4.92397 -0.21596 0.02869 0.29978 1.95323 -2.19049 -0.07004 -0.43616 -1.47617 -0.59865 0 0 0 0 0 0 0.03764 0.01128 0 3.01932 -0.26746 0 -2.7348 -0.41754 0 -2.03122 ILE_34 -9.03035 1.2861 4.76774 -0.51393 0.56532 0.10264 3.6106 -3.13102 -0 -0 -1.46662 0.06654 0 0 0 -0.57571 0 0 -0.04038 0.33134 0.60119 0 -0.42411 0 0.73287 -0.0487 0 -3.16649 ALA_35 -5.87865 0.37425 3.44177 -0.0217 0 0 2.28925 -2.50733 -0.00718 -0.091 -1.68223 -0.36179 0 0 0 0 0 0 0.02169 0 0 0 -0.29354 0 1.8394 0.16696 0 -2.71009 GLU_36 -5.65211 0.47541 5.86568 -0.2126 0.02873 0.29469 2.70417 -2.75804 -0.01557 -0.15355 -2.10709 -0.58419 0 0 0 0 0 0 -0.0108 0.00834 0 3.11475 -0.19241 0 -2.7348 -0.08688 0 -2.01627 LYS_37 -5.5728 0.39746 6.45751 -0.30494 0.02678 0.13392 2.80949 -2.84093 -0.02645 -0.1383 -1.8749 -0.0131 0 0 0 0 0 0 -0.01245 0.19678 1.76036 0 0.02685 0 -1.5107 -0.13848 0 -0.62391 LEU_38 -7.88356 0.69805 5.19145 -0.5001 0.45646 0.11728 2.94698 -3.09361 -0.01925 -0.16426 -2.23953 0.25559 0 0 0 0 0 0 0.20728 0.10256 0.40133 0 -0.26341 0 0.18072 -0.00755 0 -3.61357 TRP_39 -9.91787 1.14307 5.27998 -1.2198 0.0503 0.53995 2.92892 -3.27157 -0.01205 -0.08442 -2.28877 -0.4318 0 0 0 0 0 0 -0.01844 0.37045 0 2.28044 -0.27363 0 1.6906 0.16452 0 -3.0701 LYS_40 -5.21346 0.43255 5.10076 -0.30765 0.02818 0.13874 1.84717 -2.35775 -0 -0 -0.65041 -0.00128 0 0 0 0 0 0 -0.04975 0.03513 1.69555 0 -0.0294 0 -1.5107 0.02196 0 -0.82035 GLU_41 -3.59286 0.24028 4.44577 -0.21527 0.03045 0.30666 1.57443 -1.99273 -0.01925 -0.16426 -0.43268 -0.60008 0 0 0 0 0 0 -0.00614 0.05903 0 3.03981 -0.28957 0 -2.7348 -0.33063 0 -0.68183 LEU_42 -3.72869 0.28 2.75052 -0.50162 0.41017 0.12505 1.43491 -1.53802 -0 -0 -0.61156 0.17323 0 0 0 0 0 0 -0.01391 0.25376 0.26762 0 -0.27566 0 0.18072 -0.30515 0 -1.09864 HIS_D:CtermProteinFull_43 -3.22504 0.25221 3.55523 -0.8332 0.13046 1.60768 1.56113 -1.63645 -0 -0 -0.54639 -0.78488 0 0 0 0 0 0 0 0.00155 0 1.59738 0 0 -0.45461 -0.08348 0 1.14161 #END_POSE_ENERGIES_TABLE start14_0624_0002.pdb score_per_res -2.77563 total_score -119.352
HEEH_KT_rd6_4197.pdb
ATOM 1 N ASP A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA ASP A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C ASP A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O ASP A 1 1.621 2.247 -0.825 1.00 0.00 O ATOM 5 CB ASP A 1 1.994 -0.762 -1.214 1.00 0.00 C ATOM 6 CG ASP A 1 3.512 -0.885 -1.213 1.00 0.00 C ATOM 7 OD1 ASP A 1 4.012 -1.823 -0.639 1.00 0.00 O ATOM 8 OD2 ASP A 1 4.157 -0.040 -1.787 1.00 0.00 O ATOM 9 1H ASP A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 10 2H ASP A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 11 3H ASP A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 12 HA ASP A 1 1.804 -0.509 0.900 1.00 0.00 H ATOM 13 1HB ASP A 1 1.563 -1.763 -1.236 1.00 0.00 H ATOM 14 2HB ASP A 1 1.686 -0.253 -2.128 1.00 0.00 H ATOM 15 N GLU A 2 2.915 1.698 0.931 1.00 0.00 N ATOM 16 CA GLU A 2 3.420 3.051 1.129 1.00 0.00 C ATOM 17 C GLU A 2 4.222 3.523 -0.077 1.00 0.00 C ATOM 18 O GLU A 2 4.137 4.684 -0.475 1.00 0.00 O ATOM 19 CB GLU A 2 4.287 3.118 2.388 1.00 0.00 C ATOM 20 CG GLU A 2 3.526 2.894 3.688 1.00 0.00 C ATOM 21 CD GLU A 2 3.231 1.444 3.950 1.00 0.00 C ATOM 22 OE1 GLU A 2 3.656 0.620 3.176 1.00 0.00 O ATOM 23 OE2 GLU A 2 2.578 1.158 4.927 1.00 0.00 O ATOM 24 H GLU A 2 3.264 0.952 1.517 1.00 0.00 H ATOM 25 HA GLU A 2 2.570 3.721 1.268 1.00 0.00 H ATOM 26 1HB GLU A 2 5.074 2.366 2.328 1.00 0.00 H ATOM 27 2HB GLU A 2 4.769 4.093 2.447 1.00 0.00 H ATOM 28 1HG GLU A 2 4.117 3.288 4.515 1.00 0.00 H ATOM 29 2HG GLU A 2 2.590 3.449 3.649 1.00 0.00 H ATOM 30 N PHE A 3 5.000 2.615 -0.655 1.00 0.00 N ATOM 31 CA PHE A 3 5.868 2.952 -1.778 1.00 0.00 C ATOM 32 C PHE A 3 5.061 3.165 -3.052 1.00 0.00 C ATOM 33 O PHE A 3 5.397 4.016 -3.875 1.00 0.00 O ATOM 34 CB PHE A 3 6.905 1.850 -2.002 1.00 0.00 C ATOM 35 CG PHE A 3 8.018 2.245 -2.931 1.00 0.00 C ATOM 36 CD1 PHE A 3 8.980 3.161 -2.532 1.00 0.00 C ATOM 37 CD2 PHE A 3 8.104 1.703 -4.204 1.00 0.00 C ATOM 38 CE1 PHE A 3 10.005 3.525 -3.385 1.00 0.00 C ATOM 39 CE2 PHE A 3 9.128 2.065 -5.058 1.00 0.00 C ATOM 40 CZ PHE A 3 10.079 2.977 -4.648 1.00 0.00 C ATOM 41 H PHE A 3 4.991 1.665 -0.309 1.00 0.00 H ATOM 42 HA PHE A 3 6.397 3.875 -1.540 1.00 0.00 H ATOM 43 1HB PHE A 3 7.344 1.564 -1.048 1.00 0.00 H ATOM 44 2HB PHE A 3 6.415 0.969 -2.415 1.00 0.00 H ATOM 45 HD1 PHE A 3 8.922 3.593 -1.533 1.00 0.00 H ATOM 46 HD2 PHE A 3 7.352 0.983 -4.528 1.00 0.00 H ATOM 47 HE1 PHE A 3 10.754 4.246 -3.059 1.00 0.00 H ATOM 48 HE2 PHE A 3 9.184 1.631 -6.057 1.00 0.00 H ATOM 49 HZ PHE A 3 10.885 3.264 -5.321 1.00 0.00 H ATOM 50 N GLU A 4 3.996 2.388 -3.209 1.00 0.00 N ATOM 51 CA GLU A 4 3.075 2.567 -4.326 1.00 0.00 C ATOM 52 C GLU A 4 2.540 3.991 -4.375 1.00 0.00 C ATOM 53 O GLU A 4 2.474 4.603 -5.441 1.00 0.00 O ATOM 54 CB GLU A 4 1.912 1.578 -4.222 1.00 0.00 C ATOM 55 CG GLU A 4 0.870 1.715 -5.323 1.00 0.00 C ATOM 56 CD GLU A 4 -0.151 0.612 -5.304 1.00 0.00 C ATOM 57 OE1 GLU A 4 -0.031 -0.268 -4.486 1.00 0.00 O ATOM 58 OE2 GLU A 4 -1.052 0.650 -6.108 1.00 0.00 O ATOM 59 H GLU A 4 3.819 1.653 -2.539 1.00 0.00 H ATOM 60 HA GLU A 4 3.612 2.361 -5.253 1.00 0.00 H ATOM 61 1HB GLU A 4 2.297 0.559 -4.252 1.00 0.00 H ATOM 62 2HB GLU A 4 1.407 1.709 -3.265 1.00 0.00 H ATOM 63 1HG GLU A 4 0.358 2.670 -5.207 1.00 0.00 H ATOM 64 2HG GLU A 4 1.375 1.720 -6.288 1.00 0.00 H ATOM 65 N GLU A 5 2.158 4.515 -3.215 1.00 0.00 N ATOM 66 CA GLU A 5 1.692 5.894 -3.113 1.00 0.00 C ATOM 67 C GLU A 5 2.778 6.874 -3.536 1.00 0.00 C ATOM 68 O GLU A 5 2.511 7.841 -4.250 1.00 0.00 O ATOM 69 CB GLU A 5 1.243 6.202 -1.683 1.00 0.00 C ATOM 70 CG GLU A 5 -0.046 5.509 -1.266 1.00 0.00 C ATOM 71 CD GLU A 5 -0.446 5.819 0.150 1.00 0.00 C ATOM 72 OE1 GLU A 5 0.326 6.439 0.842 1.00 0.00 O ATOM 73 OE2 GLU A 5 -1.524 5.436 0.539 1.00 0.00 O ATOM 74 H GLU A 5 2.191 3.944 -2.383 1.00 0.00 H ATOM 75 HA GLU A 5 0.832 6.018 -3.772 1.00 0.00 H ATOM 76 1HB GLU A 5 2.025 5.903 -0.984 1.00 0.00 H ATOM 77 2HB GLU A 5 1.097 7.276 -1.571 1.00 0.00 H ATOM 78 1HG GLU A 5 -0.848 5.823 -1.935 1.00 0.00 H ATOM 79 2HG GLU A 5 0.080 4.433 -1.376 1.00 0.00 H ATOM 80 N PHE A 6 4.005 6.619 -3.091 1.00 0.00 N ATOM 81 CA PHE A 6 5.154 7.410 -3.516 1.00 0.00 C ATOM 82 C PHE A 6 5.339 7.343 -5.027 1.00 0.00 C ATOM 83 O PHE A 6 5.434 8.373 -5.696 1.00 0.00 O ATOM 84 CB PHE A 6 6.425 6.922 -2.820 1.00 0.00 C ATOM 85 CG PHE A 6 7.693 7.367 -3.491 1.00 0.00 C ATOM 86 CD1 PHE A 6 8.229 8.620 -3.234 1.00 0.00 C ATOM 87 CD2 PHE A 6 8.353 6.534 -4.383 1.00 0.00 C ATOM 88 CE1 PHE A 6 9.395 9.030 -3.851 1.00 0.00 C ATOM 89 CE2 PHE A 6 9.519 6.941 -5.000 1.00 0.00 C ATOM 90 CZ PHE A 6 10.040 8.191 -4.734 1.00 0.00 C ATOM 91 H PHE A 6 4.144 5.859 -2.442 1.00 0.00 H ATOM 92 HA PHE A 6 4.984 8.449 -3.230 1.00 0.00 H ATOM 93 1HB PHE A 6 6.439 7.284 -1.793 1.00 0.00 H ATOM 94 2HB PHE A 6 6.424 5.833 -2.782 1.00 0.00 H ATOM 95 HD1 PHE A 6 7.719 9.283 -2.534 1.00 0.00 H ATOM 96 HD2 PHE A 6 7.940 5.546 -4.593 1.00 0.00 H ATOM 97 HE1 PHE A 6 9.805 10.018 -3.640 1.00 0.00 H ATOM 98 HE2 PHE A 6 10.028 6.276 -5.698 1.00 0.00 H ATOM 99 HZ PHE A 6 10.959 8.514 -5.222 1.00 0.00 H ATOM 100 N ALA A 7 5.390 6.127 -5.559 1.00 0.00 N ATOM 101 CA ALA A 7 5.692 5.921 -6.970 1.00 0.00 C ATOM 102 C ALA A 7 4.650 6.585 -7.860 1.00 0.00 C ATOM 103 O ALA A 7 4.983 7.167 -8.893 1.00 0.00 O ATOM 104 CB ALA A 7 5.782 4.434 -7.280 1.00 0.00 C ATOM 105 H ALA A 7 5.214 5.325 -4.971 1.00 0.00 H ATOM 106 HA ALA A 7 6.667 6.361 -7.183 1.00 0.00 H ATOM 107 1HB ALA A 7 6.009 4.296 -8.338 1.00 0.00 H ATOM 108 2HB ALA A 7 6.572 3.983 -6.678 1.00 0.00 H ATOM 109 3HB ALA A 7 4.832 3.956 -7.048 1.00 0.00 H ATOM 110 N ARG A 8 3.389 6.496 -7.454 1.00 0.00 N ATOM 111 CA ARG A 8 2.296 7.095 -8.211 1.00 0.00 C ATOM 112 C ARG A 8 2.342 8.615 -8.135 1.00 0.00 C ATOM 113 O ARG A 8 2.142 9.302 -9.137 1.00 0.00 O ATOM 114 CB ARG A 8 0.952 6.604 -7.692 1.00 0.00 C ATOM 115 CG ARG A 8 0.624 5.159 -8.033 1.00 0.00 C ATOM 116 CD ARG A 8 -0.718 4.768 -7.530 1.00 0.00 C ATOM 117 NE ARG A 8 -0.995 3.359 -7.762 1.00 0.00 N ATOM 118 CZ ARG A 8 -1.400 2.843 -8.938 1.00 0.00 C ATOM 119 NH1 ARG A 8 -1.571 3.630 -9.977 1.00 0.00 N ATOM 120 NH2 ARG A 8 -1.626 1.545 -9.047 1.00 0.00 N ATOM 121 H ARG A 8 3.182 6.001 -6.599 1.00 0.00 H ATOM 122 HA ARG A 8 2.392 6.794 -9.254 1.00 0.00 H ATOM 123 1HB ARG A 8 0.924 6.701 -6.607 1.00 0.00 H ATOM 124 2HB ARG A 8 0.156 7.228 -8.097 1.00 0.00 H ATOM 125 1HG ARG A 8 0.635 5.029 -9.115 1.00 0.00 H ATOM 126 2HG ARG A 8 1.365 4.501 -7.580 1.00 0.00 H ATOM 127 1HD ARG A 8 -0.773 4.954 -6.457 1.00 0.00 H ATOM 128 2HD ARG A 8 -1.483 5.353 -8.039 1.00 0.00 H ATOM 129 HE ARG A 8 -0.874 2.722 -6.985 1.00 0.00 H ATOM 130 1HH1 ARG A 8 -1.399 4.622 -9.893 1.00 0.00 H ATOM 131 2HH1 ARG A 8 -1.875 3.243 -10.859 1.00 0.00 H ATOM 132 1HH2 ARG A 8 -1.494 0.940 -8.248 1.00 0.00 H ATOM 133 2HH2 ARG A 8 -1.929 1.158 -9.929 1.00 0.00 H ATOM 134 N GLU A 9 2.605 9.135 -6.942 1.00 0.00 N ATOM 135 CA GLU A 9 2.659 10.577 -6.729 1.00 0.00 C ATOM 136 C GLU A 9 3.743 11.220 -7.584 1.00 0.00 C ATOM 137 O GLU A 9 3.528 12.270 -8.191 1.00 0.00 O ATOM 138 CB GLU A 9 2.908 10.890 -5.252 1.00 0.00 C ATOM 139 CG GLU A 9 2.899 12.374 -4.914 1.00 0.00 C ATOM 140 CD GLU A 9 3.139 12.642 -3.454 1.00 0.00 C ATOM 141 OE1 GLU A 9 2.985 11.737 -2.670 1.00 0.00 O ATOM 142 OE2 GLU A 9 3.477 13.755 -3.123 1.00 0.00 O ATOM 143 H GLU A 9 2.773 8.516 -6.162 1.00 0.00 H ATOM 144 HA GLU A 9 1.695 11.005 -7.007 1.00 0.00 H ATOM 145 1HB GLU A 9 2.146 10.403 -4.643 1.00 0.00 H ATOM 146 2HB GLU A 9 3.875 10.485 -4.953 1.00 0.00 H ATOM 147 1HG GLU A 9 3.673 12.873 -5.495 1.00 0.00 H ATOM 148 2HG GLU A 9 1.937 12.796 -5.203 1.00 0.00 H ATOM 149 N VAL A 10 4.909 10.584 -7.630 1.00 0.00 N ATOM 150 CA VAL A 10 6.027 11.090 -8.417 1.00 0.00 C ATOM 151 C VAL A 10 5.692 11.104 -9.903 1.00 0.00 C ATOM 152 O VAL A 10 5.961 12.083 -10.600 1.00 0.00 O ATOM 153 CB VAL A 10 7.280 10.224 -8.184 1.00 0.00 C ATOM 154 CG1 VAL A 10 8.374 10.594 -9.175 1.00 0.00 C ATOM 155 CG2 VAL A 10 7.768 10.394 -6.754 1.00 0.00 C ATOM 156 H VAL A 10 5.023 9.728 -7.106 1.00 0.00 H ATOM 157 HA VAL A 10 6.242 12.109 -8.098 1.00 0.00 H ATOM 158 HB VAL A 10 7.026 9.179 -8.361 1.00 0.00 H ATOM 159 1HG1 VAL A 10 9.252 9.972 -8.996 1.00 0.00 H ATOM 160 2HG1 VAL A 10 8.016 10.431 -10.191 1.00 0.00 H ATOM 161 3HG1 VAL A 10 8.641 11.643 -9.047 1.00 0.00 H ATOM 162 1HG2 VAL A 10 8.653 9.778 -6.596 1.00 0.00 H ATOM 163 2HG2 VAL A 10 8.016 11.440 -6.575 1.00 0.00 H ATOM 164 3HG2 VAL A 10 6.983 10.084 -6.063 1.00 0.00 H ATOM 165 N ALA A 11 5.104 10.014 -10.383 1.00 0.00 N ATOM 166 CA ALA A 11 4.710 9.908 -11.783 1.00 0.00 C ATOM 167 C ALA A 11 3.682 10.973 -12.147 1.00 0.00 C ATOM 168 O ALA A 11 3.731 11.549 -13.233 1.00 0.00 O ATOM 169 CB ALA A 11 4.160 8.519 -12.074 1.00 0.00 C ATOM 170 H ALA A 11 4.924 9.238 -9.761 1.00 0.00 H ATOM 171 HA ALA A 11 5.595 10.049 -12.403 1.00 0.00 H ATOM 172 1HB ALA A 11 3.870 8.455 -13.123 1.00 0.00 H ATOM 173 2HB ALA A 11 4.925 7.773 -11.863 1.00 0.00 H ATOM 174 3HB ALA A 11 3.290 8.334 -11.446 1.00 0.00 H ATOM 175 N LYS A 12 2.752 11.227 -11.234 1.00 0.00 N ATOM 176 CA LYS A 12 1.711 12.224 -11.457 1.00 0.00 C ATOM 177 C LYS A 12 2.292 13.632 -11.477 1.00 0.00 C ATOM 178 O LYS A 12 1.918 14.456 -12.311 1.00 0.00 O ATOM 179 CB LYS A 12 0.627 12.117 -10.384 1.00 0.00 C ATOM 180 CG LYS A 12 -0.285 10.907 -10.529 1.00 0.00 C ATOM 181 CD LYS A 12 -1.320 10.858 -9.415 1.00 0.00 C ATOM 182 CE LYS A 12 -2.252 9.666 -9.575 1.00 0.00 C ATOM 183 NZ LYS A 12 -3.279 9.613 -8.500 1.00 0.00 N ATOM 184 H LYS A 12 2.766 10.718 -10.361 1.00 0.00 H ATOM 185 HA LYS A 12 1.244 12.026 -12.422 1.00 0.00 H ATOM 186 1HB LYS A 12 1.094 12.068 -9.399 1.00 0.00 H ATOM 187 2HB LYS A 12 0.004 13.011 -10.406 1.00 0.00 H ATOM 188 1HG LYS A 12 -0.800 10.953 -11.490 1.00 0.00 H ATOM 189 2HG LYS A 12 0.311 9.996 -10.500 1.00 0.00 H ATOM 190 1HD LYS A 12 -0.815 10.787 -8.451 1.00 0.00 H ATOM 191 2HD LYS A 12 -1.912 11.773 -9.428 1.00 0.00 H ATOM 192 1HE LYS A 12 -2.755 9.724 -10.539 1.00 0.00 H ATOM 193 2HE LYS A 12 -1.670 8.744 -9.549 1.00 0.00 H ATOM 194 1HZ LYS A 12 -3.875 8.810 -8.642 1.00 0.00 H ATOM 195 2HZ LYS A 12 -2.823 9.540 -7.601 1.00 0.00 H ATOM 196 3HZ LYS A 12 -3.837 10.455 -8.526 1.00 0.00 H ATOM 197 N ARG A 13 3.208 13.901 -10.553 1.00 0.00 N ATOM 198 CA ARG A 13 3.879 15.194 -10.494 1.00 0.00 C ATOM 199 C ARG A 13 4.747 15.421 -11.725 1.00 0.00 C ATOM 200 O ARG A 13 4.827 16.534 -12.245 1.00 0.00 O ATOM 201 CB ARG A 13 4.742 15.294 -9.245 1.00 0.00 C ATOM 202 CG ARG A 13 3.969 15.471 -7.947 1.00 0.00 C ATOM 203 CD ARG A 13 4.878 15.599 -6.780 1.00 0.00 C ATOM 204 NE ARG A 13 4.145 15.676 -5.527 1.00 0.00 N ATOM 205 CZ ARG A 13 3.568 16.795 -5.046 1.00 0.00 C ATOM 206 NH1 ARG A 13 3.648 17.919 -5.723 1.00 0.00 N ATOM 207 NH2 ARG A 13 2.921 16.762 -3.893 1.00 0.00 N ATOM 208 H ARG A 13 3.444 13.193 -9.873 1.00 0.00 H ATOM 209 HA ARG A 13 3.121 15.977 -10.452 1.00 0.00 H ATOM 210 1HB ARG A 13 5.346 14.393 -9.147 1.00 0.00 H ATOM 211 2HB ARG A 13 5.425 16.138 -9.340 1.00 0.00 H ATOM 212 1HG ARG A 13 3.359 16.373 -8.007 1.00 0.00 H ATOM 213 2HG ARG A 13 3.324 14.607 -7.786 1.00 0.00 H ATOM 214 1HD ARG A 13 5.538 14.733 -6.736 1.00 0.00 H ATOM 215 2HD ARG A 13 5.476 16.504 -6.881 1.00 0.00 H ATOM 216 HE ARG A 13 4.062 14.831 -4.978 1.00 0.00 H ATOM 217 1HH1 ARG A 13 4.142 17.944 -6.603 1.00 0.00 H ATOM 218 2HH1 ARG A 13 3.215 18.757 -5.362 1.00 0.00 H ATOM 219 1HH2 ARG A 13 2.860 15.897 -3.373 1.00 0.00 H ATOM 220 2HH2 ARG A 13 2.489 17.599 -3.533 1.00 0.00 H ATOM 221 N GLY A 14 5.397 14.358 -12.189 1.00 0.00 N ATOM 222 CA GLY A 14 6.248 14.435 -13.370 1.00 0.00 C ATOM 223 C GLY A 14 7.649 14.910 -13.008 1.00 0.00 C ATOM 224 O GLY A 14 8.444 15.251 -13.884 1.00 0.00 O ATOM 225 H GLY A 14 5.298 13.474 -11.710 1.00 0.00 H ATOM 226 1HA GLY A 14 6.302 13.455 -13.844 1.00 0.00 H ATOM 227 2HA GLY A 14 5.804 15.118 -14.094 1.00 0.00 H ATOM 228 N THR A 15 7.947 14.929 -11.713 1.00 0.00 N ATOM 229 CA THR A 15 9.239 15.401 -11.231 1.00 0.00 C ATOM 230 C THR A 15 10.190 14.240 -10.972 1.00 0.00 C ATOM 231 O THR A 15 9.783 13.077 -10.986 1.00 0.00 O ATOM 232 CB THR A 15 9.079 16.235 -9.946 1.00 0.00 C ATOM 233 OG1 THR A 15 8.563 15.406 -8.896 1.00 0.00 O ATOM 234 CG2 THR A 15 8.129 17.399 -10.180 1.00 0.00 C ATOM 235 H THR A 15 7.260 14.608 -11.046 1.00 0.00 H ATOM 236 HA THR A 15 9.677 16.048 -11.992 1.00 0.00 H ATOM 237 HB THR A 15 10.051 16.622 -9.640 1.00 0.00 H ATOM 238 HG1 THR A 15 9.267 14.849 -8.554 1.00 0.00 H ATOM 239 1HG2 THR A 15 8.028 17.977 -9.262 1.00 0.00 H ATOM 240 2HG2 THR A 15 8.524 18.038 -10.970 1.00 0.00 H ATOM 241 3HG2 THR A 15 7.153 17.018 -10.477 1.00 0.00 H ATOM 242 N GLU A 16 11.457 14.560 -10.735 1.00 0.00 N ATOM 243 CA GLU A 16 12.458 13.546 -10.430 1.00 0.00 C ATOM 244 C GLU A 16 12.422 13.162 -8.955 1.00 0.00 C ATOM 245 O GLU A 16 11.969 13.937 -8.113 1.00 0.00 O ATOM 246 CB GLU A 16 13.855 14.048 -10.802 1.00 0.00 C ATOM 247 CG GLU A 16 14.037 14.362 -12.281 1.00 0.00 C ATOM 248 CD GLU A 16 15.454 14.723 -12.632 1.00 0.00 C ATOM 249 OE1 GLU A 16 16.268 14.790 -11.742 1.00 0.00 O ATOM 250 OE2 GLU A 16 15.722 14.932 -13.791 1.00 0.00 O ATOM 251 H GLU A 16 11.734 15.530 -10.769 1.00 0.00 H ATOM 252 HA GLU A 16 12.248 12.658 -11.028 1.00 0.00 H ATOM 253 1HB GLU A 16 14.079 14.954 -10.238 1.00 0.00 H ATOM 254 2HB GLU A 16 14.597 13.299 -10.526 1.00 0.00 H ATOM 255 1HG GLU A 16 13.741 13.492 -12.865 1.00 0.00 H ATOM 256 2HG GLU A 16 13.380 15.187 -12.549 1.00 0.00 H ATOM 257 N ALA A 17 12.899 11.960 -8.651 1.00 0.00 N ATOM 258 CA ALA A 17 12.990 11.500 -7.270 1.00 0.00 C ATOM 259 C ALA A 17 14.148 10.527 -7.089 1.00 0.00 C ATOM 260 O ALA A 17 14.592 9.891 -8.044 1.00 0.00 O ATOM 261 CB ALA A 17 11.681 10.852 -6.842 1.00 0.00 C ATOM 262 H ALA A 17 13.209 11.350 -9.393 1.00 0.00 H ATOM 263 HA ALA A 17 13.155 12.364 -6.627 1.00 0.00 H ATOM 264 1HB ALA A 17 11.764 10.514 -5.808 1.00 0.00 H ATOM 265 2HB ALA A 17 10.872 11.578 -6.922 1.00 0.00 H ATOM 266 3HB ALA A 17 11.469 10.000 -7.486 1.00 0.00 H ATOM 267 N TRP A 18 14.631 10.415 -5.856 1.00 0.00 N ATOM 268 CA TRP A 18 15.644 9.421 -5.518 1.00 0.00 C ATOM 269 C TRP A 18 15.079 8.353 -4.591 1.00 0.00 C ATOM 270 O TRP A 18 14.292 8.650 -3.692 1.00 0.00 O ATOM 271 CB TRP A 18 16.849 10.091 -4.855 1.00 0.00 C ATOM 272 CG TRP A 18 17.670 10.917 -5.800 1.00 0.00 C ATOM 273 CD1 TRP A 18 17.486 12.233 -6.103 1.00 0.00 C ATOM 274 CD2 TRP A 18 18.814 10.483 -6.573 1.00 0.00 C ATOM 275 NE1 TRP A 18 18.432 12.646 -7.008 1.00 0.00 N ATOM 276 CE2 TRP A 18 19.254 11.589 -7.306 1.00 0.00 C ATOM 277 CE3 TRP A 18 19.491 9.264 -6.700 1.00 0.00 C ATOM 278 CZ2 TRP A 18 20.343 11.517 -8.160 1.00 0.00 C ATOM 279 CZ3 TRP A 18 20.584 9.192 -7.556 1.00 0.00 C ATOM 280 CH2 TRP A 18 20.999 10.290 -8.266 1.00 0.00 C ATOM 281 H TRP A 18 14.290 11.034 -5.135 1.00 0.00 H ATOM 282 HA TRP A 18 15.981 8.943 -6.439 1.00 0.00 H ATOM 283 1HB TRP A 18 16.507 10.736 -4.045 1.00 0.00 H ATOM 284 2HB TRP A 18 17.494 9.330 -4.417 1.00 0.00 H ATOM 285 HD1 TRP A 18 16.703 12.864 -5.687 1.00 0.00 H ATOM 286 HE1 TRP A 18 18.511 13.576 -7.393 1.00 0.00 H ATOM 287 HE3 TRP A 18 19.168 8.389 -6.136 1.00 0.00 H ATOM 288 HZ2 TRP A 18 20.688 12.378 -8.733 1.00 0.00 H ATOM 289 HZ3 TRP A 18 21.105 8.239 -7.650 1.00 0.00 H ATOM 290 HH2 TRP A 18 21.860 10.199 -8.929 1.00 0.00 H ATOM 291 N VAL A 19 15.485 7.108 -4.814 1.00 0.00 N ATOM 292 CA VAL A 19 15.061 6.000 -3.967 1.00 0.00 C ATOM 293 C VAL A 19 16.244 5.125 -3.571 1.00 0.00 C ATOM 294 O VAL A 19 17.139 4.872 -4.377 1.00 0.00 O ATOM 295 CB VAL A 19 14.012 5.141 -4.697 1.00 0.00 C ATOM 296 CG1 VAL A 19 13.620 3.942 -3.846 1.00 0.00 C ATOM 297 CG2 VAL A 19 12.793 5.986 -5.032 1.00 0.00 C ATOM 298 H VAL A 19 16.105 6.924 -5.590 1.00 0.00 H ATOM 299 HA VAL A 19 14.610 6.409 -3.063 1.00 0.00 H ATOM 300 HB VAL A 19 14.450 4.753 -5.617 1.00 0.00 H ATOM 301 1HG1 VAL A 19 12.878 3.345 -4.378 1.00 0.00 H ATOM 302 2HG1 VAL A 19 14.502 3.332 -3.649 1.00 0.00 H ATOM 303 3HG1 VAL A 19 13.199 4.288 -2.903 1.00 0.00 H ATOM 304 1HG2 VAL A 19 12.055 5.373 -5.549 1.00 0.00 H ATOM 305 2HG2 VAL A 19 12.358 6.379 -4.112 1.00 0.00 H ATOM 306 3HG2 VAL A 19 13.090 6.815 -5.675 1.00 0.00 H ATOM 307 N ARG A 20 16.242 4.666 -2.324 1.00 0.00 N ATOM 308 CA ARG A 20 17.222 3.688 -1.866 1.00 0.00 C ATOM 309 C ARG A 20 16.542 2.449 -1.302 1.00 0.00 C ATOM 310 O ARG A 20 15.705 2.543 -0.403 1.00 0.00 O ATOM 311 CB ARG A 20 18.127 4.294 -0.803 1.00 0.00 C ATOM 312 CG ARG A 20 19.166 3.344 -0.230 1.00 0.00 C ATOM 313 CD ARG A 20 20.136 4.053 0.644 1.00 0.00 C ATOM 314 NE ARG A 20 21.052 3.131 1.297 1.00 0.00 N ATOM 315 CZ ARG A 20 22.125 3.504 2.022 1.00 0.00 C ATOM 316 NH1 ARG A 20 22.402 4.780 2.177 1.00 0.00 N ATOM 317 NH2 ARG A 20 22.898 2.587 2.577 1.00 0.00 N ATOM 318 H ARG A 20 15.543 5.002 -1.677 1.00 0.00 H ATOM 319 HA ARG A 20 17.839 3.393 -2.715 1.00 0.00 H ATOM 320 1HB ARG A 20 18.656 5.149 -1.220 1.00 0.00 H ATOM 321 2HB ARG A 20 17.520 4.659 0.026 1.00 0.00 H ATOM 322 1HG ARG A 20 18.669 2.575 0.362 1.00 0.00 H ATOM 323 2HG ARG A 20 19.718 2.874 -1.045 1.00 0.00 H ATOM 324 1HD ARG A 20 20.722 4.750 0.046 1.00 0.00 H ATOM 325 2HD ARG A 20 19.597 4.601 1.416 1.00 0.00 H ATOM 326 HE ARG A 20 20.871 2.141 1.200 1.00 0.00 H ATOM 327 1HH1 ARG A 20 21.811 5.480 1.753 1.00 0.00 H ATOM 328 2HH1 ARG A 20 23.206 5.059 2.721 1.00 0.00 H ATOM 329 1HH2 ARG A 20 22.685 1.606 2.457 1.00 0.00 H ATOM 330 2HH2 ARG A 20 23.701 2.866 3.120 1.00 0.00 H ATOM 331 N LEU A 21 16.905 1.287 -1.833 1.00 0.00 N ATOM 332 CA LEU A 21 16.394 0.019 -1.327 1.00 0.00 C ATOM 333 C LEU A 21 17.519 -0.842 -0.764 1.00 0.00 C ATOM 334 O LEU A 21 18.292 -1.438 -1.513 1.00 0.00 O ATOM 335 CB LEU A 21 15.667 -0.743 -2.442 1.00 0.00 C ATOM 336 CG LEU A 21 15.171 -2.147 -2.074 1.00 0.00 C ATOM 337 CD1 LEU A 21 14.199 -2.053 -0.906 1.00 0.00 C ATOM 338 CD2 LEU A 21 14.509 -2.786 -3.286 1.00 0.00 C ATOM 339 H LEU A 21 17.550 1.282 -2.610 1.00 0.00 H ATOM 340 HA LEU A 21 15.680 0.227 -0.528 1.00 0.00 H ATOM 341 1HB LEU A 21 14.804 -0.159 -2.756 1.00 0.00 H ATOM 342 2HB LEU A 21 16.341 -0.842 -3.292 1.00 0.00 H ATOM 343 HG LEU A 21 16.015 -2.760 -1.756 1.00 0.00 H ATOM 344 1HD1 LEU A 21 13.846 -3.051 -0.644 1.00 0.00 H ATOM 345 2HD1 LEU A 21 14.703 -1.611 -0.047 1.00 0.00 H ATOM 346 3HD1 LEU A 21 13.350 -1.431 -1.188 1.00 0.00 H ATOM 347 1HD2 LEU A 21 14.157 -3.784 -3.025 1.00 0.00 H ATOM 348 2HD2 LEU A 21 13.664 -2.175 -3.603 1.00 0.00 H ATOM 349 3HD2 LEU A 21 15.231 -2.857 -4.099 1.00 0.00 H ATOM 350 N LEU A 22 17.604 -0.903 0.561 1.00 0.00 N ATOM 351 CA LEU A 22 18.741 -1.524 1.228 1.00 0.00 C ATOM 352 C LEU A 22 20.049 -0.853 0.828 1.00 0.00 C ATOM 353 O LEU A 22 20.363 0.242 1.294 1.00 0.00 O ATOM 354 CB LEU A 22 18.800 -3.019 0.890 1.00 0.00 C ATOM 355 CG LEU A 22 17.575 -3.844 1.303 1.00 0.00 C ATOM 356 CD1 LEU A 22 17.679 -5.242 0.707 1.00 0.00 C ATOM 357 CD2 LEU A 22 17.489 -3.902 2.821 1.00 0.00 C ATOM 358 H LEU A 22 16.861 -0.507 1.121 1.00 0.00 H ATOM 359 HA LEU A 22 18.610 -1.421 2.306 1.00 0.00 H ATOM 360 1HB LEU A 22 18.925 -3.127 -0.186 1.00 0.00 H ATOM 361 2HB LEU A 22 19.672 -3.452 1.381 1.00 0.00 H ATOM 362 HG LEU A 22 16.672 -3.379 0.905 1.00 0.00 H ATOM 363 1HD1 LEU A 22 16.808 -5.828 1.000 1.00 0.00 H ATOM 364 2HD1 LEU A 22 17.719 -5.172 -0.380 1.00 0.00 H ATOM 365 3HD1 LEU A 22 18.583 -5.727 1.074 1.00 0.00 H ATOM 366 1HD2 LEU A 22 16.617 -4.488 3.114 1.00 0.00 H ATOM 367 2HD2 LEU A 22 18.390 -4.368 3.219 1.00 0.00 H ATOM 368 3HD2 LEU A 22 17.397 -2.891 3.218 1.00 0.00 H ATOM 369 N THR A 23 20.807 -1.516 -0.039 1.00 0.00 N ATOM 370 CA THR A 23 22.114 -1.018 -0.451 1.00 0.00 C ATOM 371 C THR A 23 22.078 -0.492 -1.880 1.00 0.00 C ATOM 372 O THR A 23 23.066 0.046 -2.379 1.00 0.00 O ATOM 373 CB THR A 23 23.189 -2.114 -0.330 1.00 0.00 C ATOM 374 OG1 THR A 23 22.861 -3.207 -1.198 1.00 0.00 O ATOM 375 CG2 THR A 23 23.278 -2.618 1.102 1.00 0.00 C ATOM 376 H THR A 23 20.470 -2.388 -0.422 1.00 0.00 H ATOM 377 HA THR A 23 22.398 -0.202 0.215 1.00 0.00 H ATOM 378 HB THR A 23 24.156 -1.709 -0.627 1.00 0.00 H ATOM 379 HG1 THR A 23 23.107 -2.984 -2.099 1.00 0.00 H ATOM 380 1HG2 THR A 23 24.043 -3.392 1.169 1.00 0.00 H ATOM 381 2HG2 THR A 23 23.539 -1.792 1.763 1.00 0.00 H ATOM 382 3HG2 THR A 23 22.316 -3.032 1.402 1.00 0.00 H ATOM 383 N LYS A 24 20.933 -0.652 -2.535 1.00 0.00 N ATOM 384 CA LYS A 24 20.790 -0.268 -3.934 1.00 0.00 C ATOM 385 C LYS A 24 20.142 1.105 -4.065 1.00 0.00 C ATOM 386 O LYS A 24 19.124 1.385 -3.431 1.00 0.00 O ATOM 387 CB LYS A 24 19.969 -1.311 -4.694 1.00 0.00 C ATOM 388 CG LYS A 24 19.791 -1.012 -6.177 1.00 0.00 C ATOM 389 CD LYS A 24 19.042 -2.134 -6.880 1.00 0.00 C ATOM 390 CE LYS A 24 18.791 -1.801 -8.344 1.00 0.00 C ATOM 391 NZ LYS A 24 18.108 -2.913 -9.059 1.00 0.00 N ATOM 392 H LYS A 24 20.140 -1.049 -2.050 1.00 0.00 H ATOM 393 HA LYS A 24 21.782 -0.231 -4.386 1.00 0.00 H ATOM 394 1HB LYS A 24 20.449 -2.286 -4.605 1.00 0.00 H ATOM 395 2HB LYS A 24 18.978 -1.391 -4.247 1.00 0.00 H ATOM 396 1HG LYS A 24 19.232 -0.083 -6.296 1.00 0.00 H ATOM 397 2HG LYS A 24 20.767 -0.890 -6.644 1.00 0.00 H ATOM 398 1HD LYS A 24 19.624 -3.054 -6.820 1.00 0.00 H ATOM 399 2HD LYS A 24 18.084 -2.298 -6.386 1.00 0.00 H ATOM 400 1HE LYS A 24 18.173 -0.907 -8.412 1.00 0.00 H ATOM 401 2HE LYS A 24 19.741 -1.597 -8.838 1.00 0.00 H ATOM 402 1HZ LYS A 24 17.961 -2.653 -10.024 1.00 0.00 H ATOM 403 2HZ LYS A 24 18.682 -3.744 -9.018 1.00 0.00 H ATOM 404 3HZ LYS A 24 17.217 -3.098 -8.621 1.00 0.00 H ATOM 405 N THR A 25 20.738 1.958 -4.890 1.00 0.00 N ATOM 406 CA THR A 25 20.194 3.288 -5.143 1.00 0.00 C ATOM 407 C THR A 25 19.789 3.448 -6.603 1.00 0.00 C ATOM 408 O THR A 25 20.430 2.900 -7.499 1.00 0.00 O ATOM 409 CB THR A 25 21.207 4.383 -4.763 1.00 0.00 C ATOM 410 OG1 THR A 25 22.403 4.221 -5.537 1.00 0.00 O ATOM 411 CG2 THR A 25 21.551 4.303 -3.284 1.00 0.00 C ATOM 412 H THR A 25 21.591 1.680 -5.355 1.00 0.00 H ATOM 413 HA THR A 25 19.311 3.424 -4.517 1.00 0.00 H ATOM 414 HB THR A 25 20.782 5.363 -4.979 1.00 0.00 H ATOM 415 HG1 THR A 25 22.208 4.382 -6.464 1.00 0.00 H ATOM 416 1HG2 THR A 25 22.268 5.085 -3.034 1.00 0.00 H ATOM 417 2HG2 THR A 25 20.645 4.438 -2.692 1.00 0.00 H ATOM 418 3HG2 THR A 25 21.986 3.329 -3.064 1.00 0.00 H ATOM 419 N ILE A 26 18.721 4.205 -6.834 1.00 0.00 N ATOM 420 CA ILE A 26 18.245 4.464 -8.188 1.00 0.00 C ATOM 421 C ILE A 26 17.745 5.895 -8.332 1.00 0.00 C ATOM 422 O ILE A 26 17.148 6.450 -7.409 1.00 0.00 O ATOM 423 CB ILE A 26 17.119 3.486 -8.570 1.00 0.00 C ATOM 424 CG1 ILE A 26 16.709 3.688 -10.031 1.00 0.00 C ATOM 425 CG2 ILE A 26 15.922 3.666 -7.649 1.00 0.00 C ATOM 426 CD1 ILE A 26 15.863 2.566 -10.589 1.00 0.00 C ATOM 427 H ILE A 26 18.225 4.610 -6.053 1.00 0.00 H ATOM 428 HA ILE A 26 19.074 4.310 -8.881 1.00 0.00 H ATOM 429 HB ILE A 26 17.481 2.462 -8.483 1.00 0.00 H ATOM 430 1HG1 ILE A 26 16.150 4.618 -10.127 1.00 0.00 H ATOM 431 2HG1 ILE A 26 17.602 3.779 -10.650 1.00 0.00 H ATOM 432 1HG2 ILE A 26 15.135 2.968 -7.933 1.00 0.00 H ATOM 433 2HG2 ILE A 26 16.223 3.474 -6.620 1.00 0.00 H ATOM 434 3HG2 ILE A 26 15.549 4.687 -7.733 1.00 0.00 H ATOM 435 1HD1 ILE A 26 15.613 2.781 -11.628 1.00 0.00 H ATOM 436 2HD1 ILE A 26 16.419 1.629 -10.535 1.00 0.00 H ATOM 437 3HD1 ILE A 26 14.947 2.478 -10.007 1.00 0.00 H ATOM 438 N ARG A 27 17.992 6.489 -9.494 1.00 0.00 N ATOM 439 CA ARG A 27 17.422 7.788 -9.828 1.00 0.00 C ATOM 440 C ARG A 27 16.178 7.638 -10.695 1.00 0.00 C ATOM 441 O ARG A 27 16.202 6.953 -11.718 1.00 0.00 O ATOM 442 CB ARG A 27 18.443 8.650 -10.557 1.00 0.00 C ATOM 443 CG ARG A 27 18.001 10.081 -10.819 1.00 0.00 C ATOM 444 CD ARG A 27 19.047 10.856 -11.534 1.00 0.00 C ATOM 445 NE ARG A 27 18.650 12.240 -11.741 1.00 0.00 N ATOM 446 CZ ARG A 27 19.416 13.174 -12.337 1.00 0.00 C ATOM 447 NH1 ARG A 27 20.614 12.859 -12.778 1.00 0.00 N ATOM 448 NH2 ARG A 27 18.964 14.408 -12.477 1.00 0.00 N ATOM 449 H ARG A 27 18.591 6.028 -10.165 1.00 0.00 H ATOM 450 HA ARG A 27 17.144 8.292 -8.902 1.00 0.00 H ATOM 451 1HB ARG A 27 19.364 8.690 -9.978 1.00 0.00 H ATOM 452 2HB ARG A 27 18.680 8.196 -11.519 1.00 0.00 H ATOM 453 1HG ARG A 27 17.099 10.077 -11.431 1.00 0.00 H ATOM 454 2HG ARG A 27 17.794 10.577 -9.870 1.00 0.00 H ATOM 455 1HD ARG A 27 19.967 10.849 -10.950 1.00 0.00 H ATOM 456 2HD ARG A 27 19.232 10.405 -12.508 1.00 0.00 H ATOM 457 HE ARG A 27 17.735 12.520 -11.414 1.00 0.00 H ATOM 458 1HH1 ARG A 27 20.960 11.916 -12.670 1.00 0.00 H ATOM 459 2HH1 ARG A 27 21.188 13.559 -13.225 1.00 0.00 H ATOM 460 1HH2 ARG A 27 18.043 14.650 -12.138 1.00 0.00 H ATOM 461 2HH2 ARG A 27 19.537 15.108 -12.924 1.00 0.00 H ATOM 462 N VAL A 28 15.092 8.281 -10.279 1.00 0.00 N ATOM 463 CA VAL A 28 13.833 8.211 -11.011 1.00 0.00 C ATOM 464 C VAL A 28 13.608 9.469 -11.839 1.00 0.00 C ATOM 465 O VAL A 28 13.399 10.554 -11.295 1.00 0.00 O ATOM 466 CB VAL A 28 12.656 8.026 -10.035 1.00 0.00 C ATOM 467 CG1 VAL A 28 11.343 7.929 -10.796 1.00 0.00 C ATOM 468 CG2 VAL A 28 12.880 6.785 -9.184 1.00 0.00 C ATOM 469 H VAL A 28 15.141 8.833 -9.434 1.00 0.00 H ATOM 470 HA VAL A 28 13.870 7.353 -11.683 1.00 0.00 H ATOM 471 HB VAL A 28 12.590 8.902 -9.389 1.00 0.00 H ATOM 472 1HG1 VAL A 28 10.522 7.799 -10.090 1.00 0.00 H ATOM 473 2HG1 VAL A 28 11.186 8.843 -11.369 1.00 0.00 H ATOM 474 3HG1 VAL A 28 11.377 7.076 -11.473 1.00 0.00 H ATOM 475 1HG2 VAL A 28 12.044 6.660 -8.496 1.00 0.00 H ATOM 476 2HG2 VAL A 28 12.952 5.909 -9.830 1.00 0.00 H ATOM 477 3HG2 VAL A 28 13.804 6.894 -8.617 1.00 0.00 H ATOM 478 N THR A 29 13.650 9.319 -13.159 1.00 0.00 N ATOM 479 CA THR A 29 13.607 10.463 -14.062 1.00 0.00 C ATOM 480 C THR A 29 12.378 10.409 -14.960 1.00 0.00 C ATOM 481 O THR A 29 12.152 11.306 -15.772 1.00 0.00 O ATOM 482 CB THR A 29 14.878 10.534 -14.929 1.00 0.00 C ATOM 483 OG1 THR A 29 14.958 9.370 -15.761 1.00 0.00 O ATOM 484 CG2 THR A 29 16.118 10.612 -14.051 1.00 0.00 C ATOM 485 H THR A 29 13.714 8.388 -13.545 1.00 0.00 H ATOM 486 HA THR A 29 13.565 11.374 -13.465 1.00 0.00 H ATOM 487 HB THR A 29 14.835 11.417 -15.566 1.00 0.00 H ATOM 488 HG1 THR A 29 14.409 9.495 -16.538 1.00 0.00 H ATOM 489 1HG2 THR A 29 17.006 10.662 -14.680 1.00 0.00 H ATOM 490 2HG2 THR A 29 16.066 11.502 -13.425 1.00 0.00 H ATOM 491 3HG2 THR A 29 16.172 9.727 -13.418 1.00 0.00 H ATOM 492 N SER A 30 11.587 9.352 -14.809 1.00 0.00 N ATOM 493 CA SER A 30 10.443 9.120 -15.684 1.00 0.00 C ATOM 494 C SER A 30 9.366 8.308 -14.978 1.00 0.00 C ATOM 495 O SER A 30 9.622 7.679 -13.951 1.00 0.00 O ATOM 496 CB SER A 30 10.887 8.400 -16.943 1.00 0.00 C ATOM 497 OG SER A 30 11.245 7.075 -16.664 1.00 0.00 O ATOM 498 H SER A 30 11.781 8.694 -14.069 1.00 0.00 H ATOM 499 HA SER A 30 10.024 10.085 -15.969 1.00 0.00 H ATOM 500 1HB SER A 30 10.080 8.416 -17.675 1.00 0.00 H ATOM 501 2HB SER A 30 11.736 8.924 -17.381 1.00 0.00 H ATOM 502 HG SER A 30 11.584 6.713 -17.487 1.00 0.00 H ATOM 503 N GLU A 31 8.160 8.324 -15.534 1.00 0.00 N ATOM 504 CA GLU A 31 7.057 7.535 -14.998 1.00 0.00 C ATOM 505 C GLU A 31 7.329 6.043 -15.137 1.00 0.00 C ATOM 506 O GLU A 31 6.979 5.254 -14.259 1.00 0.00 O ATOM 507 CB GLU A 31 5.750 7.894 -15.708 1.00 0.00 C ATOM 508 CG GLU A 31 5.347 9.356 -15.584 1.00 0.00 C ATOM 509 CD GLU A 31 6.065 10.245 -16.562 1.00 0.00 C ATOM 510 OE1 GLU A 31 6.887 9.750 -17.293 1.00 0.00 O ATOM 511 OE2 GLU A 31 5.789 11.422 -16.577 1.00 0.00 O ATOM 512 H GLU A 31 8.002 8.899 -16.351 1.00 0.00 H ATOM 513 HA GLU A 31 6.944 7.773 -13.940 1.00 0.00 H ATOM 514 1HB GLU A 31 5.836 7.659 -16.769 1.00 0.00 H ATOM 515 2HB GLU A 31 4.938 7.288 -15.304 1.00 0.00 H ATOM 516 1HG GLU A 31 4.274 9.443 -15.752 1.00 0.00 H ATOM 517 2HG GLU A 31 5.557 9.695 -14.571 1.00 0.00 H ATOM 518 N GLU A 32 7.955 5.661 -16.245 1.00 0.00 N ATOM 519 CA GLU A 32 8.243 4.258 -16.517 1.00 0.00 C ATOM 520 C GLU A 32 9.155 3.666 -15.450 1.00 0.00 C ATOM 521 O GLU A 32 8.953 2.537 -15.004 1.00 0.00 O ATOM 522 CB GLU A 32 8.888 4.104 -17.896 1.00 0.00 C ATOM 523 CG GLU A 32 9.215 2.668 -18.281 1.00 0.00 C ATOM 524 CD GLU A 32 9.773 2.547 -19.672 1.00 0.00 C ATOM 525 OE1 GLU A 32 9.866 3.547 -20.343 1.00 0.00 O ATOM 526 OE2 GLU A 32 10.105 1.454 -20.064 1.00 0.00 O ATOM 527 H GLU A 32 8.239 6.361 -16.916 1.00 0.00 H ATOM 528 HA GLU A 32 7.303 3.706 -16.520 1.00 0.00 H ATOM 529 1HB GLU A 32 8.222 4.511 -18.657 1.00 0.00 H ATOM 530 2HB GLU A 32 9.814 4.679 -17.931 1.00 0.00 H ATOM 531 1HG GLU A 32 9.944 2.271 -17.574 1.00 0.00 H ATOM 532 2HG GLU A 32 8.310 2.068 -18.203 1.00 0.00 H ATOM 533 N ILE A 33 10.161 4.435 -15.046 1.00 0.00 N ATOM 534 CA ILE A 33 11.091 3.997 -14.013 1.00 0.00 C ATOM 535 C ILE A 33 10.384 3.814 -12.676 1.00 0.00 C ATOM 536 O ILE A 33 10.605 2.825 -11.977 1.00 0.00 O ATOM 537 CB ILE A 33 12.245 5.004 -13.850 1.00 0.00 C ATOM 538 CG1 ILE A 33 13.125 5.014 -15.103 1.00 0.00 C ATOM 539 CG2 ILE A 33 13.071 4.672 -12.617 1.00 0.00 C ATOM 540 CD1 ILE A 33 14.069 6.192 -15.176 1.00 0.00 C ATOM 541 H ILE A 33 10.283 5.345 -15.466 1.00 0.00 H ATOM 542 HA ILE A 33 11.521 3.042 -14.315 1.00 0.00 H ATOM 543 HB ILE A 33 11.838 6.009 -13.744 1.00 0.00 H ATOM 544 1HG1 ILE A 33 13.717 4.100 -15.138 1.00 0.00 H ATOM 545 2HG1 ILE A 33 12.494 5.029 -15.991 1.00 0.00 H ATOM 546 1HG2 ILE A 33 13.882 5.393 -12.518 1.00 0.00 H ATOM 547 2HG2 ILE A 33 12.437 4.715 -11.733 1.00 0.00 H ATOM 548 3HG2 ILE A 33 13.487 3.670 -12.717 1.00 0.00 H ATOM 549 1HD1 ILE A 33 14.659 6.129 -16.091 1.00 0.00 H ATOM 550 2HD1 ILE A 33 13.495 7.119 -15.177 1.00 0.00 H ATOM 551 3HD1 ILE A 33 14.735 6.179 -14.314 1.00 0.00 H ATOM 552 N ALA A 34 9.532 4.772 -12.326 1.00 0.00 N ATOM 553 CA ALA A 34 8.766 4.701 -11.089 1.00 0.00 C ATOM 554 C ALA A 34 7.904 3.446 -11.044 1.00 0.00 C ATOM 555 O ALA A 34 7.795 2.791 -10.007 1.00 0.00 O ATOM 556 CB ALA A 34 7.900 5.942 -10.930 1.00 0.00 C ATOM 557 H ALA A 34 9.412 5.569 -12.935 1.00 0.00 H ATOM 558 HA ALA A 34 9.463 4.676 -10.251 1.00 0.00 H ATOM 559 1HB ALA A 34 7.334 5.875 -10.000 1.00 0.00 H ATOM 560 2HB ALA A 34 8.535 6.828 -10.905 1.00 0.00 H ATOM 561 3HB ALA A 34 7.210 6.015 -11.769 1.00 0.00 H ATOM 562 N LYS A 35 7.293 3.113 -12.176 1.00 0.00 N ATOM 563 CA LYS A 35 6.435 1.938 -12.268 1.00 0.00 C ATOM 564 C LYS A 35 7.244 0.654 -12.146 1.00 0.00 C ATOM 565 O LYS A 35 6.897 -0.240 -11.376 1.00 0.00 O ATOM 566 CB LYS A 35 5.655 1.946 -13.583 1.00 0.00 C ATOM 567 CG LYS A 35 4.426 1.046 -13.591 1.00 0.00 C ATOM 568 CD LYS A 35 4.760 -0.343 -14.113 1.00 0.00 C ATOM 569 CE LYS A 35 3.528 -1.235 -14.144 1.00 0.00 C ATOM 570 NZ LYS A 35 3.875 -2.652 -14.442 1.00 0.00 N ATOM 571 H LYS A 35 7.427 3.689 -12.995 1.00 0.00 H ATOM 572 HA LYS A 35 5.711 1.973 -11.452 1.00 0.00 H ATOM 573 1HB LYS A 35 5.327 2.961 -13.806 1.00 0.00 H ATOM 574 2HB LYS A 35 6.308 1.626 -14.395 1.00 0.00 H ATOM 575 1HG LYS A 35 4.032 0.959 -12.577 1.00 0.00 H ATOM 576 2HG LYS A 35 3.656 1.487 -14.223 1.00 0.00 H ATOM 577 1HD LYS A 35 5.167 -0.264 -15.122 1.00 0.00 H ATOM 578 2HD LYS A 35 5.513 -0.801 -13.472 1.00 0.00 H ATOM 579 1HE LYS A 35 3.025 -1.193 -13.180 1.00 0.00 H ATOM 580 2HE LYS A 35 2.837 -0.876 -14.906 1.00 0.00 H ATOM 581 1HZ LYS A 35 3.032 -3.209 -14.454 1.00 0.00 H ATOM 582 2HZ LYS A 35 4.326 -2.705 -15.345 1.00 0.00 H ATOM 583 3HZ LYS A 35 4.500 -3.003 -13.732 1.00 0.00 H ATOM 584 N ARG A 36 8.327 0.568 -12.912 1.00 0.00 N ATOM 585 CA ARG A 36 9.198 -0.600 -12.880 1.00 0.00 C ATOM 586 C ARG A 36 9.850 -0.763 -11.513 1.00 0.00 C ATOM 587 O ARG A 36 10.031 -1.881 -11.030 1.00 0.00 O ATOM 588 CB ARG A 36 10.280 -0.491 -13.945 1.00 0.00 C ATOM 589 CG ARG A 36 9.790 -0.661 -15.374 1.00 0.00 C ATOM 590 CD ARG A 36 10.909 -0.601 -16.349 1.00 0.00 C ATOM 591 NE ARG A 36 10.433 -0.629 -17.723 1.00 0.00 N ATOM 592 CZ ARG A 36 10.071 -1.745 -18.385 1.00 0.00 C ATOM 593 NH1 ARG A 36 10.136 -2.914 -17.788 1.00 0.00 N ATOM 594 NH2 ARG A 36 9.651 -1.664 -19.636 1.00 0.00 N ATOM 595 H ARG A 36 8.552 1.332 -13.534 1.00 0.00 H ATOM 596 HA ARG A 36 8.597 -1.486 -13.088 1.00 0.00 H ATOM 597 1HB ARG A 36 10.762 0.483 -13.875 1.00 0.00 H ATOM 598 2HB ARG A 36 11.044 -1.248 -13.766 1.00 0.00 H ATOM 599 1HG ARG A 36 9.296 -1.627 -15.477 1.00 0.00 H ATOM 600 2HG ARG A 36 9.083 0.135 -15.614 1.00 0.00 H ATOM 601 1HD ARG A 36 11.471 0.320 -16.202 1.00 0.00 H ATOM 602 2HD ARG A 36 11.567 -1.456 -16.200 1.00 0.00 H ATOM 603 HE ARG A 36 10.369 0.252 -18.216 1.00 0.00 H ATOM 604 1HH1 ARG A 36 10.457 -2.976 -16.832 1.00 0.00 H ATOM 605 2HH1 ARG A 36 9.865 -3.750 -18.284 1.00 0.00 H ATOM 606 1HH2 ARG A 36 9.601 -0.765 -20.095 1.00 0.00 H ATOM 607 2HH2 ARG A 36 9.380 -2.500 -20.132 1.00 0.00 H ATOM 608 N LEU A 37 10.201 0.358 -10.893 1.00 0.00 N ATOM 609 CA LEU A 37 10.810 0.344 -9.569 1.00 0.00 C ATOM 610 C LEU A 37 9.828 -0.156 -8.516 1.00 0.00 C ATOM 611 O LEU A 37 10.203 -0.885 -7.599 1.00 0.00 O ATOM 612 CB LEU A 37 11.300 1.749 -9.195 1.00 0.00 C ATOM 613 CG LEU A 37 11.957 1.879 -7.815 1.00 0.00 C ATOM 614 CD1 LEU A 37 13.156 0.943 -7.733 1.00 0.00 C ATOM 615 CD2 LEU A 37 12.375 3.324 -7.587 1.00 0.00 C ATOM 616 H LEU A 37 10.044 1.244 -11.352 1.00 0.00 H ATOM 617 HA LEU A 37 11.671 -0.326 -9.590 1.00 0.00 H ATOM 618 1HB LEU A 37 12.025 2.073 -9.940 1.00 0.00 H ATOM 619 2HB LEU A 37 10.451 2.431 -9.224 1.00 0.00 H ATOM 620 HG LEU A 37 11.247 1.580 -7.044 1.00 0.00 H ATOM 621 1HD1 LEU A 37 13.623 1.036 -6.752 1.00 0.00 H ATOM 622 2HD1 LEU A 37 12.825 -0.085 -7.881 1.00 0.00 H ATOM 623 3HD1 LEU A 37 13.877 1.208 -8.505 1.00 0.00 H ATOM 624 1HD2 LEU A 37 12.842 3.417 -6.605 1.00 0.00 H ATOM 625 2HD2 LEU A 37 13.086 3.623 -8.356 1.00 0.00 H ATOM 626 3HD2 LEU A 37 11.497 3.968 -7.633 1.00 0.00 H ATOM 627 N LEU A 38 8.568 0.242 -8.655 1.00 0.00 N ATOM 628 CA LEU A 38 7.516 -0.218 -7.757 1.00 0.00 C ATOM 629 C LEU A 38 7.357 -1.732 -7.825 1.00 0.00 C ATOM 630 O LEU A 38 7.237 -2.399 -6.797 1.00 0.00 O ATOM 631 CB LEU A 38 6.185 0.458 -8.109 1.00 0.00 C ATOM 632 CG LEU A 38 4.961 -0.031 -7.323 1.00 0.00 C ATOM 633 CD1 LEU A 38 5.202 0.168 -5.833 1.00 0.00 C ATOM 634 CD2 LEU A 38 3.726 0.728 -7.784 1.00 0.00 C ATOM 635 H LEU A 38 8.333 0.880 -9.402 1.00 0.00 H ATOM 636 HA LEU A 38 7.785 0.060 -6.738 1.00 0.00 H ATOM 637 1HB LEU A 38 6.283 1.529 -7.936 1.00 0.00 H ATOM 638 2HB LEU A 38 5.984 0.299 -9.168 1.00 0.00 H ATOM 639 HG LEU A 38 4.819 -1.097 -7.498 1.00 0.00 H ATOM 640 1HD1 LEU A 38 4.333 -0.180 -5.274 1.00 0.00 H ATOM 641 2HD1 LEU A 38 6.080 -0.401 -5.527 1.00 0.00 H ATOM 642 3HD1 LEU A 38 5.365 1.226 -5.629 1.00 0.00 H ATOM 643 1HD2 LEU A 38 2.856 0.379 -7.226 1.00 0.00 H ATOM 644 2HD2 LEU A 38 3.866 1.794 -7.608 1.00 0.00 H ATOM 645 3HD2 LEU A 38 3.567 0.553 -8.848 1.00 0.00 H ATOM 646 N ASP A 39 7.357 -2.268 -9.041 1.00 0.00 N ATOM 647 CA ASP A 39 7.242 -3.707 -9.243 1.00 0.00 C ATOM 648 C ASP A 39 8.403 -4.449 -8.593 1.00 0.00 C ATOM 649 O ASP A 39 8.214 -5.500 -7.979 1.00 0.00 O ATOM 650 CB ASP A 39 7.190 -4.037 -10.737 1.00 0.00 C ATOM 651 CG ASP A 39 5.850 -3.692 -11.374 1.00 0.00 C ATOM 652 OD1 ASP A 39 4.914 -3.454 -10.648 1.00 0.00 O ATOM 653 OD2 ASP A 39 5.776 -3.669 -12.579 1.00 0.00 O ATOM 654 H ASP A 39 7.439 -1.663 -9.844 1.00 0.00 H ATOM 655 HA ASP A 39 6.310 -4.048 -8.788 1.00 0.00 H ATOM 656 1HB ASP A 39 7.975 -3.488 -11.258 1.00 0.00 H ATOM 657 2HB ASP A 39 7.382 -5.100 -10.882 1.00 0.00 H ATOM 658 N GLU A 40 9.603 -3.898 -8.732 1.00 0.00 N ATOM 659 CA GLU A 40 10.784 -4.461 -8.090 1.00 0.00 C ATOM 660 C GLU A 40 10.711 -4.318 -6.576 1.00 0.00 C ATOM 661 O GLU A 40 11.014 -5.255 -5.838 1.00 0.00 O ATOM 662 CB GLU A 40 12.051 -3.783 -8.616 1.00 0.00 C ATOM 663 CG GLU A 40 13.345 -4.320 -8.021 1.00 0.00 C ATOM 664 CD GLU A 40 14.571 -3.691 -8.622 1.00 0.00 C ATOM 665 OE1 GLU A 40 14.484 -3.195 -9.720 1.00 0.00 O ATOM 666 OE2 GLU A 40 15.597 -3.707 -7.984 1.00 0.00 O ATOM 667 H GLU A 40 9.700 -3.066 -9.297 1.00 0.00 H ATOM 668 HA GLU A 40 10.840 -5.523 -8.339 1.00 0.00 H ATOM 669 1HB GLU A 40 12.106 -3.901 -9.698 1.00 0.00 H ATOM 670 2HB GLU A 40 12.005 -2.714 -8.406 1.00 0.00 H ATOM 671 1HG GLU A 40 13.345 -4.133 -6.947 1.00 0.00 H ATOM 672 2HG GLU A 40 13.383 -5.398 -8.174 1.00 0.00 H ATOM 673 N TRP A 41 10.305 -3.138 -6.119 1.00 0.00 N ATOM 674 CA TRP A 41 10.238 -2.853 -4.690 1.00 0.00 C ATOM 675 C TRP A 41 9.412 -3.902 -3.956 1.00 0.00 C ATOM 676 O TRP A 41 9.813 -4.396 -2.903 1.00 0.00 O ATOM 677 CB TRP A 41 9.636 -1.467 -4.451 1.00 0.00 C ATOM 678 CG TRP A 41 9.682 -1.034 -3.017 1.00 0.00 C ATOM 679 CD1 TRP A 41 8.787 -1.353 -2.040 1.00 0.00 C ATOM 680 CD2 TRP A 41 10.680 -0.194 -2.388 1.00 0.00 C ATOM 681 NE1 TRP A 41 9.157 -0.773 -0.852 1.00 0.00 N ATOM 682 CE2 TRP A 41 10.314 -0.061 -1.046 1.00 0.00 C ATOM 683 CE3 TRP A 41 11.838 0.444 -2.849 1.00 0.00 C ATOM 684 CZ2 TRP A 41 11.063 0.688 -0.152 1.00 0.00 C ATOM 685 CZ3 TRP A 41 12.589 1.195 -1.952 1.00 0.00 C ATOM 686 CH2 TRP A 41 12.211 1.312 -0.638 1.00 0.00 C ATOM 687 H TRP A 41 10.037 -2.421 -6.777 1.00 0.00 H ATOM 688 HA TRP A 41 11.251 -2.861 -4.287 1.00 0.00 H ATOM 689 1HB TRP A 41 10.172 -0.729 -5.049 1.00 0.00 H ATOM 690 2HB TRP A 41 8.596 -1.461 -4.778 1.00 0.00 H ATOM 691 HD1 TRP A 41 7.907 -1.978 -2.181 1.00 0.00 H ATOM 692 HE1 TRP A 41 8.659 -0.855 0.023 1.00 0.00 H ATOM 693 HE3 TRP A 41 12.144 0.352 -3.890 1.00 0.00 H ATOM 694 HZ2 TRP A 41 10.779 0.794 0.895 1.00 0.00 H ATOM 695 HZ3 TRP A 41 13.489 1.689 -2.319 1.00 0.00 H ATOM 696 HH2 TRP A 41 12.824 1.908 0.038 1.00 0.00 H ATOM 697 N ARG A 42 8.258 -4.239 -4.521 1.00 0.00 N ATOM 698 CA ARG A 42 7.283 -5.077 -3.831 1.00 0.00 C ATOM 699 C ARG A 42 7.620 -6.554 -3.985 1.00 0.00 C ATOM 700 O ARG A 42 6.935 -7.417 -3.436 1.00 0.00 O ATOM 701 CB ARG A 42 5.882 -4.821 -4.367 1.00 0.00 C ATOM 702 CG ARG A 42 5.347 -3.420 -4.114 1.00 0.00 C ATOM 703 CD ARG A 42 4.003 -3.229 -4.716 1.00 0.00 C ATOM 704 NE ARG A 42 4.047 -3.278 -6.168 1.00 0.00 N ATOM 705 CZ ARG A 42 2.964 -3.230 -6.968 1.00 0.00 C ATOM 706 NH1 ARG A 42 1.763 -3.132 -6.444 1.00 0.00 N ATOM 707 NH2 ARG A 42 3.109 -3.282 -8.281 1.00 0.00 N ATOM 708 H ARG A 42 8.048 -3.906 -5.451 1.00 0.00 H ATOM 709 HA ARG A 42 7.299 -4.822 -2.770 1.00 0.00 H ATOM 710 1HB ARG A 42 5.868 -4.990 -5.442 1.00 0.00 H ATOM 711 2HB ARG A 42 5.186 -5.527 -3.915 1.00 0.00 H ATOM 712 1HG ARG A 42 5.269 -3.249 -3.040 1.00 0.00 H ATOM 713 2HG ARG A 42 6.026 -2.687 -4.551 1.00 0.00 H ATOM 714 1HD ARG A 42 3.333 -4.016 -4.368 1.00 0.00 H ATOM 715 2HD ARG A 42 3.606 -2.259 -4.419 1.00 0.00 H ATOM 716 HE ARG A 42 4.954 -3.354 -6.609 1.00 0.00 H ATOM 717 1HH1 ARG A 42 1.651 -3.092 -5.440 1.00 0.00 H ATOM 718 2HH1 ARG A 42 0.951 -3.095 -7.044 1.00 0.00 H ATOM 719 1HH2 ARG A 42 4.033 -3.357 -8.685 1.00 0.00 H ATOM 720 2HH2 ARG A 42 2.299 -3.246 -8.881 1.00 0.00 H ATOM 721 N THR A 43 8.680 -6.839 -4.733 1.00 0.00 N ATOM 722 CA THR A 43 9.067 -8.215 -5.020 1.00 0.00 C ATOM 723 C THR A 43 9.927 -8.790 -3.902 1.00 0.00 C ATOM 724 O THR A 43 10.658 -8.061 -3.232 1.00 0.00 O ATOM 725 OXT THR A 43 9.899 -9.966 -3.667 1.00 0.00 O ATOM 726 CB THR A 43 9.825 -8.310 -6.357 1.00 0.00 C ATOM 727 OG1 THR A 43 8.953 -7.937 -7.432 1.00 0.00 O ATOM 728 CG2 THR A 43 10.328 -9.728 -6.586 1.00 0.00 C ATOM 729 H THR A 43 9.231 -6.083 -5.113 1.00 0.00 H ATOM 730 HA THR A 43 8.163 -8.817 -5.110 1.00 0.00 H ATOM 731 HB THR A 43 10.675 -7.628 -6.343 1.00 0.00 H ATOM 732 HG1 THR A 43 8.852 -6.982 -7.444 1.00 0.00 H ATOM 733 1HG2 THR A 43 10.861 -9.776 -7.535 1.00 0.00 H ATOM 734 2HG2 THR A 43 11.000 -10.010 -5.777 1.00 0.00 H ATOM 735 3HG2 THR A 43 9.482 -10.414 -6.611 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE start18_0186_0002.pdb label fa_atr fa_rep fa_sol fa_intra_atr_xover4 fa_intra_rep_xover4 fa_intra_sol_xover4 lk_ball lk_ball_iso lk_ball_bridge lk_ball_bridge_uncpl fa_elec fa_intra_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun_dev fa_dun_rot fa_dun_semi p_aa_pp hxl_tors ref rama_prepro gen_bonded total weights 1 0.55 1 1 0.55 1 0.92 -0.38 -0.33 -0.33 1 1 1.25 1 1 1 1 1.25 0.48 0.69 0.76 0.78 0.61 1 1 0.5 1 NA pose -213 19.3995 171.462 -17.0942 7.06472 12.6542 94.2973 -92.6531 -0.28172 -2.25521 -88.7585 -13.3295 0 -23.7872 -5.62621 -4.89891 -11.7559 0 2.73109 4.04555 26.9815 41.6007 -8.75773 12.1712 -23.4545 0.50308 0 -112.742 ASP:NtermProteinFull_1 -4.26339 0.28726 6.60874 -0.20455 0.00541 0.62441 2.8234 -2.62219 -0 -0 -4.5026 -0.00274 0 0 0 -0.92316 0 0 0.30551 0.00131 0 3.31084 0 0 -2.3716 0 0 -0.92335 GLU_2 -2.69974 0.11681 3.70505 -0.46561 0.27621 1.46607 1.22631 -1.66349 -0.04915 -0.29437 -1.38153 -2.87851 0 0 0 0 0 0 -0.04591 0.02291 0 4.01122 -0.28151 0 -2.7348 -0.22016 0 -1.89021 PHE_3 -10.015 1.40357 2.7179 -0.86169 0.04486 0.36455 2.63666 -2.71392 -0.02826 -0.15301 -2.27941 0.08868 0 0 0 0 0 0 0.47759 0.16101 0 2.9278 0.0437 0 1.0402 -0.26716 0 -4.41195 GLU_4 -7.27905 0.89516 7.61301 -0.34027 0.06643 0.3927 3.7697 -3.47548 -0 -0 -4.33097 -0.58182 0 0 0 -0.92316 -0.97352 0 0.15503 0.18213 0 3.0824 -0.1131 0 -2.7348 0.01077 0 -4.58484 GLU_5 -4.29453 0.24024 5.41899 -0.21362 0.02723 0.29191 2.36569 -2.46514 -0.02089 -0.14136 -1.29647 -0.58038 0 0 0 0 0 0 0.38906 0.01938 0 3.03416 -0.15764 0 -2.7348 -0.03277 0 -0.15093 PHE_6 -7.23286 1.08215 3.64883 -0.96633 0.08609 0.30724 2.84006 -2.70733 -0.00138 -0.01212 -1.73712 -0.08674 0 0 0 0 0 0 0.12783 1.00038 0 1.77566 -0.45903 0 1.0402 0.2678 0 -1.02666 ALA_7 -5.52821 0.28072 3.13514 -0.02196 0 0 2.47259 -2.53656 -0 -0 -2.31428 -0.36102 0 0 0 0 0 0 -0.0125 0 0 0 -0.27237 0 1.8394 0.25987 0 -3.05917 ARG_8 -5.82854 0.43786 6.71475 -0.63812 0.1966 0.35423 3.46977 -2.97851 -0 -0 -3.67976 0.24444 0 0 0 0 -0.97352 0 -0.02073 0.07133 2.54989 0 -0.04143 0 -1.2888 -0.05808 0 -1.46861 GLU_9 -5.59293 0.31059 6.86158 -0.33157 0.07226 0.39348 3.73019 -3.00533 -0 -0 -3.53036 -0.57821 0 0 0 0 -1.01401 0 0.00016 0.01745 0 3.46657 -0.14042 0 -2.7348 -0.02459 0 -2.09994 VAL_10 -6.48151 0.47909 4.19978 -0.31159 0.27405 0.07072 2.98028 -2.83489 -0.01419 -0.14244 -2.52956 -0.05805 0 0 0 0 0 0 -0.03292 0.04525 0.06321 0 -0.30785 0 1.9342 0.08547 0 -2.58094 ALA_11 -4.32706 0.25545 3.14084 -0.02197 0 0 1.77734 -2.03877 -0.00138 -0.01212 -0.33642 -0.36049 0 0 0 0 0 0 -0.02048 0 0 0 -0.26683 0 1.8394 0.04932 0 -0.32318 LYS_12 -3.53964 0.29363 4.01058 -0.30169 0.02591 0.13163 1.605 -1.80833 -0 -0 -0.62371 -0.03675 0 0 0 0 0 0 0.1346 0.10865 1.81268 0 -0.03092 0 -1.5107 -0.14662 0 0.12432 ARG_13 -4.70626 0.35843 5.00248 -0.63799 0.18602 0.35611 2.63086 -2.15747 -0 -0 -2.11594 0.24492 0 0 0 0 -1.01401 0 0.01934 0.08363 2.51391 0 -0.11704 0 -1.2888 -0.13953 0 -0.78134 GLY_14 -1.91366 0.105 2.51409 -5e-05 0 0 1.01474 -1.26361 -0 -0 -1.3595 -0.40628 0 0 0 0 0 0 -0.15849 0 0 0 -1.45347 0 0.83697 -0.57588 0 -2.66014 THR_15 -2.80986 0.20509 2.79631 -0.11299 0.06376 0.07165 1.28054 -1.41482 -0.01419 -0.14244 -0.33609 -0.55473 0 0 0 0 0 0 -0.02808 4e-05 0.05663 0 -0.53654 2.29215 -1.0874 -0.5755 0 -0.84647 GLU_16 -2.93816 0.23493 2.99265 -0.20971 0.03442 0.28735 1.30832 -1.30253 -0 -0 -2.41331 -0.40779 0 0 0 0 -0.77584 0 -0.00597 0.10583 0 3.05384 -0.04051 0 -2.7348 -0.24899 0 -3.06026 ALA_17 -3.76471 0.18048 1.99136 -0.02061 0 0 2.00859 -1.57028 -0 -0 -1.99106 -0.39143 0 0 0 0 0 0 0.06582 0 0 0 -0.52458 0 1.8394 -0.234 0 -2.41102 TRP_18 -4.15936 0.38721 1.42958 -0.78211 0.02372 0.30332 0.29307 -1.08941 -0 -0 -0.55106 -0.17674 0 0 0 0 0 0 -0.01774 0.05444 0 1.50115 -0.14112 0 1.6906 -0.23007 0 -1.46452 VAL_19 -5.62724 1.2304 0.78202 -0.25995 0.20128 0.05147 2.01105 -1.54416 -0 -0 -1.91261 -0.20687 0 0 0 0 0 0 0.24573 0.00809 0.54354 0 -0.595 0 1.9342 -0.25584 0 -3.39388 ARG_20 -4.07233 0.36847 2.45653 -0.53187 0.08399 0.29782 1.04346 -1.38187 -0 -0 -1.58331 0.47751 0 0 0 -0.52792 0 0 0.12378 0.19883 2.12836 0 0.07264 0 -1.2888 -0.12073 0 -2.25546 LEU_21 -5.24449 0.69411 3.02854 -0.664 0.47882 0.22262 1.96717 -1.8849 -0.00778 -0.12059 -2.46866 0.16685 0 0 0 0 0 0 0.1636 0.11456 0.91434 0 -0.10941 0 0.18072 0.23785 0 -2.33066 LEU_22 -2.91998 0.54563 2.56291 -0.45859 0.39955 0.07711 0.98406 -1.24529 -0 -0 -0.69603 0.13415 0 0 0 -0.52792 0 0 -0.1446 0.1698 0.05954 0 0.89381 0 0.18072 1.91657 0 1.93143 THR_23 -1.888 0.2296 1.84005 -0.12314 0.0583 0.07126 0.44334 -0.93795 -0.01102 -0.136 0.22199 -0.97035 0 0 0 0 0 0 -0.03516 0.00947 0.08937 0 -0.55918 2.30487 -1.0874 1.45188 0 0.97191 LYS_24 -3.89126 0.19253 5.54981 -0.37979 0.05865 0.17238 3.36227 -2.38324 -0 -0 -4.70488 0.12033 0 0 0 0 -0.89977 0 -0.02331 0.04869 1.93523 0 0.17123 0 -1.5107 -0.29799 0 -2.47982 THR_25 -2.73191 0.16982 1.40721 -0.12267 0.04972 0.09011 0.38121 -0.86473 -0.00323 -0.01541 -0.49417 -0.78214 0 0 0 0 0 0 0.00141 0.00357 0.61637 0 -0.1857 2.33611 -1.0874 -0.08923 0 -1.32107 ILE_26 -5.04669 0.64989 1.69891 -0.56941 0.68946 0.11964 1.90813 -1.60972 -0.00424 -0.01306 -1.67648 -0.04682 0 0 0 0 0 0 0.22689 0.05803 1.13085 0 -0.08694 0 0.73287 0.17608 0 -1.66263 ARG_27 -5.54289 0.52323 3.04082 -0.51433 0.07774 0.27776 1.20432 -1.703 -0.00803 -0.11666 -1.99755 0.55979 0 0 0 0 -0.77584 0 -0.0513 0.17492 1.89412 0 0.08265 0 -1.2888 0.1197 0 -4.04336 VAL_28 -6.87496 0.50642 1.96232 -0.28841 0.20049 0.06673 2.76029 -2.24402 -0.00424 -0.01306 -1.72595 -0.28301 0 0 0 0 0 0 0.07242 0.04306 0.15599 0 -0.42312 0 1.9342 -0.17561 0 -4.33047 THR_29 -3.45586 0.30032 1.72745 -0.12221 0.0625 0.07423 0.64909 -1.13607 -0.03484 -0.40963 0.13143 -0.94735 0 0 0 0 0 0 0.02988 0.05995 0.11784 0 -0.62955 2.33465 -1.0874 -0.21412 0 -2.54969 SER_30 -4.08323 0.21429 4.48245 -0.02772 0 0.06646 2.47877 -2.13177 -0.02682 -0.29297 -1.58244 -0.36166 0 0 0 -0.44367 0 0 -0.01364 0.09019 0.04826 0 -0.5359 0.61378 -0.77834 -0.27776 0 -2.56172 GLU_31 -3.79199 0.26466 3.28594 -0.46696 0.32008 1.47626 1.71514 -1.75953 -0.02452 -0.1138 -1.30729 -3.03974 0 0 0 0 0 0 -0.0525 0.21432 0 4.06425 -0.31982 0 -2.7348 -0.42453 0 -2.69484 GLU_32 -4.38538 0.222 5.39917 -0.33977 0.0754 0.40606 2.65379 -2.27731 -0.02452 -0.1138 -2.5174 -0.6096 0 0 0 0 -0.97472 0 0.0329 0.01797 0 3.3713 -0.19111 0 -2.7348 -0.37576 0 -2.3656 ILE_33 -7.30357 0.65205 4.76897 -0.51413 0.59332 0.10179 3.35648 -2.93208 -0 -0 -1.45783 0.0718 0 0 0 -0.44367 0 0 -0.01761 0.06299 0.61028 0 -0.41609 0 0.73287 0.02048 0 -2.11397 ALA_34 -5.20061 0.16741 3.32129 -0.02169 0 0 2.27693 -2.45602 -0 -0 -1.7864 -0.35951 0 0 0 0 0 0 -0.02991 0 0 0 -0.27694 0 1.8394 0.12992 0 -2.39613 LYS_35 -4.94796 0.27762 6.91168 -0.75629 0.45479 0.75438 3.57352 -2.9957 -0 -0 -4.03434 -0.22598 0 0 0 0 -0.85317 0 0.04434 0.2023 3.49951 0 0.02746 0 -1.5107 0.2206 0 0.64206 ARG_36 -5.44249 0.20275 6.61428 -0.63759 0.18518 0.35654 3.21615 -2.84125 -0 -0 -3.38561 0.25309 0 0 0 0 -0.97472 0 0.03355 0.05283 2.5006 0 -0.14064 0 -1.2888 0.14315 0 -1.15297 LEU_37 -7.67188 1.17719 3.92987 -0.72244 0.57718 0.3039 2.76719 -2.71606 -0 -0 -2.87184 0.13268 0 0 0 0 0 0 0.19138 0.06573 1.09634 0 -0.28841 0 0.18072 -0.14222 0 -3.99069 LEU_38 -9.45817 1.27151 5.85664 -0.72273 0.49417 0.30429 2.92144 -3.51631 -0 -0 -2.09732 0.14327 0 0 0 0 0 0 0.04632 0.21383 0.9207 0 -0.23005 0 0.18072 0.11063 0 -3.56106 ASP_39 -5.02277 0.12781 7.85772 -0.11291 0.02483 0.34845 3.69193 -3.33647 -0 -0 -5.20437 -0.23373 0 0 0 -0.55471 -1.2401 0 0.22252 0.05129 0 1.70498 0.24939 0 -2.3716 0.28284 0 -3.51489 GLU_40 -4.49182 0.3063 6.33974 -0.33399 0.07174 0.38692 3.12016 -2.78801 -0.00151 -0.00618 -3.17482 -0.53943 0 0 0 0 -0.89977 0 -0.03457 0.01535 0 3.73282 -0.15136 0 -2.7348 0.08005 0 -1.10317 TRP_41 -8.88546 0.96101 2.69987 -1.02258 0.09197 0.59048 2.09486 -2.36088 -0 -0 -0.99902 -0.42329 0 0 0 0 0 0 0.40239 0.161 0 2.56376 -0.24505 0 1.6906 0.12723 0 -2.55311 ARG_42 -5.42197 0.34083 5.71467 -0.67028 0.11042 0.46435 1.78324 -2.42797 -0 -0 -2.83826 0.45396 0 0 0 0 -0.38693 0 -0.03558 0.03103 1.65293 0 -0.02997 0 -1.2888 0.05874 0 -2.48958 THR:CtermProteinFull_43 -2.22303 0.25002 3.72137 -0.26831 0.32217 0.15784 1.70016 -1.53071 -0.00151 -0.00618 -1.28617 0.07016 0 0 0 -0.55471 0 0 0 0.10401 0.07106 0 0 2.28958 -1.0874 -0.11876 0 1.60961 #END_POSE_ENERGIES_TABLE start18_0186_0002.pdb score_per_res -2.62192 total_score -112.742
HEEH_KT_rd6_4322.pdb
ATOM 1 N SER A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA SER A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C SER A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O SER A 1 2.566 1.880 -0.997 1.00 0.00 O ATOM 5 CB SER A 1 1.980 -0.754 -1.207 1.00 0.00 C ATOM 6 OG SER A 1 1.582 -2.097 -1.171 1.00 0.00 O ATOM 7 1H SER A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 8 2H SER A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 9 3H SER A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 10 HA SER A 1 1.804 -0.509 0.900 1.00 0.00 H ATOM 11 1HB SER A 1 1.607 -0.286 -2.118 1.00 0.00 H ATOM 12 2HB SER A 1 3.067 -0.695 -1.231 1.00 0.00 H ATOM 13 HG SER A 1 1.972 -2.510 -1.945 1.00 0.00 H ATOM 14 N GLU A 2 1.850 2.111 1.124 1.00 0.00 N ATOM 15 CA GLU A 2 2.286 3.497 1.238 1.00 0.00 C ATOM 16 C GLU A 2 3.800 3.612 1.114 1.00 0.00 C ATOM 17 O GLU A 2 4.313 4.555 0.513 1.00 0.00 O ATOM 18 CB GLU A 2 1.827 4.091 2.572 1.00 0.00 C ATOM 19 CG GLU A 2 0.326 4.322 2.674 1.00 0.00 C ATOM 20 CD GLU A 2 -0.446 3.053 2.907 1.00 0.00 C ATOM 21 OE1 GLU A 2 0.169 2.025 3.061 1.00 0.00 O ATOM 22 OE2 GLU A 2 -1.653 3.111 2.930 1.00 0.00 O ATOM 23 H GLU A 2 1.416 1.665 1.919 1.00 0.00 H ATOM 24 HA GLU A 2 1.824 4.074 0.435 1.00 0.00 H ATOM 25 1HB GLU A 2 2.120 3.428 3.386 1.00 0.00 H ATOM 26 2HB GLU A 2 2.324 5.048 2.734 1.00 0.00 H ATOM 27 1HG GLU A 2 0.129 5.008 3.497 1.00 0.00 H ATOM 28 2HG GLU A 2 -0.023 4.790 1.755 1.00 0.00 H ATOM 29 N GLU A 3 4.509 2.645 1.687 1.00 0.00 N ATOM 30 CA GLU A 3 5.967 2.666 1.694 1.00 0.00 C ATOM 31 C GLU A 3 6.525 2.618 0.276 1.00 0.00 C ATOM 32 O GLU A 3 7.503 3.297 -0.040 1.00 0.00 O ATOM 33 CB GLU A 3 6.513 1.491 2.508 1.00 0.00 C ATOM 34 CG GLU A 3 6.186 1.549 3.993 1.00 0.00 C ATOM 35 CD GLU A 3 4.802 1.051 4.306 1.00 0.00 C ATOM 36 OE1 GLU A 3 4.120 0.639 3.399 1.00 0.00 O ATOM 37 OE2 GLU A 3 4.427 1.083 5.455 1.00 0.00 O ATOM 38 H GLU A 3 4.027 1.875 2.129 1.00 0.00 H ATOM 39 HA GLU A 3 6.297 3.591 2.168 1.00 0.00 H ATOM 40 1HB GLU A 3 6.113 0.557 2.113 1.00 0.00 H ATOM 41 2HB GLU A 3 7.598 1.451 2.406 1.00 0.00 H ATOM 42 1HG GLU A 3 6.909 0.943 4.538 1.00 0.00 H ATOM 43 2HG GLU A 3 6.283 2.578 4.336 1.00 0.00 H ATOM 44 N GLU A 4 5.899 1.812 -0.573 1.00 0.00 N ATOM 45 CA GLU A 4 6.308 1.702 -1.969 1.00 0.00 C ATOM 46 C GLU A 4 6.023 2.990 -2.730 1.00 0.00 C ATOM 47 O GLU A 4 6.844 3.446 -3.528 1.00 0.00 O ATOM 48 CB GLU A 4 5.592 0.530 -2.644 1.00 0.00 C ATOM 49 CG GLU A 4 6.078 0.225 -4.054 1.00 0.00 C ATOM 50 CD GLU A 4 5.412 -0.983 -4.653 1.00 0.00 C ATOM 51 OE1 GLU A 4 4.211 -0.976 -4.775 1.00 0.00 O ATOM 52 OE2 GLU A 4 6.106 -1.914 -4.988 1.00 0.00 O ATOM 53 H GLU A 4 5.118 1.261 -0.245 1.00 0.00 H ATOM 54 HA GLU A 4 7.381 1.507 -2.000 1.00 0.00 H ATOM 55 1HB GLU A 4 5.721 -0.370 -2.043 1.00 0.00 H ATOM 56 2HB GLU A 4 4.523 0.739 -2.696 1.00 0.00 H ATOM 57 1HG GLU A 4 5.880 1.087 -4.690 1.00 0.00 H ATOM 58 2HG GLU A 4 7.155 0.065 -4.029 1.00 0.00 H ATOM 59 N LEU A 5 4.857 3.575 -2.478 1.00 0.00 N ATOM 60 CA LEU A 5 4.472 4.824 -3.124 1.00 0.00 C ATOM 61 C LEU A 5 5.391 5.965 -2.712 1.00 0.00 C ATOM 62 O LEU A 5 5.697 6.850 -3.511 1.00 0.00 O ATOM 63 CB LEU A 5 3.021 5.175 -2.772 1.00 0.00 C ATOM 64 CG LEU A 5 1.946 4.293 -3.420 1.00 0.00 C ATOM 65 CD1 LEU A 5 0.601 4.560 -2.758 1.00 0.00 C ATOM 66 CD2 LEU A 5 1.887 4.579 -4.913 1.00 0.00 C ATOM 67 H LEU A 5 4.222 3.143 -1.823 1.00 0.00 H ATOM 68 HA LEU A 5 4.541 4.690 -4.205 1.00 0.00 H ATOM 69 1HB LEU A 5 2.899 5.107 -1.693 1.00 0.00 H ATOM 70 2HB LEU A 5 2.830 6.205 -3.074 1.00 0.00 H ATOM 71 HG LEU A 5 2.193 3.243 -3.261 1.00 0.00 H ATOM 72 1HD1 LEU A 5 -0.162 3.933 -3.218 1.00 0.00 H ATOM 73 2HD1 LEU A 5 0.667 4.329 -1.695 1.00 0.00 H ATOM 74 3HD1 LEU A 5 0.335 5.608 -2.886 1.00 0.00 H ATOM 75 1HD2 LEU A 5 1.124 3.950 -5.374 1.00 0.00 H ATOM 76 2HD2 LEU A 5 1.639 5.628 -5.074 1.00 0.00 H ATOM 77 3HD2 LEU A 5 2.856 4.362 -5.364 1.00 0.00 H ATOM 78 N LYS A 6 5.832 5.940 -1.458 1.00 0.00 N ATOM 79 CA LYS A 6 6.796 6.916 -0.965 1.00 0.00 C ATOM 80 C LYS A 6 8.106 6.835 -1.738 1.00 0.00 C ATOM 81 O LYS A 6 8.684 7.857 -2.109 1.00 0.00 O ATOM 82 CB LYS A 6 7.053 6.706 0.528 1.00 0.00 C ATOM 83 CG LYS A 6 5.931 7.196 1.434 1.00 0.00 C ATOM 84 CD LYS A 6 6.257 6.951 2.900 1.00 0.00 C ATOM 85 CE LYS A 6 5.122 7.407 3.804 1.00 0.00 C ATOM 86 NZ LYS A 6 4.937 8.883 3.764 1.00 0.00 N ATOM 87 H LYS A 6 5.490 5.226 -0.831 1.00 0.00 H ATOM 88 HA LYS A 6 6.375 7.913 -1.094 1.00 0.00 H ATOM 89 1HB LYS A 6 7.204 5.645 0.727 1.00 0.00 H ATOM 90 2HB LYS A 6 7.967 7.227 0.817 1.00 0.00 H ATOM 91 1HG LYS A 6 5.777 8.264 1.278 1.00 0.00 H ATOM 92 2HG LYS A 6 5.008 6.674 1.184 1.00 0.00 H ATOM 93 1HD LYS A 6 6.434 5.887 3.061 1.00 0.00 H ATOM 94 2HD LYS A 6 7.163 7.496 3.167 1.00 0.00 H ATOM 95 1HE LYS A 6 4.195 6.929 3.493 1.00 0.00 H ATOM 96 2HE LYS A 6 5.333 7.109 4.831 1.00 0.00 H ATOM 97 1HZ LYS A 6 4.177 9.145 4.376 1.00 0.00 H ATOM 98 2HZ LYS A 6 5.786 9.338 4.069 1.00 0.00 H ATOM 99 3HZ LYS A 6 4.722 9.170 2.820 1.00 0.00 H ATOM 100 N LYS A 7 8.571 5.614 -1.978 1.00 0.00 N ATOM 101 CA LYS A 7 9.781 5.395 -2.762 1.00 0.00 C ATOM 102 C LYS A 7 9.608 5.890 -4.193 1.00 0.00 C ATOM 103 O LYS A 7 10.515 6.497 -4.763 1.00 0.00 O ATOM 104 CB LYS A 7 10.159 3.913 -2.760 1.00 0.00 C ATOM 105 CG LYS A 7 10.682 3.399 -1.425 1.00 0.00 C ATOM 106 CD LYS A 7 10.992 1.911 -1.489 1.00 0.00 C ATOM 107 CE LYS A 7 11.487 1.390 -0.148 1.00 0.00 C ATOM 108 NZ LYS A 7 11.758 -0.073 -0.185 1.00 0.00 N ATOM 109 H LYS A 7 8.074 4.816 -1.609 1.00 0.00 H ATOM 110 HA LYS A 7 10.599 5.947 -2.297 1.00 0.00 H ATOM 111 1HB LYS A 7 9.289 3.315 -3.031 1.00 0.00 H ATOM 112 2HB LYS A 7 10.928 3.733 -3.512 1.00 0.00 H ATOM 113 1HG LYS A 7 11.591 3.939 -1.158 1.00 0.00 H ATOM 114 2HG LYS A 7 9.936 3.574 -0.651 1.00 0.00 H ATOM 115 1HD LYS A 7 10.091 1.364 -1.772 1.00 0.00 H ATOM 116 2HD LYS A 7 11.758 1.730 -2.243 1.00 0.00 H ATOM 117 1HE LYS A 7 12.403 1.910 0.128 1.00 0.00 H ATOM 118 2HE LYS A 7 10.738 1.588 0.619 1.00 0.00 H ATOM 119 1HZ LYS A 7 12.083 -0.379 0.721 1.00 0.00 H ATOM 120 2HZ LYS A 7 10.909 -0.568 -0.422 1.00 0.00 H ATOM 121 3HZ LYS A 7 12.465 -0.267 -0.879 1.00 0.00 H ATOM 122 N ILE A 8 8.439 5.629 -4.767 1.00 0.00 N ATOM 123 CA ILE A 8 8.118 6.110 -6.105 1.00 0.00 C ATOM 124 C ILE A 8 8.090 7.632 -6.151 1.00 0.00 C ATOM 125 O ILE A 8 8.621 8.244 -7.078 1.00 0.00 O ATOM 126 CB ILE A 8 6.762 5.556 -6.577 1.00 0.00 C ATOM 127 CG1 ILE A 8 6.849 4.043 -6.794 1.00 0.00 C ATOM 128 CG2 ILE A 8 6.316 6.256 -7.851 1.00 0.00 C ATOM 129 CD1 ILE A 8 5.504 3.367 -6.932 1.00 0.00 C ATOM 130 H ILE A 8 7.755 5.083 -4.263 1.00 0.00 H ATOM 131 HA ILE A 8 8.884 5.753 -6.793 1.00 0.00 H ATOM 132 HB ILE A 8 6.013 5.720 -5.802 1.00 0.00 H ATOM 133 1HG1 ILE A 8 7.428 3.838 -7.694 1.00 0.00 H ATOM 134 2HG1 ILE A 8 7.376 3.585 -5.957 1.00 0.00 H ATOM 135 1HG2 ILE A 8 5.356 5.851 -8.171 1.00 0.00 H ATOM 136 2HG2 ILE A 8 6.215 7.324 -7.664 1.00 0.00 H ATOM 137 3HG2 ILE A 8 7.057 6.093 -8.634 1.00 0.00 H ATOM 138 1HD1 ILE A 8 5.649 2.297 -7.083 1.00 0.00 H ATOM 139 2HD1 ILE A 8 4.920 3.530 -6.026 1.00 0.00 H ATOM 140 3HD1 ILE A 8 4.973 3.785 -7.786 1.00 0.00 H ATOM 141 N ALA A 9 7.466 8.238 -5.146 1.00 0.00 N ATOM 142 CA ALA A 9 7.395 9.691 -5.053 1.00 0.00 C ATOM 143 C ALA A 9 8.788 10.310 -5.012 1.00 0.00 C ATOM 144 O ALA A 9 9.049 11.318 -5.669 1.00 0.00 O ATOM 145 CB ALA A 9 6.597 10.105 -3.826 1.00 0.00 C ATOM 146 H ALA A 9 7.031 7.678 -4.428 1.00 0.00 H ATOM 147 HA ALA A 9 6.870 10.069 -5.932 1.00 0.00 H ATOM 148 1HB ALA A 9 6.552 11.193 -3.770 1.00 0.00 H ATOM 149 2HB ALA A 9 5.585 9.704 -3.897 1.00 0.00 H ATOM 150 3HB ALA A 9 7.078 9.716 -2.930 1.00 0.00 H ATOM 151 N LYS A 10 9.678 9.698 -4.239 1.00 0.00 N ATOM 152 CA LYS A 10 11.045 10.187 -4.111 1.00 0.00 C ATOM 153 C LYS A 10 11.760 10.186 -5.456 1.00 0.00 C ATOM 154 O LYS A 10 12.433 11.153 -5.814 1.00 0.00 O ATOM 155 CB LYS A 10 11.823 9.343 -3.101 1.00 0.00 C ATOM 156 CG LYS A 10 13.283 9.743 -2.938 1.00 0.00 C ATOM 157 CD LYS A 10 13.413 11.197 -2.510 1.00 0.00 C ATOM 158 CE LYS A 10 14.821 11.509 -2.025 1.00 0.00 C ATOM 159 NZ LYS A 10 15.831 11.350 -3.106 1.00 0.00 N ATOM 160 H LYS A 10 9.400 8.873 -3.726 1.00 0.00 H ATOM 161 HA LYS A 10 11.013 11.211 -3.733 1.00 0.00 H ATOM 162 1HB LYS A 10 11.346 9.413 -2.123 1.00 0.00 H ATOM 163 2HB LYS A 10 11.795 8.296 -3.404 1.00 0.00 H ATOM 164 1HG LYS A 10 13.754 9.109 -2.186 1.00 0.00 H ATOM 165 2HG LYS A 10 13.806 9.604 -3.884 1.00 0.00 H ATOM 166 1HD LYS A 10 13.176 11.848 -3.353 1.00 0.00 H ATOM 167 2HD LYS A 10 12.708 11.404 -1.705 1.00 0.00 H ATOM 168 1HE LYS A 10 14.860 12.533 -1.656 1.00 0.00 H ATOM 169 2HE LYS A 10 15.079 10.840 -1.204 1.00 0.00 H ATOM 170 1HZ LYS A 10 16.749 11.565 -2.745 1.00 0.00 H ATOM 171 2HZ LYS A 10 15.816 10.398 -3.444 1.00 0.00 H ATOM 172 3HZ LYS A 10 15.613 11.979 -3.866 1.00 0.00 H ATOM 173 N LEU A 11 11.609 9.094 -6.199 1.00 0.00 N ATOM 174 CA LEU A 11 12.222 8.973 -7.517 1.00 0.00 C ATOM 175 C LEU A 11 11.688 10.033 -8.472 1.00 0.00 C ATOM 176 O LEU A 11 12.447 10.642 -9.225 1.00 0.00 O ATOM 177 CB LEU A 11 11.962 7.577 -8.096 1.00 0.00 C ATOM 178 CG LEU A 11 12.727 6.427 -7.430 1.00 0.00 C ATOM 179 CD1 LEU A 11 12.148 5.096 -7.891 1.00 0.00 C ATOM 180 CD2 LEU A 11 14.204 6.531 -7.779 1.00 0.00 C ATOM 181 H LEU A 11 11.055 8.329 -5.842 1.00 0.00 H ATOM 182 HA LEU A 11 13.299 9.108 -7.411 1.00 0.00 H ATOM 183 1HB LEU A 11 10.898 7.359 -8.013 1.00 0.00 H ATOM 184 2HB LEU A 11 12.228 7.584 -9.153 1.00 0.00 H ATOM 185 HG LEU A 11 12.605 6.487 -6.348 1.00 0.00 H ATOM 186 1HD1 LEU A 11 12.692 4.279 -7.417 1.00 0.00 H ATOM 187 2HD1 LEU A 11 11.096 5.041 -7.612 1.00 0.00 H ATOM 188 3HD1 LEU A 11 12.241 5.015 -8.973 1.00 0.00 H ATOM 189 1HD2 LEU A 11 14.749 5.714 -7.304 1.00 0.00 H ATOM 190 2HD2 LEU A 11 14.328 6.470 -8.860 1.00 0.00 H ATOM 191 3HD2 LEU A 11 14.596 7.483 -7.422 1.00 0.00 H ATOM 192 N LEU A 12 10.378 10.250 -8.435 1.00 0.00 N ATOM 193 CA LEU A 12 9.747 11.275 -9.259 1.00 0.00 C ATOM 194 C LEU A 12 10.257 12.663 -8.897 1.00 0.00 C ATOM 195 O LEU A 12 10.484 13.499 -9.771 1.00 0.00 O ATOM 196 CB LEU A 12 8.223 11.224 -9.093 1.00 0.00 C ATOM 197 CG LEU A 12 7.533 9.978 -9.663 1.00 0.00 C ATOM 198 CD1 LEU A 12 6.088 9.934 -9.187 1.00 0.00 C ATOM 199 CD2 LEU A 12 7.608 10.005 -11.182 1.00 0.00 C ATOM 200 H LEU A 12 9.803 9.691 -7.821 1.00 0.00 H ATOM 201 HA LEU A 12 9.988 11.075 -10.303 1.00 0.00 H ATOM 202 1HB LEU A 12 7.987 11.277 -8.032 1.00 0.00 H ATOM 203 2HB LEU A 12 7.791 12.095 -9.585 1.00 0.00 H ATOM 204 HG LEU A 12 8.034 9.083 -9.291 1.00 0.00 H ATOM 205 1HD1 LEU A 12 5.598 9.048 -9.591 1.00 0.00 H ATOM 206 2HD1 LEU A 12 6.065 9.895 -8.098 1.00 0.00 H ATOM 207 3HD1 LEU A 12 5.565 10.826 -9.530 1.00 0.00 H ATOM 208 1HD2 LEU A 12 7.119 9.119 -11.587 1.00 0.00 H ATOM 209 2HD2 LEU A 12 7.107 10.899 -11.555 1.00 0.00 H ATOM 210 3HD2 LEU A 12 8.652 10.018 -11.495 1.00 0.00 H ATOM 211 N LEU A 13 10.434 12.904 -7.602 1.00 0.00 N ATOM 212 CA LEU A 13 10.972 14.172 -7.125 1.00 0.00 C ATOM 213 C LEU A 13 12.421 14.353 -7.559 1.00 0.00 C ATOM 214 O LEU A 13 12.877 15.474 -7.783 1.00 0.00 O ATOM 215 CB LEU A 13 10.877 14.247 -5.596 1.00 0.00 C ATOM 216 CG LEU A 13 9.460 14.380 -5.023 1.00 0.00 C ATOM 217 CD1 LEU A 13 9.488 14.103 -3.526 1.00 0.00 C ATOM 218 CD2 LEU A 13 8.924 15.774 -5.312 1.00 0.00 C ATOM 219 H LEU A 13 10.189 12.190 -6.930 1.00 0.00 H ATOM 220 HA LEU A 13 10.377 14.982 -7.549 1.00 0.00 H ATOM 221 1HB LEU A 13 11.321 13.346 -5.175 1.00 0.00 H ATOM 222 2HB LEU A 13 11.454 15.105 -5.253 1.00 0.00 H ATOM 223 HG LEU A 13 8.809 13.638 -5.487 1.00 0.00 H ATOM 224 1HD1 LEU A 13 8.481 14.197 -3.120 1.00 0.00 H ATOM 225 2HD1 LEU A 13 9.857 13.092 -3.350 1.00 0.00 H ATOM 226 3HD1 LEU A 13 10.145 14.820 -3.036 1.00 0.00 H ATOM 227 1HD2 LEU A 13 7.916 15.868 -4.905 1.00 0.00 H ATOM 228 2HD2 LEU A 13 9.573 16.517 -4.847 1.00 0.00 H ATOM 229 3HD2 LEU A 13 8.898 15.938 -6.389 1.00 0.00 H ATOM 230 N ASP A 14 13.142 13.242 -7.675 1.00 0.00 N ATOM 231 CA ASP A 14 14.539 13.275 -8.090 1.00 0.00 C ATOM 232 C ASP A 14 14.668 13.647 -9.562 1.00 0.00 C ATOM 233 O ASP A 14 15.770 13.871 -10.061 1.00 0.00 O ATOM 234 CB ASP A 14 15.205 11.920 -7.838 1.00 0.00 C ATOM 235 CG ASP A 14 15.525 11.681 -6.369 1.00 0.00 C ATOM 236 OD1 ASP A 14 15.529 12.628 -5.620 1.00 0.00 O ATOM 237 OD2 ASP A 14 15.762 10.552 -6.010 1.00 0.00 O ATOM 238 H ASP A 14 12.711 12.352 -7.470 1.00 0.00 H ATOM 239 HA ASP A 14 15.060 14.026 -7.493 1.00 0.00 H ATOM 240 1HB ASP A 14 14.550 11.122 -8.188 1.00 0.00 H ATOM 241 2HB ASP A 14 16.131 11.858 -8.411 1.00 0.00 H ATOM 242 N GLY A 15 13.534 13.709 -10.252 1.00 0.00 N ATOM 243 CA GLY A 15 13.512 14.108 -11.655 1.00 0.00 C ATOM 244 C GLY A 15 13.401 12.897 -12.571 1.00 0.00 C ATOM 245 O GLY A 15 13.646 12.992 -13.773 1.00 0.00 O ATOM 246 H GLY A 15 12.665 13.474 -9.793 1.00 0.00 H ATOM 247 1HA GLY A 15 12.671 14.780 -11.828 1.00 0.00 H ATOM 248 2HA GLY A 15 14.419 14.665 -11.888 1.00 0.00 H ATOM 249 N VAL A 16 13.030 11.758 -11.995 1.00 0.00 N ATOM 250 CA VAL A 16 12.804 10.545 -12.772 1.00 0.00 C ATOM 251 C VAL A 16 11.485 10.615 -13.531 1.00 0.00 C ATOM 252 O VAL A 16 10.441 10.925 -12.955 1.00 0.00 O ATOM 253 CB VAL A 16 12.797 9.313 -11.848 1.00 0.00 C ATOM 254 CG1 VAL A 16 12.452 8.058 -12.636 1.00 0.00 C ATOM 255 CG2 VAL A 16 14.149 9.168 -11.167 1.00 0.00 C ATOM 256 H VAL A 16 12.901 11.733 -10.993 1.00 0.00 H ATOM 257 HA VAL A 16 13.616 10.439 -13.491 1.00 0.00 H ATOM 258 HB VAL A 16 12.021 9.441 -11.093 1.00 0.00 H ATOM 259 1HG1 VAL A 16 12.451 7.197 -11.968 1.00 0.00 H ATOM 260 2HG1 VAL A 16 11.465 8.170 -13.085 1.00 0.00 H ATOM 261 3HG1 VAL A 16 13.193 7.907 -13.421 1.00 0.00 H ATOM 262 1HG2 VAL A 16 14.137 8.295 -10.515 1.00 0.00 H ATOM 263 2HG2 VAL A 16 14.926 9.046 -11.923 1.00 0.00 H ATOM 264 3HG2 VAL A 16 14.356 10.060 -10.576 1.00 0.00 H ATOM 265 N ASP A 17 11.537 10.327 -14.826 1.00 0.00 N ATOM 266 CA ASP A 17 10.361 10.426 -15.682 1.00 0.00 C ATOM 267 C ASP A 17 9.418 9.250 -15.462 1.00 0.00 C ATOM 268 O ASP A 17 8.214 9.434 -15.280 1.00 0.00 O ATOM 269 CB ASP A 17 10.774 10.488 -17.155 1.00 0.00 C ATOM 270 CG ASP A 17 11.699 9.348 -17.559 1.00 0.00 C ATOM 271 OD1 ASP A 17 12.274 8.738 -16.689 1.00 0.00 O ATOM 272 OD2 ASP A 17 11.823 9.099 -18.735 1.00 0.00 O ATOM 273 H ASP A 17 12.414 10.029 -15.230 1.00 0.00 H ATOM 274 HA ASP A 17 9.833 11.349 -15.439 1.00 0.00 H ATOM 275 1HB ASP A 17 9.884 10.454 -17.784 1.00 0.00 H ATOM 276 2HB ASP A 17 11.279 11.434 -17.352 1.00 0.00 H ATOM 277 N GLU A 18 9.972 8.043 -15.480 1.00 0.00 N ATOM 278 CA GLU A 18 9.183 6.834 -15.270 1.00 0.00 C ATOM 279 C GLU A 18 9.836 5.922 -14.241 1.00 0.00 C ATOM 280 O GLU A 18 11.033 5.645 -14.314 1.00 0.00 O ATOM 281 CB GLU A 18 9.000 6.081 -16.590 1.00 0.00 C ATOM 282 CG GLU A 18 8.176 4.806 -16.477 1.00 0.00 C ATOM 283 CD GLU A 18 7.972 4.122 -17.800 1.00 0.00 C ATOM 284 OE1 GLU A 18 7.227 4.631 -18.602 1.00 0.00 O ATOM 285 OE2 GLU A 18 8.563 3.088 -18.008 1.00 0.00 O ATOM 286 H GLU A 18 10.966 7.960 -15.642 1.00 0.00 H ATOM 287 HA GLU A 18 8.197 7.125 -14.905 1.00 0.00 H ATOM 288 1HB GLU A 18 8.512 6.732 -17.315 1.00 0.00 H ATOM 289 2HB GLU A 18 9.976 5.813 -16.995 1.00 0.00 H ATOM 290 1HG GLU A 18 8.681 4.118 -15.799 1.00 0.00 H ATOM 291 2HG GLU A 18 7.206 5.050 -16.046 1.00 0.00 H ATOM 292 N VAL A 19 9.043 5.456 -13.282 1.00 0.00 N ATOM 293 CA VAL A 19 9.504 4.459 -12.322 1.00 0.00 C ATOM 294 C VAL A 19 8.910 3.089 -12.625 1.00 0.00 C ATOM 295 O VAL A 19 7.693 2.911 -12.603 1.00 0.00 O ATOM 296 CB VAL A 19 9.120 4.877 -10.891 1.00 0.00 C ATOM 297 CG1 VAL A 19 9.556 3.816 -9.891 1.00 0.00 C ATOM 298 CG2 VAL A 19 9.747 6.222 -10.558 1.00 0.00 C ATOM 299 H VAL A 19 8.096 5.802 -13.216 1.00 0.00 H ATOM 300 HA VAL A 19 10.591 4.391 -12.389 1.00 0.00 H ATOM 301 HB VAL A 19 8.035 4.955 -10.823 1.00 0.00 H ATOM 302 1HG1 VAL A 19 9.277 4.128 -8.884 1.00 0.00 H ATOM 303 2HG1 VAL A 19 9.067 2.871 -10.127 1.00 0.00 H ATOM 304 3HG1 VAL A 19 10.638 3.690 -9.944 1.00 0.00 H ATOM 305 1HG2 VAL A 19 9.471 6.512 -9.545 1.00 0.00 H ATOM 306 2HG2 VAL A 19 10.832 6.146 -10.631 1.00 0.00 H ATOM 307 3HG2 VAL A 19 9.389 6.975 -11.261 1.00 0.00 H ATOM 308 N LEU A 20 9.778 2.123 -12.905 1.00 0.00 N ATOM 309 CA LEU A 20 9.339 0.773 -13.242 1.00 0.00 C ATOM 310 C LEU A 20 9.464 -0.160 -12.045 1.00 0.00 C ATOM 311 O LEU A 20 10.569 -0.517 -11.636 1.00 0.00 O ATOM 312 CB LEU A 20 10.163 0.225 -14.414 1.00 0.00 C ATOM 313 CG LEU A 20 9.844 -1.215 -14.835 1.00 0.00 C ATOM 314 CD1 LEU A 20 8.403 -1.296 -15.319 1.00 0.00 C ATOM 315 CD2 LEU A 20 10.812 -1.652 -15.925 1.00 0.00 C ATOM 316 H LEU A 20 10.767 2.328 -12.886 1.00 0.00 H ATOM 317 HA LEU A 20 8.293 0.815 -13.545 1.00 0.00 H ATOM 318 1HB LEU A 20 10.005 0.866 -15.280 1.00 0.00 H ATOM 319 2HB LEU A 20 11.219 0.266 -14.146 1.00 0.00 H ATOM 320 HG LEU A 20 9.945 -1.877 -13.974 1.00 0.00 H ATOM 321 1HD1 LEU A 20 8.176 -2.320 -15.618 1.00 0.00 H ATOM 322 2HD1 LEU A 20 7.731 -0.997 -14.514 1.00 0.00 H ATOM 323 3HD1 LEU A 20 8.267 -0.631 -16.171 1.00 0.00 H ATOM 324 1HD2 LEU A 20 10.586 -2.676 -16.223 1.00 0.00 H ATOM 325 2HD2 LEU A 20 10.711 -0.992 -16.787 1.00 0.00 H ATOM 326 3HD2 LEU A 20 11.833 -1.602 -15.546 1.00 0.00 H ATOM 327 N VAL A 21 8.324 -0.553 -11.486 1.00 0.00 N ATOM 328 CA VAL A 21 8.305 -1.388 -10.291 1.00 0.00 C ATOM 329 C VAL A 21 7.419 -2.612 -10.488 1.00 0.00 C ATOM 330 O VAL A 21 6.210 -2.490 -10.686 1.00 0.00 O ATOM 331 CB VAL A 21 7.798 -0.580 -9.082 1.00 0.00 C ATOM 332 CG1 VAL A 21 6.539 0.192 -9.448 1.00 0.00 C ATOM 333 CG2 VAL A 21 7.537 -1.512 -7.909 1.00 0.00 C ATOM 334 H VAL A 21 7.449 -0.266 -11.900 1.00 0.00 H ATOM 335 HA VAL A 21 9.322 -1.723 -10.086 1.00 0.00 H ATOM 336 HB VAL A 21 8.555 0.153 -8.803 1.00 0.00 H ATOM 337 1HG1 VAL A 21 6.195 0.758 -8.582 1.00 0.00 H ATOM 338 2HG1 VAL A 21 6.759 0.879 -10.266 1.00 0.00 H ATOM 339 3HG1 VAL A 21 5.761 -0.505 -9.758 1.00 0.00 H ATOM 340 1HG2 VAL A 21 7.179 -0.933 -7.057 1.00 0.00 H ATOM 341 2HG2 VAL A 21 6.784 -2.248 -8.190 1.00 0.00 H ATOM 342 3HG2 VAL A 21 8.461 -2.023 -7.637 1.00 0.00 H ATOM 343 N LEU A 22 8.027 -3.791 -10.433 1.00 0.00 N ATOM 344 CA LEU A 22 7.295 -5.041 -10.600 1.00 0.00 C ATOM 345 C LEU A 22 6.506 -5.046 -11.904 1.00 0.00 C ATOM 346 O LEU A 22 5.435 -5.647 -11.990 1.00 0.00 O ATOM 347 CB LEU A 22 6.342 -5.258 -9.418 1.00 0.00 C ATOM 348 CG LEU A 22 6.998 -5.286 -8.031 1.00 0.00 C ATOM 349 CD1 LEU A 22 5.918 -5.356 -6.959 1.00 0.00 C ATOM 350 CD2 LEU A 22 7.939 -6.477 -7.938 1.00 0.00 C ATOM 351 H LEU A 22 9.025 -3.824 -10.272 1.00 0.00 H ATOM 352 HA LEU A 22 8.011 -5.861 -10.628 1.00 0.00 H ATOM 353 1HB LEU A 22 5.601 -4.460 -9.417 1.00 0.00 H ATOM 354 2HB LEU A 22 5.824 -6.207 -9.558 1.00 0.00 H ATOM 355 HG LEU A 22 7.561 -4.365 -7.876 1.00 0.00 H ATOM 356 1HD1 LEU A 22 6.384 -5.376 -5.974 1.00 0.00 H ATOM 357 2HD1 LEU A 22 5.271 -4.482 -7.037 1.00 0.00 H ATOM 358 3HD1 LEU A 22 5.326 -6.260 -7.098 1.00 0.00 H ATOM 359 1HD2 LEU A 22 8.406 -6.496 -6.953 1.00 0.00 H ATOM 360 2HD2 LEU A 22 7.376 -7.398 -8.091 1.00 0.00 H ATOM 361 3HD2 LEU A 22 8.711 -6.392 -8.704 1.00 0.00 H ATOM 362 N GLY A 23 7.043 -4.375 -12.916 1.00 0.00 N ATOM 363 CA GLY A 23 6.451 -4.396 -14.249 1.00 0.00 C ATOM 364 C GLY A 23 5.504 -3.219 -14.449 1.00 0.00 C ATOM 365 O GLY A 23 5.059 -2.950 -15.564 1.00 0.00 O ATOM 366 H GLY A 23 7.883 -3.836 -12.760 1.00 0.00 H ATOM 367 1HA GLY A 23 7.241 -4.362 -14.999 1.00 0.00 H ATOM 368 2HA GLY A 23 5.910 -5.331 -14.392 1.00 0.00 H ATOM 369 N ARG A 24 5.197 -2.521 -13.360 1.00 0.00 N ATOM 370 CA ARG A 24 4.285 -1.385 -13.410 1.00 0.00 C ATOM 371 C ARG A 24 5.033 -0.093 -13.714 1.00 0.00 C ATOM 372 O ARG A 24 6.064 0.198 -13.107 1.00 0.00 O ATOM 373 CB ARG A 24 3.540 -1.237 -12.091 1.00 0.00 C ATOM 374 CG ARG A 24 2.602 -2.386 -11.756 1.00 0.00 C ATOM 375 CD ARG A 24 2.002 -2.228 -10.406 1.00 0.00 C ATOM 376 NE ARG A 24 3.001 -2.332 -9.353 1.00 0.00 N ATOM 377 CZ ARG A 24 2.812 -1.941 -8.078 1.00 0.00 C ATOM 378 NH1 ARG A 24 1.659 -1.424 -7.713 1.00 0.00 N ATOM 379 NH2 ARG A 24 3.784 -2.078 -7.194 1.00 0.00 N ATOM 380 H ARG A 24 5.606 -2.786 -12.475 1.00 0.00 H ATOM 381 HA ARG A 24 3.556 -1.561 -14.200 1.00 0.00 H ATOM 382 1HB ARG A 24 4.257 -1.149 -11.276 1.00 0.00 H ATOM 383 2HB ARG A 24 2.949 -0.322 -12.108 1.00 0.00 H ATOM 384 1HG ARG A 24 1.794 -2.421 -12.487 1.00 0.00 H ATOM 385 2HG ARG A 24 3.154 -3.326 -11.778 1.00 0.00 H ATOM 386 1HD ARG A 24 1.528 -1.250 -10.330 1.00 0.00 H ATOM 387 2HD ARG A 24 1.257 -3.006 -10.246 1.00 0.00 H ATOM 388 HE ARG A 24 3.900 -2.725 -9.596 1.00 0.00 H ATOM 389 1HH1 ARG A 24 0.916 -1.320 -8.389 1.00 0.00 H ATOM 390 2HH1 ARG A 24 1.518 -1.131 -6.757 1.00 0.00 H ATOM 391 1HH2 ARG A 24 4.670 -2.475 -7.475 1.00 0.00 H ATOM 392 2HH2 ARG A 24 3.643 -1.785 -6.239 1.00 0.00 H ATOM 393 N ARG A 25 4.507 0.681 -14.658 1.00 0.00 N ATOM 394 CA ARG A 25 5.162 1.907 -15.097 1.00 0.00 C ATOM 395 C ARG A 25 4.481 3.136 -14.512 1.00 0.00 C ATOM 396 O ARG A 25 3.369 3.488 -14.905 1.00 0.00 O ATOM 397 CB ARG A 25 5.157 2.003 -16.616 1.00 0.00 C ATOM 398 CG ARG A 25 5.935 0.909 -17.329 1.00 0.00 C ATOM 399 CD ARG A 25 5.816 1.023 -18.805 1.00 0.00 C ATOM 400 NE ARG A 25 6.363 -0.140 -19.485 1.00 0.00 N ATOM 401 CZ ARG A 25 7.660 -0.291 -19.817 1.00 0.00 C ATOM 402 NH1 ARG A 25 8.528 0.653 -19.526 1.00 0.00 N ATOM 403 NH2 ARG A 25 8.060 -1.388 -20.435 1.00 0.00 N ATOM 404 H ARG A 25 3.630 0.412 -15.082 1.00 0.00 H ATOM 405 HA ARG A 25 6.198 1.886 -14.757 1.00 0.00 H ATOM 406 1HB ARG A 25 4.130 1.967 -16.978 1.00 0.00 H ATOM 407 2HB ARG A 25 5.578 2.961 -16.921 1.00 0.00 H ATOM 408 1HG ARG A 25 6.990 0.982 -17.064 1.00 0.00 H ATOM 409 2HG ARG A 25 5.552 -0.066 -17.028 1.00 0.00 H ATOM 410 1HD ARG A 25 4.765 1.114 -19.079 1.00 0.00 H ATOM 411 2HD ARG A 25 6.357 1.904 -19.147 1.00 0.00 H ATOM 412 HE ARG A 25 5.726 -0.887 -19.726 1.00 0.00 H ATOM 413 1HH1 ARG A 25 8.222 1.492 -19.053 1.00 0.00 H ATOM 414 2HH1 ARG A 25 9.500 0.539 -19.775 1.00 0.00 H ATOM 415 1HH2 ARG A 25 7.393 -2.114 -20.659 1.00 0.00 H ATOM 416 2HH2 ARG A 25 9.032 -1.502 -20.684 1.00 0.00 H ATOM 417 N PHE A 26 5.154 3.788 -13.570 1.00 0.00 N ATOM 418 CA PHE A 26 4.647 5.021 -12.978 1.00 0.00 C ATOM 419 C PHE A 26 5.301 6.244 -13.607 1.00 0.00 C ATOM 420 O PHE A 26 6.463 6.547 -13.334 1.00 0.00 O ATOM 421 CB PHE A 26 4.889 5.027 -11.468 1.00 0.00 C ATOM 422 CG PHE A 26 4.020 4.063 -10.711 1.00 0.00 C ATOM 423 CD1 PHE A 26 4.314 2.708 -10.695 1.00 0.00 C ATOM 424 CD2 PHE A 26 2.908 4.509 -10.014 1.00 0.00 C ATOM 425 CE1 PHE A 26 3.515 1.820 -9.999 1.00 0.00 C ATOM 426 CE2 PHE A 26 2.108 3.625 -9.316 1.00 0.00 C ATOM 427 CZ PHE A 26 2.413 2.278 -9.310 1.00 0.00 C ATOM 428 H PHE A 26 6.041 3.420 -13.255 1.00 0.00 H ATOM 429 HA PHE A 26 3.571 5.071 -13.154 1.00 0.00 H ATOM 430 1HB PHE A 26 5.930 4.779 -11.265 1.00 0.00 H ATOM 431 2HB PHE A 26 4.709 6.027 -11.075 1.00 0.00 H ATOM 432 HD1 PHE A 26 5.186 2.346 -11.240 1.00 0.00 H ATOM 433 HD2 PHE A 26 2.667 5.573 -10.020 1.00 0.00 H ATOM 434 HE1 PHE A 26 3.757 0.758 -9.996 1.00 0.00 H ATOM 435 HE2 PHE A 26 1.237 3.988 -8.772 1.00 0.00 H ATOM 436 HZ PHE A 26 1.782 1.579 -8.762 1.00 0.00 H ATOM 437 N ARG A 27 4.551 6.943 -14.452 1.00 0.00 N ATOM 438 CA ARG A 27 5.112 8.004 -15.277 1.00 0.00 C ATOM 439 C ARG A 27 4.513 9.358 -14.918 1.00 0.00 C ATOM 440 O ARG A 27 3.326 9.460 -14.610 1.00 0.00 O ATOM 441 CB ARG A 27 4.868 7.720 -16.752 1.00 0.00 C ATOM 442 CG ARG A 27 5.655 8.599 -17.712 1.00 0.00 C ATOM 443 CD ARG A 27 5.316 8.307 -19.128 1.00 0.00 C ATOM 444 NE ARG A 27 5.785 6.994 -19.539 1.00 0.00 N ATOM 445 CZ ARG A 27 5.564 6.447 -20.750 1.00 0.00 C ATOM 446 NH1 ARG A 27 4.881 7.110 -21.656 1.00 0.00 N ATOM 447 NH2 ARG A 27 6.035 5.244 -21.027 1.00 0.00 N ATOM 448 H ARG A 27 3.565 6.734 -14.522 1.00 0.00 H ATOM 449 HA ARG A 27 6.189 8.043 -15.108 1.00 0.00 H ATOM 450 1HB ARG A 27 5.123 6.684 -16.970 1.00 0.00 H ATOM 451 2HB ARG A 27 3.810 7.851 -16.978 1.00 0.00 H ATOM 452 1HG ARG A 27 5.429 9.647 -17.514 1.00 0.00 H ATOM 453 2HG ARG A 27 6.723 8.426 -17.572 1.00 0.00 H ATOM 454 1HD ARG A 27 4.234 8.338 -19.256 1.00 0.00 H ATOM 455 2HD ARG A 27 5.779 9.053 -19.774 1.00 0.00 H ATOM 456 HE ARG A 27 6.315 6.454 -18.868 1.00 0.00 H ATOM 457 1HH1 ARG A 27 4.521 8.030 -21.444 1.00 0.00 H ATOM 458 2HH1 ARG A 27 4.715 6.700 -22.564 1.00 0.00 H ATOM 459 1HH2 ARG A 27 6.561 4.733 -20.330 1.00 0.00 H ATOM 460 2HH2 ARG A 27 5.869 4.834 -21.934 1.00 0.00 H ATOM 461 N TRP A 28 5.342 10.396 -14.959 1.00 0.00 N ATOM 462 CA TRP A 28 4.906 11.739 -14.594 1.00 0.00 C ATOM 463 C TRP A 28 3.730 12.188 -15.451 1.00 0.00 C ATOM 464 O TRP A 28 2.946 13.046 -15.045 1.00 0.00 O ATOM 465 CB TRP A 28 6.059 12.734 -14.744 1.00 0.00 C ATOM 466 CG TRP A 28 6.418 13.023 -16.170 1.00 0.00 C ATOM 467 CD1 TRP A 28 7.340 12.365 -16.928 1.00 0.00 C ATOM 468 CD2 TRP A 28 5.860 14.053 -17.021 1.00 0.00 C ATOM 469 NE1 TRP A 28 7.395 12.913 -18.186 1.00 0.00 N ATOM 470 CE2 TRP A 28 6.495 13.946 -18.261 1.00 0.00 C ATOM 471 CE3 TRP A 28 4.887 15.042 -16.833 1.00 0.00 C ATOM 472 CZ2 TRP A 28 6.193 14.792 -19.316 1.00 0.00 C ATOM 473 CZ3 TRP A 28 4.583 15.890 -17.892 1.00 0.00 C ATOM 474 CH2 TRP A 28 5.219 15.767 -19.101 1.00 0.00 C ATOM 475 H TRP A 28 6.298 10.251 -15.250 1.00 0.00 H ATOM 476 HA TRP A 28 4.595 11.730 -13.549 1.00 0.00 H ATOM 477 1HB TRP A 28 5.794 13.674 -14.259 1.00 0.00 H ATOM 478 2HB TRP A 28 6.943 12.344 -14.240 1.00 0.00 H ATOM 479 HD1 TRP A 28 7.945 11.528 -16.585 1.00 0.00 H ATOM 480 HE1 TRP A 28 8.000 12.606 -18.935 1.00 0.00 H ATOM 481 HE3 TRP A 28 4.376 15.143 -15.876 1.00 0.00 H ATOM 482 HZ2 TRP A 28 6.688 14.711 -20.284 1.00 0.00 H ATOM 483 HZ3 TRP A 28 3.824 16.658 -17.737 1.00 0.00 H ATOM 484 HH2 TRP A 28 4.956 16.449 -19.910 1.00 0.00 H ATOM 485 N GLU A 29 3.613 11.603 -16.639 1.00 0.00 N ATOM 486 CA GLU A 29 2.612 12.033 -17.608 1.00 0.00 C ATOM 487 C GLU A 29 1.201 11.780 -17.093 1.00 0.00 C ATOM 488 O GLU A 29 0.246 12.420 -17.530 1.00 0.00 O ATOM 489 CB GLU A 29 2.816 11.311 -18.942 1.00 0.00 C ATOM 490 CG GLU A 29 4.054 11.748 -19.711 1.00 0.00 C ATOM 491 CD GLU A 29 4.253 10.976 -20.986 1.00 0.00 C ATOM 492 OE1 GLU A 29 3.669 9.929 -21.122 1.00 0.00 O ATOM 493 OE2 GLU A 29 4.992 11.436 -21.825 1.00 0.00 O ATOM 494 H GLU A 29 4.233 10.843 -16.876 1.00 0.00 H ATOM 495 HA GLU A 29 2.734 13.104 -17.780 1.00 0.00 H ATOM 496 1HB GLU A 29 2.893 10.237 -18.766 1.00 0.00 H ATOM 497 2HB GLU A 29 1.949 11.476 -19.581 1.00 0.00 H ATOM 498 1HG GLU A 29 3.965 12.807 -19.951 1.00 0.00 H ATOM 499 2HG GLU A 29 4.928 11.620 -19.074 1.00 0.00 H ATOM 500 N ILE A 30 1.077 10.842 -16.160 1.00 0.00 N ATOM 501 CA ILE A 30 -0.227 10.435 -15.650 1.00 0.00 C ATOM 502 C ILE A 30 -0.490 11.032 -14.273 1.00 0.00 C ATOM 503 O ILE A 30 0.206 10.719 -13.307 1.00 0.00 O ATOM 504 CB ILE A 30 -0.334 8.901 -15.575 1.00 0.00 C ATOM 505 CG1 ILE A 30 -0.166 8.285 -16.967 1.00 0.00 C ATOM 506 CG2 ILE A 30 -1.665 8.490 -14.965 1.00 0.00 C ATOM 507 CD1 ILE A 30 0.030 6.786 -16.951 1.00 0.00 C ATOM 508 H ILE A 30 1.908 10.398 -15.794 1.00 0.00 H ATOM 509 HA ILE A 30 -0.994 10.792 -16.338 1.00 0.00 H ATOM 510 HB ILE A 30 0.474 8.510 -14.958 1.00 0.00 H ATOM 511 1HG1 ILE A 30 -1.044 8.509 -17.572 1.00 0.00 H ATOM 512 2HG1 ILE A 30 0.694 8.735 -17.462 1.00 0.00 H ATOM 513 1HG2 ILE A 30 -1.724 7.403 -14.919 1.00 0.00 H ATOM 514 2HG2 ILE A 30 -1.746 8.899 -13.959 1.00 0.00 H ATOM 515 3HG2 ILE A 30 -2.481 8.872 -15.578 1.00 0.00 H ATOM 516 1HD1 ILE A 30 0.142 6.424 -17.974 1.00 0.00 H ATOM 517 2HD1 ILE A 30 0.926 6.542 -16.380 1.00 0.00 H ATOM 518 3HD1 ILE A 30 -0.836 6.311 -16.492 1.00 0.00 H ATOM 519 N GLU A 31 -1.500 11.892 -14.190 1.00 0.00 N ATOM 520 CA GLU A 31 -1.753 12.660 -12.977 1.00 0.00 C ATOM 521 C GLU A 31 -2.131 11.749 -11.817 1.00 0.00 C ATOM 522 O GLU A 31 -1.747 11.991 -10.672 1.00 0.00 O ATOM 523 CB GLU A 31 -2.864 13.685 -13.217 1.00 0.00 C ATOM 524 CG GLU A 31 -2.468 14.840 -14.125 1.00 0.00 C ATOM 525 CD GLU A 31 -3.564 15.856 -14.290 1.00 0.00 C ATOM 526 OE1 GLU A 31 -4.652 15.608 -13.831 1.00 0.00 O ATOM 527 OE2 GLU A 31 -3.312 16.882 -14.877 1.00 0.00 O ATOM 528 H GLU A 31 -2.107 12.016 -14.987 1.00 0.00 H ATOM 529 HA GLU A 31 -0.844 13.201 -12.714 1.00 0.00 H ATOM 530 1HB GLU A 31 -3.726 13.189 -13.664 1.00 0.00 H ATOM 531 2HB GLU A 31 -3.185 14.103 -12.263 1.00 0.00 H ATOM 532 1HG GLU A 31 -1.591 15.334 -13.707 1.00 0.00 H ATOM 533 2HG GLU A 31 -2.196 14.444 -15.102 1.00 0.00 H ATOM 534 N GLU A 32 -2.889 10.699 -12.118 1.00 0.00 N ATOM 535 CA GLU A 32 -3.384 9.791 -11.090 1.00 0.00 C ATOM 536 C GLU A 32 -2.234 9.109 -10.359 1.00 0.00 C ATOM 537 O GLU A 32 -2.283 8.923 -9.142 1.00 0.00 O ATOM 538 CB GLU A 32 -4.305 8.737 -11.707 1.00 0.00 C ATOM 539 CG GLU A 32 -5.615 9.289 -12.253 1.00 0.00 C ATOM 540 CD GLU A 32 -5.462 9.924 -13.607 1.00 0.00 C ATOM 541 OE1 GLU A 32 -4.380 9.889 -14.141 1.00 0.00 O ATOM 542 OE2 GLU A 32 -6.430 10.446 -14.108 1.00 0.00 O ATOM 543 H GLU A 32 -3.128 10.527 -13.084 1.00 0.00 H ATOM 544 HA GLU A 32 -3.964 10.367 -10.369 1.00 0.00 H ATOM 545 1HB GLU A 32 -3.787 8.235 -12.525 1.00 0.00 H ATOM 546 2HB GLU A 32 -4.546 7.981 -10.959 1.00 0.00 H ATOM 547 1HG GLU A 32 -6.337 8.476 -12.325 1.00 0.00 H ATOM 548 2HG GLU A 32 -6.006 10.025 -11.553 1.00 0.00 H ATOM 549 N GLN A 33 -1.201 8.737 -11.107 1.00 0.00 N ATOM 550 CA GLN A 33 -0.047 8.055 -10.534 1.00 0.00 C ATOM 551 C GLN A 33 0.779 8.999 -9.670 1.00 0.00 C ATOM 552 O GLN A 33 1.273 8.614 -8.610 1.00 0.00 O ATOM 553 CB GLN A 33 0.827 7.460 -11.642 1.00 0.00 C ATOM 554 CG GLN A 33 0.197 6.284 -12.368 1.00 0.00 C ATOM 555 CD GLN A 33 1.093 5.730 -13.459 1.00 0.00 C ATOM 556 OE1 GLN A 33 1.846 6.470 -14.098 1.00 0.00 O ATOM 557 NE2 GLN A 33 1.016 4.423 -13.681 1.00 0.00 N ATOM 558 H GLN A 33 -1.215 8.933 -12.097 1.00 0.00 H ATOM 559 HA GLN A 33 -0.404 7.234 -9.912 1.00 0.00 H ATOM 560 1HB GLN A 33 1.052 8.230 -12.380 1.00 0.00 H ATOM 561 2HB GLN A 33 1.774 7.126 -11.218 1.00 0.00 H ATOM 562 1HG GLN A 33 0.003 5.488 -11.648 1.00 0.00 H ATOM 563 2HG GLN A 33 -0.737 6.610 -12.824 1.00 0.00 H ATOM 564 1HE2 GLN A 33 1.583 4.001 -14.389 1.00 0.00 H ATOM 565 2HE2 GLN A 33 0.391 3.860 -13.140 1.00 0.00 H ATOM 566 N VAL A 34 0.925 10.237 -10.129 1.00 0.00 N ATOM 567 CA VAL A 34 1.680 11.244 -9.391 1.00 0.00 C ATOM 568 C VAL A 34 0.945 11.664 -8.125 1.00 0.00 C ATOM 569 O VAL A 34 1.545 11.776 -7.056 1.00 0.00 O ATOM 570 CB VAL A 34 1.924 12.482 -10.274 1.00 0.00 C ATOM 571 CG1 VAL A 34 2.561 13.599 -9.460 1.00 0.00 C ATOM 572 CG2 VAL A 34 2.803 12.108 -11.458 1.00 0.00 C ATOM 573 H VAL A 34 0.504 10.488 -11.012 1.00 0.00 H ATOM 574 HA VAL A 34 2.643 10.817 -9.111 1.00 0.00 H ATOM 575 HB VAL A 34 0.966 12.854 -10.635 1.00 0.00 H ATOM 576 1HG1 VAL A 34 2.727 14.466 -10.100 1.00 0.00 H ATOM 577 2HG1 VAL A 34 1.899 13.874 -8.640 1.00 0.00 H ATOM 578 3HG1 VAL A 34 3.515 13.257 -9.059 1.00 0.00 H ATOM 579 1HG2 VAL A 34 2.972 12.988 -12.078 1.00 0.00 H ATOM 580 2HG2 VAL A 34 3.760 11.731 -11.096 1.00 0.00 H ATOM 581 3HG2 VAL A 34 2.309 11.337 -12.049 1.00 0.00 H ATOM 582 N LYS A 35 -0.357 11.894 -8.251 1.00 0.00 N ATOM 583 CA LYS A 35 -1.177 12.303 -7.117 1.00 0.00 C ATOM 584 C LYS A 35 -1.238 11.208 -6.058 1.00 0.00 C ATOM 585 O LYS A 35 -1.235 11.489 -4.860 1.00 0.00 O ATOM 586 CB LYS A 35 -2.589 12.666 -7.580 1.00 0.00 C ATOM 587 CG LYS A 35 -2.680 13.974 -8.354 1.00 0.00 C ATOM 588 CD LYS A 35 -4.089 14.210 -8.878 1.00 0.00 C ATOM 589 CE LYS A 35 -4.181 15.517 -9.651 1.00 0.00 C ATOM 590 NZ LYS A 35 -5.523 15.705 -10.267 1.00 0.00 N ATOM 591 H LYS A 35 -0.791 11.784 -9.157 1.00 0.00 H ATOM 592 HA LYS A 35 -0.733 13.194 -6.672 1.00 0.00 H ATOM 593 1HB LYS A 35 -2.978 11.872 -8.217 1.00 0.00 H ATOM 594 2HB LYS A 35 -3.247 12.743 -6.714 1.00 0.00 H ATOM 595 1HG LYS A 35 -2.401 14.803 -7.702 1.00 0.00 H ATOM 596 2HG LYS A 35 -1.988 13.948 -9.195 1.00 0.00 H ATOM 597 1HD LYS A 35 -4.375 13.387 -9.535 1.00 0.00 H ATOM 598 2HD LYS A 35 -4.787 14.243 -8.042 1.00 0.00 H ATOM 599 1HE LYS A 35 -3.983 16.351 -8.980 1.00 0.00 H ATOM 600 2HE LYS A 35 -3.429 15.527 -10.440 1.00 0.00 H ATOM 601 1HZ LYS A 35 -5.543 16.581 -10.770 1.00 0.00 H ATOM 602 2HZ LYS A 35 -5.710 14.945 -10.907 1.00 0.00 H ATOM 603 3HZ LYS A 35 -6.227 15.717 -9.543 1.00 0.00 H ATOM 604 N ARG A 36 -1.292 9.960 -6.509 1.00 0.00 N ATOM 605 CA ARG A 36 -1.291 8.817 -5.602 1.00 0.00 C ATOM 606 C ARG A 36 0.022 8.724 -4.835 1.00 0.00 C ATOM 607 O ARG A 36 0.030 8.524 -3.621 1.00 0.00 O ATOM 608 CB ARG A 36 -1.519 7.524 -6.371 1.00 0.00 C ATOM 609 CG ARG A 36 -1.598 6.274 -5.509 1.00 0.00 C ATOM 610 CD ARG A 36 -1.865 5.061 -6.324 1.00 0.00 C ATOM 611 NE ARG A 36 -1.895 3.856 -5.511 1.00 0.00 N ATOM 612 CZ ARG A 36 -2.008 2.606 -5.999 1.00 0.00 C ATOM 613 NH1 ARG A 36 -2.101 2.413 -7.296 1.00 0.00 N ATOM 614 NH2 ARG A 36 -2.026 1.573 -5.174 1.00 0.00 N ATOM 615 H ARG A 36 -1.335 9.797 -7.505 1.00 0.00 H ATOM 616 HA ARG A 36 -2.105 8.942 -4.888 1.00 0.00 H ATOM 617 1HB ARG A 36 -2.448 7.595 -6.934 1.00 0.00 H ATOM 618 2HB ARG A 36 -0.711 7.380 -7.088 1.00 0.00 H ATOM 619 1HG ARG A 36 -0.653 6.133 -4.985 1.00 0.00 H ATOM 620 2HG ARG A 36 -2.404 6.383 -4.783 1.00 0.00 H ATOM 621 1HD ARG A 36 -2.830 5.161 -6.821 1.00 0.00 H ATOM 622 2HD ARG A 36 -1.082 4.947 -7.073 1.00 0.00 H ATOM 623 HE ARG A 36 -1.826 3.965 -4.508 1.00 0.00 H ATOM 624 1HH1 ARG A 36 -2.087 3.202 -7.927 1.00 0.00 H ATOM 625 2HH1 ARG A 36 -2.185 1.475 -7.662 1.00 0.00 H ATOM 626 1HH2 ARG A 36 -1.955 1.722 -4.177 1.00 0.00 H ATOM 627 2HH2 ARG A 36 -2.111 0.637 -5.540 1.00 0.00 H ATOM 628 N ALA A 37 1.132 8.869 -5.552 1.00 0.00 N ATOM 629 CA ALA A 37 2.452 8.861 -4.932 1.00 0.00 C ATOM 630 C ALA A 37 2.642 10.072 -4.028 1.00 0.00 C ATOM 631 O ALA A 37 3.246 9.974 -2.961 1.00 0.00 O ATOM 632 CB ALA A 37 3.537 8.821 -5.998 1.00 0.00 C ATOM 633 H ALA A 37 1.059 8.988 -6.553 1.00 0.00 H ATOM 634 HA ALA A 37 2.545 7.957 -4.329 1.00 0.00 H ATOM 635 1HB ALA A 37 4.517 8.816 -5.520 1.00 0.00 H ATOM 636 2HB ALA A 37 3.423 7.920 -6.600 1.00 0.00 H ATOM 637 3HB ALA A 37 3.451 9.698 -6.638 1.00 0.00 H ATOM 638 N ARG A 38 2.123 11.216 -4.463 1.00 0.00 N ATOM 639 CA ARG A 38 2.233 12.449 -3.692 1.00 0.00 C ATOM 640 C ARG A 38 1.511 12.330 -2.356 1.00 0.00 C ATOM 641 O ARG A 38 2.014 12.777 -1.326 1.00 0.00 O ATOM 642 CB ARG A 38 1.659 13.622 -4.473 1.00 0.00 C ATOM 643 CG ARG A 38 1.755 14.967 -3.770 1.00 0.00 C ATOM 644 CD ARG A 38 1.277 16.075 -4.637 1.00 0.00 C ATOM 645 NE ARG A 38 1.265 17.347 -3.933 1.00 0.00 N ATOM 646 CZ ARG A 38 0.917 18.525 -4.487 1.00 0.00 C ATOM 647 NH1 ARG A 38 0.555 18.575 -5.750 1.00 0.00 N ATOM 648 NH2 ARG A 38 0.939 19.629 -3.761 1.00 0.00 N ATOM 649 H ARG A 38 1.639 11.231 -5.350 1.00 0.00 H ATOM 650 HA ARG A 38 3.289 12.645 -3.502 1.00 0.00 H ATOM 651 1HB ARG A 38 2.176 13.712 -5.427 1.00 0.00 H ATOM 652 2HB ARG A 38 0.607 13.436 -4.687 1.00 0.00 H ATOM 653 1HG ARG A 38 1.144 14.950 -2.867 1.00 0.00 H ATOM 654 2HG ARG A 38 2.793 15.164 -3.502 1.00 0.00 H ATOM 655 1HD ARG A 38 1.934 16.169 -5.501 1.00 0.00 H ATOM 656 2HD ARG A 38 0.263 15.862 -4.973 1.00 0.00 H ATOM 657 HE ARG A 38 1.538 17.348 -2.959 1.00 0.00 H ATOM 658 1HH1 ARG A 38 0.538 17.731 -6.305 1.00 0.00 H ATOM 659 2HH1 ARG A 38 0.294 19.458 -6.165 1.00 0.00 H ATOM 660 1HH2 ARG A 38 1.217 19.590 -2.790 1.00 0.00 H ATOM 661 2HH2 ARG A 38 0.678 20.511 -4.176 1.00 0.00 H ATOM 662 N ASP A 39 0.328 11.725 -2.381 1.00 0.00 N ATOM 663 CA ASP A 39 -0.437 11.491 -1.162 1.00 0.00 C ATOM 664 C ASP A 39 0.354 10.652 -0.167 1.00 0.00 C ATOM 665 O ASP A 39 0.447 10.996 1.012 1.00 0.00 O ATOM 666 CB ASP A 39 -1.761 10.794 -1.486 1.00 0.00 C ATOM 667 CG ASP A 39 -2.668 10.650 -0.270 1.00 0.00 C ATOM 668 OD1 ASP A 39 -3.355 11.591 0.049 1.00 0.00 O ATOM 669 OD2 ASP A 39 -2.663 9.600 0.327 1.00 0.00 O ATOM 670 H ASP A 39 -0.050 11.418 -3.266 1.00 0.00 H ATOM 671 HA ASP A 39 -0.665 12.454 -0.706 1.00 0.00 H ATOM 672 1HB ASP A 39 -2.292 11.359 -2.252 1.00 0.00 H ATOM 673 2HB ASP A 39 -1.561 9.802 -1.891 1.00 0.00 H ATOM 674 N ALA A 40 0.924 9.553 -0.647 1.00 0.00 N ATOM 675 CA ALA A 40 1.732 8.678 0.194 1.00 0.00 C ATOM 676 C ALA A 40 2.960 9.407 0.727 1.00 0.00 C ATOM 677 O ALA A 40 3.373 9.194 1.866 1.00 0.00 O ATOM 678 CB ALA A 40 2.149 7.436 -0.580 1.00 0.00 C ATOM 679 H ALA A 40 0.795 9.317 -1.621 1.00 0.00 H ATOM 680 HA ALA A 40 1.125 8.353 1.039 1.00 0.00 H ATOM 681 1HB ALA A 40 2.751 6.792 0.061 1.00 0.00 H ATOM 682 2HB ALA A 40 1.260 6.894 -0.905 1.00 0.00 H ATOM 683 3HB ALA A 40 2.733 7.729 -1.451 1.00 0.00 H ATOM 684 N TRP A 41 3.540 10.264 -0.106 1.00 0.00 N ATOM 685 CA TRP A 41 4.723 11.024 0.280 1.00 0.00 C ATOM 686 C TRP A 41 4.422 11.960 1.443 1.00 0.00 C ATOM 687 O TRP A 41 5.155 11.992 2.432 1.00 0.00 O ATOM 688 CB TRP A 41 5.247 11.834 -0.908 1.00 0.00 C ATOM 689 CG TRP A 41 6.512 12.582 -0.610 1.00 0.00 C ATOM 690 CD1 TRP A 41 6.648 13.932 -0.476 1.00 0.00 C ATOM 691 CD2 TRP A 41 7.832 12.024 -0.407 1.00 0.00 C ATOM 692 NE1 TRP A 41 7.956 14.250 -0.206 1.00 0.00 N ATOM 693 CE2 TRP A 41 8.694 13.095 -0.158 1.00 0.00 C ATOM 694 CE3 TRP A 41 8.343 10.720 -0.415 1.00 0.00 C ATOM 695 CZ2 TRP A 41 10.047 12.908 0.079 1.00 0.00 C ATOM 696 CZ3 TRP A 41 9.699 10.532 -0.175 1.00 0.00 C ATOM 697 CH2 TRP A 41 10.528 11.599 0.066 1.00 0.00 C ATOM 698 H TRP A 41 3.152 10.393 -1.029 1.00 0.00 H ATOM 699 HA TRP A 41 5.501 10.323 0.586 1.00 0.00 H ATOM 700 1HB TRP A 41 5.434 11.167 -1.749 1.00 0.00 H ATOM 701 2HB TRP A 41 4.490 12.552 -1.221 1.00 0.00 H ATOM 702 HD1 TRP A 41 5.837 14.652 -0.569 1.00 0.00 H ATOM 703 HE1 TRP A 41 8.317 15.183 -0.065 1.00 0.00 H ATOM 704 HE3 TRP A 41 7.689 9.869 -0.604 1.00 0.00 H ATOM 705 HZ2 TRP A 41 10.722 13.742 0.273 1.00 0.00 H ATOM 706 HZ3 TRP A 41 10.090 9.514 -0.185 1.00 0.00 H ATOM 707 HH2 TRP A 41 11.587 11.416 0.251 1.00 0.00 H ATOM 708 N GLU A 42 3.340 12.720 1.320 1.00 0.00 N ATOM 709 CA GLU A 42 3.016 13.757 2.293 1.00 0.00 C ATOM 710 C GLU A 42 2.350 13.164 3.528 1.00 0.00 C ATOM 711 O GLU A 42 2.520 13.667 4.639 1.00 0.00 O ATOM 712 CB GLU A 42 2.102 14.811 1.665 1.00 0.00 C ATOM 713 CG GLU A 42 2.749 15.621 0.551 1.00 0.00 C ATOM 714 CD GLU A 42 1.778 16.529 -0.152 1.00 0.00 C ATOM 715 OE1 GLU A 42 0.628 16.538 0.217 1.00 0.00 O ATOM 716 OE2 GLU A 42 2.187 17.214 -1.060 1.00 0.00 O ATOM 717 H GLU A 42 2.725 12.577 0.531 1.00 0.00 H ATOM 718 HA GLU A 42 3.942 14.247 2.597 1.00 0.00 H ATOM 719 1HB GLU A 42 1.215 14.327 1.256 1.00 0.00 H ATOM 720 2HB GLU A 42 1.768 15.508 2.434 1.00 0.00 H ATOM 721 1HG GLU A 42 3.552 16.224 0.973 1.00 0.00 H ATOM 722 2HG GLU A 42 3.188 14.936 -0.174 1.00 0.00 H ATOM 723 N ARG A 43 1.591 12.092 3.327 1.00 0.00 N ATOM 724 CA ARG A 43 0.830 11.478 4.409 1.00 0.00 C ATOM 725 C ARG A 43 1.734 10.667 5.327 1.00 0.00 C ATOM 726 O ARG A 43 2.752 10.126 4.891 1.00 0.00 O ATOM 727 OXT ARG A 43 1.460 10.547 6.489 1.00 0.00 O ATOM 728 CB ARG A 43 -0.262 10.577 3.853 1.00 0.00 C ATOM 729 CG ARG A 43 -1.224 10.023 4.891 1.00 0.00 C ATOM 730 CD ARG A 43 -2.312 9.229 4.263 1.00 0.00 C ATOM 731 NE ARG A 43 -3.082 10.019 3.315 1.00 0.00 N ATOM 732 CZ ARG A 43 -4.071 10.869 3.653 1.00 0.00 C ATOM 733 NH1 ARG A 43 -4.399 11.027 4.916 1.00 0.00 N ATOM 734 NH2 ARG A 43 -4.713 11.542 2.714 1.00 0.00 N ATOM 735 H ARG A 43 1.538 11.692 2.401 1.00 0.00 H ATOM 736 HA ARG A 43 0.359 12.270 4.994 1.00 0.00 H ATOM 737 1HB ARG A 43 -0.849 11.128 3.120 1.00 0.00 H ATOM 738 2HB ARG A 43 0.192 9.730 3.338 1.00 0.00 H ATOM 739 1HG ARG A 43 -0.682 9.376 5.581 1.00 0.00 H ATOM 740 2HG ARG A 43 -1.676 10.846 5.445 1.00 0.00 H ATOM 741 1HD ARG A 43 -1.883 8.381 3.731 1.00 0.00 H ATOM 742 2HD ARG A 43 -2.990 8.868 5.035 1.00 0.00 H ATOM 743 HE ARG A 43 -2.858 9.924 2.334 1.00 0.00 H ATOM 744 1HH1 ARG A 43 -3.909 10.512 5.634 1.00 0.00 H ATOM 745 2HH1 ARG A 43 -5.140 11.664 5.169 1.00 0.00 H ATOM 746 1HH2 ARG A 43 -4.461 11.420 1.743 1.00 0.00 H ATOM 747 2HH2 ARG A 43 -5.454 12.179 2.967 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE start25_0184_0002.pdb label fa_atr fa_rep fa_sol fa_intra_atr_xover4 fa_intra_rep_xover4 fa_intra_sol_xover4 lk_ball lk_ball_iso lk_ball_bridge lk_ball_bridge_uncpl fa_elec fa_intra_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun_dev fa_dun_rot fa_dun_semi p_aa_pp hxl_tors ref rama_prepro gen_bonded total weights 1 0.55 1 1 0.55 1 0.92 -0.38 -0.33 -0.33 1 1 1.25 1 1 1 1 1.25 0.48 0.69 0.76 0.78 0.61 1 1 0.5 1 NA pose -234.786 23.5828 205.411 -18.2267 8.3461 14.8778 106.825 -106.727 -0.24176 -1.56027 -98.2298 -15.9619 0 -27.1326 -5.2501 -3.98703 -11.2166 0 2.65859 3.89256 28.9261 48.0202 -9.58118 0.60198 -21.8351 -2.1542 0 -113.749 SER:NtermProteinFull_1 -2.67963 0.10459 3.42215 -0.03504 0.0136 0.03016 1.60168 -1.51201 -0.00488 -0.06963 -1.929 -0.99227 0 0 0 0 0 0 0.02481 0.011 0.21801 0 0 0.60198 -0.77834 0 0 -1.97281 GLU_2 -4.39425 0.32124 4.94675 -0.46775 0.30153 1.47028 2.18468 -2.2846 -0.02752 -0.15967 -2.35967 -2.83547 0 0 0 0 0 0 -0.05107 0.14558 0 4.01336 -0.29666 0 -2.7348 -0.2308 0 -2.45885 GLU_3 -3.76507 0.23553 4.85124 -0.45882 0.21355 1.43049 1.58542 -2.1208 -0.05696 -0.31684 -1.01098 -2.86661 0 0 0 0 0 0 0.06413 0.01113 0 4.01212 -0.24721 0 -2.7348 -0.41941 0 -1.59388 GLU_4 -5.67412 0.46813 6.56798 -0.32592 0.04374 0.34533 2.99843 -2.96347 -0.03432 -0.2268 -2.96304 -0.58919 0 0 0 0 -0.50797 0 0.04409 0.0536 0 4.37268 -0.20725 0 -2.7348 -0.3215 0 -1.65442 LEU_5 -8.83822 0.96628 4.58556 -0.50473 0.47529 0.12486 2.93363 -3.21474 -0 -0 -1.79648 0.23025 0 0 0 0 0 0 0.33703 0.23247 0.28296 0 -0.30993 0 0.18072 -0.19388 0 -4.50892 LYS_6 -8.20432 0.83546 9.49047 -0.36425 0.05335 0.17773 5.2075 -4.39647 -0 -0 -7.18233 0.37303 0 0 0 -0.52948 0 0 0.14614 0.17092 2.53892 0 0.03154 0 -1.5107 -0.08018 0 -3.24268 LYS_7 -4.75325 0.25521 5.33554 -0.30622 0.02873 0.13725 2.72549 -2.47687 -0 -0 -1.82406 -0.00466 0 0 0 0 0 0 0.192 0.00826 1.74393 0 0.0031 0 -1.5107 -0.12123 0 -0.56749 ILE_8 -8.87617 0.73311 3.40139 -0.51479 0.60038 0.10203 2.85341 -2.81455 -0 -0 -2.06357 0.07534 0 0 0 0 0 0 -0.0171 0.05516 0.60584 0 -0.40345 0 0.73287 0.06632 0 -5.46378 ALA_9 -6.50439 0.92799 3.88456 -0.02137 0 0 2.82199 -2.92906 -0 -0 -2.44227 -0.35364 0 0 0 0 0 0 -0.01655 0 0 0 -0.21702 0 1.8394 0.21551 0 -2.79485 LYS_10 -6.63966 0.56551 7.92987 -0.92693 0.30099 1.04892 4.03726 -3.51943 -0 -0 -4.55668 0.07164 0 0 0 0 -0.71369 0 0.03333 0.15064 2.98471 0 0.04484 0 -1.5107 0.0775 0 -0.62188 LEU_11 -7.31755 1.27903 5.37068 -0.49831 0.45547 0.11757 3.16376 -3.04747 -0 -0 -2.06708 0.25118 0 0 0 0 0 0 0.11817 0.16549 0.46157 0 -0.24698 0 0.18072 0.11951 0 -1.49426 LEU_12 -7.1648 0.41091 4.36445 -0.50258 0.46278 0.11847 2.5172 -2.93915 -0 -0 -1.837 0.25955 0 0 0 0 0 0 0.13479 0.09942 0.3446 0 -0.27344 0 0.18072 0.10501 0 -3.71906 LEU_13 -4.69728 0.73971 3.74859 -0.50196 0.38605 0.12606 1.79716 -2.12582 -0 -0 -0.89273 0.20978 0 0 0 0 0 0 -0.0085 0.3257 0.30117 0 -0.31728 0 0.18072 -0.07158 0 -0.8002 ASP_14 -4.10917 0.35518 6.50853 -0.12242 0.03478 0.38548 3.29022 -2.75813 -0 -0 -3.7707 -0.27483 0 0 0 0 -0.71369 0 0.02223 0.14283 0 2.12143 -0.14911 0 -2.3716 -0.03045 0 -1.43942 GLY_15 -1.84741 0.3782 2.49903 -6e-05 0 0 1.03702 -1.26119 -0 -0 -0.96517 -0.37293 0 0 0 0 0 0 -0.04799 0 0 0 -1.5329 0 0.83697 -0.00757 0 -1.28402 VAL_16 -5.46608 0.9144 2.99762 -0.28182 0.20822 0.05837 2.06578 -2.17554 -0 -0 -0.66174 0.20727 0 0 0 0 0 0 -0.00049 0.00017 0.06471 0 -0.3963 0 1.9342 -0.33999 0 -0.87124 ASP_17 -3.44591 0.40291 3.64914 -0.16274 0.04348 0.55279 2.01293 -1.77622 -0.0096 -0.04909 -2.26716 -2.80536 0 0 0 -0.30718 0 0 0.04718 0.09798 0 4.29714 0.0733 0 -2.3716 0.07905 0 -1.93896 GLU_18 -6.26633 0.51134 6.96479 -0.29603 0.05777 0.32141 2.27737 -2.86046 -0.01492 -0.06573 -4.64646 -0.34841 0 0 0 -0.30718 -1.68852 0 0.26995 0.01084 0 3.84563 0.08956 0 -2.7348 0.4479 0 -4.43227 VAL_19 -6.61319 0.62072 2.35606 -0.28309 0.20268 0.06397 2.52863 -2.01561 -0 -0 -2.22404 -0.23724 0 0 0 0 0 0 -0.05034 0.00462 0.16828 0 -0.58905 0 1.9342 -0.11866 0 -4.25204 LEU_20 -3.98225 0.42906 1.57894 -0.64007 0.43506 0.19926 0.40468 -1.36452 -0.00532 -0.01664 -0.20016 0.23276 0 0 0 0 0 0 -0.07959 0.0088 0.68215 0 -0.27347 0 0.18072 -0.1816 0 -2.59219 VAL_21 -6.32485 0.95923 3.60583 -0.40681 1.06802 0.11264 2.60513 -2.47689 -0 -0 -2.07445 -0.59082 0 0 0 0 0 0 -0.01712 0.35759 1.30036 0 -0.56014 0 1.9342 0.04868 0 -0.45939 LEU_22 -2.63402 0.40767 1.64303 -0.53465 0.42121 0.16422 0.90449 -0.95044 -0 -0 0.31816 -0.06284 0 0 0 0 0 0 0.14667 0.06301 0.29816 0 0.53218 0 0.18072 0.55537 0 1.45294 GLY_23 -1.92867 0.36422 1.77525 -7e-05 0 0 0.42526 -0.9919 -0 -1e-05 -0.02282 -0.40123 0 0 0 0 0 0 -0.16798 0 0 0 -1.51159 0 0.83697 0.11866 0 -1.50392 ARG_24 -6.86415 0.72696 6.59284 -0.69253 0.13284 0.49043 3.97772 -3.27976 -0 -0 -3.8995 0.52302 0 0 0 0 -0.50797 0 0.0903 0.06235 2.11822 0 -0.0121 0 -1.2888 -0.57728 0 -2.40743 ARG_25 -4.60645 0.2139 4.15396 -0.62967 0.1783 0.39093 1.48636 -1.89411 -0 -1e-05 -2.10464 0.06361 0 0 0 -0.4608 -0.61415 0 0.33758 0.13707 2.69217 0 0.2142 0 -1.2888 -0.0582 0 -1.78877 PHE_26 -8.40888 0.96838 3.21451 -0.58643 0.11314 0.28753 2.37458 -2.39818 -0 -0 -2.72324 -0.04081 0 0 0 0 0 0 0.24863 0.11356 0 2.52995 -0.21591 0 1.0402 0.16062 0 -3.32233 ARG_27 -7.46632 0.9894 8.10764 -0.63753 0.09515 0.38598 4.48327 -3.22519 -0 -0 -4.23335 0.64916 0 0 0 -0.69606 -1.64012 0 0.10872 0.56305 2.34422 0 -0.02675 0 -1.2888 -0.06455 0 -1.55209 TRP_28 -5.42857 0.74115 3.4243 -1.44835 0.22782 0.6122 1.43957 -1.92534 -0 -0 -0.30219 -0.67017 0 0 0 0 0 0 0.13779 0.19238 0 1.34995 -0.03475 0 1.6906 -0.10754 0 -0.10116 GLU_29 -4.90668 0.86724 4.53418 -0.22284 0.03041 0.32106 1.08715 -1.85011 -0.00082 -0.00217 -1.13627 -0.59854 0 0 0 0 -0.56575 0 0.00551 0.03848 0 3.23505 -0.29033 0 -2.7348 -0.188 0 -2.37724 ILE_30 -6.01469 0.61768 4.87894 -0.49533 0.59786 0.11564 3.2528 -2.59834 -0.01462 -0.16758 -1.49979 -0.00272 0 0 0 0 0 0 0.14862 0.05149 0.32974 0 -0.64122 0 0.73287 -0.44183 0 -1.15047 GLU_31 -4.18659 0.27439 5.18838 -0.21589 0.02509 0.29339 1.72605 -2.25263 -0.00082 -0.00217 -2.28009 -0.58754 0 0 0 0 0 0 -0.04142 0.0685 0 3.00819 -0.31354 0 -2.7348 -0.47602 0 -2.50752 GLU_32 -3.98358 0.23834 4.57752 -0.46173 0.23136 1.44344 1.86152 -2.15231 -0.02868 -0.15818 -1.56405 -2.88631 0 0 0 0 0 0 -0.0471 0.00701 0 4.01044 -0.25562 0 -2.7348 -0.43236 0 -2.33508 GLN_33 -7.75823 0.80381 6.18647 -0.25377 0.02938 0.17984 3.4165 -3.27819 -0.0433 -0.32576 -2.83678 -0.44818 0 0 0 -1.15686 0 0 0.03681 0.03016 0 2.70004 -0.087 0 -0.18838 -0.18826 0 -3.18171 VAL_34 -5.54431 0.3277 4.25892 -0.30899 0.25738 0.07018 2.91977 -2.62805 -0 -0 -2.2957 -0.10409 0 0 0 0 0 0 -0.05381 0 0.15799 0 -0.35894 0 1.9342 0.07612 0 -1.29163 LYS_35 -5.24623 0.26628 6.08745 -0.30808 0.02864 0.13989 2.47503 -2.70838 -0 -0 -3.10178 -0.02774 0 0 0 0 0 0 0.15568 0.12134 1.7527 0 -0.03907 0 -1.5107 -0.11262 0 -2.02758 ARG_36 -5.53194 0.31737 4.83656 -0.55087 0.09069 0.32521 2.35004 -2.53205 -0 -0 -1.42686 0.34658 0 0 0 0 0 0 0.15074 0.03796 2.53366 0 -0.00401 0 -1.2888 -0.02737 0 -0.37309 ALA_37 -6.04502 0.45287 3.46868 -0.02217 0 0 2.75967 -2.78629 -0 -0 -2.09398 -0.3586 0 0 0 0 0 0 -0.00605 0 0 0 -0.15025 0 1.8394 0.03609 0 -2.90566 ARG_38 -5.67409 0.31394 6.90903 -0.55988 0.08811 0.34116 3.42264 -3.09459 -0 -0 -3.26764 0.28627 0 0 0 0 -0.59412 0 0.15134 0.03893 2.64296 0 -0.07122 0 -1.2888 -0.11475 0 -0.4707 ASP_39 -4.89502 0.38197 7.20407 -0.22932 0.0021 0.75208 3.61254 -3.14796 -0 -0 -4.50315 -0.19451 0 0 0 0 -1.53827 0 0.04725 0.00389 0 3.37406 0.29785 0 -2.3716 0.47323 0 -0.7308 ALA_40 -5.69772 0.78153 4.6278 -0.0224 0 0 2.69001 -2.80115 -0 -0 -1.82603 -0.36598 0 0 0 -0.19412 0 0 -0.0282 0 0 0 -0.28276 0 1.8394 0.28673 0 -0.99288 TRP_41 -7.59109 0.82385 4.4828 -1.16649 0.05268 0.51522 2.46481 -2.73015 -0 -0 -1.16698 -0.33015 0 0 0 0 0 0 0.13754 0.04821 0 2.06967 -0.30287 0 1.6906 0.0254 0 -0.97697 GLU_42 -3.55382 0.05848 4.89692 -0.21834 0.04129 0.32859 1.69485 -1.98829 -0 -0 -1.86898 -0.61725 0 0 0 0 -0.59412 0 -0.04513 0.0976 0 3.08053 -0.24961 0 -2.7348 0.03297 0 -1.63911 ARG:CtermProteinFull_43 -3.25602 0.23193 6.30226 -1.03964 0.31717 0.79772 3.35085 -2.48076 -0 -0 -4.65933 0.22683 0 0 0 -0.33536 -1.53827 0 0 0.16537 2.35901 0 0 0 -1.2888 -0.17324 0 -1.02027 #END_POSE_ENERGIES_TABLE start25_0184_0002.pdb score_per_res -2.64532 total_score -113.749
HEEH_KT_rd6_4516.pdb
ATOM 1 N SER A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA SER A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C SER A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O SER A 1 1.592 2.259 -0.799 1.00 0.00 O ATOM 5 CB SER A 1 1.980 -0.754 -1.207 1.00 0.00 C ATOM 6 OG SER A 1 1.619 -2.107 -1.149 1.00 0.00 O ATOM 7 1H SER A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 8 2H SER A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 9 3H SER A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 10 HA SER A 1 1.804 -0.509 0.900 1.00 0.00 H ATOM 11 1HB SER A 1 1.579 -0.307 -2.117 1.00 0.00 H ATOM 12 2HB SER A 1 3.065 -0.666 -1.250 1.00 0.00 H ATOM 13 HG SER A 1 1.964 -2.508 -1.950 1.00 0.00 H ATOM 14 N TRP A 2 2.948 1.685 0.901 1.00 0.00 N ATOM 15 CA TRP A 2 3.528 3.016 1.036 1.00 0.00 C ATOM 16 C TRP A 2 4.428 3.347 -0.147 1.00 0.00 C ATOM 17 O TRP A 2 4.590 4.513 -0.509 1.00 0.00 O ATOM 18 CB TRP A 2 4.328 3.121 2.335 1.00 0.00 C ATOM 19 CG TRP A 2 3.472 3.161 3.564 1.00 0.00 C ATOM 20 CD1 TRP A 2 3.339 2.176 4.497 1.00 0.00 C ATOM 21 CD2 TRP A 2 2.620 4.247 4.003 1.00 0.00 C ATOM 22 NE1 TRP A 2 2.466 2.571 5.481 1.00 0.00 N ATOM 23 CE2 TRP A 2 2.018 3.836 5.196 1.00 0.00 C ATOM 24 CE3 TRP A 2 2.326 5.515 3.488 1.00 0.00 C ATOM 25 CZ2 TRP A 2 1.133 4.648 5.888 1.00 0.00 C ATOM 26 CZ3 TRP A 2 1.439 6.329 4.182 1.00 0.00 C ATOM 27 CH2 TRP A 2 0.859 5.906 5.352 1.00 0.00 C ATOM 28 H TRP A 2 3.271 0.945 1.508 1.00 0.00 H ATOM 29 HA TRP A 2 2.717 3.744 1.073 1.00 0.00 H ATOM 30 1HB TRP A 2 5.004 2.270 2.416 1.00 0.00 H ATOM 31 2HB TRP A 2 4.939 4.024 2.314 1.00 0.00 H ATOM 32 HD1 TRP A 2 3.850 1.216 4.466 1.00 0.00 H ATOM 33 HE1 TRP A 2 2.197 2.021 6.284 1.00 0.00 H ATOM 34 HE3 TRP A 2 2.785 5.857 2.561 1.00 0.00 H ATOM 35 HZ2 TRP A 2 0.662 4.330 6.818 1.00 0.00 H ATOM 36 HZ3 TRP A 2 1.214 7.315 3.774 1.00 0.00 H ATOM 37 HH2 TRP A 2 0.168 6.570 5.871 1.00 0.00 H ATOM 38 N GLU A 3 5.013 2.316 -0.747 1.00 0.00 N ATOM 39 CA GLU A 3 5.837 2.489 -1.937 1.00 0.00 C ATOM 40 C GLU A 3 5.027 3.073 -3.087 1.00 0.00 C ATOM 41 O GLU A 3 5.544 3.851 -3.890 1.00 0.00 O ATOM 42 CB GLU A 3 6.451 1.152 -2.359 1.00 0.00 C ATOM 43 CG GLU A 3 7.458 0.582 -1.370 1.00 0.00 C ATOM 44 CD GLU A 3 6.808 -0.155 -0.233 1.00 0.00 C ATOM 45 OE1 GLU A 3 5.603 -0.233 -0.212 1.00 0.00 O ATOM 46 OE2 GLU A 3 7.517 -0.642 0.616 1.00 0.00 O ATOM 47 H GLU A 3 4.882 1.389 -0.369 1.00 0.00 H ATOM 48 HA GLU A 3 6.650 3.173 -1.698 1.00 0.00 H ATOM 49 1HB GLU A 3 5.659 0.414 -2.493 1.00 0.00 H ATOM 50 2HB GLU A 3 6.954 1.270 -3.319 1.00 0.00 H ATOM 51 1HG GLU A 3 8.123 -0.100 -1.898 1.00 0.00 H ATOM 52 2HG GLU A 3 8.060 1.397 -0.971 1.00 0.00 H ATOM 53 N ASP A 4 3.757 2.693 -3.164 1.00 0.00 N ATOM 54 CA ASP A 4 2.868 3.195 -4.204 1.00 0.00 C ATOM 55 C ASP A 4 2.612 4.687 -4.039 1.00 0.00 C ATOM 56 O ASP A 4 2.483 5.418 -5.020 1.00 0.00 O ATOM 57 CB ASP A 4 1.537 2.439 -4.184 1.00 0.00 C ATOM 58 CG ASP A 4 1.660 1.010 -4.696 1.00 0.00 C ATOM 59 OD1 ASP A 4 2.627 0.718 -5.359 1.00 0.00 O ATOM 60 OD2 ASP A 4 0.785 0.224 -4.419 1.00 0.00 O ATOM 61 H ASP A 4 3.397 2.040 -2.482 1.00 0.00 H ATOM 62 HA ASP A 4 3.340 3.027 -5.174 1.00 0.00 H ATOM 63 1HB ASP A 4 1.149 2.412 -3.165 1.00 0.00 H ATOM 64 2HB ASP A 4 0.808 2.968 -4.798 1.00 0.00 H ATOM 65 N LEU A 5 2.541 5.135 -2.789 1.00 0.00 N ATOM 66 CA LEU A 5 2.360 6.551 -2.491 1.00 0.00 C ATOM 67 C LEU A 5 3.540 7.374 -2.991 1.00 0.00 C ATOM 68 O LEU A 5 3.359 8.413 -3.624 1.00 0.00 O ATOM 69 CB LEU A 5 2.188 6.757 -0.981 1.00 0.00 C ATOM 70 CG LEU A 5 1.989 8.208 -0.526 1.00 0.00 C ATOM 71 CD1 LEU A 5 0.716 8.765 -1.148 1.00 0.00 C ATOM 72 CD2 LEU A 5 1.924 8.259 0.993 1.00 0.00 C ATOM 73 H LEU A 5 2.614 4.477 -2.026 1.00 0.00 H ATOM 74 HA LEU A 5 1.455 6.896 -2.993 1.00 0.00 H ATOM 75 1HB LEU A 5 1.324 6.184 -0.649 1.00 0.00 H ATOM 76 2HB LEU A 5 3.072 6.369 -0.475 1.00 0.00 H ATOM 77 HG LEU A 5 2.825 8.816 -0.874 1.00 0.00 H ATOM 78 1HD1 LEU A 5 0.575 9.797 -0.824 1.00 0.00 H ATOM 79 2HD1 LEU A 5 0.798 8.735 -2.234 1.00 0.00 H ATOM 80 3HD1 LEU A 5 -0.136 8.166 -0.830 1.00 0.00 H ATOM 81 1HD2 LEU A 5 1.783 9.291 1.317 1.00 0.00 H ATOM 82 2HD2 LEU A 5 1.088 7.652 1.342 1.00 0.00 H ATOM 83 3HD2 LEU A 5 2.853 7.872 1.411 1.00 0.00 H ATOM 84 N LEU A 6 4.748 6.903 -2.703 1.00 0.00 N ATOM 85 CA LEU A 6 5.962 7.609 -3.099 1.00 0.00 C ATOM 86 C LEU A 6 6.078 7.692 -4.616 1.00 0.00 C ATOM 87 O LEU A 6 6.433 8.736 -5.164 1.00 0.00 O ATOM 88 CB LEU A 6 7.197 6.905 -2.522 1.00 0.00 C ATOM 89 CG LEU A 6 8.547 7.556 -2.850 1.00 0.00 C ATOM 90 CD1 LEU A 6 8.590 8.960 -2.263 1.00 0.00 C ATOM 91 CD2 LEU A 6 9.673 6.696 -2.296 1.00 0.00 C ATOM 92 H LEU A 6 4.829 6.033 -2.195 1.00 0.00 H ATOM 93 HA LEU A 6 5.920 8.621 -2.695 1.00 0.00 H ATOM 94 1HB LEU A 6 7.101 6.869 -1.438 1.00 0.00 H ATOM 95 2HB LEU A 6 7.221 5.883 -2.899 1.00 0.00 H ATOM 96 HG LEU A 6 8.655 7.643 -3.932 1.00 0.00 H ATOM 97 1HD1 LEU A 6 9.549 9.422 -2.496 1.00 0.00 H ATOM 98 2HD1 LEU A 6 7.786 9.559 -2.691 1.00 0.00 H ATOM 99 3HD1 LEU A 6 8.467 8.906 -1.182 1.00 0.00 H ATOM 100 1HD2 LEU A 6 10.632 7.158 -2.530 1.00 0.00 H ATOM 101 2HD2 LEU A 6 9.566 6.609 -1.215 1.00 0.00 H ATOM 102 3HD2 LEU A 6 9.628 5.704 -2.746 1.00 0.00 H ATOM 103 N LYS A 7 5.779 6.587 -5.289 1.00 0.00 N ATOM 104 CA LYS A 7 5.974 6.492 -6.731 1.00 0.00 C ATOM 105 C LYS A 7 5.004 7.398 -7.478 1.00 0.00 C ATOM 106 O LYS A 7 5.395 8.114 -8.401 1.00 0.00 O ATOM 107 CB LYS A 7 5.808 5.045 -7.200 1.00 0.00 C ATOM 108 CG LYS A 7 6.958 4.124 -6.816 1.00 0.00 C ATOM 109 CD LYS A 7 6.701 2.697 -7.277 1.00 0.00 C ATOM 110 CE LYS A 7 7.848 1.775 -6.890 1.00 0.00 C ATOM 111 NZ LYS A 7 7.607 0.373 -7.329 1.00 0.00 N ATOM 112 H LYS A 7 5.407 5.791 -4.790 1.00 0.00 H ATOM 113 HA LYS A 7 6.992 6.801 -6.963 1.00 0.00 H ATOM 114 1HB LYS A 7 4.892 4.629 -6.780 1.00 0.00 H ATOM 115 2HB LYS A 7 5.710 5.024 -8.285 1.00 0.00 H ATOM 116 1HG LYS A 7 7.881 4.484 -7.273 1.00 0.00 H ATOM 117 2HG LYS A 7 7.084 4.130 -5.733 1.00 0.00 H ATOM 118 1HD LYS A 7 5.780 2.329 -6.824 1.00 0.00 H ATOM 119 2HD LYS A 7 6.584 2.681 -8.360 1.00 0.00 H ATOM 120 1HE LYS A 7 8.771 2.131 -7.345 1.00 0.00 H ATOM 121 2HE LYS A 7 7.975 1.786 -5.807 1.00 0.00 H ATOM 122 1HZ LYS A 7 8.388 -0.205 -7.053 1.00 0.00 H ATOM 123 2HZ LYS A 7 6.762 0.025 -6.897 1.00 0.00 H ATOM 124 3HZ LYS A 7 7.507 0.347 -8.333 1.00 0.00 H ATOM 125 N ILE A 8 3.739 7.362 -7.076 1.00 0.00 N ATOM 126 CA ILE A 8 2.695 8.118 -7.759 1.00 0.00 C ATOM 127 C ILE A 8 2.886 9.617 -7.570 1.00 0.00 C ATOM 128 O ILE A 8 2.585 10.409 -8.462 1.00 0.00 O ATOM 129 CB ILE A 8 1.300 7.710 -7.253 1.00 0.00 C ATOM 130 CG1 ILE A 8 0.219 8.180 -8.230 1.00 0.00 C ATOM 131 CG2 ILE A 8 1.050 8.279 -5.865 1.00 0.00 C ATOM 132 CD1 ILE A 8 -1.154 7.618 -7.938 1.00 0.00 C ATOM 133 H ILE A 8 3.492 6.797 -6.276 1.00 0.00 H ATOM 134 HA ILE A 8 2.747 7.892 -8.825 1.00 0.00 H ATOM 135 HB ILE A 8 1.233 6.624 -7.208 1.00 0.00 H ATOM 136 1HG1 ILE A 8 0.155 9.267 -8.206 1.00 0.00 H ATOM 137 2HG1 ILE A 8 0.495 7.892 -9.245 1.00 0.00 H ATOM 138 1HG2 ILE A 8 0.060 7.982 -5.522 1.00 0.00 H ATOM 139 2HG2 ILE A 8 1.802 7.897 -5.175 1.00 0.00 H ATOM 140 3HG2 ILE A 8 1.110 9.367 -5.901 1.00 0.00 H ATOM 141 1HD1 ILE A 8 -1.865 7.996 -8.673 1.00 0.00 H ATOM 142 2HD1 ILE A 8 -1.121 6.529 -7.992 1.00 0.00 H ATOM 143 3HD1 ILE A 8 -1.467 7.923 -6.941 1.00 0.00 H ATOM 144 N LEU A 9 3.390 10.000 -6.401 1.00 0.00 N ATOM 145 CA LEU A 9 3.644 11.404 -6.099 1.00 0.00 C ATOM 146 C LEU A 9 4.835 11.931 -6.889 1.00 0.00 C ATOM 147 O LEU A 9 4.849 13.087 -7.312 1.00 0.00 O ATOM 148 CB LEU A 9 3.896 11.586 -4.597 1.00 0.00 C ATOM 149 CG LEU A 9 2.681 11.369 -3.687 1.00 0.00 C ATOM 150 CD1 LEU A 9 3.138 11.305 -2.236 1.00 0.00 C ATOM 151 CD2 LEU A 9 1.681 12.496 -3.897 1.00 0.00 C ATOM 152 H LEU A 9 3.603 9.301 -5.703 1.00 0.00 H ATOM 153 HA LEU A 9 2.760 11.982 -6.373 1.00 0.00 H ATOM 154 1HB LEU A 9 4.671 10.887 -4.288 1.00 0.00 H ATOM 155 2HB LEU A 9 4.261 12.599 -4.427 1.00 0.00 H ATOM 156 HG LEU A 9 2.210 10.416 -3.930 1.00 0.00 H ATOM 157 1HD1 LEU A 9 2.274 11.150 -1.589 1.00 0.00 H ATOM 158 2HD1 LEU A 9 3.837 10.478 -2.111 1.00 0.00 H ATOM 159 3HD1 LEU A 9 3.629 12.240 -1.968 1.00 0.00 H ATOM 160 1HD2 LEU A 9 0.817 12.340 -3.250 1.00 0.00 H ATOM 161 2HD2 LEU A 9 2.150 13.449 -3.652 1.00 0.00 H ATOM 162 3HD2 LEU A 9 1.358 12.507 -4.938 1.00 0.00 H ATOM 163 N ARG A 10 5.834 11.076 -7.084 1.00 0.00 N ATOM 164 CA ARG A 10 7.037 11.457 -7.813 1.00 0.00 C ATOM 165 C ARG A 10 6.718 11.785 -9.267 1.00 0.00 C ATOM 166 O ARG A 10 7.212 12.771 -9.814 1.00 0.00 O ATOM 167 CB ARG A 10 8.070 10.341 -7.762 1.00 0.00 C ATOM 168 CG ARG A 10 9.358 10.626 -8.518 1.00 0.00 C ATOM 169 CD ARG A 10 10.060 11.818 -7.975 1.00 0.00 C ATOM 170 NE ARG A 10 10.412 11.649 -6.575 1.00 0.00 N ATOM 171 CZ ARG A 10 10.948 12.611 -5.799 1.00 0.00 C ATOM 172 NH1 ARG A 10 11.187 13.803 -6.301 1.00 0.00 N ATOM 173 NH2 ARG A 10 11.234 12.358 -4.534 1.00 0.00 N ATOM 174 H ARG A 10 5.758 10.138 -6.715 1.00 0.00 H ATOM 175 HA ARG A 10 7.462 12.343 -7.341 1.00 0.00 H ATOM 176 1HB ARG A 10 8.334 10.137 -6.726 1.00 0.00 H ATOM 177 2HB ARG A 10 7.640 9.429 -8.176 1.00 0.00 H ATOM 178 1HG ARG A 10 10.026 9.768 -8.436 1.00 0.00 H ATOM 179 2HG ARG A 10 9.131 10.811 -9.568 1.00 0.00 H ATOM 180 1HD ARG A 10 10.977 11.988 -8.539 1.00 0.00 H ATOM 181 2HD ARG A 10 9.414 12.691 -8.061 1.00 0.00 H ATOM 182 HE ARG A 10 10.243 10.745 -6.153 1.00 0.00 H ATOM 183 1HH1 ARG A 10 10.968 13.997 -7.268 1.00 0.00 H ATOM 184 2HH1 ARG A 10 11.588 14.524 -5.719 1.00 0.00 H ATOM 185 1HH2 ARG A 10 11.050 11.441 -4.148 1.00 0.00 H ATOM 186 2HH2 ARG A 10 11.635 13.079 -3.953 1.00 0.00 H ATOM 187 N GLU A 11 5.890 10.952 -9.888 1.00 0.00 N ATOM 188 CA GLU A 11 5.429 11.202 -11.248 1.00 0.00 C ATOM 189 C GLU A 11 4.530 12.431 -11.308 1.00 0.00 C ATOM 190 O GLU A 11 4.575 13.197 -12.270 1.00 0.00 O ATOM 191 CB GLU A 11 4.679 9.983 -11.790 1.00 0.00 C ATOM 192 CG GLU A 11 5.561 8.773 -12.063 1.00 0.00 C ATOM 193 CD GLU A 11 4.821 7.651 -12.736 1.00 0.00 C ATOM 194 OE1 GLU A 11 3.635 7.776 -12.927 1.00 0.00 O ATOM 195 OE2 GLU A 11 5.443 6.666 -13.061 1.00 0.00 O ATOM 196 H GLU A 11 5.571 10.124 -9.405 1.00 0.00 H ATOM 197 HA GLU A 11 6.300 11.375 -11.882 1.00 0.00 H ATOM 198 1HB GLU A 11 3.910 9.683 -11.078 1.00 0.00 H ATOM 199 2HB GLU A 11 4.178 10.249 -12.721 1.00 0.00 H ATOM 200 1HG GLU A 11 6.392 9.078 -12.699 1.00 0.00 H ATOM 201 2HG GLU A 11 5.972 8.417 -11.120 1.00 0.00 H ATOM 202 N ALA A 12 3.716 12.612 -10.275 1.00 0.00 N ATOM 203 CA ALA A 12 2.831 13.768 -10.191 1.00 0.00 C ATOM 204 C ALA A 12 3.623 15.070 -10.192 1.00 0.00 C ATOM 205 O ALA A 12 3.206 16.061 -10.791 1.00 0.00 O ATOM 206 CB ALA A 12 1.961 13.680 -8.946 1.00 0.00 C ATOM 207 H ALA A 12 3.708 11.932 -9.528 1.00 0.00 H ATOM 208 HA ALA A 12 2.169 13.762 -11.057 1.00 0.00 H ATOM 209 1HB ALA A 12 1.306 14.550 -8.897 1.00 0.00 H ATOM 210 2HB ALA A 12 1.357 12.773 -8.987 1.00 0.00 H ATOM 211 3HB ALA A 12 2.594 13.653 -8.061 1.00 0.00 H ATOM 212 N LEU A 13 4.769 15.059 -9.518 1.00 0.00 N ATOM 213 CA LEU A 13 5.603 16.250 -9.408 1.00 0.00 C ATOM 214 C LEU A 13 6.223 16.614 -10.750 1.00 0.00 C ATOM 215 O LEU A 13 6.267 17.786 -11.127 1.00 0.00 O ATOM 216 CB LEU A 13 6.710 16.028 -8.370 1.00 0.00 C ATOM 217 CG LEU A 13 7.561 17.258 -8.031 1.00 0.00 C ATOM 218 CD1 LEU A 13 6.674 18.343 -7.438 1.00 0.00 C ATOM 219 CD2 LEU A 13 8.663 16.861 -7.060 1.00 0.00 C ATOM 220 H LEU A 13 5.069 14.205 -9.071 1.00 0.00 H ATOM 221 HA LEU A 13 4.979 17.080 -9.074 1.00 0.00 H ATOM 222 1HB LEU A 13 6.253 15.677 -7.446 1.00 0.00 H ATOM 223 2HB LEU A 13 7.380 15.251 -8.737 1.00 0.00 H ATOM 224 HG LEU A 13 8.007 17.654 -8.944 1.00 0.00 H ATOM 225 1HD1 LEU A 13 7.279 19.217 -7.197 1.00 0.00 H ATOM 226 2HD1 LEU A 13 5.907 18.621 -8.160 1.00 0.00 H ATOM 227 3HD1 LEU A 13 6.200 17.970 -6.530 1.00 0.00 H ATOM 228 1HD2 LEU A 13 9.269 17.735 -6.820 1.00 0.00 H ATOM 229 2HD2 LEU A 13 8.219 16.466 -6.147 1.00 0.00 H ATOM 230 3HD2 LEU A 13 9.293 16.097 -7.517 1.00 0.00 H ATOM 231 N GLU A 14 6.702 15.606 -11.470 1.00 0.00 N ATOM 232 CA GLU A 14 7.338 15.820 -12.763 1.00 0.00 C ATOM 233 C GLU A 14 6.320 16.239 -13.815 1.00 0.00 C ATOM 234 O GLU A 14 6.617 17.051 -14.692 1.00 0.00 O ATOM 235 CB GLU A 14 8.064 14.551 -13.217 1.00 0.00 C ATOM 236 CG GLU A 14 9.296 14.203 -12.395 1.00 0.00 C ATOM 237 CD GLU A 14 10.029 13.000 -12.919 1.00 0.00 C ATOM 238 OE1 GLU A 14 9.543 12.387 -13.839 1.00 0.00 O ATOM 239 OE2 GLU A 14 11.076 12.693 -12.399 1.00 0.00 O ATOM 240 H GLU A 14 6.623 14.665 -11.110 1.00 0.00 H ATOM 241 HA GLU A 14 8.078 16.614 -12.657 1.00 0.00 H ATOM 242 1HB GLU A 14 7.379 13.704 -13.169 1.00 0.00 H ATOM 243 2HB GLU A 14 8.375 14.662 -14.256 1.00 0.00 H ATOM 244 1HG GLU A 14 9.974 15.056 -12.397 1.00 0.00 H ATOM 245 2HG GLU A 14 8.993 14.018 -11.365 1.00 0.00 H ATOM 246 N LYS A 15 5.118 15.681 -13.724 1.00 0.00 N ATOM 247 CA LYS A 15 4.081 15.926 -14.719 1.00 0.00 C ATOM 248 C LYS A 15 3.281 17.178 -14.384 1.00 0.00 C ATOM 249 O LYS A 15 2.372 17.560 -15.120 1.00 0.00 O ATOM 250 CB LYS A 15 3.148 14.719 -14.828 1.00 0.00 C ATOM 251 CG LYS A 15 3.806 13.463 -15.382 1.00 0.00 C ATOM 252 CD LYS A 15 2.823 12.303 -15.439 1.00 0.00 C ATOM 253 CE LYS A 15 3.500 11.025 -15.912 1.00 0.00 C ATOM 254 NZ LYS A 15 2.548 9.884 -15.985 1.00 0.00 N ATOM 255 H LYS A 15 4.917 15.070 -12.945 1.00 0.00 H ATOM 256 HA LYS A 15 4.559 16.065 -15.689 1.00 0.00 H ATOM 257 1HB LYS A 15 2.745 14.480 -13.844 1.00 0.00 H ATOM 258 2HB LYS A 15 2.306 14.968 -15.475 1.00 0.00 H ATOM 259 1HG LYS A 15 4.181 13.660 -16.387 1.00 0.00 H ATOM 260 2HG LYS A 15 4.648 13.184 -14.748 1.00 0.00 H ATOM 261 1HD LYS A 15 2.401 12.135 -14.448 1.00 0.00 H ATOM 262 2HD LYS A 15 2.012 12.547 -16.124 1.00 0.00 H ATOM 263 1HE LYS A 15 3.931 11.186 -16.900 1.00 0.00 H ATOM 264 2HE LYS A 15 4.307 10.765 -15.227 1.00 0.00 H ATOM 265 1HZ LYS A 15 3.035 9.058 -16.301 1.00 0.00 H ATOM 266 2HZ LYS A 15 2.156 9.714 -15.069 1.00 0.00 H ATOM 267 3HZ LYS A 15 1.805 10.106 -16.632 1.00 0.00 H ATOM 268 N ASN A 16 3.625 17.814 -13.269 1.00 0.00 N ATOM 269 CA ASN A 16 2.908 18.996 -12.809 1.00 0.00 C ATOM 270 C ASN A 16 1.413 18.726 -12.699 1.00 0.00 C ATOM 271 O ASN A 16 0.592 19.536 -13.128 1.00 0.00 O ATOM 272 CB ASN A 16 3.172 20.173 -13.731 1.00 0.00 C ATOM 273 CG ASN A 16 4.618 20.582 -13.746 1.00 0.00 C ATOM 274 OD1 ASN A 16 5.267 20.653 -12.696 1.00 0.00 O ATOM 275 ND2 ASN A 16 5.136 20.854 -14.916 1.00 0.00 N ATOM 276 H ASN A 16 4.404 17.469 -12.728 1.00 0.00 H ATOM 277 HA ASN A 16 3.265 19.251 -11.810 1.00 0.00 H ATOM 278 1HB ASN A 16 2.869 19.914 -14.747 1.00 0.00 H ATOM 279 2HB ASN A 16 2.568 21.024 -13.416 1.00 0.00 H ATOM 280 1HD2 ASN A 16 6.095 21.132 -14.987 1.00 0.00 H ATOM 281 2HD2 ASN A 16 4.574 20.784 -15.740 1.00 0.00 H ATOM 282 N THR A 17 1.065 17.581 -12.120 1.00 0.00 N ATOM 283 CA THR A 17 -0.332 17.197 -11.959 1.00 0.00 C ATOM 284 C THR A 17 -0.635 16.815 -10.516 1.00 0.00 C ATOM 285 O THR A 17 0.230 16.903 -9.646 1.00 0.00 O ATOM 286 CB THR A 17 -0.696 16.027 -12.892 1.00 0.00 C ATOM 287 OG1 THR A 17 -2.114 15.819 -12.870 1.00 0.00 O ATOM 288 CG2 THR A 17 0.007 14.753 -12.450 1.00 0.00 C ATOM 289 H THR A 17 1.788 16.960 -11.783 1.00 0.00 H ATOM 290 HA THR A 17 -0.957 18.047 -12.234 1.00 0.00 H ATOM 291 HB THR A 17 -0.394 16.267 -13.911 1.00 0.00 H ATOM 292 HG1 THR A 17 -2.382 15.357 -13.668 1.00 0.00 H ATOM 293 1HG2 THR A 17 -0.262 13.938 -13.120 1.00 0.00 H ATOM 294 2HG2 THR A 17 1.086 14.905 -12.477 1.00 0.00 H ATOM 295 3HG2 THR A 17 -0.299 14.503 -11.434 1.00 0.00 H ATOM 296 N THR A 18 -1.869 16.389 -10.270 1.00 0.00 N ATOM 297 CA THR A 18 -2.300 16.027 -8.924 1.00 0.00 C ATOM 298 C THR A 18 -2.790 14.585 -8.871 1.00 0.00 C ATOM 299 O THR A 18 -3.465 14.116 -9.786 1.00 0.00 O ATOM 300 CB THR A 18 -3.411 16.969 -8.425 1.00 0.00 C ATOM 301 OG1 THR A 18 -4.495 16.972 -9.364 1.00 0.00 O ATOM 302 CG2 THR A 18 -2.879 18.385 -8.266 1.00 0.00 C ATOM 303 H THR A 18 -2.525 16.313 -11.033 1.00 0.00 H ATOM 304 HA THR A 18 -1.450 16.133 -8.249 1.00 0.00 H ATOM 305 HB THR A 18 -3.783 16.616 -7.463 1.00 0.00 H ATOM 306 HG1 THR A 18 -4.891 16.098 -9.398 1.00 0.00 H ATOM 307 1HG2 THR A 18 -3.678 19.037 -7.913 1.00 0.00 H ATOM 308 2HG2 THR A 18 -2.062 18.388 -7.545 1.00 0.00 H ATOM 309 3HG2 THR A 18 -2.515 18.747 -9.227 1.00 0.00 H ATOM 310 N VAL A 19 -2.444 13.889 -7.794 1.00 0.00 N ATOM 311 CA VAL A 19 -2.844 12.497 -7.622 1.00 0.00 C ATOM 312 C VAL A 19 -3.401 12.252 -6.224 1.00 0.00 C ATOM 313 O VAL A 19 -3.204 13.061 -5.317 1.00 0.00 O ATOM 314 CB VAL A 19 -1.645 11.562 -7.864 1.00 0.00 C ATOM 315 CG1 VAL A 19 -1.139 11.705 -9.292 1.00 0.00 C ATOM 316 CG2 VAL A 19 -0.538 11.870 -6.867 1.00 0.00 C ATOM 317 H VAL A 19 -1.891 14.334 -7.075 1.00 0.00 H ATOM 318 HA VAL A 19 -3.621 12.267 -8.351 1.00 0.00 H ATOM 319 HB VAL A 19 -1.970 10.529 -7.740 1.00 0.00 H ATOM 320 1HG1 VAL A 19 -0.291 11.037 -9.446 1.00 0.00 H ATOM 321 2HG1 VAL A 19 -1.936 11.444 -9.988 1.00 0.00 H ATOM 322 3HG1 VAL A 19 -0.825 12.734 -9.466 1.00 0.00 H ATOM 323 1HG2 VAL A 19 0.307 11.205 -7.044 1.00 0.00 H ATOM 324 2HG2 VAL A 19 -0.217 12.905 -6.987 1.00 0.00 H ATOM 325 3HG2 VAL A 19 -0.911 11.722 -5.853 1.00 0.00 H ATOM 326 N VAL A 20 -4.095 11.133 -6.057 1.00 0.00 N ATOM 327 CA VAL A 20 -4.520 10.684 -4.736 1.00 0.00 C ATOM 328 C VAL A 20 -4.144 9.227 -4.501 1.00 0.00 C ATOM 329 O VAL A 20 -4.381 8.370 -5.351 1.00 0.00 O ATOM 330 CB VAL A 20 -6.044 10.849 -4.580 1.00 0.00 C ATOM 331 CG1 VAL A 20 -6.491 10.389 -3.201 1.00 0.00 C ATOM 332 CG2 VAL A 20 -6.434 12.300 -4.818 1.00 0.00 C ATOM 333 H VAL A 20 -4.335 10.577 -6.865 1.00 0.00 H ATOM 334 HA VAL A 20 -4.023 11.300 -3.985 1.00 0.00 H ATOM 335 HB VAL A 20 -6.545 10.213 -5.310 1.00 0.00 H ATOM 336 1HG1 VAL A 20 -7.571 10.513 -3.108 1.00 0.00 H ATOM 337 2HG1 VAL A 20 -6.234 9.339 -3.067 1.00 0.00 H ATOM 338 3HG1 VAL A 20 -5.992 10.987 -2.438 1.00 0.00 H ATOM 339 1HG2 VAL A 20 -7.513 12.409 -4.707 1.00 0.00 H ATOM 340 2HG2 VAL A 20 -5.928 12.937 -4.092 1.00 0.00 H ATOM 341 3HG2 VAL A 20 -6.142 12.595 -5.826 1.00 0.00 H ATOM 342 N ALA A 21 -3.556 8.954 -3.342 1.00 0.00 N ATOM 343 CA ALA A 21 -3.211 7.589 -2.961 1.00 0.00 C ATOM 344 C ALA A 21 -3.183 7.431 -1.446 1.00 0.00 C ATOM 345 O ALA A 21 -2.777 8.341 -0.724 1.00 0.00 O ATOM 346 CB ALA A 21 -1.869 7.195 -3.558 1.00 0.00 C ATOM 347 H ALA A 21 -3.341 9.711 -2.708 1.00 0.00 H ATOM 348 HA ALA A 21 -3.965 6.915 -3.370 1.00 0.00 H ATOM 349 1HB ALA A 21 -1.625 6.174 -3.265 1.00 0.00 H ATOM 350 2HB ALA A 21 -1.922 7.257 -4.645 1.00 0.00 H ATOM 351 3HB ALA A 21 -1.096 7.871 -3.194 1.00 0.00 H ATOM 352 N LEU A 22 -3.619 6.269 -0.970 1.00 0.00 N ATOM 353 CA LEU A 22 -3.514 5.933 0.445 1.00 0.00 C ATOM 354 C LEU A 22 -4.236 6.959 1.309 1.00 0.00 C ATOM 355 O LEU A 22 -3.908 7.138 2.482 1.00 0.00 O ATOM 356 CB LEU A 22 -2.041 5.849 0.863 1.00 0.00 C ATOM 357 CG LEU A 22 -1.348 4.507 0.593 1.00 0.00 C ATOM 358 CD1 LEU A 22 -1.061 4.373 -0.896 1.00 0.00 C ATOM 359 CD2 LEU A 22 -0.065 4.425 1.407 1.00 0.00 C ATOM 360 H LEU A 22 -4.032 5.601 -1.605 1.00 0.00 H ATOM 361 HA LEU A 22 -3.980 4.961 0.605 1.00 0.00 H ATOM 362 1HB LEU A 22 -1.485 6.621 0.333 1.00 0.00 H ATOM 363 2HB LEU A 22 -1.971 6.050 1.932 1.00 0.00 H ATOM 364 HG LEU A 22 -2.012 3.691 0.880 1.00 0.00 H ATOM 365 1HD1 LEU A 22 -0.569 3.420 -1.087 1.00 0.00 H ATOM 366 2HD1 LEU A 22 -1.998 4.416 -1.452 1.00 0.00 H ATOM 367 3HD1 LEU A 22 -0.411 5.187 -1.216 1.00 0.00 H ATOM 368 1HD2 LEU A 22 0.426 3.471 1.216 1.00 0.00 H ATOM 369 2HD2 LEU A 22 0.600 5.240 1.121 1.00 0.00 H ATOM 370 3HD2 LEU A 22 -0.302 4.506 2.468 1.00 0.00 H ATOM 371 N GLY A 23 -5.221 7.631 0.722 1.00 0.00 N ATOM 372 CA GLY A 23 -6.049 8.578 1.461 1.00 0.00 C ATOM 373 C GLY A 23 -5.410 9.960 1.493 1.00 0.00 C ATOM 374 O GLY A 23 -5.971 10.900 2.056 1.00 0.00 O ATOM 375 H GLY A 23 -5.400 7.483 -0.260 1.00 0.00 H ATOM 376 1HA GLY A 23 -7.034 8.638 0.997 1.00 0.00 H ATOM 377 2HA GLY A 23 -6.194 8.216 2.478 1.00 0.00 H ATOM 378 N PHE A 24 -4.234 10.077 0.886 1.00 0.00 N ATOM 379 CA PHE A 24 -3.517 11.346 0.846 1.00 0.00 C ATOM 380 C PHE A 24 -3.826 12.114 -0.434 1.00 0.00 C ATOM 381 O PHE A 24 -3.643 11.599 -1.537 1.00 0.00 O ATOM 382 CB PHE A 24 -2.009 11.110 0.954 1.00 0.00 C ATOM 383 CG PHE A 24 -1.578 10.541 2.276 1.00 0.00 C ATOM 384 CD1 PHE A 24 -1.559 9.170 2.484 1.00 0.00 C ATOM 385 CD2 PHE A 24 -1.191 11.376 3.314 1.00 0.00 C ATOM 386 CE1 PHE A 24 -1.162 8.646 3.700 1.00 0.00 C ATOM 387 CE2 PHE A 24 -0.793 10.854 4.530 1.00 0.00 C ATOM 388 CZ PHE A 24 -0.779 9.488 4.723 1.00 0.00 C ATOM 389 H PHE A 24 -3.827 9.267 0.441 1.00 0.00 H ATOM 390 HA PHE A 24 -3.829 11.948 1.700 1.00 0.00 H ATOM 391 1HB PHE A 24 -1.691 10.425 0.169 1.00 0.00 H ATOM 392 2HB PHE A 24 -1.482 12.051 0.800 1.00 0.00 H ATOM 393 HD1 PHE A 24 -1.860 8.504 1.675 1.00 0.00 H ATOM 394 HD2 PHE A 24 -1.203 12.455 3.161 1.00 0.00 H ATOM 395 HE1 PHE A 24 -1.152 7.567 3.850 1.00 0.00 H ATOM 396 HE2 PHE A 24 -0.491 11.521 5.337 1.00 0.00 H ATOM 397 HZ PHE A 24 -0.468 9.075 5.681 1.00 0.00 H ATOM 398 N ILE A 25 -4.295 13.347 -0.279 1.00 0.00 N ATOM 399 CA ILE A 25 -4.669 14.173 -1.420 1.00 0.00 C ATOM 400 C ILE A 25 -3.723 15.357 -1.576 1.00 0.00 C ATOM 401 O ILE A 25 -3.523 16.132 -0.641 1.00 0.00 O ATOM 402 CB ILE A 25 -6.114 14.685 -1.277 1.00 0.00 C ATOM 403 CG1 ILE A 25 -7.092 13.510 -1.208 1.00 0.00 C ATOM 404 CG2 ILE A 25 -6.467 15.609 -2.432 1.00 0.00 C ATOM 405 CD1 ILE A 25 -8.486 13.900 -0.771 1.00 0.00 C ATOM 406 H ILE A 25 -4.396 13.722 0.654 1.00 0.00 H ATOM 407 HA ILE A 25 -4.617 13.562 -2.322 1.00 0.00 H ATOM 408 HB ILE A 25 -6.214 15.234 -0.341 1.00 0.00 H ATOM 409 1HG1 ILE A 25 -7.161 13.036 -2.186 1.00 0.00 H ATOM 410 2HG1 ILE A 25 -6.714 12.762 -0.509 1.00 0.00 H ATOM 411 1HG2 ILE A 25 -7.492 15.961 -2.315 1.00 0.00 H ATOM 412 2HG2 ILE A 25 -5.790 16.461 -2.436 1.00 0.00 H ATOM 413 3HG2 ILE A 25 -6.375 15.067 -3.373 1.00 0.00 H ATOM 414 1HD1 ILE A 25 -9.121 13.014 -0.746 1.00 0.00 H ATOM 415 2HD1 ILE A 25 -8.445 14.345 0.223 1.00 0.00 H ATOM 416 3HD1 ILE A 25 -8.898 14.621 -1.475 1.00 0.00 H ATOM 417 N VAL A 26 -3.142 15.491 -2.764 1.00 0.00 N ATOM 418 CA VAL A 26 -2.308 16.642 -3.083 1.00 0.00 C ATOM 419 C VAL A 26 -2.941 17.495 -4.175 1.00 0.00 C ATOM 420 O VAL A 26 -3.371 16.982 -5.207 1.00 0.00 O ATOM 421 CB VAL A 26 -0.912 16.180 -3.542 1.00 0.00 C ATOM 422 CG1 VAL A 26 -0.117 15.638 -2.363 1.00 0.00 C ATOM 423 CG2 VAL A 26 -1.047 15.127 -4.631 1.00 0.00 C ATOM 424 H VAL A 26 -3.282 14.775 -3.463 1.00 0.00 H ATOM 425 HA VAL A 26 -2.197 17.250 -2.184 1.00 0.00 H ATOM 426 HB VAL A 26 -0.365 17.039 -3.931 1.00 0.00 H ATOM 427 1HG1 VAL A 26 0.867 15.317 -2.705 1.00 0.00 H ATOM 428 2HG1 VAL A 26 -0.001 16.420 -1.612 1.00 0.00 H ATOM 429 3HG1 VAL A 26 -0.644 14.790 -1.928 1.00 0.00 H ATOM 430 1HG2 VAL A 26 -0.056 14.805 -4.951 1.00 0.00 H ATOM 431 2HG2 VAL A 26 -1.599 14.271 -4.243 1.00 0.00 H ATOM 432 3HG2 VAL A 26 -1.583 15.549 -5.481 1.00 0.00 H ATOM 433 N THR A 27 -2.996 18.802 -3.940 1.00 0.00 N ATOM 434 CA THR A 27 -3.679 19.716 -4.849 1.00 0.00 C ATOM 435 C THR A 27 -2.699 20.687 -5.493 1.00 0.00 C ATOM 436 O THR A 27 -3.093 21.559 -6.269 1.00 0.00 O ATOM 437 CB THR A 27 -4.782 20.504 -4.118 1.00 0.00 C ATOM 438 OG1 THR A 27 -4.198 21.294 -3.075 1.00 0.00 O ATOM 439 CG2 THR A 27 -5.806 19.554 -3.515 1.00 0.00 C ATOM 440 H THR A 27 -2.553 19.173 -3.111 1.00 0.00 H ATOM 441 HA THR A 27 -4.158 19.129 -5.634 1.00 0.00 H ATOM 442 HB THR A 27 -5.282 21.168 -4.822 1.00 0.00 H ATOM 443 HG1 THR A 27 -3.903 22.133 -3.437 1.00 0.00 H ATOM 444 1HG2 THR A 27 -6.578 20.128 -3.003 1.00 0.00 H ATOM 445 2HG2 THR A 27 -6.261 18.959 -4.307 1.00 0.00 H ATOM 446 3HG2 THR A 27 -5.314 18.893 -2.803 1.00 0.00 H ATOM 447 N SER A 28 -1.421 20.534 -5.165 1.00 0.00 N ATOM 448 CA SER A 28 -0.389 21.438 -5.662 1.00 0.00 C ATOM 449 C SER A 28 0.972 20.755 -5.695 1.00 0.00 C ATOM 450 O SER A 28 1.173 19.719 -5.062 1.00 0.00 O ATOM 451 CB SER A 28 -0.321 22.679 -4.793 1.00 0.00 C ATOM 452 OG SER A 28 0.169 22.373 -3.517 1.00 0.00 O ATOM 453 H SER A 28 -1.155 19.772 -4.559 1.00 0.00 H ATOM 454 HA SER A 28 -0.653 21.741 -6.675 1.00 0.00 H ATOM 455 1HB SER A 28 0.325 23.419 -5.266 1.00 0.00 H ATOM 456 2HB SER A 28 -1.314 23.119 -4.709 1.00 0.00 H ATOM 457 HG SER A 28 0.084 23.178 -3.000 1.00 0.00 H ATOM 458 N GLU A 29 1.904 21.342 -6.438 1.00 0.00 N ATOM 459 CA GLU A 29 3.262 20.816 -6.519 1.00 0.00 C ATOM 460 C GLU A 29 3.949 20.851 -5.160 1.00 0.00 C ATOM 461 O GLU A 29 4.706 19.944 -4.813 1.00 0.00 O ATOM 462 CB GLU A 29 4.083 21.613 -7.536 1.00 0.00 C ATOM 463 CG GLU A 29 3.564 21.530 -8.965 1.00 0.00 C ATOM 464 CD GLU A 29 2.427 22.478 -9.230 1.00 0.00 C ATOM 465 OE1 GLU A 29 2.037 23.175 -8.325 1.00 0.00 O ATOM 466 OE2 GLU A 29 1.948 22.504 -10.339 1.00 0.00 O ATOM 467 H GLU A 29 1.667 22.174 -6.958 1.00 0.00 H ATOM 468 HA GLU A 29 3.212 19.781 -6.860 1.00 0.00 H ATOM 469 1HB GLU A 29 4.100 22.663 -7.247 1.00 0.00 H ATOM 470 2HB GLU A 29 5.112 21.255 -7.533 1.00 0.00 H ATOM 471 1HG GLU A 29 4.380 21.760 -9.650 1.00 0.00 H ATOM 472 2HG GLU A 29 3.235 20.511 -9.163 1.00 0.00 H ATOM 473 N GLU A 30 3.682 21.902 -4.394 1.00 0.00 N ATOM 474 CA GLU A 30 4.269 22.055 -3.068 1.00 0.00 C ATOM 475 C GLU A 30 3.749 20.992 -2.110 1.00 0.00 C ATOM 476 O GLU A 30 4.497 20.464 -1.287 1.00 0.00 O ATOM 477 CB GLU A 30 3.973 23.448 -2.509 1.00 0.00 C ATOM 478 CG GLU A 30 4.694 24.580 -3.227 1.00 0.00 C ATOM 479 CD GLU A 30 4.354 25.935 -2.672 1.00 0.00 C ATOM 480 OE1 GLU A 30 3.436 26.024 -1.892 1.00 0.00 O ATOM 481 OE2 GLU A 30 5.011 26.884 -3.030 1.00 0.00 O ATOM 482 H GLU A 30 3.054 22.616 -4.739 1.00 0.00 H ATOM 483 HA GLU A 30 5.351 21.948 -3.156 1.00 0.00 H ATOM 484 1HB GLU A 30 2.902 23.644 -2.569 1.00 0.00 H ATOM 485 2HB GLU A 30 4.254 23.486 -1.457 1.00 0.00 H ATOM 486 1HG GLU A 30 5.769 24.424 -3.139 1.00 0.00 H ATOM 487 2HG GLU A 30 4.435 24.550 -4.284 1.00 0.00 H ATOM 488 N ALA A 31 2.462 20.682 -2.221 1.00 0.00 N ATOM 489 CA ALA A 31 1.858 19.620 -1.425 1.00 0.00 C ATOM 490 C ALA A 31 2.502 18.272 -1.727 1.00 0.00 C ATOM 491 O ALA A 31 2.685 17.446 -0.832 1.00 0.00 O ATOM 492 CB ALA A 31 0.359 19.558 -1.675 1.00 0.00 C ATOM 493 H ALA A 31 1.886 21.195 -2.872 1.00 0.00 H ATOM 494 HA ALA A 31 2.008 19.849 -0.369 1.00 0.00 H ATOM 495 1HB ALA A 31 -0.078 18.760 -1.074 1.00 0.00 H ATOM 496 2HB ALA A 31 -0.096 20.510 -1.400 1.00 0.00 H ATOM 497 3HB ALA A 31 0.174 19.359 -2.730 1.00 0.00 H ATOM 498 N ILE A 32 2.843 18.055 -2.993 1.00 0.00 N ATOM 499 CA ILE A 32 3.493 16.819 -3.410 1.00 0.00 C ATOM 500 C ILE A 32 4.899 16.713 -2.834 1.00 0.00 C ATOM 501 O ILE A 32 5.290 15.669 -2.314 1.00 0.00 O ATOM 502 CB ILE A 32 3.558 16.724 -4.945 1.00 0.00 C ATOM 503 CG1 ILE A 32 2.151 16.584 -5.531 1.00 0.00 C ATOM 504 CG2 ILE A 32 4.433 15.554 -5.369 1.00 0.00 C ATOM 505 CD1 ILE A 32 2.088 16.799 -7.026 1.00 0.00 C ATOM 506 H ILE A 32 2.648 18.767 -3.683 1.00 0.00 H ATOM 507 HA ILE A 32 2.902 15.978 -3.046 1.00 0.00 H ATOM 508 HB ILE A 32 3.978 17.644 -5.349 1.00 0.00 H ATOM 509 1HG1 ILE A 32 1.763 15.589 -5.313 1.00 0.00 H ATOM 510 2HG1 ILE A 32 1.485 17.305 -5.056 1.00 0.00 H ATOM 511 1HG2 ILE A 32 4.468 15.501 -6.457 1.00 0.00 H ATOM 512 2HG2 ILE A 32 5.441 15.695 -4.981 1.00 0.00 H ATOM 513 3HG2 ILE A 32 4.018 14.627 -4.974 1.00 0.00 H ATOM 514 1HD1 ILE A 32 1.059 16.684 -7.368 1.00 0.00 H ATOM 515 2HD1 ILE A 32 2.439 17.804 -7.264 1.00 0.00 H ATOM 516 3HD1 ILE A 32 2.719 16.066 -7.526 1.00 0.00 H ATOM 517 N LYS A 33 5.656 17.801 -2.932 1.00 0.00 N ATOM 518 CA LYS A 33 7.022 17.833 -2.423 1.00 0.00 C ATOM 519 C LYS A 33 7.069 17.458 -0.948 1.00 0.00 C ATOM 520 O LYS A 33 7.907 16.661 -0.527 1.00 0.00 O ATOM 521 CB LYS A 33 7.641 19.215 -2.635 1.00 0.00 C ATOM 522 CG LYS A 33 7.984 19.536 -4.084 1.00 0.00 C ATOM 523 CD LYS A 33 8.584 20.928 -4.215 1.00 0.00 C ATOM 524 CE LYS A 33 8.877 21.271 -5.668 1.00 0.00 C ATOM 525 NZ LYS A 33 9.479 22.624 -5.810 1.00 0.00 N ATOM 526 H LYS A 33 5.274 18.628 -3.368 1.00 0.00 H ATOM 527 HA LYS A 33 7.617 17.112 -2.986 1.00 0.00 H ATOM 528 1HB LYS A 33 6.952 19.981 -2.277 1.00 0.00 H ATOM 529 2HB LYS A 33 8.556 19.298 -2.048 1.00 0.00 H ATOM 530 1HG LYS A 33 8.701 18.804 -4.459 1.00 0.00 H ATOM 531 2HG LYS A 33 7.082 19.479 -4.692 1.00 0.00 H ATOM 532 1HD LYS A 33 7.888 21.664 -3.809 1.00 0.00 H ATOM 533 2HD LYS A 33 9.512 20.979 -3.645 1.00 0.00 H ATOM 534 1HE LYS A 33 9.564 20.535 -6.084 1.00 0.00 H ATOM 535 2HE LYS A 33 7.952 21.237 -6.243 1.00 0.00 H ATOM 536 1HZ LYS A 33 9.658 22.813 -6.786 1.00 0.00 H ATOM 537 2HZ LYS A 33 8.842 23.317 -5.444 1.00 0.00 H ATOM 538 3HZ LYS A 33 10.348 22.662 -5.296 1.00 0.00 H ATOM 539 N ARG A 34 6.166 18.039 -0.166 1.00 0.00 N ATOM 540 CA ARG A 34 6.121 17.789 1.270 1.00 0.00 C ATOM 541 C ARG A 34 5.721 16.349 1.565 1.00 0.00 C ATOM 542 O ARG A 34 6.252 15.723 2.483 1.00 0.00 O ATOM 543 CB ARG A 34 5.139 18.734 1.948 1.00 0.00 C ATOM 544 CG ARG A 34 5.586 20.186 2.007 1.00 0.00 C ATOM 545 CD ARG A 34 4.776 20.971 2.973 1.00 0.00 C ATOM 546 NE ARG A 34 3.368 20.989 2.611 1.00 0.00 N ATOM 547 CZ ARG A 34 2.797 21.905 1.805 1.00 0.00 C ATOM 548 NH1 ARG A 34 3.525 22.869 1.287 1.00 0.00 N ATOM 549 NH2 ARG A 34 1.505 21.835 1.537 1.00 0.00 N ATOM 550 H ARG A 34 5.492 18.670 -0.577 1.00 0.00 H ATOM 551 HA ARG A 34 7.114 17.969 1.684 1.00 0.00 H ATOM 552 1HB ARG A 34 4.185 18.704 1.423 1.00 0.00 H ATOM 553 2HB ARG A 34 4.961 18.402 2.970 1.00 0.00 H ATOM 554 1HG ARG A 34 6.630 20.233 2.317 1.00 0.00 H ATOM 555 2HG ARG A 34 5.480 20.640 1.021 1.00 0.00 H ATOM 556 1HD ARG A 34 4.867 20.532 3.966 1.00 0.00 H ATOM 557 2HD ARG A 34 5.135 21.999 2.997 1.00 0.00 H ATOM 558 HE ARG A 34 2.775 20.263 2.992 1.00 0.00 H ATOM 559 1HH1 ARG A 34 4.512 22.923 1.492 1.00 0.00 H ATOM 560 2HH1 ARG A 34 3.096 23.556 0.683 1.00 0.00 H ATOM 561 1HH2 ARG A 34 0.945 21.094 1.936 1.00 0.00 H ATOM 562 2HH2 ARG A 34 1.077 22.521 0.933 1.00 0.00 H ATOM 563 N LEU A 35 4.782 15.828 0.783 1.00 0.00 N ATOM 564 CA LEU A 35 4.248 14.492 1.013 1.00 0.00 C ATOM 565 C LEU A 35 5.213 13.421 0.522 1.00 0.00 C ATOM 566 O LEU A 35 5.215 12.296 1.023 1.00 0.00 O ATOM 567 CB LEU A 35 2.896 14.333 0.306 1.00 0.00 C ATOM 568 CG LEU A 35 2.160 13.012 0.567 1.00 0.00 C ATOM 569 CD1 LEU A 35 1.868 12.878 2.056 1.00 0.00 C ATOM 570 CD2 LEU A 35 0.875 12.977 -0.247 1.00 0.00 C ATOM 571 H LEU A 35 4.430 16.372 0.008 1.00 0.00 H ATOM 572 HA LEU A 35 4.095 14.360 2.085 1.00 0.00 H ATOM 573 1HB LEU A 35 2.241 15.144 0.622 1.00 0.00 H ATOM 574 2HB LEU A 35 3.053 14.418 -0.769 1.00 0.00 H ATOM 575 HG LEU A 35 2.797 12.177 0.275 1.00 0.00 H ATOM 576 1HD1 LEU A 35 1.346 11.939 2.241 1.00 0.00 H ATOM 577 2HD1 LEU A 35 2.806 12.886 2.612 1.00 0.00 H ATOM 578 3HD1 LEU A 35 1.245 13.710 2.381 1.00 0.00 H ATOM 579 1HD2 LEU A 35 0.352 12.038 -0.062 1.00 0.00 H ATOM 580 2HD2 LEU A 35 0.236 13.811 0.045 1.00 0.00 H ATOM 581 3HD2 LEU A 35 1.114 13.057 -1.308 1.00 0.00 H ATOM 582 N LEU A 36 6.034 13.776 -0.461 1.00 0.00 N ATOM 583 CA LEU A 36 7.103 12.898 -0.921 1.00 0.00 C ATOM 584 C LEU A 36 8.101 12.615 0.194 1.00 0.00 C ATOM 585 O LEU A 36 8.499 11.470 0.410 1.00 0.00 O ATOM 586 CB LEU A 36 7.829 13.529 -2.116 1.00 0.00 C ATOM 587 CG LEU A 36 7.120 13.396 -3.470 1.00 0.00 C ATOM 588 CD1 LEU A 36 7.780 14.322 -4.483 1.00 0.00 C ATOM 589 CD2 LEU A 36 7.179 11.948 -3.934 1.00 0.00 C ATOM 590 H LEU A 36 5.913 14.677 -0.901 1.00 0.00 H ATOM 591 HA LEU A 36 6.662 11.954 -1.243 1.00 0.00 H ATOM 592 1HB LEU A 36 7.968 14.590 -1.918 1.00 0.00 H ATOM 593 2HB LEU A 36 8.812 13.066 -2.210 1.00 0.00 H ATOM 594 HG LEU A 36 6.079 13.702 -3.368 1.00 0.00 H ATOM 595 1HD1 LEU A 36 7.276 14.228 -5.445 1.00 0.00 H ATOM 596 2HD1 LEU A 36 7.707 15.352 -4.135 1.00 0.00 H ATOM 597 3HD1 LEU A 36 8.829 14.050 -4.595 1.00 0.00 H ATOM 598 1HD2 LEU A 36 6.674 11.853 -4.896 1.00 0.00 H ATOM 599 2HD2 LEU A 36 8.220 11.641 -4.039 1.00 0.00 H ATOM 600 3HD2 LEU A 36 6.684 11.310 -3.201 1.00 0.00 H ATOM 601 N GLU A 37 8.504 13.666 0.901 1.00 0.00 N ATOM 602 CA GLU A 37 9.400 13.522 2.043 1.00 0.00 C ATOM 603 C GLU A 37 8.768 12.667 3.135 1.00 0.00 C ATOM 604 O GLU A 37 9.439 11.846 3.759 1.00 0.00 O ATOM 605 CB GLU A 37 9.769 14.896 2.608 1.00 0.00 C ATOM 606 CG GLU A 37 10.697 15.712 1.718 1.00 0.00 C ATOM 607 CD GLU A 37 11.042 17.052 2.307 1.00 0.00 C ATOM 608 OE1 GLU A 37 10.405 17.445 3.255 1.00 0.00 O ATOM 609 OE2 GLU A 37 11.943 17.683 1.807 1.00 0.00 O ATOM 610 H GLU A 37 8.182 14.587 0.641 1.00 0.00 H ATOM 611 HA GLU A 37 10.317 13.038 1.706 1.00 0.00 H ATOM 612 1HB GLU A 37 8.862 15.479 2.769 1.00 0.00 H ATOM 613 2HB GLU A 37 10.256 14.773 3.575 1.00 0.00 H ATOM 614 1HG GLU A 37 11.617 15.151 1.559 1.00 0.00 H ATOM 615 2HG GLU A 37 10.219 15.858 0.750 1.00 0.00 H ATOM 616 N PHE A 38 7.474 12.865 3.359 1.00 0.00 N ATOM 617 CA PHE A 38 6.725 12.040 4.300 1.00 0.00 C ATOM 618 C PHE A 38 6.790 10.568 3.913 1.00 0.00 C ATOM 619 O PHE A 38 7.119 9.714 4.737 1.00 0.00 O ATOM 620 CB PHE A 38 5.265 12.493 4.363 1.00 0.00 C ATOM 621 CG PHE A 38 4.337 11.466 4.946 1.00 0.00 C ATOM 622 CD1 PHE A 38 4.229 11.309 6.320 1.00 0.00 C ATOM 623 CD2 PHE A 38 3.571 10.654 4.124 1.00 0.00 C ATOM 624 CE1 PHE A 38 3.375 10.365 6.859 1.00 0.00 C ATOM 625 CE2 PHE A 38 2.716 9.710 4.659 1.00 0.00 C ATOM 626 CZ PHE A 38 2.619 9.565 6.028 1.00 0.00 C ATOM 627 H PHE A 38 6.997 13.607 2.868 1.00 0.00 H ATOM 628 HA PHE A 38 7.162 12.162 5.291 1.00 0.00 H ATOM 629 1HB PHE A 38 5.191 13.399 4.963 1.00 0.00 H ATOM 630 2HB PHE A 38 4.916 12.735 3.360 1.00 0.00 H ATOM 631 HD1 PHE A 38 4.826 11.942 6.977 1.00 0.00 H ATOM 632 HD2 PHE A 38 3.648 10.769 3.042 1.00 0.00 H ATOM 633 HE1 PHE A 38 3.300 10.252 7.940 1.00 0.00 H ATOM 634 HE2 PHE A 38 2.119 9.079 4.001 1.00 0.00 H ATOM 635 HZ PHE A 38 1.947 8.820 6.451 1.00 0.00 H ATOM 636 N ALA A 39 6.476 10.277 2.655 1.00 0.00 N ATOM 637 CA ALA A 39 6.440 8.902 2.174 1.00 0.00 C ATOM 638 C ALA A 39 7.795 8.225 2.337 1.00 0.00 C ATOM 639 O ALA A 39 7.874 7.049 2.694 1.00 0.00 O ATOM 640 CB ALA A 39 6.000 8.862 0.717 1.00 0.00 C ATOM 641 H ALA A 39 6.257 11.029 2.017 1.00 0.00 H ATOM 642 HA ALA A 39 5.701 8.350 2.756 1.00 0.00 H ATOM 643 1HB ALA A 39 5.978 7.828 0.372 1.00 0.00 H ATOM 644 2HB ALA A 39 5.005 9.297 0.626 1.00 0.00 H ATOM 645 3HB ALA A 39 6.702 9.431 0.110 1.00 0.00 H ATOM 646 N GLU A 40 8.861 8.975 2.074 1.00 0.00 N ATOM 647 CA GLU A 40 10.214 8.437 2.155 1.00 0.00 C ATOM 648 C GLU A 40 10.562 8.036 3.583 1.00 0.00 C ATOM 649 O GLU A 40 11.243 7.035 3.808 1.00 0.00 O ATOM 650 CB GLU A 40 11.227 9.463 1.641 1.00 0.00 C ATOM 651 CG GLU A 40 11.222 9.648 0.130 1.00 0.00 C ATOM 652 CD GLU A 40 12.222 10.669 -0.337 1.00 0.00 C ATOM 653 OE1 GLU A 40 12.732 11.392 0.485 1.00 0.00 O ATOM 654 OE2 GLU A 40 12.477 10.724 -1.517 1.00 0.00 O ATOM 655 H GLU A 40 8.730 9.940 1.810 1.00 0.00 H ATOM 656 HA GLU A 40 10.274 7.554 1.519 1.00 0.00 H ATOM 657 1HB GLU A 40 11.027 10.432 2.098 1.00 0.00 H ATOM 658 2HB GLU A 40 12.231 9.162 1.938 1.00 0.00 H ATOM 659 1HG GLU A 40 11.446 8.693 -0.343 1.00 0.00 H ATOM 660 2HG GLU A 40 10.225 9.953 -0.184 1.00 0.00 H ATOM 661 N ARG A 41 10.092 8.823 4.544 1.00 0.00 N ATOM 662 CA ARG A 41 10.369 8.562 5.952 1.00 0.00 C ATOM 663 C ARG A 41 9.626 7.325 6.440 1.00 0.00 C ATOM 664 O ARG A 41 10.139 6.564 7.261 1.00 0.00 O ATOM 665 CB ARG A 41 9.974 9.758 6.806 1.00 0.00 C ATOM 666 CG ARG A 41 10.886 10.967 6.675 1.00 0.00 C ATOM 667 CD ARG A 41 10.707 11.915 7.804 1.00 0.00 C ATOM 668 NE ARG A 41 9.342 12.412 7.883 1.00 0.00 N ATOM 669 CZ ARG A 41 8.891 13.513 7.252 1.00 0.00 C ATOM 670 NH1 ARG A 41 9.705 14.220 6.500 1.00 0.00 N ATOM 671 NH2 ARG A 41 7.629 13.882 7.388 1.00 0.00 N ATOM 672 H ARG A 41 9.527 9.622 4.295 1.00 0.00 H ATOM 673 HA ARG A 41 11.441 8.395 6.068 1.00 0.00 H ATOM 674 1HB ARG A 41 8.966 10.075 6.542 1.00 0.00 H ATOM 675 2HB ARG A 41 9.961 9.466 7.856 1.00 0.00 H ATOM 676 1HG ARG A 41 11.926 10.638 6.665 1.00 0.00 H ATOM 677 2HG ARG A 41 10.663 11.493 5.746 1.00 0.00 H ATOM 678 1HD ARG A 41 10.942 11.413 8.742 1.00 0.00 H ATOM 679 2HD ARG A 41 11.372 12.767 7.672 1.00 0.00 H ATOM 680 HE ARG A 41 8.686 11.894 8.453 1.00 0.00 H ATOM 681 1HH1 ARG A 41 10.670 13.937 6.396 1.00 0.00 H ATOM 682 2HH1 ARG A 41 9.367 15.045 6.026 1.00 0.00 H ATOM 683 1HH2 ARG A 41 7.003 13.339 7.966 1.00 0.00 H ATOM 684 2HH2 ARG A 41 7.291 14.707 6.915 1.00 0.00 H ATOM 685 N VAL A 42 8.414 7.129 5.930 1.00 0.00 N ATOM 686 CA VAL A 42 7.571 6.021 6.361 1.00 0.00 C ATOM 687 C VAL A 42 8.072 4.697 5.798 1.00 0.00 C ATOM 688 O VAL A 42 8.131 3.692 6.507 1.00 0.00 O ATOM 689 CB VAL A 42 6.116 6.249 5.911 1.00 0.00 C ATOM 690 CG1 VAL A 42 5.267 5.022 6.209 1.00 0.00 C ATOM 691 CG2 VAL A 42 5.547 7.479 6.602 1.00 0.00 C ATOM 692 H VAL A 42 8.068 7.765 5.226 1.00 0.00 H ATOM 693 HA VAL A 42 7.597 5.970 7.451 1.00 0.00 H ATOM 694 HB VAL A 42 6.099 6.397 4.831 1.00 0.00 H ATOM 695 1HG1 VAL A 42 4.242 5.201 5.884 1.00 0.00 H ATOM 696 2HG1 VAL A 42 5.672 4.162 5.676 1.00 0.00 H ATOM 697 3HG1 VAL A 42 5.278 4.824 7.281 1.00 0.00 H ATOM 698 1HG2 VAL A 42 4.519 7.635 6.278 1.00 0.00 H ATOM 699 2HG2 VAL A 42 5.570 7.333 7.682 1.00 0.00 H ATOM 700 3HG2 VAL A 42 6.146 8.352 6.341 1.00 0.00 H ATOM 701 N ILE A 43 8.432 4.702 4.519 1.00 0.00 N ATOM 702 CA ILE A 43 8.845 3.483 3.835 1.00 0.00 C ATOM 703 C ILE A 43 10.128 2.923 4.434 1.00 0.00 C ATOM 704 O ILE A 43 10.965 3.669 4.943 1.00 0.00 O ATOM 705 OXT ILE A 43 10.333 1.740 4.414 1.00 0.00 O ATOM 706 CB ILE A 43 9.049 3.739 2.331 1.00 0.00 C ATOM 707 CG1 ILE A 43 7.720 4.112 1.668 1.00 0.00 C ATOM 708 CG2 ILE A 43 9.658 2.517 1.661 1.00 0.00 C ATOM 709 CD1 ILE A 43 7.876 4.770 0.316 1.00 0.00 C ATOM 710 H ILE A 43 8.419 5.573 4.008 1.00 0.00 H ATOM 711 HA ILE A 43 8.054 2.740 3.944 1.00 0.00 H ATOM 712 HB ILE A 43 9.718 4.588 2.194 1.00 0.00 H ATOM 713 1HG1 ILE A 43 7.112 3.216 1.543 1.00 0.00 H ATOM 714 2HG1 ILE A 43 7.168 4.793 2.316 1.00 0.00 H ATOM 715 1HG2 ILE A 43 9.795 2.716 0.598 1.00 0.00 H ATOM 716 2HG2 ILE A 43 10.622 2.296 2.115 1.00 0.00 H ATOM 717 3HG2 ILE A 43 8.992 1.663 1.787 1.00 0.00 H ATOM 718 1HD1 ILE A 43 6.892 5.005 -0.090 1.00 0.00 H ATOM 719 2HD1 ILE A 43 8.453 5.690 0.423 1.00 0.00 H ATOM 720 3HD1 ILE A 43 8.395 4.093 -0.361 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE start02_0017_0001.pdb label fa_atr fa_rep fa_sol fa_intra_atr_xover4 fa_intra_rep_xover4 fa_intra_sol_xover4 lk_ball lk_ball_iso lk_ball_bridge lk_ball_bridge_uncpl fa_elec fa_intra_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun_dev fa_dun_rot fa_dun_semi p_aa_pp hxl_tors ref rama_prepro gen_bonded total weights 1 0.55 1 1 0.55 1 0.92 -0.38 -0.33 -0.33 1 1 1.25 1 1 1 1 1.25 0.48 0.69 0.76 0.78 0.61 1 1 0.5 1 NA pose -239.165 33.6978 147.765 -17.007 9.90583 11.0897 83.4354 -94.3253 -0.4297 -2.99555 -53.4115 -15.8385 0 -25.8821 -2.30899 -1.28475 0 0 2.3769 4.5136 27.5518 32.5019 -13.4786 8.28621 -11.7706 -5.189 0 -121.963 SER:NtermProteinFull_1 -3.07337 0.35496 3.36945 -0.03205 0.00018 0.02339 1.49193 -1.60309 -0.02116 -0.09029 -1.18862 -1.14313 0 0 0 0 0 0 0.00563 0.0012 0.47237 0 0 0.60108 -0.77834 0 0 -1.60986 TRP_2 -7.47472 1.48401 1.57271 -0.92136 0.04811 0.34696 1.4884 -1.86589 -0 -0 -1.34316 -0.36289 0 0 0 0 0 0 0.23585 0.00259 0 1.54776 -0.03046 0 1.6906 -0.13562 0 -3.71711 GLU_3 -5.11715 0.36428 5.35307 -0.45887 0.20063 1.42361 1.79325 -2.45786 -0.02683 -0.14885 -1.85581 -2.8667 0 0 0 0 0 0 0.00419 7e-05 0 3.96537 -0.34224 0 -2.7348 -0.35444 0 -3.25907 ASP_4 -4.46562 0.36634 5.41536 -0.11411 0.0211 0.35218 2.07474 -2.49956 -0.04799 -0.23914 -1.76943 -0.21421 0 0 0 0 0 0 0.15623 0.0018 0 1.79421 0.06664 0 -2.3716 -0.29943 0 -1.77251 LEU_5 -9.52129 1.65764 2.20154 -0.70503 0.49205 0.25959 2.58435 -2.68652 -0 -0 -1.22107 0.17717 0 0 0 0 0 0 -0.01988 0.01287 0.83861 0 -0.21556 0 0.18072 0.13129 0 -5.83353 LEU_6 -7.40705 0.79005 3.7954 -0.70891 0.50807 0.27049 2.4207 -2.6358 -0 -0 -1.57229 0.15423 0 0 0 0 0 0 0.0874 0.02482 0.9485 0 -0.24883 0 0.18072 0.28912 0 -3.10338 LYS_7 -4.68691 0.26363 5.53935 -0.30131 0.02663 0.1313 2.48301 -2.4742 -0 -0 -1.93488 -0.02206 0 0 0 0 0 0 -0.01197 0.06455 1.84052 0 0.00402 0 -1.5107 0.16761 0 -0.42143 ILE_8 -6.56009 1.29653 3.01204 -0.59821 0.67756 0.16633 2.31401 -2.47408 -9e-05 -0.00223 -1.90449 0.37505 0 0 0 0 0 0 -0.03924 0.0254 1.60305 0 -0.03966 0 0.73287 0.06918 0 -1.34606 LEU_9 -10.6161 2.78863 2.72111 -0.50321 0.47569 0.12301 2.91553 -3.03354 -0 -0 -1.45436 0.22142 0 0 0 0 0 0 -0.01405 0.14659 0.35835 0 -0.29438 0 0.18072 -0.09959 0 -6.08415 ARG_10 -6.33639 0.52957 5.92902 -1.26931 0.57205 0.89158 2.63442 -2.98528 -0 -0 -1.95443 0.3082 0 0 0 0 0 0 0.28933 0.13756 3.11538 0 -0.03621 0 -1.2888 -0.01476 0 0.52195 GLU_11 -4.93061 0.26461 6.05462 -0.21664 0.02619 0.29131 2.34979 -2.67639 -0.00332 -0.01245 -2.56179 -0.58878 0 0 0 0 0 0 0.08108 0.17547 0 3.04616 -0.3209 0 -2.7348 -0.17912 0 -1.93558 ALA_12 -6.71205 0.80633 3.47363 -0.02226 0 0 3.10621 -3.02588 -0 -0 -2.06937 -0.36575 0 0 0 0 0 0 -0.06256 0 0 0 -0.32989 0 1.8394 -0.392 0 -3.75418 LEU_13 -6.82338 0.71226 3.65623 -0.69461 0.70672 0.25041 2.11263 -2.40843 -0 -0 -0.68182 0.17381 0 0 0 0 0 0 -0.02372 0.24733 0.88316 0 -0.23809 0 0.18072 -0.09607 0 -2.04283 GLU_14 -3.28219 0.18005 3.93392 -0.21613 0.0262 0.29646 1.39332 -1.75199 -0.00011 -0.00258 -0.22212 -0.59202 0 0 0 0 0 0 -0.02775 0.06302 0 3.06792 -0.32697 0 -2.7348 -0.18271 0 -0.37849 LYS_15 -4.39574 0.49004 4.707 -0.32417 0.04128 0.17997 1.4088 -2.09739 -0.00312 -0.00765 -1.55607 -0.18514 0 0 0 0 0 0 -0.06922 0.05513 1.74572 0 -0.06916 0 -1.5107 -0.37418 0 -1.96459 ASN_16 -2.95918 0.29605 3.64048 -0.19307 0.03204 0.32838 1.4369 -1.74735 -0 -0 -0.61236 -1.01621 0 0 0 0 0 0 -0.08528 0.00616 0 1.96397 -1.03867 0 -0.93687 -0.41169 0 -1.29669 THR_17 -4.15357 0.67555 2.41527 -0.20273 0.14949 0.07026 1.49475 -1.78088 -0.01009 -0.12567 -1.60011 -0.90199 0 0 0 0 0 0 0.02061 0.04104 0.96771 0 -0.80521 2.32135 -1.0874 -0.04247 0 -2.5541 THR_18 -3.43797 0.4893 1.0477 -0.12314 0.03725 0.09122 0.58543 -1.11392 -0.01009 -0.12567 -0.99412 -0.81973 0 0 0 0 0 0 0.00262 0.10631 1.0196 0 -0.22765 2.35528 -1.0874 0.23367 0 -1.97131 VAL_19 -5.38761 1.09477 0.51886 -0.30879 0.21753 0.06434 1.31752 -1.50113 -0 -0 -0.47469 -0.40625 0 0 0 0 0 0 0.19073 0.01788 0.11671 0 -0.35876 0 1.9342 -0.14462 0 -3.1093 VAL_20 -3.52053 0.54064 0.338 -0.26666 0.191 0.05437 0.37657 -0.94192 -0 -0 -0.34131 -0.28173 0 0 0 0 0 0 -0.00582 0.0367 0.32943 0 -0.7327 0 1.9342 -0.30015 0 -2.5899 ALA_21 -4.25576 0.90212 2.03941 -0.0228 0 0 2.18623 -1.77708 -0 -0 -1.38722 -0.41317 0 0 0 0 0 0 0.08358 0 0 0 -0.33872 0 1.8394 -0.08525 0 -1.22925 LEU_22 -5.66769 1.27054 0.56214 -0.54006 0.58033 0.16897 0.78515 -1.37672 -0 -0 0.30514 -0.0538 0 0 0 0 0 0 0.05287 0.15315 2.50555 0 0.52822 0 0.18072 0.66166 0 0.11617 GLY_23 -1.63296 0.36902 1.54969 -6e-05 0 0 0.26671 -0.89215 -0.00017 -0.00043 0.13702 -0.41051 0 0 0 0 0 0 -0.15682 0 0 0 -1.47567 0 0.83697 0.11757 0 -1.29179 PHE_24 -7.26512 1.30246 2.08233 -0.59859 0.04989 0.3059 2.74695 -2.16534 -0.01327 -0.04595 -2.03589 0.14802 0 0 0 0 0 0 -0.05862 0.0377 0 2.29252 -0.15709 0 1.0402 -0.60436 0 -2.93827 ILE_25 -3.29201 0.40081 0.45077 -0.48404 0.57288 0.10446 0.16863 -0.85259 -0.00017 -0.00043 -0.47533 0.05856 0 0 0 0 0 0 0.28484 0.04315 0.39374 0 -0.78267 0 0.73287 -0.41925 0 -3.09578 VAL_26 -6.58625 1.35252 0.78248 -0.32708 0.60377 0.07389 1.81916 -1.69993 -0.01327 -0.04595 -0.59372 -0.55991 0 0 0 0 0 0 0.19873 0.18993 1.80185 0 -0.78207 0 1.9342 -0.52428 0 -2.37593 THR_27 -2.07503 0.15507 0.9024 -0.1235 0.05913 0.07564 0.23237 -0.76721 -0.02673 -0.29805 0.26556 -1.00763 0 0 0 0 0 0 -0.04111 0.01751 0.09632 0 -0.58108 2.38316 -1.0874 -0.3851 0 -2.20566 SER_28 -4.16821 0.25447 4.49234 -0.02752 0 0.0657 2.67653 -2.2906 -0.02673 -0.29805 -1.83237 -0.32052 0 0 0 -0.64238 0 0 -0.00575 0.0194 0.04516 0 -0.53639 0.62534 -0.77834 -0.32754 0 -3.07543 GLU_29 -4.53467 0.33856 3.99007 -0.46208 0.25313 1.44957 2.10085 -1.96769 -0.02804 -0.14159 -1.58368 -2.96823 0 0 0 0 0 0 -0.01503 0.05888 0 4.01105 -0.30759 0 -2.7348 -0.40411 0 -2.94541 GLU_30 -4.17939 0.27055 4.88448 -0.21494 0.02974 0.29918 1.69808 -2.21898 -0.05128 -0.2859 -0.99204 -0.58363 0 0 0 0 0 0 0.28644 0.00318 0 3.02942 -0.28069 0 -2.7348 -0.44601 0 -1.48661 ALA_31 -5.44988 0.21111 4.20279 -0.0224 0 0 2.39663 -2.65017 -0 -0 -1.14134 -0.36665 0 0 0 -0.64238 0 0 0.03163 0 0 0 -0.30731 0 1.8394 -0.39953 0 -2.29808 ILE_32 -10.7306 2.12635 4.37734 -0.51223 0.60557 0.10033 3.86405 -3.51265 -0 -0 -2.07589 0.09082 0 0 0 0 0 0 -0.06275 0.0297 0.57811 0 -0.47659 0 0.73287 -0.01699 0 -4.88256 LYS_33 -5.94755 0.52897 5.20564 -0.30393 0.02677 0.13234 2.38982 -2.52131 -0 -0 -1.35255 0.0272 0 0 0 0 0 0 -0.02694 0.03454 1.76841 0 0.02666 0 -1.5107 0.28145 0 -1.24118 ARG_34 -5.12247 0.25299 5.98537 -0.81787 0.19697 0.53993 2.12612 -2.82834 -0.04393 -0.30764 -2.17278 0.43989 0 0 0 0 0 0 -0.02325 0.11045 1.47352 0 -0.10103 0 -1.2888 0.03558 0 -1.5453 LEU_35 -8.15994 2.10909 3.08477 -0.72832 0.7541 0.31357 2.75169 -2.56073 -0 -0 -2.11498 0.06839 0 0 0 0 0 0 0.70737 0.02061 1.66607 0 -0.26121 0 0.18072 -0.23038 0 -2.39917 LEU_36 -10.0805 1.94303 5.14215 -0.50042 0.49888 0.12144 3.25305 -3.5947 -0 -0 -1.94774 0.23984 0 0 0 0 0 0 0.18633 0.77929 0.62456 0 -0.2201 0 0.18072 0.04678 0 -3.32733 GLU_37 -4.84846 0.27719 6.09147 -0.21436 0.02624 0.29164 2.34409 -2.76699 -0.062 -0.49018 -1.43739 -0.57172 0 0 0 0 0 0 0.3483 0.03562 0 3.01213 -0.23856 0 -2.7348 0.01807 0 -0.9197 PHE_38 -8.25766 1.42524 4.03535 -0.97605 0.07457 0.31857 2.71699 -2.95172 -0 -0 -1.44227 -0.09239 0 0 0 0 0 0 0.00294 1.03147 0 1.7532 -0.46893 0 1.0402 0.14421 0 -1.64631 ALA_39 -6.43322 0.5081 3.55425 -0.022 0 0 2.7596 -2.76026 -0 -0 -2.14542 -0.36343 0 0 0 0 0 0 -0.0576 0 0 0 -0.31808 0 1.8394 0.22478 0 -3.21389 GLU_40 -5.04781 0.4337 5.36281 -0.21476 0.02453 0.29365 1.79561 -2.52068 -0.01836 -0.1619 -0.72668 -0.57527 0 0 0 0 0 0 -0.04369 0.11335 0 3.01816 -0.31595 0 -2.7348 -0.33842 0 -1.65653 ARG_41 -4.38435 0.32609 5.17602 -0.81701 0.19671 0.53572 1.73536 -2.40257 -0.02295 -0.16494 -0.82795 0.40638 0 0 0 0 0 0 -0.04828 0.3355 1.57954 0 -0.14006 0 -1.2888 -0.35753 0 -0.16311 VAL_42 -4.65794 0.71586 1.93229 -0.30969 0.26133 0.07057 1.44479 -1.5628 -0 -0 -0.50801 -0.14967 0 0 0 0 0 0 0.01951 0.0024 0.26277 0 -0.35903 0 1.9342 -0.08071 0 -0.98414 ILE:CtermProteinFull_43 -5.52628 0.77872 3.18349 -0.5867 0.64151 0.21353 1.39467 -1.92299 -0 -0 -0.01364 -0.52431 0 0 0 0 0 0 0 0.33129 0.51702 0 0 0 0.73287 0.03637 0 -0.74445 #END_POSE_ENERGIES_TABLE start02_0017_0001.pdb score_per_res -2.45444 total_score -105.541
HEEH_KT_rd6_5028.pdb
ATOM 1 N SER A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA SER A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C SER A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O SER A 1 1.320 2.364 0.389 1.00 0.00 O ATOM 5 CB SER A 1 1.980 -0.754 -1.207 1.00 0.00 C ATOM 6 OG SER A 1 3.369 -0.924 -1.131 1.00 0.00 O ATOM 7 1H SER A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 8 2H SER A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 9 3H SER A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 10 HA SER A 1 1.804 -0.509 0.900 1.00 0.00 H ATOM 11 1HB SER A 1 1.494 -1.728 -1.266 1.00 0.00 H ATOM 12 2HB SER A 1 1.727 -0.208 -2.115 1.00 0.00 H ATOM 13 HG SER A 1 3.629 -1.348 -1.953 1.00 0.00 H ATOM 14 N ILE A 2 3.255 1.566 -0.438 1.00 0.00 N ATOM 15 CA ILE A 2 3.949 2.846 -0.361 1.00 0.00 C ATOM 16 C ILE A 2 3.318 3.872 -1.293 1.00 0.00 C ATOM 17 O ILE A 2 3.149 5.035 -0.928 1.00 0.00 O ATOM 18 CB ILE A 2 5.440 2.684 -0.710 1.00 0.00 C ATOM 19 CG1 ILE A 2 6.224 2.198 0.512 1.00 0.00 C ATOM 20 CG2 ILE A 2 6.011 3.996 -1.225 1.00 0.00 C ATOM 21 CD1 ILE A 2 5.976 0.748 0.859 1.00 0.00 C ATOM 22 H ILE A 2 3.733 0.770 -0.834 1.00 0.00 H ATOM 23 HA ILE A 2 3.881 3.215 0.663 1.00 0.00 H ATOM 24 HB ILE A 2 5.552 1.922 -1.480 1.00 0.00 H ATOM 25 1HG1 ILE A 2 7.291 2.329 0.335 1.00 0.00 H ATOM 26 2HG1 ILE A 2 5.960 2.805 1.379 1.00 0.00 H ATOM 27 1HG2 ILE A 2 7.065 3.864 -1.466 1.00 0.00 H ATOM 28 2HG2 ILE A 2 5.470 4.302 -2.120 1.00 0.00 H ATOM 29 3HG2 ILE A 2 5.907 4.764 -0.458 1.00 0.00 H ATOM 30 1HD1 ILE A 2 6.566 0.477 1.735 1.00 0.00 H ATOM 31 2HD1 ILE A 2 4.917 0.601 1.075 1.00 0.00 H ATOM 32 3HD1 ILE A 2 6.266 0.118 0.019 1.00 0.00 H ATOM 33 N GLU A 3 2.970 3.434 -2.498 1.00 0.00 N ATOM 34 CA GLU A 3 2.386 4.321 -3.496 1.00 0.00 C ATOM 35 C GLU A 3 1.064 4.902 -3.011 1.00 0.00 C ATOM 36 O GLU A 3 0.663 5.990 -3.425 1.00 0.00 O ATOM 37 CB GLU A 3 2.172 3.573 -4.815 1.00 0.00 C ATOM 38 CG GLU A 3 3.457 3.151 -5.513 1.00 0.00 C ATOM 39 CD GLU A 3 4.032 1.877 -4.960 1.00 0.00 C ATOM 40 OE1 GLU A 3 3.450 1.329 -4.055 1.00 0.00 O ATOM 41 OE2 GLU A 3 5.054 1.451 -5.443 1.00 0.00 O ATOM 42 H GLU A 3 3.114 2.461 -2.729 1.00 0.00 H ATOM 43 HA GLU A 3 3.081 5.142 -3.681 1.00 0.00 H ATOM 44 1HB GLU A 3 1.580 2.677 -4.633 1.00 0.00 H ATOM 45 2HB GLU A 3 1.609 4.203 -5.503 1.00 0.00 H ATOM 46 1HG GLU A 3 3.252 3.013 -6.574 1.00 0.00 H ATOM 47 2HG GLU A 3 4.191 3.949 -5.413 1.00 0.00 H ATOM 48 N ASP A 4 0.389 4.169 -2.131 1.00 0.00 N ATOM 49 CA ASP A 4 -0.891 4.609 -1.590 1.00 0.00 C ATOM 50 C ASP A 4 -0.697 5.612 -0.460 1.00 0.00 C ATOM 51 O ASP A 4 -1.508 6.519 -0.277 1.00 0.00 O ATOM 52 CB ASP A 4 -1.699 3.411 -1.085 1.00 0.00 C ATOM 53 CG ASP A 4 -2.066 2.434 -2.193 1.00 0.00 C ATOM 54 OD1 ASP A 4 -2.790 2.818 -3.081 1.00 0.00 O ATOM 55 OD2 ASP A 4 -1.620 1.313 -2.141 1.00 0.00 O ATOM 56 H ASP A 4 0.773 3.286 -1.830 1.00 0.00 H ATOM 57 HA ASP A 4 -1.459 5.088 -2.389 1.00 0.00 H ATOM 58 1HB ASP A 4 -1.125 2.879 -0.326 1.00 0.00 H ATOM 59 2HB ASP A 4 -2.616 3.764 -0.613 1.00 0.00 H ATOM 60 N LEU A 5 0.384 5.443 0.294 1.00 0.00 N ATOM 61 CA LEU A 5 0.740 6.389 1.345 1.00 0.00 C ATOM 62 C LEU A 5 1.149 7.735 0.760 1.00 0.00 C ATOM 63 O LEU A 5 0.859 8.785 1.332 1.00 0.00 O ATOM 64 CB LEU A 5 1.883 5.827 2.199 1.00 0.00 C ATOM 65 CG LEU A 5 1.526 4.621 3.077 1.00 0.00 C ATOM 66 CD1 LEU A 5 2.801 4.007 3.640 1.00 0.00 C ATOM 67 CD2 LEU A 5 0.594 5.065 4.195 1.00 0.00 C ATOM 68 H LEU A 5 0.974 4.639 0.136 1.00 0.00 H ATOM 69 HA LEU A 5 -0.131 6.538 1.986 1.00 0.00 H ATOM 70 1HB LEU A 5 2.695 5.526 1.538 1.00 0.00 H ATOM 71 2HB LEU A 5 2.249 6.617 2.854 1.00 0.00 H ATOM 72 HG LEU A 5 1.030 3.863 2.471 1.00 0.00 H ATOM 73 1HD1 LEU A 5 2.547 3.150 4.264 1.00 0.00 H ATOM 74 2HD1 LEU A 5 3.440 3.680 2.819 1.00 0.00 H ATOM 75 3HD1 LEU A 5 3.328 4.748 4.239 1.00 0.00 H ATOM 76 1HD2 LEU A 5 0.340 4.208 4.819 1.00 0.00 H ATOM 77 2HD2 LEU A 5 1.090 5.822 4.803 1.00 0.00 H ATOM 78 3HD2 LEU A 5 -0.316 5.484 3.765 1.00 0.00 H ATOM 79 N LEU A 6 1.825 7.695 -0.383 1.00 0.00 N ATOM 80 CA LEU A 6 2.228 8.912 -1.077 1.00 0.00 C ATOM 81 C LEU A 6 1.015 9.706 -1.544 1.00 0.00 C ATOM 82 O LEU A 6 0.952 10.924 -1.369 1.00 0.00 O ATOM 83 CB LEU A 6 3.116 8.568 -2.280 1.00 0.00 C ATOM 84 CG LEU A 6 4.514 8.034 -1.944 1.00 0.00 C ATOM 85 CD1 LEU A 6 5.172 7.503 -3.210 1.00 0.00 C ATOM 86 CD2 LEU A 6 5.345 9.145 -1.320 1.00 0.00 C ATOM 87 H LEU A 6 2.068 6.799 -0.781 1.00 0.00 H ATOM 88 HA LEU A 6 2.805 9.530 -0.389 1.00 0.00 H ATOM 89 1HB LEU A 6 2.609 7.815 -2.881 1.00 0.00 H ATOM 90 2HB LEU A 6 3.240 9.464 -2.888 1.00 0.00 H ATOM 91 HG LEU A 6 4.428 7.206 -1.241 1.00 0.00 H ATOM 92 1HD1 LEU A 6 6.166 7.123 -2.972 1.00 0.00 H ATOM 93 2HD1 LEU A 6 4.567 6.697 -3.625 1.00 0.00 H ATOM 94 3HD1 LEU A 6 5.257 8.306 -3.941 1.00 0.00 H ATOM 95 1HD2 LEU A 6 6.339 8.765 -1.081 1.00 0.00 H ATOM 96 2HD2 LEU A 6 5.433 9.973 -2.024 1.00 0.00 H ATOM 97 3HD2 LEU A 6 4.861 9.493 -0.408 1.00 0.00 H ATOM 98 N LYS A 7 0.052 9.011 -2.141 1.00 0.00 N ATOM 99 CA LYS A 7 -1.171 9.647 -2.615 1.00 0.00 C ATOM 100 C LYS A 7 -1.981 10.217 -1.458 1.00 0.00 C ATOM 101 O LYS A 7 -2.548 11.305 -1.560 1.00 0.00 O ATOM 102 CB LYS A 7 -2.019 8.653 -3.411 1.00 0.00 C ATOM 103 CG LYS A 7 -1.447 8.287 -4.774 1.00 0.00 C ATOM 104 CD LYS A 7 -2.323 7.268 -5.486 1.00 0.00 C ATOM 105 CE LYS A 7 -1.739 6.882 -6.837 1.00 0.00 C ATOM 106 NZ LYS A 7 -2.569 5.860 -7.531 1.00 0.00 N ATOM 107 H LYS A 7 0.171 8.017 -2.269 1.00 0.00 H ATOM 108 HA LYS A 7 -0.899 10.462 -3.287 1.00 0.00 H ATOM 109 1HB LYS A 7 -2.133 7.732 -2.838 1.00 0.00 H ATOM 110 2HB LYS A 7 -3.015 9.067 -3.566 1.00 0.00 H ATOM 111 1HG LYS A 7 -1.373 9.184 -5.390 1.00 0.00 H ATOM 112 2HG LYS A 7 -0.448 7.871 -4.649 1.00 0.00 H ATOM 113 1HD LYS A 7 -2.414 6.373 -4.869 1.00 0.00 H ATOM 114 2HD LYS A 7 -3.318 7.686 -5.637 1.00 0.00 H ATOM 115 1HE LYS A 7 -1.669 7.766 -7.469 1.00 0.00 H ATOM 116 2HE LYS A 7 -0.735 6.482 -6.698 1.00 0.00 H ATOM 117 1HZ LYS A 7 -2.148 5.632 -8.420 1.00 0.00 H ATOM 118 2HZ LYS A 7 -2.625 5.028 -6.961 1.00 0.00 H ATOM 119 3HZ LYS A 7 -3.498 6.227 -7.682 1.00 0.00 H ATOM 120 N HIS A 8 -2.030 9.476 -0.356 1.00 0.00 N ATOM 121 CA HIS A 8 -2.738 9.924 0.837 1.00 0.00 C ATOM 122 C HIS A 8 -2.141 11.216 1.379 1.00 0.00 C ATOM 123 O HIS A 8 -2.866 12.148 1.730 1.00 0.00 O ATOM 124 CB HIS A 8 -2.705 8.844 1.923 1.00 0.00 C ATOM 125 CG HIS A 8 -3.481 9.204 3.152 1.00 0.00 C ATOM 126 ND1 HIS A 8 -4.859 9.232 3.180 1.00 0.00 N ATOM 127 CD2 HIS A 8 -3.072 9.550 4.395 1.00 0.00 C ATOM 128 CE1 HIS A 8 -5.265 9.580 4.389 1.00 0.00 C ATOM 129 NE2 HIS A 8 -4.200 9.779 5.144 1.00 0.00 N ATOM 130 H HIS A 8 -1.566 8.579 -0.345 1.00 0.00 H ATOM 131 HA HIS A 8 -3.781 10.105 0.574 1.00 0.00 H ATOM 132 1HB HIS A 8 -3.110 7.914 1.524 1.00 0.00 H ATOM 133 2HB HIS A 8 -1.673 8.653 2.215 1.00 0.00 H ATOM 134 HD1 HIS A 8 -5.472 8.954 2.439 1.00 0.00 H ATOM 135 HD2 HIS A 8 -2.086 9.664 4.846 1.00 0.00 H ATOM 136 HE1 HIS A 8 -6.328 9.660 4.616 1.00 0.00 H ATOM 137 N ALA A 9 -0.815 11.267 1.446 1.00 0.00 N ATOM 138 CA ALA A 9 -0.117 12.446 1.943 1.00 0.00 C ATOM 139 C ALA A 9 -0.423 13.670 1.089 1.00 0.00 C ATOM 140 O ALA A 9 -0.572 14.778 1.603 1.00 0.00 O ATOM 141 CB ALA A 9 1.383 12.195 1.987 1.00 0.00 C ATOM 142 H ALA A 9 -0.276 10.468 1.144 1.00 0.00 H ATOM 143 HA ALA A 9 -0.451 12.641 2.964 1.00 0.00 H ATOM 144 1HB ALA A 9 1.891 13.084 2.361 1.00 0.00 H ATOM 145 2HB ALA A 9 1.592 11.353 2.649 1.00 0.00 H ATOM 146 3HB ALA A 9 1.743 11.966 0.985 1.00 0.00 H ATOM 147 N GLU A 10 -0.517 13.461 -0.220 1.00 0.00 N ATOM 148 CA GLU A 10 -0.818 14.544 -1.149 1.00 0.00 C ATOM 149 C GLU A 10 -2.218 15.097 -0.914 1.00 0.00 C ATOM 150 O GLU A 10 -2.440 16.306 -0.995 1.00 0.00 O ATOM 151 CB GLU A 10 -0.686 14.059 -2.594 1.00 0.00 C ATOM 152 CG GLU A 10 0.747 13.826 -3.050 1.00 0.00 C ATOM 153 CD GLU A 10 0.836 13.319 -4.463 1.00 0.00 C ATOM 154 OE1 GLU A 10 -0.187 13.027 -5.035 1.00 0.00 O ATOM 155 OE2 GLU A 10 1.929 13.223 -4.971 1.00 0.00 O ATOM 156 H GLU A 10 -0.375 12.529 -0.582 1.00 0.00 H ATOM 157 HA GLU A 10 -0.095 15.346 -0.992 1.00 0.00 H ATOM 158 1HB GLU A 10 -1.233 13.124 -2.716 1.00 0.00 H ATOM 159 2HB GLU A 10 -1.135 14.791 -3.266 1.00 0.00 H ATOM 160 1HG GLU A 10 1.298 14.763 -2.978 1.00 0.00 H ATOM 161 2HG GLU A 10 1.218 13.107 -2.381 1.00 0.00 H ATOM 162 N GLU A 11 -3.160 14.206 -0.624 1.00 0.00 N ATOM 163 CA GLU A 11 -4.528 14.608 -0.321 1.00 0.00 C ATOM 164 C GLU A 11 -4.593 15.404 0.977 1.00 0.00 C ATOM 165 O GLU A 11 -5.364 16.356 1.095 1.00 0.00 O ATOM 166 CB GLU A 11 -5.436 13.380 -0.224 1.00 0.00 C ATOM 167 CG GLU A 11 -5.707 12.692 -1.555 1.00 0.00 C ATOM 168 CD GLU A 11 -6.571 11.470 -1.416 1.00 0.00 C ATOM 169 OE1 GLU A 11 -6.856 11.090 -0.306 1.00 0.00 O ATOM 170 OE2 GLU A 11 -6.947 10.915 -2.422 1.00 0.00 O ATOM 171 H GLU A 11 -2.921 13.225 -0.612 1.00 0.00 H ATOM 172 HA GLU A 11 -4.892 15.236 -1.134 1.00 0.00 H ATOM 173 1HB GLU A 11 -4.986 12.647 0.446 1.00 0.00 H ATOM 174 2HB GLU A 11 -6.395 13.670 0.204 1.00 0.00 H ATOM 175 1HG GLU A 11 -6.200 13.398 -2.223 1.00 0.00 H ATOM 176 2HG GLU A 11 -4.757 12.410 -2.006 1.00 0.00 H ATOM 177 N ARG A 12 -3.780 15.007 1.950 1.00 0.00 N ATOM 178 CA ARG A 12 -3.688 15.728 3.214 1.00 0.00 C ATOM 179 C ARG A 12 -3.141 17.134 3.007 1.00 0.00 C ATOM 180 O ARG A 12 -3.543 18.074 3.694 1.00 0.00 O ATOM 181 CB ARG A 12 -2.796 14.979 4.193 1.00 0.00 C ATOM 182 CG ARG A 12 -3.396 13.700 4.755 1.00 0.00 C ATOM 183 CD ARG A 12 -2.457 13.012 5.677 1.00 0.00 C ATOM 184 NE ARG A 12 -2.197 13.797 6.873 1.00 0.00 N ATOM 185 CZ ARG A 12 -1.272 13.491 7.803 1.00 0.00 C ATOM 186 NH1 ARG A 12 -0.529 12.415 7.663 1.00 0.00 N ATOM 187 NH2 ARG A 12 -1.112 14.271 8.858 1.00 0.00 N ATOM 188 H ARG A 12 -3.211 14.184 1.811 1.00 0.00 H ATOM 189 HA ARG A 12 -4.688 15.800 3.644 1.00 0.00 H ATOM 190 1HB ARG A 12 -1.859 14.717 3.704 1.00 0.00 H ATOM 191 2HB ARG A 12 -2.555 15.628 5.035 1.00 0.00 H ATOM 192 1HG ARG A 12 -4.306 13.937 5.307 1.00 0.00 H ATOM 193 2HG ARG A 12 -3.634 13.019 3.937 1.00 0.00 H ATOM 194 1HD ARG A 12 -2.882 12.056 5.983 1.00 0.00 H ATOM 195 2HD ARG A 12 -1.508 12.841 5.169 1.00 0.00 H ATOM 196 HE ARG A 12 -2.749 14.632 7.016 1.00 0.00 H ATOM 197 1HH1 ARG A 12 -0.652 11.819 6.857 1.00 0.00 H ATOM 198 2HH1 ARG A 12 0.164 12.186 8.360 1.00 0.00 H ATOM 199 1HH2 ARG A 12 -1.684 15.098 8.966 1.00 0.00 H ATOM 200 2HH2 ARG A 12 -0.420 14.042 9.555 1.00 0.00 H ATOM 201 N GLY A 13 -2.224 17.273 2.056 1.00 0.00 N ATOM 202 CA GLY A 13 -1.658 18.575 1.721 1.00 0.00 C ATOM 203 C GLY A 13 -0.229 18.702 2.235 1.00 0.00 C ATOM 204 O GLY A 13 0.230 19.799 2.551 1.00 0.00 O ATOM 205 H GLY A 13 -1.910 16.456 1.552 1.00 0.00 H ATOM 206 1HA GLY A 13 -1.674 18.711 0.640 1.00 0.00 H ATOM 207 2HA GLY A 13 -2.275 19.361 2.153 1.00 0.00 H ATOM 208 N ILE A 14 0.469 17.574 2.313 1.00 0.00 N ATOM 209 CA ILE A 14 1.850 17.559 2.781 1.00 0.00 C ATOM 210 C ILE A 14 2.819 17.860 1.645 1.00 0.00 C ATOM 211 O ILE A 14 2.803 17.193 0.610 1.00 0.00 O ATOM 212 CB ILE A 14 2.202 16.200 3.412 1.00 0.00 C ATOM 213 CG1 ILE A 14 1.321 15.934 4.634 1.00 0.00 C ATOM 214 CG2 ILE A 14 3.674 16.155 3.792 1.00 0.00 C ATOM 215 CD1 ILE A 14 1.380 14.507 5.131 1.00 0.00 C ATOM 216 H ILE A 14 0.032 16.705 2.043 1.00 0.00 H ATOM 217 HA ILE A 14 1.963 18.325 3.549 1.00 0.00 H ATOM 218 HB ILE A 14 1.998 15.403 2.696 1.00 0.00 H ATOM 219 1HG1 ILE A 14 1.621 16.592 5.449 1.00 0.00 H ATOM 220 2HG1 ILE A 14 0.283 16.166 4.393 1.00 0.00 H ATOM 221 1HG2 ILE A 14 3.906 15.188 4.237 1.00 0.00 H ATOM 222 2HG2 ILE A 14 4.285 16.301 2.902 1.00 0.00 H ATOM 223 3HG2 ILE A 14 3.888 16.946 4.512 1.00 0.00 H ATOM 224 1HD1 ILE A 14 0.729 14.397 5.999 1.00 0.00 H ATOM 225 2HD1 ILE A 14 1.049 13.832 4.341 1.00 0.00 H ATOM 226 3HD1 ILE A 14 2.403 14.263 5.413 1.00 0.00 H ATOM 227 N GLU A 15 3.663 18.866 1.845 1.00 0.00 N ATOM 228 CA GLU A 15 4.597 19.299 0.812 1.00 0.00 C ATOM 229 C GLU A 15 5.625 18.217 0.510 1.00 0.00 C ATOM 230 O GLU A 15 6.261 17.680 1.418 1.00 0.00 O ATOM 231 CB GLU A 15 5.307 20.585 1.241 1.00 0.00 C ATOM 232 CG GLU A 15 6.240 21.168 0.189 1.00 0.00 C ATOM 233 CD GLU A 15 6.869 22.464 0.619 1.00 0.00 C ATOM 234 OE1 GLU A 15 6.587 22.907 1.707 1.00 0.00 O ATOM 235 OE2 GLU A 15 7.631 23.013 -0.141 1.00 0.00 O ATOM 236 H GLU A 15 3.657 19.343 2.735 1.00 0.00 H ATOM 237 HA GLU A 15 4.034 19.510 -0.097 1.00 0.00 H ATOM 238 1HB GLU A 15 4.566 21.345 1.488 1.00 0.00 H ATOM 239 2HB GLU A 15 5.893 20.394 2.140 1.00 0.00 H ATOM 240 1HG GLU A 15 7.030 20.447 -0.020 1.00 0.00 H ATOM 241 2HG GLU A 15 5.679 21.329 -0.730 1.00 0.00 H ATOM 242 N ALA A 16 5.785 17.899 -0.771 1.00 0.00 N ATOM 243 CA ALA A 16 6.687 16.833 -1.189 1.00 0.00 C ATOM 244 C ALA A 16 7.918 17.398 -1.886 1.00 0.00 C ATOM 245 O ALA A 16 7.867 18.470 -2.488 1.00 0.00 O ATOM 246 CB ALA A 16 5.963 15.854 -2.102 1.00 0.00 C ATOM 247 H ALA A 16 5.267 18.410 -1.472 1.00 0.00 H ATOM 248 HA ALA A 16 7.007 16.283 -0.303 1.00 0.00 H ATOM 249 1HB ALA A 16 6.650 15.065 -2.406 1.00 0.00 H ATOM 250 2HB ALA A 16 5.119 15.416 -1.569 1.00 0.00 H ATOM 251 3HB ALA A 16 5.602 16.380 -2.984 1.00 0.00 H ATOM 252 N THR A 17 9.026 16.668 -1.802 1.00 0.00 N ATOM 253 CA THR A 17 10.247 17.043 -2.505 1.00 0.00 C ATOM 254 C THR A 17 10.678 15.956 -3.480 1.00 0.00 C ATOM 255 O THR A 17 10.096 14.871 -3.512 1.00 0.00 O ATOM 256 CB THR A 17 11.390 17.333 -1.515 1.00 0.00 C ATOM 257 OG1 THR A 17 12.494 17.921 -2.215 1.00 0.00 O ATOM 258 CG2 THR A 17 11.849 16.050 -0.839 1.00 0.00 C ATOM 259 H THR A 17 9.022 15.831 -1.236 1.00 0.00 H ATOM 260 HA THR A 17 10.055 17.959 -3.065 1.00 0.00 H ATOM 261 HB THR A 17 11.045 18.034 -0.755 1.00 0.00 H ATOM 262 HG1 THR A 17 13.084 18.343 -1.585 1.00 0.00 H ATOM 263 1HG2 THR A 17 12.657 16.274 -0.143 1.00 0.00 H ATOM 264 2HG2 THR A 17 11.014 15.606 -0.297 1.00 0.00 H ATOM 265 3HG2 THR A 17 12.204 15.349 -1.593 1.00 0.00 H ATOM 266 N GLU A 18 11.702 16.252 -4.274 1.00 0.00 N ATOM 267 CA GLU A 18 12.168 15.327 -5.299 1.00 0.00 C ATOM 268 C GLU A 18 13.456 14.634 -4.872 1.00 0.00 C ATOM 269 O GLU A 18 14.488 15.279 -4.689 1.00 0.00 O ATOM 270 CB GLU A 18 12.389 16.064 -6.622 1.00 0.00 C ATOM 271 CG GLU A 18 11.116 16.593 -7.267 1.00 0.00 C ATOM 272 CD GLU A 18 11.363 17.251 -8.596 1.00 0.00 C ATOM 273 OE1 GLU A 18 12.504 17.382 -8.969 1.00 0.00 O ATOM 274 OE2 GLU A 18 10.409 17.622 -9.239 1.00 0.00 O ATOM 275 H GLU A 18 12.169 17.140 -4.163 1.00 0.00 H ATOM 276 HA GLU A 18 11.399 14.570 -5.457 1.00 0.00 H ATOM 277 1HB GLU A 18 13.058 16.909 -6.460 1.00 0.00 H ATOM 278 2HB GLU A 18 12.872 15.395 -7.335 1.00 0.00 H ATOM 279 1HG GLU A 18 10.421 15.765 -7.407 1.00 0.00 H ATOM 280 2HG GLU A 18 10.651 17.311 -6.592 1.00 0.00 H ATOM 281 N ILE A 19 13.388 13.316 -4.715 1.00 0.00 N ATOM 282 CA ILE A 19 14.527 12.542 -4.234 1.00 0.00 C ATOM 283 C ILE A 19 15.061 11.616 -5.319 1.00 0.00 C ATOM 284 O ILE A 19 14.317 10.819 -5.890 1.00 0.00 O ATOM 285 CB ILE A 19 14.144 11.714 -2.994 1.00 0.00 C ATOM 286 CG1 ILE A 19 13.627 12.627 -1.880 1.00 0.00 C ATOM 287 CG2 ILE A 19 15.335 10.900 -2.510 1.00 0.00 C ATOM 288 CD1 ILE A 19 12.959 11.887 -0.744 1.00 0.00 C ATOM 289 H ILE A 19 12.525 12.838 -4.934 1.00 0.00 H ATOM 290 HA ILE A 19 15.321 13.235 -3.953 1.00 0.00 H ATOM 291 HB ILE A 19 13.331 11.034 -3.247 1.00 0.00 H ATOM 292 1HG1 ILE A 19 14.454 13.207 -1.471 1.00 0.00 H ATOM 293 2HG1 ILE A 19 12.907 13.335 -2.294 1.00 0.00 H ATOM 294 1HG2 ILE A 19 15.047 10.321 -1.632 1.00 0.00 H ATOM 295 2HG2 ILE A 19 15.659 10.225 -3.300 1.00 0.00 H ATOM 296 3HG2 ILE A 19 16.152 11.572 -2.249 1.00 0.00 H ATOM 297 1HD1 ILE A 19 12.619 12.602 0.006 1.00 0.00 H ATOM 298 2HD1 ILE A 19 12.105 11.328 -1.126 1.00 0.00 H ATOM 299 3HD1 ILE A 19 13.671 11.199 -0.290 1.00 0.00 H ATOM 300 N THR A 20 16.355 11.727 -5.599 1.00 0.00 N ATOM 301 CA THR A 20 17.016 10.827 -6.537 1.00 0.00 C ATOM 302 C THR A 20 17.466 9.547 -5.847 1.00 0.00 C ATOM 303 O THR A 20 18.171 9.588 -4.839 1.00 0.00 O ATOM 304 CB THR A 20 18.226 11.509 -7.201 1.00 0.00 C ATOM 305 OG1 THR A 20 17.796 12.696 -7.881 1.00 0.00 O ATOM 306 CG2 THR A 20 18.887 10.570 -8.198 1.00 0.00 C ATOM 307 H THR A 20 16.895 12.454 -5.151 1.00 0.00 H ATOM 308 HA THR A 20 16.307 10.569 -7.326 1.00 0.00 H ATOM 309 HB THR A 20 18.951 11.788 -6.437 1.00 0.00 H ATOM 310 HG1 THR A 20 17.559 13.366 -7.235 1.00 0.00 H ATOM 311 1HG2 THR A 20 19.741 11.069 -8.657 1.00 0.00 H ATOM 312 2HG2 THR A 20 19.226 9.672 -7.682 1.00 0.00 H ATOM 313 3HG2 THR A 20 18.170 10.296 -8.970 1.00 0.00 H ATOM 314 N LEU A 21 17.055 8.408 -6.396 1.00 0.00 N ATOM 315 CA LEU A 21 17.280 7.121 -5.750 1.00 0.00 C ATOM 316 C LEU A 21 18.448 6.380 -6.388 1.00 0.00 C ATOM 317 O LEU A 21 18.370 5.953 -7.540 1.00 0.00 O ATOM 318 CB LEU A 21 16.014 6.258 -5.833 1.00 0.00 C ATOM 319 CG LEU A 21 14.716 6.937 -5.377 1.00 0.00 C ATOM 320 CD1 LEU A 21 13.567 5.941 -5.458 1.00 0.00 C ATOM 321 CD2 LEU A 21 14.888 7.460 -3.959 1.00 0.00 C ATOM 322 H LEU A 21 16.573 8.436 -7.284 1.00 0.00 H ATOM 323 HA LEU A 21 17.509 7.296 -4.698 1.00 0.00 H ATOM 324 1HB LEU A 21 15.877 5.941 -6.866 1.00 0.00 H ATOM 325 2HB LEU A 21 16.158 5.370 -5.218 1.00 0.00 H ATOM 326 HG LEU A 21 14.485 7.767 -6.045 1.00 0.00 H ATOM 327 1HD1 LEU A 21 12.644 6.423 -5.134 1.00 0.00 H ATOM 328 2HD1 LEU A 21 13.454 5.598 -6.486 1.00 0.00 H ATOM 329 3HD1 LEU A 21 13.777 5.090 -4.811 1.00 0.00 H ATOM 330 1HD2 LEU A 21 13.965 7.943 -3.635 1.00 0.00 H ATOM 331 2HD2 LEU A 21 15.117 6.631 -3.290 1.00 0.00 H ATOM 332 3HD2 LEU A 21 15.703 8.183 -3.934 1.00 0.00 H ATOM 333 N ALA A 22 19.532 6.233 -5.633 1.00 0.00 N ATOM 334 CA ALA A 22 20.719 5.543 -6.123 1.00 0.00 C ATOM 335 C ALA A 22 21.197 6.139 -7.442 1.00 0.00 C ATOM 336 O ALA A 22 21.628 5.416 -8.340 1.00 0.00 O ATOM 337 CB ALA A 22 20.440 4.056 -6.285 1.00 0.00 C ATOM 338 H ALA A 22 19.533 6.607 -4.695 1.00 0.00 H ATOM 339 HA ALA A 22 21.515 5.675 -5.390 1.00 0.00 H ATOM 340 1HB ALA A 22 21.336 3.555 -6.653 1.00 0.00 H ATOM 341 2HB ALA A 22 20.156 3.632 -5.322 1.00 0.00 H ATOM 342 3HB ALA A 22 19.628 3.914 -6.997 1.00 0.00 H ATOM 343 N ASN A 23 21.117 7.461 -7.552 1.00 0.00 N ATOM 344 CA ASN A 23 21.555 8.157 -8.755 1.00 0.00 C ATOM 345 C ASN A 23 20.846 7.620 -9.993 1.00 0.00 C ATOM 346 O ASN A 23 21.431 7.551 -11.074 1.00 0.00 O ATOM 347 CB ASN A 23 23.061 8.051 -8.914 1.00 0.00 C ATOM 348 CG ASN A 23 23.808 8.681 -7.771 1.00 0.00 C ATOM 349 OD1 ASN A 23 23.419 9.742 -7.268 1.00 0.00 O ATOM 350 ND2 ASN A 23 24.874 8.049 -7.351 1.00 0.00 N ATOM 351 H ASN A 23 20.742 7.996 -6.782 1.00 0.00 H ATOM 352 HA ASN A 23 21.317 9.215 -8.649 1.00 0.00 H ATOM 353 1HB ASN A 23 23.347 7.001 -8.985 1.00 0.00 H ATOM 354 2HB ASN A 23 23.364 8.537 -9.842 1.00 0.00 H ATOM 355 1HD2 ASN A 23 25.410 8.421 -6.593 1.00 0.00 H ATOM 356 2HD2 ASN A 23 25.152 7.194 -7.787 1.00 0.00 H ATOM 357 N GLY A 24 19.584 7.239 -9.827 1.00 0.00 N ATOM 358 CA GLY A 24 18.780 6.747 -10.938 1.00 0.00 C ATOM 359 C GLY A 24 17.530 7.598 -11.133 1.00 0.00 C ATOM 360 O GLY A 24 17.619 8.780 -11.463 1.00 0.00 O ATOM 361 H GLY A 24 19.171 7.292 -8.906 1.00 0.00 H ATOM 362 1HA GLY A 24 19.377 6.756 -11.851 1.00 0.00 H ATOM 363 2HA GLY A 24 18.495 5.713 -10.751 1.00 0.00 H ATOM 364 N SER A 25 16.368 6.988 -10.926 1.00 0.00 N ATOM 365 CA SER A 25 15.098 7.680 -11.109 1.00 0.00 C ATOM 366 C SER A 25 14.810 8.618 -9.944 1.00 0.00 C ATOM 367 O SER A 25 15.477 8.564 -8.911 1.00 0.00 O ATOM 368 CB SER A 25 13.972 6.675 -11.251 1.00 0.00 C ATOM 369 OG SER A 25 13.756 5.989 -10.048 1.00 0.00 O ATOM 370 H SER A 25 16.365 6.021 -10.635 1.00 0.00 H ATOM 371 HA SER A 25 15.152 8.267 -12.027 1.00 0.00 H ATOM 372 1HB SER A 25 13.059 7.191 -11.547 1.00 0.00 H ATOM 373 2HB SER A 25 14.216 5.964 -12.039 1.00 0.00 H ATOM 374 HG SER A 25 13.068 5.344 -10.231 1.00 0.00 H ATOM 375 N VAL A 26 13.811 9.478 -10.117 1.00 0.00 N ATOM 376 CA VAL A 26 13.446 10.445 -9.089 1.00 0.00 C ATOM 377 C VAL A 26 12.003 10.254 -8.639 1.00 0.00 C ATOM 378 O VAL A 26 11.095 10.150 -9.463 1.00 0.00 O ATOM 379 CB VAL A 26 13.630 11.881 -9.616 1.00 0.00 C ATOM 380 CG1 VAL A 26 13.200 12.893 -8.565 1.00 0.00 C ATOM 381 CG2 VAL A 26 15.080 12.103 -10.018 1.00 0.00 C ATOM 382 H VAL A 26 13.291 9.460 -10.983 1.00 0.00 H ATOM 383 HA VAL A 26 14.102 10.301 -8.230 1.00 0.00 H ATOM 384 HB VAL A 26 12.985 12.025 -10.483 1.00 0.00 H ATOM 385 1HG1 VAL A 26 13.336 13.903 -8.955 1.00 0.00 H ATOM 386 2HG1 VAL A 26 12.150 12.739 -8.319 1.00 0.00 H ATOM 387 3HG1 VAL A 26 13.807 12.767 -7.668 1.00 0.00 H ATOM 388 1HG2 VAL A 26 15.202 13.120 -10.391 1.00 0.00 H ATOM 389 2HG2 VAL A 26 15.725 11.953 -9.152 1.00 0.00 H ATOM 390 3HG2 VAL A 26 15.353 11.395 -10.801 1.00 0.00 H ATOM 391 N VAL A 27 11.799 10.206 -7.327 1.00 0.00 N ATOM 392 CA VAL A 27 10.464 10.041 -6.765 1.00 0.00 C ATOM 393 C VAL A 27 10.068 11.246 -5.922 1.00 0.00 C ATOM 394 O VAL A 27 10.878 11.778 -5.163 1.00 0.00 O ATOM 395 CB VAL A 27 10.404 8.770 -5.897 1.00 0.00 C ATOM 396 CG1 VAL A 27 11.445 8.831 -4.789 1.00 0.00 C ATOM 397 CG2 VAL A 27 9.007 8.605 -5.317 1.00 0.00 C ATOM 398 H VAL A 27 12.590 10.286 -6.703 1.00 0.00 H ATOM 399 HA VAL A 27 9.754 9.938 -7.585 1.00 0.00 H ATOM 400 HB VAL A 27 10.645 7.906 -6.517 1.00 0.00 H ATOM 401 1HG1 VAL A 27 11.388 7.924 -4.186 1.00 0.00 H ATOM 402 2HG1 VAL A 27 12.439 8.912 -5.228 1.00 0.00 H ATOM 403 3HG1 VAL A 27 11.253 9.698 -4.158 1.00 0.00 H ATOM 404 1HG2 VAL A 27 8.972 7.704 -4.705 1.00 0.00 H ATOM 405 2HG2 VAL A 27 8.764 9.471 -4.702 1.00 0.00 H ATOM 406 3HG2 VAL A 27 8.284 8.521 -6.128 1.00 0.00 H ATOM 407 N ARG A 28 8.817 11.673 -6.061 1.00 0.00 N ATOM 408 CA ARG A 28 8.293 12.776 -5.266 1.00 0.00 C ATOM 409 C ARG A 28 7.660 12.274 -3.974 1.00 0.00 C ATOM 410 O ARG A 28 6.637 11.591 -3.999 1.00 0.00 O ATOM 411 CB ARG A 28 7.261 13.565 -6.059 1.00 0.00 C ATOM 412 CG ARG A 28 6.685 14.772 -5.336 1.00 0.00 C ATOM 413 CD ARG A 28 5.939 15.662 -6.263 1.00 0.00 C ATOM 414 NE ARG A 28 6.823 16.325 -7.207 1.00 0.00 N ATOM 415 CZ ARG A 28 6.408 17.060 -8.257 1.00 0.00 C ATOM 416 NH1 ARG A 28 5.123 17.216 -8.483 1.00 0.00 N ATOM 417 NH2 ARG A 28 7.294 17.624 -9.060 1.00 0.00 N ATOM 418 H ARG A 28 8.216 11.221 -6.734 1.00 0.00 H ATOM 419 HA ARG A 28 9.117 13.445 -5.015 1.00 0.00 H ATOM 420 1HB ARG A 28 7.709 13.919 -6.987 1.00 0.00 H ATOM 421 2HB ARG A 28 6.430 12.911 -6.325 1.00 0.00 H ATOM 422 1HG ARG A 28 6.000 14.437 -4.557 1.00 0.00 H ATOM 423 2HG ARG A 28 7.494 15.347 -4.885 1.00 0.00 H ATOM 424 1HD ARG A 28 5.215 15.075 -6.828 1.00 0.00 H ATOM 425 2HD ARG A 28 5.417 16.427 -5.690 1.00 0.00 H ATOM 426 HE ARG A 28 7.820 16.228 -7.066 1.00 0.00 H ATOM 427 1HH1 ARG A 28 4.446 16.785 -7.870 1.00 0.00 H ATOM 428 2HH1 ARG A 28 4.812 17.767 -9.270 1.00 0.00 H ATOM 429 1HH2 ARG A 28 8.282 17.504 -8.887 1.00 0.00 H ATOM 430 2HH2 ARG A 28 6.983 18.174 -9.847 1.00 0.00 H ATOM 431 N VAL A 29 8.276 12.615 -2.848 1.00 0.00 N ATOM 432 CA VAL A 29 7.925 12.011 -1.568 1.00 0.00 C ATOM 433 C VAL A 29 7.446 13.063 -0.576 1.00 0.00 C ATOM 434 O VAL A 29 8.138 14.048 -0.318 1.00 0.00 O ATOM 435 CB VAL A 29 9.136 11.265 -0.978 1.00 0.00 C ATOM 436 CG1 VAL A 29 8.787 10.672 0.379 1.00 0.00 C ATOM 437 CG2 VAL A 29 9.596 10.180 -1.940 1.00 0.00 C ATOM 438 H VAL A 29 9.007 13.312 -2.879 1.00 0.00 H ATOM 439 HA VAL A 29 7.119 11.295 -1.735 1.00 0.00 H ATOM 440 HB VAL A 29 9.946 11.977 -0.818 1.00 0.00 H ATOM 441 1HG1 VAL A 29 9.655 10.149 0.781 1.00 0.00 H ATOM 442 2HG1 VAL A 29 8.496 11.470 1.061 1.00 0.00 H ATOM 443 3HG1 VAL A 29 7.961 9.969 0.267 1.00 0.00 H ATOM 444 1HG2 VAL A 29 10.453 9.658 -1.516 1.00 0.00 H ATOM 445 2HG2 VAL A 29 8.783 9.472 -2.104 1.00 0.00 H ATOM 446 3HG2 VAL A 29 9.880 10.633 -2.890 1.00 0.00 H ATOM 447 N ALA A 30 6.258 12.848 -0.021 1.00 0.00 N ATOM 448 CA ALA A 30 5.688 13.774 0.950 1.00 0.00 C ATOM 449 C ALA A 30 6.088 13.400 2.371 1.00 0.00 C ATOM 450 O ALA A 30 6.179 14.261 3.247 1.00 0.00 O ATOM 451 CB ALA A 30 4.172 13.811 0.819 1.00 0.00 C ATOM 452 H ALA A 30 5.737 12.021 -0.276 1.00 0.00 H ATOM 453 HA ALA A 30 6.084 14.768 0.742 1.00 0.00 H ATOM 454 1HB ALA A 30 3.761 14.507 1.550 1.00 0.00 H ATOM 455 2HB ALA A 30 3.901 14.136 -0.185 1.00 0.00 H ATOM 456 3HB ALA A 30 3.768 12.816 0.999 1.00 0.00 H ATOM 457 N LEU A 31 6.326 12.112 2.594 1.00 0.00 N ATOM 458 CA LEU A 31 6.547 11.595 3.938 1.00 0.00 C ATOM 459 C LEU A 31 8.011 11.231 4.155 1.00 0.00 C ATOM 460 O LEU A 31 8.613 10.531 3.341 1.00 0.00 O ATOM 461 CB LEU A 31 5.665 10.364 4.184 1.00 0.00 C ATOM 462 CG LEU A 31 4.165 10.559 3.930 1.00 0.00 C ATOM 463 CD1 LEU A 31 3.438 9.238 4.141 1.00 0.00 C ATOM 464 CD2 LEU A 31 3.627 11.634 4.864 1.00 0.00 C ATOM 465 H LEU A 31 6.354 11.475 1.810 1.00 0.00 H ATOM 466 HA LEU A 31 6.270 12.368 4.657 1.00 0.00 H ATOM 467 1HB LEU A 31 6.008 9.557 3.539 1.00 0.00 H ATOM 468 2HB LEU A 31 5.788 10.050 5.221 1.00 0.00 H ATOM 469 HG LEU A 31 4.008 10.865 2.896 1.00 0.00 H ATOM 470 1HD1 LEU A 31 2.372 9.376 3.960 1.00 0.00 H ATOM 471 2HD1 LEU A 31 3.829 8.493 3.448 1.00 0.00 H ATOM 472 3HD1 LEU A 31 3.591 8.897 5.164 1.00 0.00 H ATOM 473 1HD2 LEU A 31 2.561 11.773 4.683 1.00 0.00 H ATOM 474 2HD2 LEU A 31 3.783 11.328 5.899 1.00 0.00 H ATOM 475 3HD2 LEU A 31 4.152 12.571 4.680 1.00 0.00 H ATOM 476 N GLU A 32 8.577 11.710 5.257 1.00 0.00 N ATOM 477 CA GLU A 32 9.977 11.451 5.574 1.00 0.00 C ATOM 478 C GLU A 32 10.233 9.960 5.756 1.00 0.00 C ATOM 479 O GLU A 32 11.298 9.456 5.401 1.00 0.00 O ATOM 480 CB GLU A 32 10.387 12.207 6.839 1.00 0.00 C ATOM 481 CG GLU A 32 10.332 13.723 6.711 1.00 0.00 C ATOM 482 CD GLU A 32 8.958 14.282 6.956 1.00 0.00 C ATOM 483 OE1 GLU A 32 8.051 13.510 7.158 1.00 0.00 O ATOM 484 OE2 GLU A 32 8.815 15.482 6.940 1.00 0.00 O ATOM 485 H GLU A 32 8.025 12.268 5.892 1.00 0.00 H ATOM 486 HA GLU A 32 10.591 11.813 4.748 1.00 0.00 H ATOM 487 1HB GLU A 32 9.735 11.918 7.664 1.00 0.00 H ATOM 488 2HB GLU A 32 11.405 11.932 7.114 1.00 0.00 H ATOM 489 1HG GLU A 32 11.024 14.163 7.430 1.00 0.00 H ATOM 490 2HG GLU A 32 10.662 14.005 5.712 1.00 0.00 H ATOM 491 N GLU A 33 9.251 9.259 6.312 1.00 0.00 N ATOM 492 CA GLU A 33 9.352 7.819 6.508 1.00 0.00 C ATOM 493 C GLU A 33 9.612 7.100 5.190 1.00 0.00 C ATOM 494 O GLU A 33 10.403 6.160 5.129 1.00 0.00 O ATOM 495 CB GLU A 33 8.075 7.278 7.154 1.00 0.00 C ATOM 496 CG GLU A 33 8.098 5.782 7.436 1.00 0.00 C ATOM 497 CD GLU A 33 6.844 5.293 8.105 1.00 0.00 C ATOM 498 OE1 GLU A 33 5.962 6.089 8.325 1.00 0.00 O ATOM 499 OE2 GLU A 33 6.767 4.123 8.396 1.00 0.00 O ATOM 500 H GLU A 33 8.411 9.738 6.606 1.00 0.00 H ATOM 501 HA GLU A 33 10.185 7.620 7.184 1.00 0.00 H ATOM 502 1HB GLU A 33 7.898 7.793 8.098 1.00 0.00 H ATOM 503 2HB GLU A 33 7.224 7.482 6.504 1.00 0.00 H ATOM 504 1HG GLU A 33 8.226 5.247 6.495 1.00 0.00 H ATOM 505 2HG GLU A 33 8.955 5.556 8.069 1.00 0.00 H ATOM 506 N LEU A 34 8.939 7.549 4.135 1.00 0.00 N ATOM 507 CA LEU A 34 9.050 6.913 2.828 1.00 0.00 C ATOM 508 C LEU A 34 10.322 7.348 2.111 1.00 0.00 C ATOM 509 O LEU A 34 10.888 6.595 1.319 1.00 0.00 O ATOM 510 CB LEU A 34 7.828 7.253 1.967 1.00 0.00 C ATOM 511 CG LEU A 34 6.480 6.743 2.493 1.00 0.00 C ATOM 512 CD1 LEU A 34 5.365 7.200 1.563 1.00 0.00 C ATOM 513 CD2 LEU A 34 6.517 5.225 2.598 1.00 0.00 C ATOM 514 H LEU A 34 8.334 8.351 4.242 1.00 0.00 H ATOM 515 HA LEU A 34 9.082 5.832 2.970 1.00 0.00 H ATOM 516 1HB LEU A 34 7.759 8.336 1.874 1.00 0.00 H ATOM 517 2HB LEU A 34 7.975 6.833 0.972 1.00 0.00 H ATOM 518 HG LEU A 34 6.289 7.170 3.478 1.00 0.00 H ATOM 519 1HD1 LEU A 34 4.407 6.838 1.938 1.00 0.00 H ATOM 520 2HD1 LEU A 34 5.349 8.290 1.523 1.00 0.00 H ATOM 521 3HD1 LEU A 34 5.538 6.802 0.564 1.00 0.00 H ATOM 522 1HD2 LEU A 34 5.560 4.863 2.973 1.00 0.00 H ATOM 523 2HD2 LEU A 34 6.707 4.797 1.613 1.00 0.00 H ATOM 524 3HD2 LEU A 34 7.312 4.927 3.282 1.00 0.00 H ATOM 525 N ALA A 35 10.766 8.568 2.393 1.00 0.00 N ATOM 526 CA ALA A 35 12.000 9.087 1.813 1.00 0.00 C ATOM 527 C ALA A 35 13.177 8.169 2.112 1.00 0.00 C ATOM 528 O ALA A 35 14.008 7.906 1.242 1.00 0.00 O ATOM 529 CB ALA A 35 12.280 10.491 2.331 1.00 0.00 C ATOM 530 H ALA A 35 10.236 9.151 3.025 1.00 0.00 H ATOM 531 HA ALA A 35 11.873 9.154 0.732 1.00 0.00 H ATOM 532 1HB ALA A 35 13.204 10.863 1.889 1.00 0.00 H ATOM 533 2HB ALA A 35 11.456 11.150 2.058 1.00 0.00 H ATOM 534 3HB ALA A 35 12.380 10.465 3.415 1.00 0.00 H ATOM 535 N GLU A 36 13.244 7.683 3.346 1.00 0.00 N ATOM 536 CA GLU A 36 14.274 6.727 3.738 1.00 0.00 C ATOM 537 C GLU A 36 14.046 5.371 3.083 1.00 0.00 C ATOM 538 O GLU A 36 14.992 4.712 2.653 1.00 0.00 O ATOM 539 CB GLU A 36 14.305 6.570 5.260 1.00 0.00 C ATOM 540 CG GLU A 36 14.815 7.793 6.008 1.00 0.00 C ATOM 541 CD GLU A 36 14.936 7.565 7.489 1.00 0.00 C ATOM 542 OE1 GLU A 36 14.479 6.548 7.954 1.00 0.00 O ATOM 543 OE2 GLU A 36 15.487 8.408 8.157 1.00 0.00 O ATOM 544 H GLU A 36 12.564 7.982 4.030 1.00 0.00 H ATOM 545 HA GLU A 36 15.243 7.112 3.418 1.00 0.00 H ATOM 546 1HB GLU A 36 13.301 6.350 5.624 1.00 0.00 H ATOM 547 2HB GLU A 36 14.942 5.726 5.526 1.00 0.00 H ATOM 548 1HG GLU A 36 15.793 8.066 5.613 1.00 0.00 H ATOM 549 2HG GLU A 36 14.136 8.625 5.828 1.00 0.00 H ATOM 550 N TRP A 37 12.784 4.960 3.009 1.00 0.00 N ATOM 551 CA TRP A 37 12.426 3.692 2.383 1.00 0.00 C ATOM 552 C TRP A 37 12.855 3.660 0.922 1.00 0.00 C ATOM 553 O TRP A 37 13.443 2.682 0.460 1.00 0.00 O ATOM 554 CB TRP A 37 10.918 3.455 2.482 1.00 0.00 C ATOM 555 CG TRP A 37 10.481 2.137 1.919 1.00 0.00 C ATOM 556 CD1 TRP A 37 10.451 0.941 2.571 1.00 0.00 C ATOM 557 CD2 TRP A 37 10.007 1.873 0.576 1.00 0.00 C ATOM 558 NE1 TRP A 37 9.994 -0.044 1.732 1.00 0.00 N ATOM 559 CE2 TRP A 37 9.716 0.508 0.507 1.00 0.00 C ATOM 560 CE3 TRP A 37 9.808 2.674 -0.555 1.00 0.00 C ATOM 561 CZ2 TRP A 37 9.236 -0.082 -0.651 1.00 0.00 C ATOM 562 CZ3 TRP A 37 9.326 2.083 -1.717 1.00 0.00 C ATOM 563 CH2 TRP A 37 9.047 0.740 -1.762 1.00 0.00 C ATOM 564 H TRP A 37 12.054 5.541 3.395 1.00 0.00 H ATOM 565 HA TRP A 37 12.937 2.889 2.916 1.00 0.00 H ATOM 566 1HB TRP A 37 10.611 3.500 3.527 1.00 0.00 H ATOM 567 2HB TRP A 37 10.390 4.247 1.952 1.00 0.00 H ATOM 568 HD1 TRP A 37 10.746 0.790 3.608 1.00 0.00 H ATOM 569 HE1 TRP A 37 9.880 -1.018 1.975 1.00 0.00 H ATOM 570 HE3 TRP A 37 10.026 3.742 -0.524 1.00 0.00 H ATOM 571 HZ2 TRP A 37 9.008 -1.147 -0.708 1.00 0.00 H ATOM 572 HZ3 TRP A 37 9.175 2.713 -2.593 1.00 0.00 H ATOM 573 HH2 TRP A 37 8.669 0.308 -2.690 1.00 0.00 H ATOM 574 N TRP A 38 12.555 4.732 0.198 1.00 0.00 N ATOM 575 CA TRP A 38 12.841 4.798 -1.230 1.00 0.00 C ATOM 576 C TRP A 38 14.338 4.708 -1.496 1.00 0.00 C ATOM 577 O TRP A 38 14.778 3.970 -2.379 1.00 0.00 O ATOM 578 CB TRP A 38 12.291 6.095 -1.826 1.00 0.00 C ATOM 579 CG TRP A 38 10.829 6.032 -2.151 1.00 0.00 C ATOM 580 CD1 TRP A 38 9.823 6.692 -1.511 1.00 0.00 C ATOM 581 CD2 TRP A 38 10.199 5.263 -3.203 1.00 0.00 C ATOM 582 NE1 TRP A 38 8.615 6.387 -2.089 1.00 0.00 N ATOM 583 CE2 TRP A 38 8.826 5.515 -3.127 1.00 0.00 C ATOM 584 CE3 TRP A 38 10.682 4.394 -4.190 1.00 0.00 C ATOM 585 CZ2 TRP A 38 7.923 4.928 -3.999 1.00 0.00 C ATOM 586 CZ3 TRP A 38 9.777 3.807 -5.065 1.00 0.00 C ATOM 587 CH2 TRP A 38 8.433 4.068 -4.972 1.00 0.00 C ATOM 588 H TRP A 38 12.116 5.523 0.649 1.00 0.00 H ATOM 589 HA TRP A 38 12.347 3.959 -1.721 1.00 0.00 H ATOM 590 1HB TRP A 38 12.451 6.914 -1.124 1.00 0.00 H ATOM 591 2HB TRP A 38 12.835 6.336 -2.739 1.00 0.00 H ATOM 592 HD1 TRP A 38 9.957 7.363 -0.665 1.00 0.00 H ATOM 593 HE1 TRP A 38 7.717 6.744 -1.798 1.00 0.00 H ATOM 594 HE3 TRP A 38 11.749 4.185 -4.270 1.00 0.00 H ATOM 595 HZ2 TRP A 38 6.852 5.123 -3.941 1.00 0.00 H ATOM 596 HZ3 TRP A 38 10.161 3.131 -5.830 1.00 0.00 H ATOM 597 HH2 TRP A 38 7.750 3.591 -5.675 1.00 0.00 H ATOM 598 N ARG A 39 15.117 5.462 -0.728 1.00 0.00 N ATOM 599 CA ARG A 39 16.560 5.530 -0.931 1.00 0.00 C ATOM 600 C ARG A 39 17.232 4.220 -0.543 1.00 0.00 C ATOM 601 O ARG A 39 18.137 3.748 -1.231 1.00 0.00 O ATOM 602 CB ARG A 39 17.162 6.667 -0.119 1.00 0.00 C ATOM 603 CG ARG A 39 16.879 8.059 -0.660 1.00 0.00 C ATOM 604 CD ARG A 39 17.776 9.077 -0.054 1.00 0.00 C ATOM 605 NE ARG A 39 17.510 9.257 1.364 1.00 0.00 N ATOM 606 CZ ARG A 39 16.689 10.196 1.875 1.00 0.00 C ATOM 607 NH1 ARG A 39 16.063 11.028 1.074 1.00 0.00 N ATOM 608 NH2 ARG A 39 16.513 10.279 3.183 1.00 0.00 N ATOM 609 H ARG A 39 14.699 6.002 0.016 1.00 0.00 H ATOM 610 HA ARG A 39 16.751 5.721 -1.988 1.00 0.00 H ATOM 611 1HB ARG A 39 16.783 6.626 0.901 1.00 0.00 H ATOM 612 2HB ARG A 39 18.245 6.545 -0.071 1.00 0.00 H ATOM 613 1HG ARG A 39 17.031 8.068 -1.740 1.00 0.00 H ATOM 614 2HG ARG A 39 15.848 8.334 -0.436 1.00 0.00 H ATOM 615 1HD ARG A 39 18.813 8.763 -0.169 1.00 0.00 H ATOM 616 2HD ARG A 39 17.629 10.034 -0.553 1.00 0.00 H ATOM 617 HE ARG A 39 17.974 8.635 2.013 1.00 0.00 H ATOM 618 1HH1 ARG A 39 16.197 10.965 0.074 1.00 0.00 H ATOM 619 2HH1 ARG A 39 15.448 11.732 1.457 1.00 0.00 H ATOM 620 1HH2 ARG A 39 16.995 9.639 3.799 1.00 0.00 H ATOM 621 2HH2 ARG A 39 15.899 10.982 3.565 1.00 0.00 H ATOM 622 N LYS A 40 16.786 3.636 0.564 1.00 0.00 N ATOM 623 CA LYS A 40 17.388 2.414 1.083 1.00 0.00 C ATOM 624 C LYS A 40 17.101 1.229 0.170 1.00 0.00 C ATOM 625 O LYS A 40 17.932 0.334 0.018 1.00 0.00 O ATOM 626 CB LYS A 40 16.881 2.124 2.496 1.00 0.00 C ATOM 627 CG LYS A 40 17.434 3.056 3.566 1.00 0.00 C ATOM 628 CD LYS A 40 16.831 2.752 4.929 1.00 0.00 C ATOM 629 CE LYS A 40 17.378 3.685 5.999 1.00 0.00 C ATOM 630 NZ LYS A 40 16.771 3.422 7.331 1.00 0.00 N ATOM 631 H LYS A 40 16.009 4.051 1.060 1.00 0.00 H ATOM 632 HA LYS A 40 18.468 2.557 1.139 1.00 0.00 H ATOM 633 1HB LYS A 40 15.793 2.200 2.515 1.00 0.00 H ATOM 634 2HB LYS A 40 17.142 1.103 2.775 1.00 0.00 H ATOM 635 1HG LYS A 40 18.517 2.942 3.624 1.00 0.00 H ATOM 636 2HG LYS A 40 17.208 4.088 3.301 1.00 0.00 H ATOM 637 1HD LYS A 40 15.747 2.864 4.881 1.00 0.00 H ATOM 638 2HD LYS A 40 17.059 1.723 5.207 1.00 0.00 H ATOM 639 1HE LYS A 40 18.457 3.559 6.074 1.00 0.00 H ATOM 640 2HE LYS A 40 17.175 4.719 5.719 1.00 0.00 H ATOM 641 1HZ LYS A 40 17.159 4.061 8.011 1.00 0.00 H ATOM 642 2HZ LYS A 40 15.770 3.555 7.278 1.00 0.00 H ATOM 643 3HZ LYS A 40 16.969 2.473 7.611 1.00 0.00 H ATOM 644 N ARG A 41 15.919 1.228 -0.435 1.00 0.00 N ATOM 645 CA ARG A 41 15.518 0.151 -1.334 1.00 0.00 C ATOM 646 C ARG A 41 16.298 0.206 -2.640 1.00 0.00 C ATOM 647 O ARG A 41 16.726 -0.824 -3.162 1.00 0.00 O ATOM 648 CB ARG A 41 14.028 0.229 -1.632 1.00 0.00 C ATOM 649 CG ARG A 41 13.492 -0.894 -2.506 1.00 0.00 C ATOM 650 CD ARG A 41 12.012 -0.837 -2.627 1.00 0.00 C ATOM 651 NE ARG A 41 11.499 -1.876 -3.505 1.00 0.00 N ATOM 652 CZ ARG A 41 11.220 -3.136 -3.118 1.00 0.00 C ATOM 653 NH1 ARG A 41 11.408 -3.497 -1.868 1.00 0.00 N ATOM 654 NH2 ARG A 41 10.756 -4.009 -3.995 1.00 0.00 N ATOM 655 H ARG A 41 15.279 1.993 -0.269 1.00 0.00 H ATOM 656 HA ARG A 41 15.722 -0.801 -0.844 1.00 0.00 H ATOM 657 1HB ARG A 41 13.469 0.215 -0.698 1.00 0.00 H ATOM 658 2HB ARG A 41 13.806 1.171 -2.133 1.00 0.00 H ATOM 659 1HG ARG A 41 13.920 -0.813 -3.506 1.00 0.00 H ATOM 660 2HG ARG A 41 13.764 -1.856 -2.071 1.00 0.00 H ATOM 661 1HD ARG A 41 11.562 -0.969 -1.643 1.00 0.00 H ATOM 662 2HD ARG A 41 11.717 0.130 -3.033 1.00 0.00 H ATOM 663 HE ARG A 41 11.341 -1.636 -4.475 1.00 0.00 H ATOM 664 1HH1 ARG A 41 11.763 -2.829 -1.198 1.00 0.00 H ATOM 665 2HH1 ARG A 41 11.198 -4.441 -1.578 1.00 0.00 H ATOM 666 1HH2 ARG A 41 10.611 -3.731 -4.956 1.00 0.00 H ATOM 667 2HH2 ARG A 41 10.546 -4.952 -3.705 1.00 0.00 H ATOM 668 N ALA A 42 16.480 1.413 -3.166 1.00 0.00 N ATOM 669 CA ALA A 42 17.180 1.601 -4.430 1.00 0.00 C ATOM 670 C ALA A 42 18.674 1.343 -4.277 1.00 0.00 C ATOM 671 O ALA A 42 19.319 0.818 -5.184 1.00 0.00 O ATOM 672 CB ALA A 42 16.937 3.004 -4.966 1.00 0.00 C ATOM 673 H ALA A 42 16.124 2.221 -2.675 1.00 0.00 H ATOM 674 HA ALA A 42 16.777 0.895 -5.158 1.00 0.00 H ATOM 675 1HB ALA A 42 17.466 3.129 -5.911 1.00 0.00 H ATOM 676 2HB ALA A 42 15.869 3.153 -5.125 1.00 0.00 H ATOM 677 3HB ALA A 42 17.302 3.736 -4.247 1.00 0.00 H ATOM 678 N LYS A 43 19.218 1.716 -3.123 1.00 0.00 N ATOM 679 CA LYS A 43 20.645 1.568 -2.867 1.00 0.00 C ATOM 680 C LYS A 43 21.104 0.136 -3.112 1.00 0.00 C ATOM 681 O LYS A 43 20.336 -0.810 -2.938 1.00 0.00 O ATOM 682 OXT LYS A 43 22.226 -0.081 -3.477 1.00 0.00 O ATOM 683 CB LYS A 43 20.979 1.990 -1.435 1.00 0.00 C ATOM 684 CG LYS A 43 22.461 1.931 -1.091 1.00 0.00 C ATOM 685 CD LYS A 43 22.721 2.440 0.319 1.00 0.00 C ATOM 686 CE LYS A 43 24.203 2.390 0.661 1.00 0.00 C ATOM 687 NZ LYS A 43 24.473 2.885 2.039 1.00 0.00 N ATOM 688 H LYS A 43 18.627 2.111 -2.406 1.00 0.00 H ATOM 689 HA LYS A 43 21.189 2.220 -3.552 1.00 0.00 H ATOM 690 1HB LYS A 43 20.637 3.012 -1.268 1.00 0.00 H ATOM 691 2HB LYS A 43 20.446 1.348 -0.733 1.00 0.00 H ATOM 692 1HG LYS A 43 22.811 0.900 -1.167 1.00 0.00 H ATOM 693 2HG LYS A 43 23.023 2.540 -1.798 1.00 0.00 H ATOM 694 1HD LYS A 43 22.371 3.469 0.405 1.00 0.00 H ATOM 695 2HD LYS A 43 22.173 1.827 1.034 1.00 0.00 H ATOM 696 1HE LYS A 43 24.561 1.365 0.580 1.00 0.00 H ATOM 697 2HE LYS A 43 24.761 3.003 -0.047 1.00 0.00 H ATOM 698 1HZ LYS A 43 25.465 2.836 2.226 1.00 0.00 H ATOM 699 2HZ LYS A 43 24.162 3.843 2.120 1.00 0.00 H ATOM 700 3HZ LYS A 43 23.977 2.312 2.706 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE start14_0128_0002.pdb label fa_atr fa_rep fa_sol fa_intra_atr_xover4 fa_intra_rep_xover4 fa_intra_sol_xover4 lk_ball lk_ball_iso lk_ball_bridge lk_ball_bridge_uncpl fa_elec fa_intra_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun_dev fa_dun_rot fa_dun_semi p_aa_pp hxl_tors ref rama_prepro gen_bonded total weights 1 0.55 1 1 0.55 1 0.92 -0.38 -0.33 -0.33 1 1 1.25 1 1 1 1 1.25 0.48 0.69 0.76 0.78 0.61 1 1 0.5 1 NA pose -207.613 25.8522 138.981 -15.2624 7.66964 10.9647 74.5191 -85.5096 -0.36959 -2.12873 -51.6644 -14.8543 0 -20.5499 -6.52349 -2.24312 -1.55899 0 2.42153 3.00812 25.8007 36.426 -12.4855 5.79384 -14.0639 -2.73519 0 -106.125 SER:NtermProteinFull_1 -3.10215 0.10463 4.14223 -0.02227 0 0.02855 2.74149 -1.8673 -0 -0 -3.356 -1.19499 0 0 0 -1.12156 0 0 0.24738 0.00268 0.83075 0 0 0.60952 -0.77834 0 0 -2.73538 ILE_2 -7.78258 1.27849 2.46792 -0.63865 1.08745 0.1484 2.24318 -2.18166 -0 -0 -2.14071 -0.01275 0 0 0 -0.0998 0 0 -0.06762 0.68601 3.36382 0 -0.37257 0 0.73287 0.06094 0 -1.22727 GLU_3 -4.30096 0.33562 4.87115 -0.46178 0.20419 1.43111 1.46672 -2.22138 -0.0146 -0.08498 -1.69624 -2.89245 0 0 0 0 0 0 -0.07236 0.01471 0 3.81938 -0.33156 0 -2.7348 -0.10649 0 -2.77471 ASP_4 -4.2914 0.31524 6.07057 -0.11052 0.00132 0.33269 2.92082 -2.70567 -0.0146 -0.08498 -3.16591 -0.57059 0 0 0 -1.02176 0 0 0.43059 0.0974 0 2.45384 -0.25977 0 -2.3716 -0.33731 0 -2.31163 LEU_5 -5.92501 0.45965 4.1597 -0.50389 0.46859 0.12243 2.53982 -2.47489 -0 -0 -1.68448 0.23359 0 0 0 0 0 0 0.15014 0.12226 0.32128 0 -0.30552 0 0.18072 -0.24616 0 -2.38178 LEU_6 -7.85213 0.96948 4.10472 -0.50033 0.52819 0.11493 3.17894 -2.95393 -0 -0 -1.29259 0.26963 0 0 0 0 0 0 0.03976 0.03458 0.62102 0 -0.22315 0 0.18072 0.09184 0 -2.68832 LYS_7 -4.71498 0.24822 5.70856 -0.306 0.028 0.13732 2.46551 -2.57892 -0.0209 -0.16147 -1.60182 -0.01659 0 0 0 0 0 0 0.07871 0.01257 1.75062 0 -0.0153 0 -1.5107 0.02952 0 -0.46766 HIS_D_8 -5.34495 0.3621 6.04418 -0.70308 0.01231 0.7514 2.74504 -2.79828 -0.01882 -0.15497 -2.46561 -0.28887 0 0 0 0 0 0 -0.00063 0.01256 0 1.6826 -0.04674 0 -0.45461 0.03874 0 -0.62764 ALA_9 -6.50987 0.88173 4.03187 -0.0222 0 0 3.18054 -2.87521 -0 -0 -2.94874 -0.36418 0 0 0 0 0 0 -0.00695 0 0 0 -0.31578 0 1.8394 0.03713 0 -3.07226 GLU_10 -4.26839 0.30791 5.21823 -0.21474 0.02595 0.29651 2.08629 -2.4339 -0.0209 -0.16147 -1.00016 -0.58994 0 0 0 0 0 0 0.14411 0.05778 0 3.01182 -0.27788 0 -2.7348 -0.35926 0 -0.91285 GLU_11 -3.25806 0.25457 4.21305 -0.21579 0.02771 0.3009 1.58178 -1.89316 -0.01882 -0.15497 -0.45466 -0.59558 0 0 0 0 0 0 0.22963 0.01701 0 3.01954 -0.31166 0 -2.7348 -0.45838 0 -0.45169 ARG_12 -4.71272 0.36409 3.94814 -0.63078 0.09472 0.37009 1.38992 -1.86191 -0 -0 -0.76677 0.4525 0 0 0 0 0 0 0.11353 0.05262 2.41899 0 -0.16152 0 -1.2888 -0.36031 0 -0.5782 GLY_13 -1.89943 0.12718 2.48353 -6e-05 0 0 1.09597 -1.20819 -0 -0 -0.65154 -0.34775 0 0 0 0 0 0 -0.12824 0 0 0 -1.53884 0 0.83697 0.52629 0 -0.7041 ILE_14 -5.50182 0.55348 1.86838 -0.49133 0.5678 0.105 1.4529 -1.73812 -0 -0 -0.60147 0.26122 0 0 0 0 0 0 -0.04736 0.04369 0.42822 0 -0.52575 0 0.73287 0.35508 0 -2.53722 GLU_15 -1.73869 0.08965 1.44076 -0.29681 0.05641 0.35943 0.32633 -0.8206 -0.02405 -0.15458 0.28973 -0.29311 0 0 0 0 0 0 0.01156 0.00267 0 2.80042 0.03595 0 -2.7348 -0.43403 0 -1.08375 ALA_16 -3.47155 0.73565 0.86128 -0.02194 0 0 0.42402 -1.1774 -0 -0 0.04478 -0.27025 0 0 0 0 0 0 0.02349 0 0 0 0.14815 0 1.8394 -0.07784 0 -0.94221 THR_17 -3.35322 0.36633 3.21196 -0.21244 0.15651 0.07688 2.09961 -1.68498 -0.00177 -0.0048 -2.32574 -0.89605 0 0 0 0 0 0 0.15868 0 1.40136 0 -0.70802 2.28912 -1.0874 0.014 0 -0.49998 GLU_18 -3.01864 0.22091 1.86013 -0.22581 0.02979 0.35478 0.83645 -1.0242 -0.01425 -0.04951 -1.58021 -0.5108 0 0 0 0 -0.77949 0 -0.06517 0.04771 0 3.49759 0.33283 0 -2.7348 -0.01831 0 -2.84102 ILE_19 -7.0147 0.85848 2.8298 -0.48502 0.57753 0.10395 2.44897 -2.35381 -0.00177 -0.0048 -1.89442 0.04771 0 0 0 0 0 0 0.24215 0.11655 0.38993 0 -0.78433 0 0.73287 -0.25424 0 -4.44515 THR_20 -4.23172 0.35383 1.55075 -0.17661 0.10547 0.06333 0.60502 -1.50948 -0.01425 -0.04951 -0.40487 -0.03361 0 0 0 0 0 0 0.3119 0.06019 0.06021 0 0.03994 2.28999 -1.0874 -0.26816 0 -2.33499 LEU_21 -7.72776 1.99516 2.63113 -0.52352 0.44012 0.13569 1.89539 -2.40944 -0.00023 -0.00688 -1.35652 0.10657 0 0 0 0 0 0 0.00528 0.44933 1.06014 0 -0.30176 0 0.18072 0.0176 0 -3.40898 ALA_22 -2.56662 0.50114 1.51156 -0.02789 0.0158 0 0.55705 -1.20449 -0 -0 0.10654 -0.61466 0 0 0 0 0 0 -0.09395 0 0 0 0.23528 0 1.8394 0.32771 0 0.58687 ASN_23 -1.89951 0.46937 1.49164 -0.19275 0.03359 0.32632 0.2957 -0.9594 -0 -0 0.12987 -1.01039 0 0 0 0 0 0 -0.07546 0.02957 0 1.81149 -0.97891 0 -0.93687 0.09324 0 -1.37248 GLY_24 -1.96929 0.22891 2.51734 -0.00022 0 0 1.12635 -1.33353 -0.02476 -0.112 -0.51316 -0.20023 0 0 0 0 0 0 -0.01924 0 0 0 -1.03804 0 0.83697 0.6125 0 0.1116 SER_25 -2.17765 0.08446 2.67339 -0.02646 0 0.06178 1.31861 -1.3189 -0.02502 -0.11898 -1.36264 -0.51239 0 0 0 0 0 0 0.04141 0.00012 0.14474 0 -0.48301 0.60522 -0.77834 0.66726 0 -1.2064 VAL_26 -3.95111 0.49912 1.06088 -0.27164 0.19837 0.05626 0.55613 -1.24317 -0 -0 -0.05085 -0.21215 0 0 0 0 0 0 -0.07327 0.00013 0.35643 0 -0.80848 0 1.9342 -0.42648 0 -2.37563 VAL_27 -6.32809 1.06959 1.49086 -0.38715 0.58811 0.09375 2.16431 -1.88145 -2e-05 -0.0001 -1.95569 -0.0244 0 0 0 0 0 0 -0.02959 0.02611 0.76149 0 -0.72597 0 1.9342 -0.42137 0 -3.62541 ARG_28 -3.95604 0.59693 2.27053 -0.72533 0.12169 0.47287 1.09084 -1.3707 -0.01432 -0.05312 -1.29975 0.47969 0 0 0 0 -0.77949 0 0.52851 0.06677 2.21264 0 0.12766 0 -1.2888 -0.13715 0 -1.65659 VAL_29 -7.66024 1.52864 1.43921 -0.27539 0.19751 0.05931 2.27423 -2.42878 -0.02269 -0.14922 -1.02717 -0.26847 0 0 0 0 0 0 -0.06605 0 0.24626 0 -0.77858 0 1.9342 -0.20287 0 -5.2001 ALA_30 -4.50547 1.00581 0.37623 -0.02318 0 0 0.62704 -1.41457 -0.02159 -0.07766 0.5977 -0.36149 0 0 0 0 0 0 0.13012 0 0 0 0.22907 0 1.8394 -0.13476 0 -1.73336 LEU_31 -6.42596 0.76564 2.47255 -0.49505 0.40017 0.11099 2.03081 -2.07092 -0 -0 -1.08016 0.10792 0 0 0 0 0 0 -0.03426 0.13581 1.02401 0 -0.30796 0 0.18072 0.0129 0 -3.17278 GLU_32 -2.78429 0.21551 3.28252 -0.45654 0.19972 1.41794 1.51573 -1.67442 -0.03417 -0.16859 -0.68072 -2.90387 0 0 0 0 0 0 0.05282 0.03035 0 3.98341 -0.34198 0 -2.7348 -0.32284 0 -1.40422 GLU_33 -2.84022 0.17431 3.03421 -0.34037 0.08072 0.41291 1.00057 -1.44035 -0.03387 -0.22439 -0.29781 -0.63968 0 0 0 0 0 0 -0.0461 0.00908 0 3.27485 -0.20663 0 -2.7348 -0.32351 0 -1.14105 LEU_34 -9.15523 1.74769 3.66065 -0.52197 0.71529 0.13058 2.57733 -2.77788 -0 -0 -1.41449 0.24586 0 0 0 0 0 0 0.17988 0.07409 0.30284 0 -0.27564 0 0.18072 -0.20836 0 -4.53865 ALA_35 -5.85406 0.69362 4.09459 -0.02146 0 0 2.45273 -2.79668 -0 -0 -1.70976 -0.35865 0 0 0 0 0 0 0.20562 0 0 0 -0.24394 0 1.8394 -0.04326 0 -1.74184 GLU_36 -5.00823 0.36969 6.29434 -0.21354 0.02504 0.28708 2.17672 -2.74342 -0.01229 -0.09216 -2.24618 -0.5735 0 0 0 0 0 0 0.05759 0.11269 0 3.07615 -0.2617 0 -2.7348 -0.10987 0 -1.59641 TRP_37 -8.71216 1.15517 4.16201 -1.28872 0.08657 0.49774 2.4238 -2.71556 -0 -0 -1.79073 -0.26485 0 0 0 0 0 0 -0.00242 0.03224 0 1.69765 -0.272 0 1.6906 -0.05408 0 -3.35473 TRP_38 -10.998 1.7974 3.3744 -0.92831 0.05218 0.29359 2.61472 -3.20039 -0 -0 -2.49843 -0.43462 0 0 0 0 0 0 -0.00425 0.20801 0 2.29723 -0.22006 0 1.6906 0.22622 0 -5.72974 ARG_39 -6.82946 0.37662 5.91067 -0.74897 0.22537 0.47447 2.413 -3.10689 -0 -0 -1.69514 0.4223 0 0 0 0 0 0 -0.03845 0.35915 1.51586 0 -0.06444 0 -1.2888 0.08931 0 -1.98539 LYS_40 -4.27027 0.27111 5.23131 -0.30702 0.02724 0.14067 1.63446 -2.24425 -0.01129 -0.03839 -1.23649 -0.05581 0 0 0 0 0 0 -0.00743 0.07793 1.84025 0 -0.078 0 -1.5107 -0.21027 0 -0.74696 ARG_41 -3.89462 0.36522 3.79135 -0.74127 0.19551 0.46614 1.4422 -1.77653 -0 -0 -0.52044 0.23906 0 0 0 0 0 0 -0.03429 0.01357 3.16391 0 -0.0599 0 -1.2888 -0.18564 0 1.17548 ALA_42 -3.42554 0.61861 1.84993 -0.02257 0 0 1.15656 -1.54694 -0 -0 -0.16943 -0.36038 0 0 0 0 0 0 -0.04825 0 0 0 -0.00897 0 1.8394 -0.1097 0 -0.22727 LYS:CtermProteinFull_43 -2.38002 0.13521 3.2725 -0.48302 0.09468 0.42891 1.34544 -1.48798 -0.0046 -0.02122 0.10452 -0.04731 0 0 0 0 0 0 0 0.00218 1.58595 0 0 0 -1.5107 -0.1248 0 0.90975 #END_POSE_ENERGIES_TABLE start14_0128_0002.pdb score_per_res -1.95452 total_score -84.0442
HEEH_KT_rd6_5090.pdb
ATOM 1 N GLY A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA GLY A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C GLY A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O GLY A 1 1.995 2.102 -1.025 1.00 0.00 O ATOM 5 1H GLY A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 6 2H GLY A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 7 3H GLY A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 8 1HA GLY A 1 1.822 -0.535 0.877 1.00 0.00 H ATOM 9 2HA GLY A 1 1.822 -0.535 -0.876 1.00 0.00 H ATOM 10 N GLU A 2 2.494 1.862 1.156 1.00 0.00 N ATOM 11 CA GLU A 2 3.059 3.199 1.289 1.00 0.00 C ATOM 12 C GLU A 2 4.306 3.359 0.429 1.00 0.00 C ATOM 13 O GLU A 2 4.528 4.411 -0.170 1.00 0.00 O ATOM 14 CB GLU A 2 3.395 3.493 2.753 1.00 0.00 C ATOM 15 CG GLU A 2 2.183 3.607 3.666 1.00 0.00 C ATOM 16 CD GLU A 2 1.611 2.270 4.048 1.00 0.00 C ATOM 17 OE1 GLU A 2 2.167 1.273 3.656 1.00 0.00 O ATOM 18 OE2 GLU A 2 0.616 2.247 4.734 1.00 0.00 O ATOM 19 H GLU A 2 2.469 1.255 1.963 1.00 0.00 H ATOM 20 HA GLU A 2 2.312 3.923 0.961 1.00 0.00 H ATOM 21 1HB GLU A 2 4.036 2.702 3.144 1.00 0.00 H ATOM 22 2HB GLU A 2 3.952 4.428 2.817 1.00 0.00 H ATOM 23 1HG GLU A 2 2.473 4.138 4.572 1.00 0.00 H ATOM 24 2HG GLU A 2 1.416 4.195 3.163 1.00 0.00 H ATOM 25 N HIS A 3 5.117 2.308 0.371 1.00 0.00 N ATOM 26 CA HIS A 3 6.349 2.334 -0.406 1.00 0.00 C ATOM 27 C HIS A 3 6.058 2.358 -1.901 1.00 0.00 C ATOM 28 O HIS A 3 6.882 2.808 -2.697 1.00 0.00 O ATOM 29 CB HIS A 3 7.226 1.123 -0.071 1.00 0.00 C ATOM 30 CG HIS A 3 6.604 -0.189 -0.435 1.00 0.00 C ATOM 31 ND1 HIS A 3 5.648 -0.802 0.348 1.00 0.00 N ATOM 32 CD2 HIS A 3 6.801 -1.005 -1.497 1.00 0.00 C ATOM 33 CE1 HIS A 3 5.284 -1.940 -0.218 1.00 0.00 C ATOM 34 NE2 HIS A 3 5.968 -2.086 -1.338 1.00 0.00 N ATOM 35 H HIS A 3 4.872 1.470 0.879 1.00 0.00 H ATOM 36 HA HIS A 3 6.905 3.235 -0.143 1.00 0.00 H ATOM 37 1HB HIS A 3 8.178 1.207 -0.596 1.00 0.00 H ATOM 38 2HB HIS A 3 7.440 1.114 0.997 1.00 0.00 H ATOM 39 HD2 HIS A 3 7.491 -0.837 -2.324 1.00 0.00 H ATOM 40 HE1 HIS A 3 4.544 -2.638 0.172 1.00 0.00 H ATOM 41 HE2 HIS A 3 5.896 -2.864 -1.978 1.00 0.00 H ATOM 42 N ALA A 4 4.879 1.872 -2.277 1.00 0.00 N ATOM 43 CA ALA A 4 4.473 1.845 -3.676 1.00 0.00 C ATOM 44 C ALA A 4 4.147 3.244 -4.184 1.00 0.00 C ATOM 45 O ALA A 4 4.530 3.618 -5.292 1.00 0.00 O ATOM 46 CB ALA A 4 3.277 0.923 -3.863 1.00 0.00 C ATOM 47 H ALA A 4 4.249 1.513 -1.574 1.00 0.00 H ATOM 48 HA ALA A 4 5.297 1.441 -4.268 1.00 0.00 H ATOM 49 1HB ALA A 4 2.986 0.912 -4.913 1.00 0.00 H ATOM 50 2HB ALA A 4 3.544 -0.087 -3.550 1.00 0.00 H ATOM 51 3HB ALA A 4 2.444 1.281 -3.259 1.00 0.00 H ATOM 52 N GLU A 5 3.437 4.012 -3.366 1.00 0.00 N ATOM 53 CA GLU A 5 3.120 5.397 -3.698 1.00 0.00 C ATOM 54 C GLU A 5 4.384 6.238 -3.818 1.00 0.00 C ATOM 55 O GLU A 5 4.489 7.096 -4.695 1.00 0.00 O ATOM 56 CB GLU A 5 2.193 6.001 -2.641 1.00 0.00 C ATOM 57 CG GLU A 5 0.781 5.431 -2.643 1.00 0.00 C ATOM 58 CD GLU A 5 -0.100 6.047 -1.592 1.00 0.00 C ATOM 59 OE1 GLU A 5 0.407 6.770 -0.768 1.00 0.00 O ATOM 60 OE2 GLU A 5 -1.281 5.794 -1.614 1.00 0.00 O ATOM 61 H GLU A 5 3.108 3.629 -2.491 1.00 0.00 H ATOM 62 HA GLU A 5 2.597 5.412 -4.655 1.00 0.00 H ATOM 63 1HB GLU A 5 2.617 5.840 -1.650 1.00 0.00 H ATOM 64 2HB GLU A 5 2.119 7.078 -2.794 1.00 0.00 H ATOM 65 1HG GLU A 5 0.333 5.601 -3.622 1.00 0.00 H ATOM 66 2HG GLU A 5 0.835 4.355 -2.481 1.00 0.00 H ATOM 67 N GLU A 6 5.342 5.986 -2.932 1.00 0.00 N ATOM 68 CA GLU A 6 6.633 6.663 -2.987 1.00 0.00 C ATOM 69 C GLU A 6 7.404 6.278 -4.243 1.00 0.00 C ATOM 70 O GLU A 6 8.102 7.104 -4.833 1.00 0.00 O ATOM 71 CB GLU A 6 7.463 6.330 -1.745 1.00 0.00 C ATOM 72 CG GLU A 6 6.929 6.930 -0.452 1.00 0.00 C ATOM 73 CD GLU A 6 7.732 6.529 0.754 1.00 0.00 C ATOM 74 OE1 GLU A 6 8.588 5.688 0.622 1.00 0.00 O ATOM 75 OE2 GLU A 6 7.488 7.064 1.810 1.00 0.00 O ATOM 76 H GLU A 6 5.173 5.308 -2.203 1.00 0.00 H ATOM 77 HA GLU A 6 6.459 7.740 -2.999 1.00 0.00 H ATOM 78 1HB GLU A 6 7.509 5.248 -1.618 1.00 0.00 H ATOM 79 2HB GLU A 6 8.484 6.687 -1.883 1.00 0.00 H ATOM 80 1HG GLU A 6 6.940 8.017 -0.537 1.00 0.00 H ATOM 81 2HG GLU A 6 5.896 6.614 -0.317 1.00 0.00 H ATOM 82 N LEU A 7 7.275 5.019 -4.648 1.00 0.00 N ATOM 83 CA LEU A 7 7.961 4.522 -5.835 1.00 0.00 C ATOM 84 C LEU A 7 7.537 5.291 -7.080 1.00 0.00 C ATOM 85 O LEU A 7 8.368 5.635 -7.920 1.00 0.00 O ATOM 86 CB LEU A 7 7.673 3.027 -6.026 1.00 0.00 C ATOM 87 CG LEU A 7 8.358 2.367 -7.229 1.00 0.00 C ATOM 88 CD1 LEU A 7 9.869 2.495 -7.088 1.00 0.00 C ATOM 89 CD2 LEU A 7 7.939 0.907 -7.313 1.00 0.00 C ATOM 90 H LEU A 7 6.685 4.391 -4.121 1.00 0.00 H ATOM 91 HA LEU A 7 9.035 4.651 -5.692 1.00 0.00 H ATOM 92 1HB LEU A 7 7.991 2.495 -5.131 1.00 0.00 H ATOM 93 2HB LEU A 7 6.598 2.893 -6.142 1.00 0.00 H ATOM 94 HG LEU A 7 8.064 2.882 -8.144 1.00 0.00 H ATOM 95 1HD1 LEU A 7 10.355 2.026 -7.943 1.00 0.00 H ATOM 96 2HD1 LEU A 7 10.142 3.550 -7.049 1.00 0.00 H ATOM 97 3HD1 LEU A 7 10.191 2.002 -6.171 1.00 0.00 H ATOM 98 1HD2 LEU A 7 8.425 0.437 -8.169 1.00 0.00 H ATOM 99 2HD2 LEU A 7 8.234 0.390 -6.400 1.00 0.00 H ATOM 100 3HD2 LEU A 7 6.857 0.845 -7.432 1.00 0.00 H ATOM 101 N LEU A 8 6.241 5.558 -7.191 1.00 0.00 N ATOM 102 CA LEU A 8 5.697 6.245 -8.357 1.00 0.00 C ATOM 103 C LEU A 8 6.262 7.655 -8.478 1.00 0.00 C ATOM 104 O LEU A 8 6.611 8.101 -9.570 1.00 0.00 O ATOM 105 CB LEU A 8 4.167 6.307 -8.270 1.00 0.00 C ATOM 106 CG LEU A 8 3.460 6.966 -9.461 1.00 0.00 C ATOM 107 CD1 LEU A 8 3.860 6.255 -10.747 1.00 0.00 C ATOM 108 CD2 LEU A 8 1.954 6.910 -9.251 1.00 0.00 C ATOM 109 H LEU A 8 5.615 5.278 -6.449 1.00 0.00 H ATOM 110 HA LEU A 8 5.969 5.681 -9.249 1.00 0.00 H ATOM 111 1HB LEU A 8 3.784 5.292 -8.177 1.00 0.00 H ATOM 112 2HB LEU A 8 3.892 6.861 -7.373 1.00 0.00 H ATOM 113 HG LEU A 8 3.777 8.006 -9.543 1.00 0.00 H ATOM 114 1HD1 LEU A 8 3.357 6.723 -11.593 1.00 0.00 H ATOM 115 2HD1 LEU A 8 4.939 6.326 -10.882 1.00 0.00 H ATOM 116 3HD1 LEU A 8 3.570 5.206 -10.688 1.00 0.00 H ATOM 117 1HD2 LEU A 8 1.451 7.379 -10.098 1.00 0.00 H ATOM 118 2HD2 LEU A 8 1.636 5.871 -9.171 1.00 0.00 H ATOM 119 3HD2 LEU A 8 1.694 7.441 -8.335 1.00 0.00 H ATOM 120 N ARG A 9 6.350 8.351 -7.349 1.00 0.00 N ATOM 121 CA ARG A 9 6.949 9.679 -7.313 1.00 0.00 C ATOM 122 C ARG A 9 8.453 9.612 -7.544 1.00 0.00 C ATOM 123 O ARG A 9 9.023 10.455 -8.237 1.00 0.00 O ATOM 124 CB ARG A 9 6.673 10.354 -5.978 1.00 0.00 C ATOM 125 CG ARG A 9 5.230 10.783 -5.764 1.00 0.00 C ATOM 126 CD ARG A 9 5.101 11.728 -4.626 1.00 0.00 C ATOM 127 NE ARG A 9 5.444 11.103 -3.359 1.00 0.00 N ATOM 128 CZ ARG A 9 4.577 10.429 -2.578 1.00 0.00 C ATOM 129 NH1 ARG A 9 3.321 10.303 -2.948 1.00 0.00 N ATOM 130 NH2 ARG A 9 4.988 9.895 -1.442 1.00 0.00 N ATOM 131 H ARG A 9 5.992 7.949 -6.495 1.00 0.00 H ATOM 132 HA ARG A 9 6.501 10.283 -8.104 1.00 0.00 H ATOM 133 1HB ARG A 9 6.940 9.679 -5.167 1.00 0.00 H ATOM 134 2HB ARG A 9 7.298 11.242 -5.883 1.00 0.00 H ATOM 135 1HG ARG A 9 4.859 11.275 -6.663 1.00 0.00 H ATOM 136 2HG ARG A 9 4.618 9.905 -5.552 1.00 0.00 H ATOM 137 1HD ARG A 9 5.768 12.576 -4.780 1.00 0.00 H ATOM 138 2HD ARG A 9 4.073 12.083 -4.563 1.00 0.00 H ATOM 139 HE ARG A 9 6.401 11.178 -3.042 1.00 0.00 H ATOM 140 1HH1 ARG A 9 3.007 10.711 -3.817 1.00 0.00 H ATOM 141 2HH1 ARG A 9 2.671 9.798 -2.363 1.00 0.00 H ATOM 142 1HH2 ARG A 9 5.953 9.992 -1.158 1.00 0.00 H ATOM 143 2HH2 ARG A 9 4.338 9.391 -0.857 1.00 0.00 H ATOM 144 N LEU A 10 9.091 8.604 -6.959 1.00 0.00 N ATOM 145 CA LEU A 10 10.543 8.477 -7.022 1.00 0.00 C ATOM 146 C LEU A 10 11.036 8.498 -8.463 1.00 0.00 C ATOM 147 O LEU A 10 12.005 9.183 -8.788 1.00 0.00 O ATOM 148 CB LEU A 10 10.992 7.177 -6.342 1.00 0.00 C ATOM 149 CG LEU A 10 12.500 6.901 -6.365 1.00 0.00 C ATOM 150 CD1 LEU A 10 13.227 7.983 -5.578 1.00 0.00 C ATOM 151 CD2 LEU A 10 12.773 5.523 -5.779 1.00 0.00 C ATOM 152 H LEU A 10 8.557 7.908 -6.458 1.00 0.00 H ATOM 153 HA LEU A 10 10.987 9.317 -6.488 1.00 0.00 H ATOM 154 1HB LEU A 10 10.676 7.204 -5.300 1.00 0.00 H ATOM 155 2HB LEU A 10 10.494 6.339 -6.830 1.00 0.00 H ATOM 156 HG LEU A 10 12.862 6.936 -7.393 1.00 0.00 H ATOM 157 1HD1 LEU A 10 14.300 7.787 -5.595 1.00 0.00 H ATOM 158 2HD1 LEU A 10 13.031 8.955 -6.030 1.00 0.00 H ATOM 159 3HD1 LEU A 10 12.874 7.983 -4.548 1.00 0.00 H ATOM 160 1HD2 LEU A 10 13.846 5.326 -5.796 1.00 0.00 H ATOM 161 2HD2 LEU A 10 12.414 5.487 -4.751 1.00 0.00 H ATOM 162 3HD2 LEU A 10 12.256 4.768 -6.371 1.00 0.00 H ATOM 163 N ALA A 11 10.361 7.743 -9.325 1.00 0.00 N ATOM 164 CA ALA A 11 10.758 7.638 -10.725 1.00 0.00 C ATOM 165 C ALA A 11 10.766 9.003 -11.400 1.00 0.00 C ATOM 166 O ALA A 11 11.695 9.338 -12.135 1.00 0.00 O ATOM 167 CB ALA A 11 9.832 6.686 -11.468 1.00 0.00 C ATOM 168 H ALA A 11 9.553 7.230 -9.003 1.00 0.00 H ATOM 169 HA ALA A 11 11.765 7.221 -10.768 1.00 0.00 H ATOM 170 1HB ALA A 11 10.140 6.618 -12.511 1.00 0.00 H ATOM 171 2HB ALA A 11 9.881 5.699 -11.009 1.00 0.00 H ATOM 172 3HB ALA A 11 8.810 7.059 -11.415 1.00 0.00 H ATOM 173 N HIS A 12 9.724 9.789 -11.146 1.00 0.00 N ATOM 174 CA HIS A 12 9.510 11.035 -11.873 1.00 0.00 C ATOM 175 C HIS A 12 10.339 12.168 -11.282 1.00 0.00 C ATOM 176 O HIS A 12 10.755 13.081 -11.994 1.00 0.00 O ATOM 177 CB HIS A 12 8.027 11.419 -11.861 1.00 0.00 C ATOM 178 CG HIS A 12 7.172 10.547 -12.727 1.00 0.00 C ATOM 179 ND1 HIS A 12 6.697 9.322 -12.309 1.00 0.00 N ATOM 180 CD2 HIS A 12 6.708 10.721 -13.987 1.00 0.00 C ATOM 181 CE1 HIS A 12 5.976 8.780 -13.276 1.00 0.00 C ATOM 182 NE2 HIS A 12 5.968 9.609 -14.303 1.00 0.00 N ATOM 183 H HIS A 12 9.065 9.516 -10.430 1.00 0.00 H ATOM 184 HA HIS A 12 9.810 10.886 -12.910 1.00 0.00 H ATOM 185 1HB HIS A 12 7.645 11.367 -10.841 1.00 0.00 H ATOM 186 2HB HIS A 12 7.916 12.449 -12.199 1.00 0.00 H ATOM 187 HD1 HIS A 12 6.799 8.928 -11.395 1.00 0.00 H ATOM 188 HD2 HIS A 12 6.821 11.527 -14.713 1.00 0.00 H ATOM 189 HE1 HIS A 12 5.509 7.805 -13.140 1.00 0.00 H ATOM 190 N GLU A 13 10.575 12.102 -9.976 1.00 0.00 N ATOM 191 CA GLU A 13 11.433 13.070 -9.303 1.00 0.00 C ATOM 192 C GLU A 13 12.879 12.940 -9.764 1.00 0.00 C ATOM 193 O GLU A 13 13.577 13.938 -9.940 1.00 0.00 O ATOM 194 CB GLU A 13 11.352 12.889 -7.786 1.00 0.00 C ATOM 195 CG GLU A 13 10.037 13.343 -7.167 1.00 0.00 C ATOM 196 CD GLU A 13 9.960 13.070 -5.691 1.00 0.00 C ATOM 197 OE1 GLU A 13 10.857 12.448 -5.174 1.00 0.00 O ATOM 198 OE2 GLU A 13 9.003 13.483 -5.080 1.00 0.00 O ATOM 199 H GLU A 13 10.150 11.362 -9.435 1.00 0.00 H ATOM 200 HA GLU A 13 11.078 14.074 -9.545 1.00 0.00 H ATOM 201 1HB GLU A 13 11.494 11.838 -7.537 1.00 0.00 H ATOM 202 2HB GLU A 13 12.157 13.450 -7.309 1.00 0.00 H ATOM 203 1HG GLU A 13 9.920 14.414 -7.333 1.00 0.00 H ATOM 204 2HG GLU A 13 9.217 12.834 -7.670 1.00 0.00 H ATOM 205 N LEU A 14 13.323 11.703 -9.956 1.00 0.00 N ATOM 206 CA LEU A 14 14.669 11.440 -10.451 1.00 0.00 C ATOM 207 C LEU A 14 14.776 11.736 -11.942 1.00 0.00 C ATOM 208 O LEU A 14 15.799 12.231 -12.415 1.00 0.00 O ATOM 209 CB LEU A 14 15.056 9.981 -10.183 1.00 0.00 C ATOM 210 CG LEU A 14 15.182 9.586 -8.707 1.00 0.00 C ATOM 211 CD1 LEU A 14 15.281 8.070 -8.592 1.00 0.00 C ATOM 212 CD2 LEU A 14 16.405 10.260 -8.103 1.00 0.00 C ATOM 213 H LEU A 14 12.712 10.923 -9.755 1.00 0.00 H ATOM 214 HA LEU A 14 15.367 12.086 -9.916 1.00 0.00 H ATOM 215 1HB LEU A 14 14.307 9.334 -10.636 1.00 0.00 H ATOM 216 2HB LEU A 14 16.015 9.782 -10.663 1.00 0.00 H ATOM 217 HG LEU A 14 14.289 9.903 -8.167 1.00 0.00 H ATOM 218 1HD1 LEU A 14 15.370 7.790 -7.543 1.00 0.00 H ATOM 219 2HD1 LEU A 14 14.385 7.615 -9.014 1.00 0.00 H ATOM 220 3HD1 LEU A 14 16.157 7.721 -9.137 1.00 0.00 H ATOM 221 1HD2 LEU A 14 16.494 9.980 -7.053 1.00 0.00 H ATOM 222 2HD2 LEU A 14 17.299 9.942 -8.640 1.00 0.00 H ATOM 223 3HD2 LEU A 14 16.300 11.342 -8.182 1.00 0.00 H ATOM 224 N GLY A 15 13.713 11.429 -12.677 1.00 0.00 N ATOM 225 CA GLY A 15 13.671 11.694 -14.111 1.00 0.00 C ATOM 226 C GLY A 15 14.345 10.577 -14.897 1.00 0.00 C ATOM 227 O GLY A 15 14.759 10.772 -16.041 1.00 0.00 O ATOM 228 H GLY A 15 12.913 11.001 -12.233 1.00 0.00 H ATOM 229 1HA GLY A 15 12.634 11.795 -14.431 1.00 0.00 H ATOM 230 2HA GLY A 15 14.166 12.642 -14.320 1.00 0.00 H ATOM 231 N ARG A 16 14.453 9.406 -14.279 1.00 0.00 N ATOM 232 CA ARG A 16 15.092 8.260 -14.914 1.00 0.00 C ATOM 233 C ARG A 16 14.312 6.978 -14.648 1.00 0.00 C ATOM 234 O ARG A 16 13.503 6.912 -13.723 1.00 0.00 O ATOM 235 CB ARG A 16 16.519 8.097 -14.411 1.00 0.00 C ATOM 236 CG ARG A 16 16.640 7.713 -12.945 1.00 0.00 C ATOM 237 CD ARG A 16 18.059 7.656 -12.508 1.00 0.00 C ATOM 238 NE ARG A 16 18.180 7.299 -11.104 1.00 0.00 N ATOM 239 CZ ARG A 16 18.210 6.036 -10.635 1.00 0.00 C ATOM 240 NH1 ARG A 16 18.127 5.024 -11.469 1.00 0.00 N ATOM 241 NH2 ARG A 16 18.323 5.816 -9.337 1.00 0.00 N ATOM 242 H ARG A 16 14.083 9.308 -13.344 1.00 0.00 H ATOM 243 HA ARG A 16 15.123 8.433 -15.990 1.00 0.00 H ATOM 244 1HB ARG A 16 17.024 7.329 -14.996 1.00 0.00 H ATOM 245 2HB ARG A 16 17.064 9.029 -14.555 1.00 0.00 H ATOM 246 1HG ARG A 16 16.122 8.451 -12.332 1.00 0.00 H ATOM 247 2HG ARG A 16 16.193 6.731 -12.787 1.00 0.00 H ATOM 248 1HD ARG A 16 18.591 6.909 -13.097 1.00 0.00 H ATOM 249 2HD ARG A 16 18.524 8.630 -12.654 1.00 0.00 H ATOM 250 HE ARG A 16 18.246 8.052 -10.432 1.00 0.00 H ATOM 251 1HH1 ARG A 16 18.041 5.192 -12.462 1.00 0.00 H ATOM 252 2HH1 ARG A 16 18.150 4.077 -11.118 1.00 0.00 H ATOM 253 1HH2 ARG A 16 18.387 6.595 -8.696 1.00 0.00 H ATOM 254 2HH2 ARG A 16 18.346 4.870 -8.986 1.00 0.00 H ATOM 255 N THR A 17 14.561 5.960 -15.465 1.00 0.00 N ATOM 256 CA THR A 17 13.993 4.637 -15.236 1.00 0.00 C ATOM 257 C THR A 17 14.560 4.005 -13.971 1.00 0.00 C ATOM 258 O THR A 17 15.774 3.988 -13.765 1.00 0.00 O ATOM 259 CB THR A 17 14.250 3.708 -16.437 1.00 0.00 C ATOM 260 OG1 THR A 17 13.700 4.295 -17.624 1.00 0.00 O ATOM 261 CG2 THR A 17 13.610 2.348 -16.206 1.00 0.00 C ATOM 262 H THR A 17 15.160 6.107 -16.265 1.00 0.00 H ATOM 263 HA THR A 17 12.913 4.739 -15.122 1.00 0.00 H ATOM 264 HB THR A 17 15.323 3.580 -16.575 1.00 0.00 H ATOM 265 HG1 THR A 17 14.066 3.857 -18.396 1.00 0.00 H ATOM 266 1HG2 THR A 17 13.802 1.704 -17.064 1.00 0.00 H ATOM 267 2HG2 THR A 17 14.034 1.894 -15.310 1.00 0.00 H ATOM 268 3HG2 THR A 17 12.535 2.468 -16.076 1.00 0.00 H ATOM 269 N ILE A 18 13.675 3.489 -13.126 1.00 0.00 N ATOM 270 CA ILE A 18 14.085 2.847 -11.883 1.00 0.00 C ATOM 271 C ILE A 18 13.483 1.454 -11.757 1.00 0.00 C ATOM 272 O ILE A 18 12.470 1.146 -12.385 1.00 0.00 O ATOM 273 CB ILE A 18 13.677 3.695 -10.665 1.00 0.00 C ATOM 274 CG1 ILE A 18 12.153 3.824 -10.591 1.00 0.00 C ATOM 275 CG2 ILE A 18 14.328 5.068 -10.730 1.00 0.00 C ATOM 276 CD1 ILE A 18 11.655 4.461 -9.314 1.00 0.00 C ATOM 277 H ILE A 18 12.691 3.542 -13.350 1.00 0.00 H ATOM 278 HA ILE A 18 15.173 2.759 -11.881 1.00 0.00 H ATOM 279 HB ILE A 18 13.995 3.195 -9.750 1.00 0.00 H ATOM 280 1HG1 ILE A 18 11.798 4.420 -11.431 1.00 0.00 H ATOM 281 2HG1 ILE A 18 11.699 2.837 -10.678 1.00 0.00 H ATOM 282 1HG2 ILE A 18 14.028 5.654 -9.862 1.00 0.00 H ATOM 283 2HG2 ILE A 18 15.412 4.956 -10.735 1.00 0.00 H ATOM 284 3HG2 ILE A 18 14.011 5.578 -11.640 1.00 0.00 H ATOM 285 1HD1 ILE A 18 10.567 4.518 -9.336 1.00 0.00 H ATOM 286 2HD1 ILE A 18 11.970 3.860 -8.460 1.00 0.00 H ATOM 287 3HD1 ILE A 18 12.068 5.465 -9.223 1.00 0.00 H ATOM 288 N HIS A 19 14.112 0.614 -10.941 1.00 0.00 N ATOM 289 CA HIS A 19 13.640 -0.750 -10.733 1.00 0.00 C ATOM 290 C HIS A 19 13.712 -1.138 -9.261 1.00 0.00 C ATOM 291 O HIS A 19 14.795 -1.356 -8.719 1.00 0.00 O ATOM 292 CB HIS A 19 14.459 -1.739 -11.569 1.00 0.00 C ATOM 293 CG HIS A 19 13.968 -3.150 -11.482 1.00 0.00 C ATOM 294 ND1 HIS A 19 12.870 -3.600 -12.186 1.00 0.00 N ATOM 295 CD2 HIS A 19 14.423 -4.211 -10.776 1.00 0.00 C ATOM 296 CE1 HIS A 19 12.672 -4.879 -11.915 1.00 0.00 C ATOM 297 NE2 HIS A 19 13.600 -5.273 -11.062 1.00 0.00 N ATOM 298 H HIS A 19 14.939 0.929 -10.453 1.00 0.00 H ATOM 299 HA HIS A 19 12.602 -0.810 -11.060 1.00 0.00 H ATOM 300 1HB HIS A 19 14.439 -1.434 -12.616 1.00 0.00 H ATOM 301 2HB HIS A 19 15.498 -1.718 -11.242 1.00 0.00 H ATOM 302 HD1 HIS A 19 12.347 -3.081 -12.862 1.00 0.00 H ATOM 303 HD2 HIS A 19 15.257 -4.338 -10.084 1.00 0.00 H ATOM 304 HE1 HIS A 19 11.848 -5.423 -12.376 1.00 0.00 H ATOM 305 N LEU A 20 12.551 -1.224 -8.620 1.00 0.00 N ATOM 306 CA LEU A 20 12.481 -1.565 -7.204 1.00 0.00 C ATOM 307 C LEU A 20 11.333 -2.525 -6.925 1.00 0.00 C ATOM 308 O LEU A 20 10.234 -2.365 -7.458 1.00 0.00 O ATOM 309 CB LEU A 20 12.311 -0.295 -6.361 1.00 0.00 C ATOM 310 CG LEU A 20 13.547 0.608 -6.261 1.00 0.00 C ATOM 311 CD1 LEU A 20 13.438 1.733 -7.281 1.00 0.00 C ATOM 312 CD2 LEU A 20 13.659 1.161 -4.848 1.00 0.00 C ATOM 313 H LEU A 20 11.695 -1.048 -9.127 1.00 0.00 H ATOM 314 HA LEU A 20 13.417 -2.047 -6.919 1.00 0.00 H ATOM 315 1HB LEU A 20 11.501 0.298 -6.785 1.00 0.00 H ATOM 316 2HB LEU A 20 12.029 -0.585 -5.349 1.00 0.00 H ATOM 317 HG LEU A 20 14.440 0.030 -6.496 1.00 0.00 H ATOM 318 1HD1 LEU A 20 14.317 2.375 -7.210 1.00 0.00 H ATOM 319 2HD1 LEU A 20 13.379 1.311 -8.284 1.00 0.00 H ATOM 320 3HD1 LEU A 20 12.543 2.321 -7.081 1.00 0.00 H ATOM 321 1HD2 LEU A 20 14.538 1.802 -4.776 1.00 0.00 H ATOM 322 2HD2 LEU A 20 12.766 1.741 -4.612 1.00 0.00 H ATOM 323 3HD2 LEU A 20 13.753 0.336 -4.141 1.00 0.00 H ATOM 324 N TRP A 21 11.592 -3.522 -6.087 1.00 0.00 N ATOM 325 CA TRP A 21 10.590 -4.531 -5.762 1.00 0.00 C ATOM 326 C TRP A 21 10.077 -5.222 -7.019 1.00 0.00 C ATOM 327 O TRP A 21 8.898 -5.560 -7.115 1.00 0.00 O ATOM 328 CB TRP A 21 9.418 -3.896 -5.010 1.00 0.00 C ATOM 329 CG TRP A 21 9.813 -3.264 -3.710 1.00 0.00 C ATOM 330 CD1 TRP A 21 10.150 -3.910 -2.559 1.00 0.00 C ATOM 331 CD2 TRP A 21 9.916 -1.849 -3.421 1.00 0.00 C ATOM 332 NE1 TRP A 21 10.452 -3.000 -1.576 1.00 0.00 N ATOM 333 CE2 TRP A 21 10.316 -1.733 -2.087 1.00 0.00 C ATOM 334 CE3 TRP A 21 9.704 -0.688 -4.175 1.00 0.00 C ATOM 335 CZ2 TRP A 21 10.509 -0.501 -1.483 1.00 0.00 C ATOM 336 CZ3 TRP A 21 9.899 0.548 -3.570 1.00 0.00 C ATOM 337 CH2 TRP A 21 10.291 0.638 -2.258 1.00 0.00 C ATOM 338 H TRP A 21 12.507 -3.584 -5.664 1.00 0.00 H ATOM 339 HA TRP A 21 11.058 -5.296 -5.140 1.00 0.00 H ATOM 340 1HB TRP A 21 8.955 -3.133 -5.636 1.00 0.00 H ATOM 341 2HB TRP A 21 8.663 -4.655 -4.807 1.00 0.00 H ATOM 342 HD1 TRP A 21 10.175 -4.991 -2.436 1.00 0.00 H ATOM 343 HE1 TRP A 21 10.730 -3.224 -0.632 1.00 0.00 H ATOM 344 HE3 TRP A 21 9.395 -0.754 -5.218 1.00 0.00 H ATOM 345 HZ2 TRP A 21 10.820 -0.408 -0.442 1.00 0.00 H ATOM 346 HZ3 TRP A 21 9.731 1.446 -4.164 1.00 0.00 H ATOM 347 HH2 TRP A 21 10.435 1.623 -1.815 1.00 0.00 H ATOM 348 N LEU A 22 10.970 -5.430 -7.980 1.00 0.00 N ATOM 349 CA LEU A 22 10.613 -6.098 -9.226 1.00 0.00 C ATOM 350 C LEU A 22 9.588 -5.288 -10.011 1.00 0.00 C ATOM 351 O LEU A 22 8.820 -5.839 -10.799 1.00 0.00 O ATOM 352 CB LEU A 22 10.055 -7.497 -8.936 1.00 0.00 C ATOM 353 CG LEU A 22 10.937 -8.396 -8.060 1.00 0.00 C ATOM 354 CD1 LEU A 22 10.223 -9.717 -7.808 1.00 0.00 C ATOM 355 CD2 LEU A 22 12.276 -8.620 -8.747 1.00 0.00 C ATOM 356 H LEU A 22 11.921 -5.117 -7.844 1.00 0.00 H ATOM 357 HA LEU A 22 11.512 -6.196 -9.836 1.00 0.00 H ATOM 358 1HB LEU A 22 9.093 -7.391 -8.438 1.00 0.00 H ATOM 359 2HB LEU A 22 9.896 -8.011 -9.884 1.00 0.00 H ATOM 360 HG LEU A 22 11.101 -7.916 -7.095 1.00 0.00 H ATOM 361 1HD1 LEU A 22 10.850 -10.356 -7.185 1.00 0.00 H ATOM 362 2HD1 LEU A 22 9.278 -9.529 -7.298 1.00 0.00 H ATOM 363 3HD1 LEU A 22 10.031 -10.214 -8.758 1.00 0.00 H ATOM 364 1HD2 LEU A 22 12.903 -9.259 -8.124 1.00 0.00 H ATOM 365 2HD2 LEU A 22 12.113 -9.101 -9.712 1.00 0.00 H ATOM 366 3HD2 LEU A 22 12.772 -7.661 -8.899 1.00 0.00 H ATOM 367 N VAL A 23 9.581 -3.979 -9.788 1.00 0.00 N ATOM 368 CA VAL A 23 8.715 -3.078 -10.542 1.00 0.00 C ATOM 369 C VAL A 23 9.529 -2.045 -11.309 1.00 0.00 C ATOM 370 O VAL A 23 10.312 -1.298 -10.722 1.00 0.00 O ATOM 371 CB VAL A 23 7.739 -2.357 -9.593 1.00 0.00 C ATOM 372 CG1 VAL A 23 6.840 -1.410 -10.374 1.00 0.00 C ATOM 373 CG2 VAL A 23 6.911 -3.378 -8.828 1.00 0.00 C ATOM 374 H VAL A 23 10.191 -3.596 -9.080 1.00 0.00 H ATOM 375 HA VAL A 23 8.139 -3.669 -11.254 1.00 0.00 H ATOM 376 HB VAL A 23 8.311 -1.751 -8.890 1.00 0.00 H ATOM 377 1HG1 VAL A 23 6.157 -0.908 -9.688 1.00 0.00 H ATOM 378 2HG1 VAL A 23 7.452 -0.666 -10.885 1.00 0.00 H ATOM 379 3HG1 VAL A 23 6.266 -1.975 -11.108 1.00 0.00 H ATOM 380 1HG2 VAL A 23 6.224 -2.861 -8.159 1.00 0.00 H ATOM 381 2HG2 VAL A 23 6.344 -3.987 -9.531 1.00 0.00 H ATOM 382 3HG2 VAL A 23 7.573 -4.018 -8.244 1.00 0.00 H ATOM 383 N THR A 24 9.339 -2.005 -12.623 1.00 0.00 N ATOM 384 CA THR A 24 10.052 -1.059 -13.473 1.00 0.00 C ATOM 385 C THR A 24 9.167 0.122 -13.847 1.00 0.00 C ATOM 386 O THR A 24 8.043 -0.056 -14.316 1.00 0.00 O ATOM 387 CB THR A 24 10.569 -1.744 -14.751 1.00 0.00 C ATOM 388 OG1 THR A 24 11.481 -2.793 -14.400 1.00 0.00 O ATOM 389 CG2 THR A 24 11.279 -0.739 -15.645 1.00 0.00 C ATOM 390 H THR A 24 8.683 -2.647 -13.044 1.00 0.00 H ATOM 391 HA THR A 24 10.919 -0.686 -12.924 1.00 0.00 H ATOM 392 HB THR A 24 9.731 -2.178 -15.296 1.00 0.00 H ATOM 393 HG1 THR A 24 11.607 -3.373 -15.154 1.00 0.00 H ATOM 394 1HG2 THR A 24 11.637 -1.241 -16.544 1.00 0.00 H ATOM 395 2HG2 THR A 24 10.585 0.054 -15.924 1.00 0.00 H ATOM 396 3HG2 THR A 24 12.124 -0.309 -15.109 1.00 0.00 H ATOM 397 N LEU A 25 9.680 1.330 -13.636 1.00 0.00 N ATOM 398 CA LEU A 25 8.905 2.542 -13.874 1.00 0.00 C ATOM 399 C LEU A 25 9.546 3.402 -14.957 1.00 0.00 C ATOM 400 O LEU A 25 10.720 3.760 -14.864 1.00 0.00 O ATOM 401 CB LEU A 25 8.778 3.352 -12.577 1.00 0.00 C ATOM 402 CG LEU A 25 7.787 2.801 -11.544 1.00 0.00 C ATOM 403 CD1 LEU A 25 8.487 1.771 -10.667 1.00 0.00 C ATOM 404 CD2 LEU A 25 7.236 3.947 -10.708 1.00 0.00 C ATOM 405 H LEU A 25 10.630 1.410 -13.304 1.00 0.00 H ATOM 406 HA LEU A 25 7.906 2.257 -14.200 1.00 0.00 H ATOM 407 1HB LEU A 25 9.756 3.404 -12.103 1.00 0.00 H ATOM 408 2HB LEU A 25 8.465 4.365 -12.829 1.00 0.00 H ATOM 409 HG LEU A 25 6.967 2.299 -12.057 1.00 0.00 H ATOM 410 1HD1 LEU A 25 7.783 1.380 -9.933 1.00 0.00 H ATOM 411 2HD1 LEU A 25 8.854 0.954 -11.288 1.00 0.00 H ATOM 412 3HD1 LEU A 25 9.324 2.241 -10.152 1.00 0.00 H ATOM 413 1HD2 LEU A 25 6.531 3.555 -9.974 1.00 0.00 H ATOM 414 2HD2 LEU A 25 8.055 4.448 -10.193 1.00 0.00 H ATOM 415 3HD2 LEU A 25 6.726 4.658 -11.358 1.00 0.00 H ATOM 416 N ILE A 26 8.768 3.729 -15.982 1.00 0.00 N ATOM 417 CA ILE A 26 9.221 4.640 -17.027 1.00 0.00 C ATOM 418 C ILE A 26 8.583 6.014 -16.875 1.00 0.00 C ATOM 419 O ILE A 26 7.358 6.141 -16.849 1.00 0.00 O ATOM 420 CB ILE A 26 8.900 4.076 -18.424 1.00 0.00 C ATOM 421 CG1 ILE A 26 9.615 2.740 -18.638 1.00 0.00 C ATOM 422 CG2 ILE A 26 9.294 5.073 -19.503 1.00 0.00 C ATOM 423 CD1 ILE A 26 9.117 1.965 -19.836 1.00 0.00 C ATOM 424 H ILE A 26 7.839 3.338 -16.039 1.00 0.00 H ATOM 425 HA ILE A 26 10.304 4.746 -16.948 1.00 0.00 H ATOM 426 HB ILE A 26 7.831 3.877 -18.499 1.00 0.00 H ATOM 427 1HG1 ILE A 26 10.683 2.915 -18.765 1.00 0.00 H ATOM 428 2HG1 ILE A 26 9.490 2.114 -17.753 1.00 0.00 H ATOM 429 1HG2 ILE A 26 9.061 4.659 -20.483 1.00 0.00 H ATOM 430 2HG2 ILE A 26 8.741 6.000 -19.360 1.00 0.00 H ATOM 431 3HG2 ILE A 26 10.363 5.275 -19.439 1.00 0.00 H ATOM 432 1HD1 ILE A 26 9.671 1.030 -19.922 1.00 0.00 H ATOM 433 2HD1 ILE A 26 8.055 1.748 -19.713 1.00 0.00 H ATOM 434 3HD1 ILE A 26 9.264 2.557 -20.739 1.00 0.00 H ATOM 435 N VAL A 27 9.420 7.041 -16.775 1.00 0.00 N ATOM 436 CA VAL A 27 8.949 8.386 -16.464 1.00 0.00 C ATOM 437 C VAL A 27 8.098 8.947 -17.597 1.00 0.00 C ATOM 438 O VAL A 27 8.524 8.977 -18.751 1.00 0.00 O ATOM 439 CB VAL A 27 10.143 9.324 -16.210 1.00 0.00 C ATOM 440 CG1 VAL A 27 9.664 10.755 -16.013 1.00 0.00 C ATOM 441 CG2 VAL A 27 10.927 8.847 -14.997 1.00 0.00 C ATOM 442 H VAL A 27 10.407 6.887 -16.919 1.00 0.00 H ATOM 443 HA VAL A 27 8.341 8.339 -15.560 1.00 0.00 H ATOM 444 HB VAL A 27 10.791 9.320 -17.087 1.00 0.00 H ATOM 445 1HG1 VAL A 27 10.521 11.405 -15.835 1.00 0.00 H ATOM 446 2HG1 VAL A 27 9.137 11.088 -16.907 1.00 0.00 H ATOM 447 3HG1 VAL A 27 8.991 10.799 -15.157 1.00 0.00 H ATOM 448 1HG2 VAL A 27 11.771 9.515 -14.823 1.00 0.00 H ATOM 449 2HG2 VAL A 27 10.278 8.846 -14.121 1.00 0.00 H ATOM 450 3HG2 VAL A 27 11.296 7.837 -15.176 1.00 0.00 H ATOM 451 N GLY A 28 6.892 9.391 -17.259 1.00 0.00 N ATOM 452 CA GLY A 28 5.986 9.970 -18.243 1.00 0.00 C ATOM 453 C GLY A 28 5.050 8.916 -18.818 1.00 0.00 C ATOM 454 O GLY A 28 4.112 9.236 -19.548 1.00 0.00 O ATOM 455 H GLY A 28 6.595 9.327 -16.295 1.00 0.00 H ATOM 456 1HA GLY A 28 5.402 10.765 -17.777 1.00 0.00 H ATOM 457 2HA GLY A 28 6.564 10.426 -19.046 1.00 0.00 H ATOM 458 N ALA A 29 5.311 7.656 -18.485 1.00 0.00 N ATOM 459 CA ALA A 29 4.505 6.549 -18.987 1.00 0.00 C ATOM 460 C ALA A 29 3.261 6.341 -18.133 1.00 0.00 C ATOM 461 O ALA A 29 3.237 6.703 -16.957 1.00 0.00 O ATOM 462 CB ALA A 29 5.332 5.272 -19.035 1.00 0.00 C ATOM 463 H ALA A 29 6.086 7.460 -17.869 1.00 0.00 H ATOM 464 HA ALA A 29 4.195 6.780 -20.006 1.00 0.00 H ATOM 465 1HB ALA A 29 4.717 4.455 -19.412 1.00 0.00 H ATOM 466 2HB ALA A 29 6.187 5.417 -19.696 1.00 0.00 H ATOM 467 3HB ALA A 29 5.684 5.029 -18.034 1.00 0.00 H ATOM 468 N GLU A 30 2.229 5.758 -18.733 1.00 0.00 N ATOM 469 CA GLU A 30 1.057 5.319 -17.985 1.00 0.00 C ATOM 470 C GLU A 30 1.342 4.036 -17.215 1.00 0.00 C ATOM 471 O GLU A 30 0.849 3.845 -16.103 1.00 0.00 O ATOM 472 CB GLU A 30 -0.129 5.106 -18.928 1.00 0.00 C ATOM 473 CG GLU A 30 -0.674 6.383 -19.552 1.00 0.00 C ATOM 474 CD GLU A 30 -1.803 6.129 -20.511 1.00 0.00 C ATOM 475 OE1 GLU A 30 -2.022 4.993 -20.855 1.00 0.00 O ATOM 476 OE2 GLU A 30 -2.449 7.074 -20.901 1.00 0.00 O ATOM 477 H GLU A 30 2.258 5.613 -19.731 1.00 0.00 H ATOM 478 HA GLU A 30 0.788 6.101 -17.274 1.00 0.00 H ATOM 479 1HB GLU A 30 0.166 4.437 -19.738 1.00 0.00 H ATOM 480 2HB GLU A 30 -0.943 4.624 -18.386 1.00 0.00 H ATOM 481 1HG GLU A 30 -1.027 7.040 -18.759 1.00 0.00 H ATOM 482 2HG GLU A 30 0.134 6.892 -20.076 1.00 0.00 H ATOM 483 N GLU A 31 2.141 3.158 -17.813 1.00 0.00 N ATOM 484 CA GLU A 31 2.452 1.869 -17.207 1.00 0.00 C ATOM 485 C GLU A 31 3.142 2.046 -15.861 1.00 0.00 C ATOM 486 O GLU A 31 3.004 1.211 -14.967 1.00 0.00 O ATOM 487 CB GLU A 31 3.339 1.042 -18.141 1.00 0.00 C ATOM 488 CG GLU A 31 2.657 0.603 -19.429 1.00 0.00 C ATOM 489 CD GLU A 31 2.666 1.671 -20.488 1.00 0.00 C ATOM 490 OE1 GLU A 31 3.189 2.729 -20.234 1.00 0.00 O ATOM 491 OE2 GLU A 31 2.149 1.427 -21.553 1.00 0.00 O ATOM 492 H GLU A 31 2.542 3.390 -18.710 1.00 0.00 H ATOM 493 HA GLU A 31 1.520 1.325 -17.054 1.00 0.00 H ATOM 494 1HB GLU A 31 4.223 1.619 -18.410 1.00 0.00 H ATOM 495 2HB GLU A 31 3.678 0.146 -17.621 1.00 0.00 H ATOM 496 1HG GLU A 31 3.167 -0.279 -19.815 1.00 0.00 H ATOM 497 2HG GLU A 31 1.628 0.327 -19.208 1.00 0.00 H ATOM 498 N ALA A 32 3.887 3.137 -15.722 1.00 0.00 N ATOM 499 CA ALA A 32 4.630 3.408 -14.497 1.00 0.00 C ATOM 500 C ALA A 32 3.700 3.463 -13.291 1.00 0.00 C ATOM 501 O ALA A 32 4.112 3.180 -12.166 1.00 0.00 O ATOM 502 CB ALA A 32 5.407 4.710 -14.625 1.00 0.00 C ATOM 503 H ALA A 32 3.941 3.797 -16.486 1.00 0.00 H ATOM 504 HA ALA A 32 5.353 2.605 -14.346 1.00 0.00 H ATOM 505 1HB ALA A 32 5.956 4.899 -13.702 1.00 0.00 H ATOM 506 2HB ALA A 32 6.109 4.635 -15.456 1.00 0.00 H ATOM 507 3HB ALA A 32 4.715 5.530 -14.809 1.00 0.00 H ATOM 508 N LYS A 33 2.446 3.829 -13.533 1.00 0.00 N ATOM 509 CA LYS A 33 1.461 3.937 -12.465 1.00 0.00 C ATOM 510 C LYS A 33 0.739 2.614 -12.244 1.00 0.00 C ATOM 511 O LYS A 33 0.456 2.231 -11.109 1.00 0.00 O ATOM 512 CB LYS A 33 0.450 5.042 -12.779 1.00 0.00 C ATOM 513 CG LYS A 33 -0.596 5.264 -11.694 1.00 0.00 C ATOM 514 CD LYS A 33 -1.442 6.495 -11.986 1.00 0.00 C ATOM 515 CE LYS A 33 -2.472 6.731 -10.892 1.00 0.00 C ATOM 516 NZ LYS A 33 -3.321 7.921 -11.175 1.00 0.00 N ATOM 517 H LYS A 33 2.169 4.037 -14.482 1.00 0.00 H ATOM 518 HA LYS A 33 1.976 4.211 -11.544 1.00 0.00 H ATOM 519 1HB LYS A 33 0.977 5.984 -12.934 1.00 0.00 H ATOM 520 2HB LYS A 33 -0.074 4.803 -13.704 1.00 0.00 H ATOM 521 1HG LYS A 33 -1.247 4.392 -11.632 1.00 0.00 H ATOM 522 2HG LYS A 33 -0.100 5.395 -10.733 1.00 0.00 H ATOM 523 1HD LYS A 33 -0.796 7.371 -12.062 1.00 0.00 H ATOM 524 2HD LYS A 33 -1.959 6.363 -12.937 1.00 0.00 H ATOM 525 1HE LYS A 33 -3.114 5.856 -10.802 1.00 0.00 H ATOM 526 2HE LYS A 33 -1.964 6.882 -9.940 1.00 0.00 H ATOM 527 1HZ LYS A 33 -3.989 8.043 -10.427 1.00 0.00 H ATOM 528 2HZ LYS A 33 -2.737 8.743 -11.242 1.00 0.00 H ATOM 529 3HZ LYS A 33 -3.812 7.785 -12.047 1.00 0.00 H ATOM 530 N LYS A 34 0.443 1.918 -13.338 1.00 0.00 N ATOM 531 CA LYS A 34 -0.301 0.666 -13.270 1.00 0.00 C ATOM 532 C LYS A 34 0.474 -0.394 -12.500 1.00 0.00 C ATOM 533 O LYS A 34 -0.105 -1.172 -11.740 1.00 0.00 O ATOM 534 CB LYS A 34 -0.628 0.161 -14.676 1.00 0.00 C ATOM 535 CG LYS A 34 -1.674 0.986 -15.413 1.00 0.00 C ATOM 536 CD LYS A 34 -1.883 0.475 -16.831 1.00 0.00 C ATOM 537 CE LYS A 34 -2.978 1.254 -17.546 1.00 0.00 C ATOM 538 NZ LYS A 34 -3.115 0.842 -18.969 1.00 0.00 N ATOM 539 H LYS A 34 0.741 2.266 -14.237 1.00 0.00 H ATOM 540 HA LYS A 34 -1.245 0.852 -12.756 1.00 0.00 H ATOM 541 1HB LYS A 34 0.279 0.154 -15.281 1.00 0.00 H ATOM 542 2HB LYS A 34 -0.992 -0.865 -14.619 1.00 0.00 H ATOM 543 1HG LYS A 34 -2.622 0.938 -14.875 1.00 0.00 H ATOM 544 2HG LYS A 34 -1.354 2.027 -15.455 1.00 0.00 H ATOM 545 1HD LYS A 34 -0.954 0.571 -17.393 1.00 0.00 H ATOM 546 2HD LYS A 34 -2.162 -0.578 -16.800 1.00 0.00 H ATOM 547 1HE LYS A 34 -3.928 1.093 -17.040 1.00 0.00 H ATOM 548 2HE LYS A 34 -2.748 2.319 -17.510 1.00 0.00 H ATOM 549 1HZ LYS A 34 -3.849 1.381 -19.407 1.00 0.00 H ATOM 550 2HZ LYS A 34 -2.244 1.005 -19.453 1.00 0.00 H ATOM 551 3HZ LYS A 34 -3.347 -0.140 -19.014 1.00 0.00 H ATOM 552 N VAL A 35 1.787 -0.422 -12.700 1.00 0.00 N ATOM 553 CA VAL A 35 2.640 -1.414 -12.056 1.00 0.00 C ATOM 554 C VAL A 35 2.810 -1.113 -10.572 1.00 0.00 C ATOM 555 O VAL A 35 3.076 -2.011 -9.773 1.00 0.00 O ATOM 556 CB VAL A 35 4.024 -1.448 -12.732 1.00 0.00 C ATOM 557 CG1 VAL A 35 3.887 -1.802 -14.206 1.00 0.00 C ATOM 558 CG2 VAL A 35 4.717 -0.105 -12.561 1.00 0.00 C ATOM 559 H VAL A 35 2.206 0.261 -13.315 1.00 0.00 H ATOM 560 HA VAL A 35 2.173 -2.394 -12.162 1.00 0.00 H ATOM 561 HB VAL A 35 4.625 -2.230 -12.268 1.00 0.00 H ATOM 562 1HG1 VAL A 35 4.875 -1.822 -14.668 1.00 0.00 H ATOM 563 2HG1 VAL A 35 3.422 -2.782 -14.303 1.00 0.00 H ATOM 564 3HG1 VAL A 35 3.270 -1.055 -14.704 1.00 0.00 H ATOM 565 1HG2 VAL A 35 5.695 -0.137 -13.041 1.00 0.00 H ATOM 566 2HG2 VAL A 35 4.112 0.677 -13.020 1.00 0.00 H ATOM 567 3HG2 VAL A 35 4.841 0.108 -11.500 1.00 0.00 H ATOM 568 N VAL A 36 2.657 0.156 -10.210 1.00 0.00 N ATOM 569 CA VAL A 36 2.720 0.566 -8.812 1.00 0.00 C ATOM 570 C VAL A 36 1.451 0.177 -8.064 1.00 0.00 C ATOM 571 O VAL A 36 1.506 -0.273 -6.920 1.00 0.00 O ATOM 572 CB VAL A 36 2.924 2.090 -8.712 1.00 0.00 C ATOM 573 CG1 VAL A 36 2.690 2.565 -7.285 1.00 0.00 C ATOM 574 CG2 VAL A 36 4.323 2.457 -9.180 1.00 0.00 C ATOM 575 H VAL A 36 2.490 0.854 -10.920 1.00 0.00 H ATOM 576 HA VAL A 36 3.569 0.069 -8.343 1.00 0.00 H ATOM 577 HB VAL A 36 2.186 2.588 -9.341 1.00 0.00 H ATOM 578 1HG1 VAL A 36 2.838 3.644 -7.233 1.00 0.00 H ATOM 579 2HG1 VAL A 36 1.671 2.324 -6.984 1.00 0.00 H ATOM 580 3HG1 VAL A 36 3.394 2.070 -6.617 1.00 0.00 H ATOM 581 1HG2 VAL A 36 4.460 3.535 -9.107 1.00 0.00 H ATOM 582 2HG2 VAL A 36 5.060 1.954 -8.554 1.00 0.00 H ATOM 583 3HG2 VAL A 36 4.454 2.144 -10.216 1.00 0.00 H ATOM 584 N GLU A 37 0.307 0.351 -8.719 1.00 0.00 N ATOM 585 CA GLU A 37 -0.971 -0.055 -8.148 1.00 0.00 C ATOM 586 C GLU A 37 -0.969 -1.535 -7.786 1.00 0.00 C ATOM 587 O GLU A 37 -1.500 -1.930 -6.749 1.00 0.00 O ATOM 588 CB GLU A 37 -2.109 0.240 -9.128 1.00 0.00 C ATOM 589 CG GLU A 37 -2.441 1.717 -9.281 1.00 0.00 C ATOM 590 CD GLU A 37 -3.551 1.969 -10.263 1.00 0.00 C ATOM 591 OE1 GLU A 37 -3.968 1.039 -10.910 1.00 0.00 O ATOM 592 OE2 GLU A 37 -3.983 3.093 -10.365 1.00 0.00 O ATOM 593 H GLU A 37 0.325 0.773 -9.636 1.00 0.00 H ATOM 594 HA GLU A 37 -1.146 0.527 -7.242 1.00 0.00 H ATOM 595 1HB GLU A 37 -1.851 -0.149 -10.113 1.00 0.00 H ATOM 596 2HB GLU A 37 -3.013 -0.274 -8.800 1.00 0.00 H ATOM 597 1HG GLU A 37 -2.733 2.116 -8.310 1.00 0.00 H ATOM 598 2HG GLU A 37 -1.547 2.247 -9.607 1.00 0.00 H ATOM 599 N LYS A 38 -0.370 -2.348 -8.649 1.00 0.00 N ATOM 600 CA LYS A 38 -0.192 -3.768 -8.366 1.00 0.00 C ATOM 601 C LYS A 38 0.668 -3.979 -7.127 1.00 0.00 C ATOM 602 O LYS A 38 0.317 -4.758 -6.241 1.00 0.00 O ATOM 603 CB LYS A 38 0.434 -4.479 -9.567 1.00 0.00 C ATOM 604 CG LYS A 38 0.615 -5.980 -9.385 1.00 0.00 C ATOM 605 CD LYS A 38 1.169 -6.627 -10.646 1.00 0.00 C ATOM 606 CE LYS A 38 1.392 -8.119 -10.452 1.00 0.00 C ATOM 607 NZ LYS A 38 1.916 -8.769 -11.684 1.00 0.00 N ATOM 608 H LYS A 38 -0.028 -1.974 -9.522 1.00 0.00 H ATOM 609 HA LYS A 38 -1.173 -4.211 -8.191 1.00 0.00 H ATOM 610 1HB LYS A 38 -0.188 -4.321 -10.448 1.00 0.00 H ATOM 611 2HB LYS A 38 1.413 -4.047 -9.776 1.00 0.00 H ATOM 612 1HG LYS A 38 1.303 -6.166 -8.559 1.00 0.00 H ATOM 613 2HG LYS A 38 -0.345 -6.436 -9.145 1.00 0.00 H ATOM 614 1HD LYS A 38 0.469 -6.476 -11.470 1.00 0.00 H ATOM 615 2HD LYS A 38 2.118 -6.159 -10.909 1.00 0.00 H ATOM 616 1HE LYS A 38 2.102 -8.278 -9.641 1.00 0.00 H ATOM 617 2HE LYS A 38 0.450 -8.595 -10.178 1.00 0.00 H ATOM 618 1HZ LYS A 38 2.050 -9.756 -11.514 1.00 0.00 H ATOM 619 2HZ LYS A 38 1.256 -8.644 -12.438 1.00 0.00 H ATOM 620 3HZ LYS A 38 2.799 -8.349 -11.936 1.00 0.00 H ATOM 621 N LEU A 39 1.797 -3.280 -7.070 1.00 0.00 N ATOM 622 CA LEU A 39 2.686 -3.353 -5.916 1.00 0.00 C ATOM 623 C LEU A 39 1.969 -2.927 -4.642 1.00 0.00 C ATOM 624 O LEU A 39 2.163 -3.521 -3.580 1.00 0.00 O ATOM 625 CB LEU A 39 3.917 -2.466 -6.138 1.00 0.00 C ATOM 626 CG LEU A 39 4.954 -2.471 -5.007 1.00 0.00 C ATOM 627 CD1 LEU A 39 5.527 -3.873 -4.851 1.00 0.00 C ATOM 628 CD2 LEU A 39 6.050 -1.463 -5.319 1.00 0.00 C ATOM 629 H LEU A 39 2.046 -2.684 -7.846 1.00 0.00 H ATOM 630 HA LEU A 39 3.020 -4.385 -5.801 1.00 0.00 H ATOM 631 1HB LEU A 39 4.418 -2.789 -7.049 1.00 0.00 H ATOM 632 2HB LEU A 39 3.584 -1.437 -6.277 1.00 0.00 H ATOM 633 HG LEU A 39 4.470 -2.202 -4.068 1.00 0.00 H ATOM 634 1HD1 LEU A 39 6.264 -3.877 -4.047 1.00 0.00 H ATOM 635 2HD1 LEU A 39 4.724 -4.570 -4.609 1.00 0.00 H ATOM 636 3HD1 LEU A 39 6.005 -4.177 -5.781 1.00 0.00 H ATOM 637 1HD2 LEU A 39 6.787 -1.467 -4.515 1.00 0.00 H ATOM 638 2HD2 LEU A 39 6.536 -1.732 -6.257 1.00 0.00 H ATOM 639 3HD2 LEU A 39 5.615 -0.468 -5.408 1.00 0.00 H ATOM 640 N ALA A 40 1.140 -1.894 -4.751 1.00 0.00 N ATOM 641 CA ALA A 40 0.414 -1.369 -3.601 1.00 0.00 C ATOM 642 C ALA A 40 -0.535 -2.412 -3.025 1.00 0.00 C ATOM 643 O ALA A 40 -0.738 -2.476 -1.813 1.00 0.00 O ATOM 644 CB ALA A 40 -0.353 -0.112 -3.987 1.00 0.00 C ATOM 645 H ALA A 40 1.009 -1.463 -5.655 1.00 0.00 H ATOM 646 HA ALA A 40 1.138 -1.092 -2.833 1.00 0.00 H ATOM 647 1HB ALA A 40 -0.890 0.268 -3.118 1.00 0.00 H ATOM 648 2HB ALA A 40 0.346 0.646 -4.342 1.00 0.00 H ATOM 649 3HB ALA A 40 -1.063 -0.349 -4.778 1.00 0.00 H ATOM 650 N ARG A 41 -1.114 -3.225 -3.902 1.00 0.00 N ATOM 651 CA ARG A 41 -2.036 -4.273 -3.480 1.00 0.00 C ATOM 652 C ARG A 41 -1.289 -5.442 -2.850 1.00 0.00 C ATOM 653 O ARG A 41 -1.776 -6.066 -1.907 1.00 0.00 O ATOM 654 CB ARG A 41 -2.853 -4.775 -4.662 1.00 0.00 C ATOM 655 CG ARG A 41 -3.902 -3.801 -5.174 1.00 0.00 C ATOM 656 CD ARG A 41 -4.886 -4.471 -6.062 1.00 0.00 C ATOM 657 NE ARG A 41 -4.263 -4.988 -7.269 1.00 0.00 N ATOM 658 CZ ARG A 41 -4.107 -4.289 -8.410 1.00 0.00 C ATOM 659 NH1 ARG A 41 -4.533 -3.047 -8.483 1.00 0.00 N ATOM 660 NH2 ARG A 41 -3.526 -4.851 -9.456 1.00 0.00 N ATOM 661 H ARG A 41 -0.911 -3.114 -4.884 1.00 0.00 H ATOM 662 HA ARG A 41 -2.720 -3.855 -2.741 1.00 0.00 H ATOM 663 1HB ARG A 41 -2.187 -5.009 -5.491 1.00 0.00 H ATOM 664 2HB ARG A 41 -3.365 -5.696 -4.384 1.00 0.00 H ATOM 665 1HG ARG A 41 -4.440 -3.369 -4.330 1.00 0.00 H ATOM 666 2HG ARG A 41 -3.415 -3.006 -5.740 1.00 0.00 H ATOM 667 1HD ARG A 41 -5.346 -5.304 -5.531 1.00 0.00 H ATOM 668 2HD ARG A 41 -5.656 -3.758 -6.354 1.00 0.00 H ATOM 669 HE ARG A 41 -3.923 -5.941 -7.252 1.00 0.00 H ATOM 670 1HH1 ARG A 41 -4.977 -2.618 -7.684 1.00 0.00 H ATOM 671 2HH1 ARG A 41 -4.416 -2.523 -9.338 1.00 0.00 H ATOM 672 1HH2 ARG A 41 -3.199 -5.806 -9.400 1.00 0.00 H ATOM 673 2HH2 ARG A 41 -3.409 -4.327 -10.310 1.00 0.00 H ATOM 674 N ILE A 42 -0.106 -5.735 -3.377 1.00 0.00 N ATOM 675 CA ILE A 42 0.674 -6.879 -2.920 1.00 0.00 C ATOM 676 C ILE A 42 1.104 -6.709 -1.469 1.00 0.00 C ATOM 677 O ILE A 42 0.978 -7.630 -0.662 1.00 0.00 O ATOM 678 CB ILE A 42 1.919 -7.083 -3.804 1.00 0.00 C ATOM 679 CG1 ILE A 42 1.510 -7.565 -5.198 1.00 0.00 C ATOM 680 CG2 ILE A 42 2.876 -8.070 -3.155 1.00 0.00 C ATOM 681 CD1 ILE A 42 2.620 -7.488 -6.221 1.00 0.00 C ATOM 682 H ILE A 42 0.264 -5.149 -4.112 1.00 0.00 H ATOM 683 HA ILE A 42 0.055 -7.774 -3.000 1.00 0.00 H ATOM 684 HB ILE A 42 2.430 -6.130 -3.938 1.00 0.00 H ATOM 685 1HG1 ILE A 42 1.170 -8.599 -5.140 1.00 0.00 H ATOM 686 2HG1 ILE A 42 0.673 -6.967 -5.560 1.00 0.00 H ATOM 687 1HG2 ILE A 42 3.749 -8.203 -3.793 1.00 0.00 H ATOM 688 2HG2 ILE A 42 3.190 -7.688 -2.185 1.00 0.00 H ATOM 689 3HG2 ILE A 42 2.374 -9.029 -3.021 1.00 0.00 H ATOM 690 1HD1 ILE A 42 2.254 -7.847 -7.183 1.00 0.00 H ATOM 691 2HD1 ILE A 42 2.952 -6.454 -6.321 1.00 0.00 H ATOM 692 3HD1 ILE A 42 3.456 -8.108 -5.898 1.00 0.00 H ATOM 693 N GLU A 43 1.613 -5.526 -1.142 1.00 0.00 N ATOM 694 CA GLU A 43 2.075 -5.237 0.210 1.00 0.00 C ATOM 695 C GLU A 43 2.027 -3.743 0.501 1.00 0.00 C ATOM 696 O GLU A 43 2.180 -2.920 -0.400 1.00 0.00 O ATOM 697 OXT GLU A 43 1.838 -3.356 1.622 1.00 0.00 O ATOM 698 CB GLU A 43 3.500 -5.759 0.411 1.00 0.00 C ATOM 699 CG GLU A 43 4.048 -5.566 1.817 1.00 0.00 C ATOM 700 CD GLU A 43 5.421 -6.153 1.996 1.00 0.00 C ATOM 701 OE1 GLU A 43 5.943 -6.693 1.050 1.00 0.00 O ATOM 702 OE2 GLU A 43 5.948 -6.060 3.079 1.00 0.00 O ATOM 703 H GLU A 43 1.683 -4.808 -1.849 1.00 0.00 H ATOM 704 HA GLU A 43 1.423 -5.753 0.916 1.00 0.00 H ATOM 705 1HB GLU A 43 3.532 -6.825 0.182 1.00 0.00 H ATOM 706 2HB GLU A 43 4.173 -5.255 -0.283 1.00 0.00 H ATOM 707 1HG GLU A 43 4.090 -4.500 2.037 1.00 0.00 H ATOM 708 2HG GLU A 43 3.365 -6.029 2.529 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE start15_0030_0001.pdb label fa_atr fa_rep fa_sol fa_intra_atr_xover4 fa_intra_rep_xover4 fa_intra_sol_xover4 lk_ball lk_ball_iso lk_ball_bridge lk_ball_bridge_uncpl fa_elec fa_intra_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun_dev fa_dun_rot fa_dun_semi p_aa_pp hxl_tors ref rama_prepro gen_bonded total weights 1 0.55 1 1 0.55 1 0.92 -0.38 -0.33 -0.33 1 1 1.25 1 1 1 1 1.25 0.48 0.69 0.76 0.78 0.61 1 1 0.5 1 NA pose -226.302 31.7286 153.138 -16.5971 8.35895 11.969 82.8425 -95.0417 -0.40193 -2.79711 -55.2758 -12.7209 0 -24.0238 -3.54197 -2.86804 -1.29929 0 2.22638 2.40357 23.2049 35.2865 -9.49839 4.57189 -9.03585 -2.65743 0 -106.331 GLY:NtermProteinFull_1 -3.65361 0.3856 3.84234 -0.00083 0 0 2.37986 -2.11698 -0 -0 -3.86752 0.24033 0 0 0 0 0 0 0.00078 0 0 0 0 0 0.83697 0 0 -1.95306 GLU_2 -2.7546 0.18135 3.79371 -0.46547 0.28538 1.46541 1.51766 -1.72102 -0.04685 -0.36675 -1.45733 -2.9223 0 0 0 0 0 0 -0.03287 0.03067 0 4.01015 -0.28135 0 -2.7348 -0.22039 0 -1.71941 HIS_3 -6.9392 0.55373 5.33335 -0.71127 0.01429 0.75665 1.35046 -2.93083 -0.04619 -0.32795 -1.4004 -1.8001 0 0 0 0 0 0 -0.01135 0.03325 0 2.01838 -0.05547 0 -0.45461 -0.32471 0 -4.94196 ALA_4 -6.48248 1.27436 3.33786 -0.02128 0 0 2.46915 -2.79251 -0 -0 -1.0026 -0.33886 0 0 0 0 0 0 0.23786 0 0 0 0.10799 0 1.8394 0.07298 0 -1.29813 GLU_5 -4.25142 0.12047 5.03324 -0.21532 0.0277 0.29577 2.1004 -2.36421 -0.01463 -0.14895 -1.5488 -0.58349 0 0 0 0 0 0 0.22809 0.02131 0 2.99828 -0.26483 0 -2.7348 -0.02817 0 -1.32934 GLU_6 -5.19008 0.27044 6.2003 -0.21693 0.03107 0.30641 2.39439 -2.83935 -0.01653 -0.15404 -2.03855 -0.59756 0 0 0 0 0 0 -0.01909 0.00057 0 3.01784 -0.3334 0 -2.7348 -0.45467 0 -2.37399 LEU_7 -9.56322 2.0204 2.81071 -0.71349 0.56608 0.27842 3.03186 -2.80454 -0 -0 -1.51901 0.1494 0 0 0 0 0 0 -0.04289 0.0038 0.99432 0 -0.24606 0 0.18072 -0.15218 0 -5.00569 LEU_8 -7.11162 1.11513 3.58432 -0.7178 0.69426 0.28653 2.18285 -2.61622 -0 -0 -1.73822 0.16125 0 0 0 -0.48403 0 0 0.23558 0.13565 0.96769 0 -0.25285 0 0.18072 0.16333 0 -3.21343 ARG_9 -5.84935 0.30685 7.16542 -0.79975 0.19129 0.5281 2.59332 -3.2131 -0.00975 -0.06588 -2.58718 0.40617 0 0 0 0 0 0 -0.01587 0.05854 1.51307 0 -0.08669 0 -1.2888 0.0147 0 -1.13889 LEU_10 -6.80666 0.62688 4.41778 -0.7056 0.43107 0.26387 2.79175 -2.73174 -0.00264 -0.03708 -2.17463 0.15022 0 0 0 0 0 0 -0.02825 0.02516 0.85974 0 -0.18402 0 0.18072 0.28717 0 -2.63627 ALA_11 -6.33606 0.817 3.67867 -0.02113 0 0 2.5431 -2.84185 -0 -0 -1.87477 -0.34991 0 0 0 0 0 0 0.36519 0 0 0 -0.15654 0 1.8394 0.45895 0 -1.87795 HIS_D_12 -6.28037 0.51134 4.98949 -0.41392 0.01113 0.45567 2.65814 -2.92623 -0.01509 -0.11144 -2.08719 -0.21816 0 0 0 -1.43402 0 0 0.41137 0.05386 0 2.49871 -0.06432 0 -0.45461 0.14685 0 -2.26878 GLU_13 -3.60143 0.15395 4.44043 -0.21477 0.02825 0.30209 1.29795 -1.93682 -0.00264 -0.03708 -0.95218 -0.59647 0 0 0 0 0 0 0.14815 0.05189 0 3.03445 -0.27437 0 -2.7348 -0.18666 0 -1.08007 LEU_14 -5.32447 0.71578 3.04388 -0.49941 0.40363 0.11863 1.48447 -1.79431 -0.00975 -0.06588 -0.18147 0.21812 0 0 0 0 0 0 0.11343 0.19211 0.38041 0 -0.27029 0 0.18072 -0.24898 0 -1.54336 GLY_15 -2.30626 0.15819 2.147 -5e-05 0 0 0.94498 -1.21338 -0 -0 -0.56616 -0.40101 0 0 0 0 0 0 -0.1715 0 0 0 -1.42567 0 0.83697 -0.40657 0 -2.40346 ARG_16 -5.02799 0.4424 4.00969 -0.81278 0.22911 0.5577 1.5146 -2.09492 -0 -0 -0.35427 0.29433 0 0 0 0 0 0 0.09218 0.1891 2.32657 0 -0.17062 0 -1.2888 -0.48393 0 -0.57763 THR_17 -3.09441 0.27785 1.82271 -0.16619 0.10004 0.05992 0.65116 -1.17887 -0 -0 -1.28853 -0.01943 0 0 0 0 0 0 -0.05478 0.02901 0.06135 0 0.04343 2.28591 -1.0874 -0.15685 0 -1.71507 ILE_18 -8.00763 1.35533 1.57865 -0.57223 0.76388 0.16155 2.28805 -2.14725 -0 -0 -1.01582 -0.17336 0 0 0 0 0 0 0.02807 0.00614 0.49399 0 -0.05443 0 0.73287 -0.17194 0 -4.73415 HIS_D_19 -4.64398 0.65126 3.75812 -0.64381 0.01961 0.54939 1.0045 -2.04966 -0 -0 -1.00781 -0.64487 0 0 0 0 -0.64964 0 -0.01865 2e-05 0 2.39744 -0.43797 0 -0.45461 0.15624 0 -2.01442 LEU_20 -6.36682 1.47725 2.37215 -0.44781 0.19486 0.11279 2.03464 -2.10606 -0 -0 -0.93124 -0.02944 0 0 0 0 0 0 0.07088 0.33966 2.21101 0 -0.01537 0 0.18072 0.39084 0 -0.51195 TRP_21 -6.58918 1.84193 0.80459 -0.8612 0.05336 0.59812 0.63338 -1.34117 -0 -0 0.02138 -0.51585 0 0 0 0 0 0 -0.10085 0.00506 0 2.4579 0.27184 0 1.6906 0.55217 0 -0.47792 LEU_22 -2.72708 0.80225 2.10667 -0.53452 0.38006 0.16465 0.29029 -1.25265 -0 -0 -0.31878 -0.07575 0 0 0 0 0 0 0.00933 0.10462 0.24043 0 0.58564 0 0.18072 1.01338 0 0.96924 VAL_23 -7.22488 1.83615 3.33276 -0.27723 0.19446 0.06041 2.45384 -2.70051 -0.0039 -0.01196 -1.14599 -0.30425 0 0 0 0 0 0 -0.04988 0.01655 0.20085 0 -0.74634 0 1.9342 0.35285 0 -2.08286 THR_24 -3.83745 0.31772 2.13908 -0.1726 0.12464 0.06303 1.15792 -1.47184 -0.01205 -0.04512 -1.11661 0.28771 0 0 0 0 -0.64964 0 0.07233 7e-05 0.13296 0 -0.07929 2.28598 -1.0874 -0.22907 0 -2.11966 LEU_25 -8.99228 2.01629 0.64365 -0.48292 0.46475 0.12481 2.13396 -2.12942 -0.00758 -0.02368 -1.01772 -0.01041 0 0 0 0 0 0 0.25206 0.18408 2.0673 0 -0.194 0 0.18072 -0.02187 0 -4.81226 ILE_26 -3.83059 0.45195 1.99824 -0.4869 0.55356 0.10679 1.71126 -1.5425 -0.03716 -0.21367 -1.04442 0.08691 0 0 0 0 0 0 0.23146 0.06213 0.42023 0 -0.73973 0 0.73287 -0.32139 0 -1.86095 VAL_27 -5.14364 0.90934 1.04889 -0.28451 0.21583 0.06106 0.32017 -1.67731 -0.00369 -0.01172 0.195 0.24029 0 0 0 0 0 0 -0.0546 0.00247 0.07174 0 -0.31118 0 1.9342 -0.41327 0 -2.90094 GLY_28 -1.46479 0.07703 1.69748 -6e-05 0 0 0.94599 -0.88796 -0.00038 -0.00193 -0.83842 -0.40227 0 0 0 -0.94999 0 0 -0.16389 0 0 0 -1.50997 0 0.83697 -0.54173 0 -3.20394 ALA_29 -3.62262 0.44906 2.3281 -0.02179 0 0 1.97186 -1.82665 -0.00489 -0.02487 -0.58129 -0.18327 0 0 0 0 0 0 0.25161 0 0 0 -0.00937 0 1.8394 -0.64197 0 -0.07669 GLU_30 -2.83089 0.22192 3.65136 -0.21489 0.03244 0.30602 1.64074 -1.64386 -0.02356 -0.12235 -1.64116 -0.58505 0 0 0 0 0 0 -0.04681 0.00153 0 3.10724 -0.28317 0 -2.7348 -0.37983 0 -1.54513 GLU_31 -4.26809 0.8316 4.30515 -0.45967 0.19604 1.42228 2.53888 -2.25062 -0.01859 -0.10669 -1.63654 -2.87965 0 0 0 0 0 0 -0.09217 0.00849 0 3.86224 -0.34645 0 -2.7348 -0.34599 0 -1.97458 ALA_32 -5.62398 0.83177 2.42764 -0.02377 0 0 2.37381 -2.34449 -0.0241 -0.14087 -0.35777 -0.39846 0 0 0 0 0 0 -0.1145 0 0 0 -0.2784 0 1.8394 -0.31226 0 -2.14598 LYS_33 -5.45735 0.77959 4.89576 -0.43175 0.0587 0.25014 2.6017 -2.47978 -0 -0 -1.81751 -0.13192 0 0 0 0 0 0 -0.04496 0.02503 2.31282 0 -0.11288 0 -1.5107 -0.0037 0 -1.06682 LYS_34 -4.66947 0.15297 5.04996 -0.30736 0.02885 0.13734 2.20506 -2.32297 -0.0446 -0.28317 -1.50487 -0.01781 0 0 0 0 0 0 -0.05439 0.08448 1.73679 0 -0.02733 0 -1.5107 -0.0195 0 -1.36672 VAL_35 -6.22914 1.40544 3.18091 -0.28833 0.23133 0.04928 2.18656 -2.5153 -0 -0 -1.82 0.44427 0 0 0 0 0 0 0.11639 0.00282 0.49088 0 0.28542 0 1.9342 -0.20429 0 -0.72957 VAL_36 -8.57899 2.24838 3.473 -0.31662 0.32002 0.07302 3.24187 -3.09164 -0 -0 -1.83688 -0.20654 0 0 0 0 0 0 0.14747 0.41546 0.43751 0 -0.28954 0 1.9342 -0.05578 0 -2.08508 GLU_37 -5.42263 0.29055 6.20084 -0.21546 0.02551 0.29378 2.61862 -2.90574 -0.03792 -0.30648 -1.79817 -0.5861 0 0 0 0 0 0 0.40409 0.03381 0 3.08925 -0.21354 0 -2.7348 -0.10074 0 -1.36512 LYS_38 -5.54135 0.56205 5.68198 -0.41569 0.05968 0.21761 2.42582 -2.75194 -0 -0 -1.54666 -0.08056 0 0 0 0 0 0 0.1048 0.00744 1.97953 0 0.06784 0 -1.5107 0.06638 0 -0.67376 LEU_39 -8.48073 0.82233 3.96795 -0.71243 0.51447 0.27974 3.02744 -2.92419 -0 -0 -0.9741 0.12395 0 0 0 0 0 0 -0.05426 0.04401 1.05351 0 -0.25475 0 0.18072 0.23434 0 -3.15201 ALA_40 -4.86618 0.39534 4.27343 -0.02275 0 0 2.69332 -2.72661 -0 -0 -1.20469 -0.37149 0 0 0 0 0 0 -0.01334 0 0 0 -0.28781 0 1.8394 -0.15051 0 -0.4419 ARG_41 -4.32189 0.33143 5.22083 -0.80162 0.19393 0.53012 1.57578 -2.38346 -0.01687 -0.14566 -0.86387 0.37943 0 0 0 0 0 0 -0.0413 0.10911 1.72158 0 -0.14468 0 -1.2888 -0.32582 0 -0.27173 ILE_42 -3.9249 0.45812 2.88263 -0.51351 0.61807 0.10074 1.46045 -1.51145 -0 -0 -0.85291 0.11479 0 0 0 0 0 0 -0.06852 0.12494 0.5306 0 -0.45784 0 0.73287 0.12036 0 -0.18556 GLU:CtermProteinFull_43 -3.06211 0.27985 4.46714 -0.3917 0.10159 0.63115 1.40051 -1.93979 -0.00257 -0.04389 -1.98011 -0.59369 0 0 0 0 0 0 0 0.00073 0 2.79466 0 0 -2.7348 0.21481 0 -0.85821 #END_POSE_ENERGIES_TABLE start15_0030_0001.pdb score_per_res -1.94261 total_score -83.5321
HEEH_KT_rd6_5115.pdb
ATOM 1 N THR A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA THR A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C THR A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O THR A 1 1.790 2.181 -0.943 1.00 0.00 O ATOM 5 CB THR A 1 2.012 -0.770 -1.213 1.00 0.00 C ATOM 6 OG1 THR A 1 1.553 -2.127 -1.171 1.00 0.00 O ATOM 7 CG2 THR A 1 3.533 -0.753 -1.206 1.00 0.00 C ATOM 8 1H THR A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 9 2H THR A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 10 3H THR A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 11 HA THR A 1 1.804 -0.509 0.900 1.00 0.00 H ATOM 12 HB THR A 1 1.654 -0.307 -2.132 1.00 0.00 H ATOM 13 HG1 THR A 1 1.735 -2.552 -2.013 1.00 0.00 H ATOM 14 1HG2 THR A 1 3.907 -1.301 -2.071 1.00 0.00 H ATOM 15 2HG2 THR A 1 3.886 0.278 -1.249 1.00 0.00 H ATOM 16 3HG2 THR A 1 3.898 -1.222 -0.294 1.00 0.00 H ATOM 17 N GLU A 2 2.725 1.772 1.063 1.00 0.00 N ATOM 18 CA GLU A 2 3.232 3.129 1.229 1.00 0.00 C ATOM 19 C GLU A 2 4.230 3.482 0.135 1.00 0.00 C ATOM 20 O GLU A 2 4.263 4.615 -0.346 1.00 0.00 O ATOM 21 CB GLU A 2 3.889 3.288 2.602 1.00 0.00 C ATOM 22 CG GLU A 2 2.930 3.158 3.777 1.00 0.00 C ATOM 23 CD GLU A 2 2.602 1.728 4.109 1.00 0.00 C ATOM 24 OE1 GLU A 2 3.132 0.853 3.467 1.00 0.00 O ATOM 25 OE2 GLU A 2 1.821 1.512 5.005 1.00 0.00 O ATOM 26 H GLU A 2 2.923 1.082 1.772 1.00 0.00 H ATOM 27 HA GLU A 2 2.392 3.821 1.173 1.00 0.00 H ATOM 28 1HB GLU A 2 4.669 2.536 2.722 1.00 0.00 H ATOM 29 2HB GLU A 2 4.365 4.266 2.667 1.00 0.00 H ATOM 30 1HG GLU A 2 3.377 3.628 4.652 1.00 0.00 H ATOM 31 2HG GLU A 2 2.010 3.691 3.542 1.00 0.00 H ATOM 32 N GLU A 3 5.045 2.506 -0.253 1.00 0.00 N ATOM 33 CA GLU A 3 6.066 2.721 -1.271 1.00 0.00 C ATOM 34 C GLU A 3 5.451 3.211 -2.575 1.00 0.00 C ATOM 35 O GLU A 3 5.986 4.107 -3.227 1.00 0.00 O ATOM 36 CB GLU A 3 6.852 1.431 -1.519 1.00 0.00 C ATOM 37 CG GLU A 3 7.979 1.567 -2.533 1.00 0.00 C ATOM 38 CD GLU A 3 8.827 0.330 -2.633 1.00 0.00 C ATOM 39 OE1 GLU A 3 8.545 -0.619 -1.941 1.00 0.00 O ATOM 40 OE2 GLU A 3 9.758 0.333 -3.403 1.00 0.00 O ATOM 41 H GLU A 3 4.954 1.593 0.167 1.00 0.00 H ATOM 42 HA GLU A 3 6.763 3.479 -0.908 1.00 0.00 H ATOM 43 1HB GLU A 3 7.285 1.083 -0.581 1.00 0.00 H ATOM 44 2HB GLU A 3 6.174 0.655 -1.874 1.00 0.00 H ATOM 45 1HG GLU A 3 7.550 1.779 -3.512 1.00 0.00 H ATOM 46 2HG GLU A 3 8.607 2.411 -2.251 1.00 0.00 H ATOM 47 N VAL A 4 4.324 2.616 -2.952 1.00 0.00 N ATOM 48 CA VAL A 4 3.671 2.939 -4.215 1.00 0.00 C ATOM 49 C VAL A 4 3.152 4.371 -4.217 1.00 0.00 C ATOM 50 O VAL A 4 3.301 5.095 -5.201 1.00 0.00 O ATOM 51 CB VAL A 4 2.501 1.972 -4.474 1.00 0.00 C ATOM 52 CG1 VAL A 4 1.698 2.421 -5.686 1.00 0.00 C ATOM 53 CG2 VAL A 4 3.030 0.560 -4.671 1.00 0.00 C ATOM 54 H VAL A 4 3.908 1.922 -2.347 1.00 0.00 H ATOM 55 HA VAL A 4 4.401 2.830 -5.018 1.00 0.00 H ATOM 56 HB VAL A 4 1.828 1.993 -3.617 1.00 0.00 H ATOM 57 1HG1 VAL A 4 0.875 1.726 -5.855 1.00 0.00 H ATOM 58 2HG1 VAL A 4 1.299 3.419 -5.509 1.00 0.00 H ATOM 59 3HG1 VAL A 4 2.343 2.437 -6.564 1.00 0.00 H ATOM 60 1HG2 VAL A 4 2.197 -0.119 -4.853 1.00 0.00 H ATOM 61 2HG2 VAL A 4 3.708 0.540 -5.524 1.00 0.00 H ATOM 62 3HG2 VAL A 4 3.566 0.244 -3.775 1.00 0.00 H ATOM 63 N GLU A 5 2.542 4.775 -3.107 1.00 0.00 N ATOM 64 CA GLU A 5 1.990 6.119 -2.983 1.00 0.00 C ATOM 65 C GLU A 5 3.082 7.175 -3.077 1.00 0.00 C ATOM 66 O GLU A 5 2.888 8.231 -3.678 1.00 0.00 O ATOM 67 CB GLU A 5 1.238 6.266 -1.658 1.00 0.00 C ATOM 68 CG GLU A 5 -0.055 5.466 -1.577 1.00 0.00 C ATOM 69 CD GLU A 5 -1.102 5.948 -2.542 1.00 0.00 C ATOM 70 OE1 GLU A 5 -1.244 7.138 -2.691 1.00 0.00 O ATOM 71 OE2 GLU A 5 -1.761 5.124 -3.132 1.00 0.00 O ATOM 72 H GLU A 5 2.460 4.135 -2.330 1.00 0.00 H ATOM 73 HA GLU A 5 1.279 6.277 -3.795 1.00 0.00 H ATOM 74 1HB GLU A 5 1.881 5.946 -0.837 1.00 0.00 H ATOM 75 2HB GLU A 5 0.993 7.315 -1.493 1.00 0.00 H ATOM 76 1HG GLU A 5 0.163 4.420 -1.787 1.00 0.00 H ATOM 77 2HG GLU A 5 -0.446 5.530 -0.562 1.00 0.00 H ATOM 78 N GLU A 6 4.233 6.884 -2.479 1.00 0.00 N ATOM 79 CA GLU A 6 5.378 7.786 -2.540 1.00 0.00 C ATOM 80 C GLU A 6 5.900 7.916 -3.965 1.00 0.00 C ATOM 81 O GLU A 6 6.286 9.001 -4.398 1.00 0.00 O ATOM 82 CB GLU A 6 6.496 7.291 -1.620 1.00 0.00 C ATOM 83 CG GLU A 6 6.195 7.429 -0.134 1.00 0.00 C ATOM 84 CD GLU A 6 7.303 6.909 0.738 1.00 0.00 C ATOM 85 OE1 GLU A 6 8.240 6.358 0.211 1.00 0.00 O ATOM 86 OE2 GLU A 6 7.214 7.064 1.934 1.00 0.00 O ATOM 87 H GLU A 6 4.316 6.016 -1.969 1.00 0.00 H ATOM 88 HA GLU A 6 5.062 8.769 -2.191 1.00 0.00 H ATOM 89 1HB GLU A 6 6.698 6.240 -1.824 1.00 0.00 H ATOM 90 2HB GLU A 6 7.411 7.847 -1.828 1.00 0.00 H ATOM 91 1HG GLU A 6 6.029 8.481 0.097 1.00 0.00 H ATOM 92 2HG GLU A 6 5.277 6.887 0.091 1.00 0.00 H ATOM 93 N ILE A 7 5.911 6.802 -4.690 1.00 0.00 N ATOM 94 CA ILE A 7 6.357 6.797 -6.078 1.00 0.00 C ATOM 95 C ILE A 7 5.417 7.608 -6.962 1.00 0.00 C ATOM 96 O ILE A 7 5.862 8.356 -7.833 1.00 0.00 O ATOM 97 CB ILE A 7 6.456 5.358 -6.617 1.00 0.00 C ATOM 98 CG1 ILE A 7 7.589 4.603 -5.918 1.00 0.00 C ATOM 99 CG2 ILE A 7 6.668 5.368 -8.123 1.00 0.00 C ATOM 100 CD1 ILE A 7 7.546 3.106 -6.128 1.00 0.00 C ATOM 101 H ILE A 7 5.601 5.938 -4.269 1.00 0.00 H ATOM 102 HA ILE A 7 7.351 7.242 -6.124 1.00 0.00 H ATOM 103 HB ILE A 7 5.534 4.822 -6.393 1.00 0.00 H ATOM 104 1HG1 ILE A 7 8.549 4.971 -6.279 1.00 0.00 H ATOM 105 2HG1 ILE A 7 7.548 4.797 -4.845 1.00 0.00 H ATOM 106 1HG2 ILE A 7 6.737 4.343 -8.487 1.00 0.00 H ATOM 107 2HG2 ILE A 7 5.830 5.869 -8.605 1.00 0.00 H ATOM 108 3HG2 ILE A 7 7.592 5.899 -8.357 1.00 0.00 H ATOM 109 1HD1 ILE A 7 8.380 2.641 -5.602 1.00 0.00 H ATOM 110 2HD1 ILE A 7 6.606 2.711 -5.740 1.00 0.00 H ATOM 111 3HD1 ILE A 7 7.621 2.886 -7.192 1.00 0.00 H ATOM 112 N ILE A 8 4.118 7.456 -6.731 1.00 0.00 N ATOM 113 CA ILE A 8 3.113 8.176 -7.505 1.00 0.00 C ATOM 114 C ILE A 8 3.306 9.683 -7.391 1.00 0.00 C ATOM 115 O ILE A 8 3.274 10.401 -8.390 1.00 0.00 O ATOM 116 CB ILE A 8 1.693 7.803 -7.044 1.00 0.00 C ATOM 117 CG1 ILE A 8 1.366 6.360 -7.436 1.00 0.00 C ATOM 118 CG2 ILE A 8 0.672 8.763 -7.636 1.00 0.00 C ATOM 119 CD1 ILE A 8 0.109 5.822 -6.791 1.00 0.00 C ATOM 120 H ILE A 8 3.818 6.826 -6.002 1.00 0.00 H ATOM 121 HA ILE A 8 3.213 7.890 -8.553 1.00 0.00 H ATOM 122 HB ILE A 8 1.638 7.855 -5.957 1.00 0.00 H ATOM 123 1HG1 ILE A 8 1.249 6.294 -8.517 1.00 0.00 H ATOM 124 2HG1 ILE A 8 2.196 5.710 -7.158 1.00 0.00 H ATOM 125 1HG2 ILE A 8 -0.327 8.485 -7.301 1.00 0.00 H ATOM 126 2HG2 ILE A 8 0.895 9.778 -7.309 1.00 0.00 H ATOM 127 3HG2 ILE A 8 0.716 8.715 -8.724 1.00 0.00 H ATOM 128 1HD1 ILE A 8 -0.056 4.794 -7.117 1.00 0.00 H ATOM 129 2HD1 ILE A 8 0.218 5.845 -5.706 1.00 0.00 H ATOM 130 3HD1 ILE A 8 -0.741 6.435 -7.084 1.00 0.00 H ATOM 131 N LYS A 9 3.505 10.156 -6.165 1.00 0.00 N ATOM 132 CA LYS A 9 3.693 11.581 -5.915 1.00 0.00 C ATOM 133 C LYS A 9 4.911 12.115 -6.658 1.00 0.00 C ATOM 134 O LYS A 9 4.839 13.145 -7.329 1.00 0.00 O ATOM 135 CB LYS A 9 3.833 11.849 -4.416 1.00 0.00 C ATOM 136 CG LYS A 9 2.543 11.679 -3.623 1.00 0.00 C ATOM 137 CD LYS A 9 2.770 11.922 -2.139 1.00 0.00 C ATOM 138 CE LYS A 9 1.489 11.726 -1.342 1.00 0.00 C ATOM 139 NZ LYS A 9 1.703 11.929 0.116 1.00 0.00 N ATOM 140 H LYS A 9 3.528 9.514 -5.386 1.00 0.00 H ATOM 141 HA LYS A 9 2.808 12.113 -6.267 1.00 0.00 H ATOM 142 1HB LYS A 9 4.576 11.172 -3.993 1.00 0.00 H ATOM 143 2HB LYS A 9 4.190 12.867 -4.259 1.00 0.00 H ATOM 144 1HG LYS A 9 1.796 12.385 -3.988 1.00 0.00 H ATOM 145 2HG LYS A 9 2.161 10.668 -3.763 1.00 0.00 H ATOM 146 1HD LYS A 9 3.528 11.231 -1.769 1.00 0.00 H ATOM 147 2HD LYS A 9 3.128 12.941 -1.988 1.00 0.00 H ATOM 148 1HE LYS A 9 0.734 12.431 -1.688 1.00 0.00 H ATOM 149 2HE LYS A 9 1.111 10.716 -1.504 1.00 0.00 H ATOM 150 1HZ LYS A 9 0.832 11.790 0.608 1.00 0.00 H ATOM 151 2HZ LYS A 9 2.389 11.267 0.452 1.00 0.00 H ATOM 152 3HZ LYS A 9 2.035 12.869 0.280 1.00 0.00 H ATOM 153 N LYS A 10 6.029 11.409 -6.534 1.00 0.00 N ATOM 154 CA LYS A 10 7.273 11.825 -7.171 1.00 0.00 C ATOM 155 C LYS A 10 7.201 11.657 -8.683 1.00 0.00 C ATOM 156 O LYS A 10 7.721 12.482 -9.436 1.00 0.00 O ATOM 157 CB LYS A 10 8.454 11.032 -6.610 1.00 0.00 C ATOM 158 CG LYS A 10 8.805 11.364 -5.165 1.00 0.00 C ATOM 159 CD LYS A 10 9.939 10.486 -4.657 1.00 0.00 C ATOM 160 CE LYS A 10 10.275 10.800 -3.206 1.00 0.00 C ATOM 161 NZ LYS A 10 11.350 9.915 -2.680 1.00 0.00 N ATOM 162 H LYS A 10 6.018 10.561 -5.985 1.00 0.00 H ATOM 163 HA LYS A 10 7.443 12.878 -6.944 1.00 0.00 H ATOM 164 1HB LYS A 10 8.236 9.966 -6.665 1.00 0.00 H ATOM 165 2HB LYS A 10 9.339 11.217 -7.220 1.00 0.00 H ATOM 166 1HG LYS A 10 9.106 12.409 -5.095 1.00 0.00 H ATOM 167 2HG LYS A 10 7.929 11.213 -4.535 1.00 0.00 H ATOM 168 1HD LYS A 10 9.651 9.437 -4.736 1.00 0.00 H ATOM 169 2HD LYS A 10 10.827 10.648 -5.268 1.00 0.00 H ATOM 170 1HE LYS A 10 10.600 11.835 -3.124 1.00 0.00 H ATOM 171 2HE LYS A 10 9.384 10.672 -2.591 1.00 0.00 H ATOM 172 1HZ LYS A 10 11.542 10.154 -1.718 1.00 0.00 H ATOM 173 2HZ LYS A 10 11.050 8.952 -2.734 1.00 0.00 H ATOM 174 3HZ LYS A 10 12.187 10.038 -3.231 1.00 0.00 H ATOM 175 N LEU A 11 6.552 10.584 -9.125 1.00 0.00 N ATOM 176 CA LEU A 11 6.455 10.278 -10.547 1.00 0.00 C ATOM 177 C LEU A 11 5.700 11.369 -11.294 1.00 0.00 C ATOM 178 O LEU A 11 6.114 11.797 -12.372 1.00 0.00 O ATOM 179 CB LEU A 11 5.754 8.929 -10.753 1.00 0.00 C ATOM 180 CG LEU A 11 5.535 8.510 -12.212 1.00 0.00 C ATOM 181 CD1 LEU A 11 5.703 7.002 -12.338 1.00 0.00 C ATOM 182 CD2 LEU A 11 4.149 8.945 -12.663 1.00 0.00 C ATOM 183 H LEU A 11 6.116 9.965 -8.457 1.00 0.00 H ATOM 184 HA LEU A 11 7.465 10.208 -10.956 1.00 0.00 H ATOM 185 1HB LEU A 11 6.346 8.153 -10.271 1.00 0.00 H ATOM 186 2HB LEU A 11 4.779 8.967 -10.269 1.00 0.00 H ATOM 187 HG LEU A 11 6.287 8.983 -12.844 1.00 0.00 H ATOM 188 1HD1 LEU A 11 5.547 6.703 -13.375 1.00 0.00 H ATOM 189 2HD1 LEU A 11 6.709 6.720 -12.028 1.00 0.00 H ATOM 190 3HD1 LEU A 11 4.973 6.500 -11.703 1.00 0.00 H ATOM 191 1HD2 LEU A 11 3.993 8.648 -13.700 1.00 0.00 H ATOM 192 2HD2 LEU A 11 3.396 8.472 -12.033 1.00 0.00 H ATOM 193 3HD2 LEU A 11 4.062 10.029 -12.579 1.00 0.00 H ATOM 194 N ILE A 12 4.590 11.815 -10.717 1.00 0.00 N ATOM 195 CA ILE A 12 3.746 12.820 -11.353 1.00 0.00 C ATOM 196 C ILE A 12 4.476 14.151 -11.481 1.00 0.00 C ATOM 197 O ILE A 12 4.383 14.824 -12.507 1.00 0.00 O ATOM 198 CB ILE A 12 2.442 13.024 -10.560 1.00 0.00 C ATOM 199 CG1 ILE A 12 1.569 11.769 -10.636 1.00 0.00 C ATOM 200 CG2 ILE A 12 1.685 14.235 -11.082 1.00 0.00 C ATOM 201 CD1 ILE A 12 0.407 11.773 -9.669 1.00 0.00 C ATOM 202 H ILE A 12 4.324 11.449 -9.814 1.00 0.00 H ATOM 203 HA ILE A 12 3.482 12.469 -12.351 1.00 0.00 H ATOM 204 HB ILE A 12 2.677 13.181 -9.507 1.00 0.00 H ATOM 205 1HG1 ILE A 12 1.173 11.662 -11.645 1.00 0.00 H ATOM 206 2HG1 ILE A 12 2.179 10.888 -10.430 1.00 0.00 H ATOM 207 1HG2 ILE A 12 0.766 14.364 -10.511 1.00 0.00 H ATOM 208 2HG2 ILE A 12 2.305 15.124 -10.978 1.00 0.00 H ATOM 209 3HG2 ILE A 12 1.440 14.085 -12.134 1.00 0.00 H ATOM 210 1HD1 ILE A 12 -0.164 10.852 -9.782 1.00 0.00 H ATOM 211 2HD1 ILE A 12 0.784 11.844 -8.648 1.00 0.00 H ATOM 212 3HD1 ILE A 12 -0.237 12.626 -9.878 1.00 0.00 H ATOM 213 N LYS A 13 5.201 14.525 -10.433 1.00 0.00 N ATOM 214 CA LYS A 13 5.996 15.748 -10.448 1.00 0.00 C ATOM 215 C LYS A 13 7.078 15.689 -11.518 1.00 0.00 C ATOM 216 O LYS A 13 7.335 16.674 -12.210 1.00 0.00 O ATOM 217 CB LYS A 13 6.626 15.994 -9.076 1.00 0.00 C ATOM 218 CG LYS A 13 5.638 16.415 -7.996 1.00 0.00 C ATOM 219 CD LYS A 13 6.335 16.621 -6.659 1.00 0.00 C ATOM 220 CE LYS A 13 5.348 17.036 -5.578 1.00 0.00 C ATOM 221 NZ LYS A 13 6.015 17.235 -4.263 1.00 0.00 N ATOM 222 H LYS A 13 5.204 13.948 -9.604 1.00 0.00 H ATOM 223 HA LYS A 13 5.334 16.587 -10.666 1.00 0.00 H ATOM 224 1HB LYS A 13 7.125 15.086 -8.737 1.00 0.00 H ATOM 225 2HB LYS A 13 7.384 16.773 -9.158 1.00 0.00 H ATOM 226 1HG LYS A 13 5.152 17.347 -8.290 1.00 0.00 H ATOM 227 2HG LYS A 13 4.873 15.648 -7.883 1.00 0.00 H ATOM 228 1HD LYS A 13 6.823 15.694 -6.357 1.00 0.00 H ATOM 229 2HD LYS A 13 7.095 17.396 -6.761 1.00 0.00 H ATOM 230 1HE LYS A 13 4.860 17.965 -5.868 1.00 0.00 H ATOM 231 2HE LYS A 13 4.582 16.268 -5.470 1.00 0.00 H ATOM 232 1HZ LYS A 13 5.328 17.509 -3.574 1.00 0.00 H ATOM 233 2HZ LYS A 13 6.456 16.373 -3.974 1.00 0.00 H ATOM 234 3HZ LYS A 13 6.714 17.959 -4.345 1.00 0.00 H ATOM 235 N LYS A 14 7.710 14.528 -11.650 1.00 0.00 N ATOM 236 CA LYS A 14 8.719 14.317 -12.682 1.00 0.00 C ATOM 237 C LYS A 14 8.094 14.318 -14.071 1.00 0.00 C ATOM 238 O LYS A 14 8.682 14.823 -15.027 1.00 0.00 O ATOM 239 CB LYS A 14 9.464 13.003 -12.441 1.00 0.00 C ATOM 240 CG LYS A 14 10.414 13.028 -11.250 1.00 0.00 C ATOM 241 CD LYS A 14 11.091 11.679 -11.056 1.00 0.00 C ATOM 242 CE LYS A 14 12.042 11.703 -9.869 1.00 0.00 C ATOM 243 NZ LYS A 14 12.720 10.393 -9.672 1.00 0.00 N ATOM 244 H LYS A 14 7.486 13.771 -11.019 1.00 0.00 H ATOM 245 HA LYS A 14 9.446 15.128 -12.625 1.00 0.00 H ATOM 246 1HB LYS A 14 8.744 12.201 -12.278 1.00 0.00 H ATOM 247 2HB LYS A 14 10.045 12.747 -13.327 1.00 0.00 H ATOM 248 1HG LYS A 14 11.178 13.789 -11.410 1.00 0.00 H ATOM 249 2HG LYS A 14 9.858 13.279 -10.347 1.00 0.00 H ATOM 250 1HD LYS A 14 10.334 10.912 -10.890 1.00 0.00 H ATOM 251 2HD LYS A 14 11.653 11.422 -11.954 1.00 0.00 H ATOM 252 1HE LYS A 14 12.800 12.470 -10.025 1.00 0.00 H ATOM 253 2HE LYS A 14 11.488 11.950 -8.963 1.00 0.00 H ATOM 254 1HZ LYS A 14 13.340 10.450 -8.877 1.00 0.00 H ATOM 255 2HZ LYS A 14 12.027 9.676 -9.508 1.00 0.00 H ATOM 256 3HZ LYS A 14 13.253 10.162 -10.498 1.00 0.00 H ATOM 257 N GLY A 15 6.898 13.748 -14.177 1.00 0.00 N ATOM 258 CA GLY A 15 6.166 13.732 -15.438 1.00 0.00 C ATOM 259 C GLY A 15 6.461 12.464 -16.230 1.00 0.00 C ATOM 260 O GLY A 15 6.346 12.446 -17.455 1.00 0.00 O ATOM 261 H GLY A 15 6.487 13.314 -13.363 1.00 0.00 H ATOM 262 1HA GLY A 15 5.097 13.800 -15.238 1.00 0.00 H ATOM 263 2HA GLY A 15 6.439 14.606 -16.027 1.00 0.00 H ATOM 264 N GLU A 16 6.842 11.406 -15.523 1.00 0.00 N ATOM 265 CA GLU A 16 7.166 10.136 -16.161 1.00 0.00 C ATOM 266 C GLU A 16 5.911 9.316 -16.428 1.00 0.00 C ATOM 267 O GLU A 16 4.986 9.297 -15.617 1.00 0.00 O ATOM 268 CB GLU A 16 8.134 9.333 -15.288 1.00 0.00 C ATOM 269 CG GLU A 16 8.511 7.972 -15.856 1.00 0.00 C ATOM 270 CD GLU A 16 9.516 7.242 -15.008 1.00 0.00 C ATOM 271 OE1 GLU A 16 9.920 7.780 -14.005 1.00 0.00 O ATOM 272 OE2 GLU A 16 9.879 6.146 -15.364 1.00 0.00 O ATOM 273 H GLU A 16 6.908 11.483 -14.518 1.00 0.00 H ATOM 274 HA GLU A 16 7.659 10.341 -17.112 1.00 0.00 H ATOM 275 1HB GLU A 16 9.053 9.902 -15.146 1.00 0.00 H ATOM 276 2HB GLU A 16 7.692 9.174 -14.305 1.00 0.00 H ATOM 277 1HG GLU A 16 7.611 7.362 -15.938 1.00 0.00 H ATOM 278 2HG GLU A 16 8.917 8.107 -16.857 1.00 0.00 H ATOM 279 N THR A 17 5.884 8.641 -17.572 1.00 0.00 N ATOM 280 CA THR A 17 4.774 7.760 -17.917 1.00 0.00 C ATOM 281 C THR A 17 5.203 6.299 -17.889 1.00 0.00 C ATOM 282 O THR A 17 6.271 5.946 -18.389 1.00 0.00 O ATOM 283 CB THR A 17 4.202 8.105 -19.304 1.00 0.00 C ATOM 284 OG1 THR A 17 3.717 9.454 -19.302 1.00 0.00 O ATOM 285 CG2 THR A 17 3.064 7.161 -19.661 1.00 0.00 C ATOM 286 H THR A 17 6.652 8.740 -18.221 1.00 0.00 H ATOM 287 HA THR A 17 3.978 7.905 -17.185 1.00 0.00 H ATOM 288 HB THR A 17 4.988 8.017 -20.054 1.00 0.00 H ATOM 289 HG1 THR A 17 4.460 10.060 -19.248 1.00 0.00 H ATOM 290 1HG2 THR A 17 2.672 7.420 -20.645 1.00 0.00 H ATOM 291 2HG2 THR A 17 3.432 6.136 -19.675 1.00 0.00 H ATOM 292 3HG2 THR A 17 2.271 7.252 -18.920 1.00 0.00 H ATOM 293 N LEU A 18 4.363 5.452 -17.303 1.00 0.00 N ATOM 294 CA LEU A 18 4.652 4.026 -17.215 1.00 0.00 C ATOM 295 C LEU A 18 3.937 3.250 -18.314 1.00 0.00 C ATOM 296 O LEU A 18 2.863 3.643 -18.766 1.00 0.00 O ATOM 297 CB LEU A 18 4.233 3.484 -15.842 1.00 0.00 C ATOM 298 CG LEU A 18 4.851 4.192 -14.630 1.00 0.00 C ATOM 299 CD1 LEU A 18 4.282 3.598 -13.349 1.00 0.00 C ATOM 300 CD2 LEU A 18 6.365 4.047 -14.676 1.00 0.00 C ATOM 301 H LEU A 18 3.504 5.805 -16.909 1.00 0.00 H ATOM 302 HA LEU A 18 5.727 3.882 -17.327 1.00 0.00 H ATOM 303 1HB LEU A 18 3.150 3.562 -15.754 1.00 0.00 H ATOM 304 2HB LEU A 18 4.506 2.430 -15.786 1.00 0.00 H ATOM 305 HG LEU A 18 4.588 5.250 -14.653 1.00 0.00 H ATOM 306 1HD1 LEU A 18 4.722 4.101 -12.488 1.00 0.00 H ATOM 307 2HD1 LEU A 18 3.201 3.733 -13.334 1.00 0.00 H ATOM 308 3HD1 LEU A 18 4.517 2.535 -13.306 1.00 0.00 H ATOM 309 1HD2 LEU A 18 6.805 4.551 -13.814 1.00 0.00 H ATOM 310 2HD2 LEU A 18 6.630 2.989 -14.652 1.00 0.00 H ATOM 311 3HD2 LEU A 18 6.747 4.496 -15.593 1.00 0.00 H ATOM 312 N ASP A 19 4.541 2.145 -18.740 1.00 0.00 N ATOM 313 CA ASP A 19 3.880 1.211 -19.643 1.00 0.00 C ATOM 314 C ASP A 19 4.062 -0.228 -19.176 1.00 0.00 C ATOM 315 O ASP A 19 5.052 -0.879 -19.510 1.00 0.00 O ATOM 316 CB ASP A 19 4.424 1.365 -21.066 1.00 0.00 C ATOM 317 CG ASP A 19 3.715 0.468 -22.071 1.00 0.00 C ATOM 318 OD1 ASP A 19 2.993 -0.406 -21.653 1.00 0.00 O ATOM 319 OD2 ASP A 19 3.902 0.665 -23.248 1.00 0.00 O ATOM 320 H ASP A 19 5.482 1.948 -18.429 1.00 0.00 H ATOM 321 HA ASP A 19 2.815 1.441 -19.660 1.00 0.00 H ATOM 322 1HB ASP A 19 4.316 2.402 -21.386 1.00 0.00 H ATOM 323 2HB ASP A 19 5.488 1.129 -21.076 1.00 0.00 H ATOM 324 N VAL A 20 3.100 -0.719 -18.403 1.00 0.00 N ATOM 325 CA VAL A 20 3.262 -1.978 -17.685 1.00 0.00 C ATOM 326 C VAL A 20 2.109 -2.930 -17.977 1.00 0.00 C ATOM 327 O VAL A 20 0.960 -2.655 -17.629 1.00 0.00 O ATOM 328 CB VAL A 20 3.341 -1.722 -16.168 1.00 0.00 C ATOM 329 CG1 VAL A 20 3.560 -3.028 -15.419 1.00 0.00 C ATOM 330 CG2 VAL A 20 4.458 -0.734 -15.868 1.00 0.00 C ATOM 331 H VAL A 20 2.234 -0.207 -18.309 1.00 0.00 H ATOM 332 HA VAL A 20 4.192 -2.445 -18.011 1.00 0.00 H ATOM 333 HB VAL A 20 2.391 -1.312 -15.828 1.00 0.00 H ATOM 334 1HG1 VAL A 20 3.614 -2.828 -14.348 1.00 0.00 H ATOM 335 2HG1 VAL A 20 2.731 -3.706 -15.620 1.00 0.00 H ATOM 336 3HG1 VAL A 20 4.493 -3.485 -15.749 1.00 0.00 H ATOM 337 1HG2 VAL A 20 4.508 -0.557 -14.794 1.00 0.00 H ATOM 338 2HG2 VAL A 20 5.408 -1.142 -16.213 1.00 0.00 H ATOM 339 3HG2 VAL A 20 4.259 0.207 -16.381 1.00 0.00 H ATOM 340 N ASN A 21 2.423 -4.053 -18.615 1.00 0.00 N ATOM 341 CA ASN A 21 1.405 -5.022 -19.004 1.00 0.00 C ATOM 342 C ASN A 21 0.292 -4.361 -19.805 1.00 0.00 C ATOM 343 O ASN A 21 -0.890 -4.627 -19.581 1.00 0.00 O ATOM 344 CB ASN A 21 0.840 -5.722 -17.781 1.00 0.00 C ATOM 345 CG ASN A 21 1.846 -6.613 -17.109 1.00 0.00 C ATOM 346 OD1 ASN A 21 2.829 -7.038 -17.727 1.00 0.00 O ATOM 347 ND2 ASN A 21 1.621 -6.905 -15.853 1.00 0.00 N ATOM 348 H ASN A 21 3.389 -4.239 -18.837 1.00 0.00 H ATOM 349 HA ASN A 21 1.868 -5.770 -19.650 1.00 0.00 H ATOM 350 1HB ASN A 21 0.494 -4.977 -17.063 1.00 0.00 H ATOM 351 2HB ASN A 21 -0.023 -6.322 -18.072 1.00 0.00 H ATOM 352 1HD2 ASN A 21 2.257 -7.494 -15.354 1.00 0.00 H ATOM 353 2HD2 ASN A 21 0.813 -6.539 -15.392 1.00 0.00 H ATOM 354 N LEU A 22 0.674 -3.498 -20.741 1.00 0.00 N ATOM 355 CA LEU A 22 -0.281 -2.894 -21.662 1.00 0.00 C ATOM 356 C LEU A 22 -1.202 -1.919 -20.941 1.00 0.00 C ATOM 357 O LEU A 22 -2.229 -1.506 -21.480 1.00 0.00 O ATOM 358 CB LEU A 22 -1.116 -3.983 -22.349 1.00 0.00 C ATOM 359 CG LEU A 22 -0.319 -5.119 -23.002 1.00 0.00 C ATOM 360 CD1 LEU A 22 -1.281 -6.151 -23.574 1.00 0.00 C ATOM 361 CD2 LEU A 22 0.581 -4.549 -24.089 1.00 0.00 C ATOM 362 H LEU A 22 1.651 -3.255 -20.814 1.00 0.00 H ATOM 363 HA LEU A 22 0.273 -2.345 -22.423 1.00 0.00 H ATOM 364 1HB LEU A 22 -1.781 -4.427 -21.611 1.00 0.00 H ATOM 365 2HB LEU A 22 -1.725 -3.517 -23.123 1.00 0.00 H ATOM 366 HG LEU A 22 0.292 -5.615 -22.248 1.00 0.00 H ATOM 367 1HD1 LEU A 22 -0.715 -6.959 -24.038 1.00 0.00 H ATOM 368 2HD1 LEU A 22 -1.899 -6.556 -22.773 1.00 0.00 H ATOM 369 3HD1 LEU A 22 -1.919 -5.679 -24.321 1.00 0.00 H ATOM 370 1HD2 LEU A 22 1.148 -5.357 -24.553 1.00 0.00 H ATOM 371 2HD2 LEU A 22 -0.030 -4.054 -24.844 1.00 0.00 H ATOM 372 3HD2 LEU A 22 1.270 -3.828 -23.649 1.00 0.00 H ATOM 373 N LEU A 23 -0.828 -1.554 -19.719 1.00 0.00 N ATOM 374 CA LEU A 23 -1.463 -0.440 -19.024 1.00 0.00 C ATOM 375 C LEU A 23 -0.636 0.832 -19.149 1.00 0.00 C ATOM 376 O LEU A 23 0.524 0.872 -18.741 1.00 0.00 O ATOM 377 CB LEU A 23 -1.662 -0.784 -17.543 1.00 0.00 C ATOM 378 CG LEU A 23 -2.158 0.364 -16.654 1.00 0.00 C ATOM 379 CD1 LEU A 23 -3.557 0.776 -17.090 1.00 0.00 C ATOM 380 CD2 LEU A 23 -2.147 -0.080 -15.199 1.00 0.00 C ATOM 381 H LEU A 23 -0.084 -2.060 -19.261 1.00 0.00 H ATOM 382 HA LEU A 23 -2.442 -0.267 -19.472 1.00 0.00 H ATOM 383 1HB LEU A 23 -2.384 -1.596 -17.469 1.00 0.00 H ATOM 384 2HB LEU A 23 -0.713 -1.132 -17.136 1.00 0.00 H ATOM 385 HG LEU A 23 -1.502 1.227 -16.775 1.00 0.00 H ATOM 386 1HD1 LEU A 23 -3.909 1.592 -16.458 1.00 0.00 H ATOM 387 2HD1 LEU A 23 -3.532 1.107 -18.128 1.00 0.00 H ATOM 388 3HD1 LEU A 23 -4.233 -0.073 -16.995 1.00 0.00 H ATOM 389 1HD2 LEU A 23 -2.498 0.736 -14.567 1.00 0.00 H ATOM 390 2HD2 LEU A 23 -2.803 -0.942 -15.076 1.00 0.00 H ATOM 391 3HD2 LEU A 23 -1.132 -0.352 -14.909 1.00 0.00 H ATOM 392 N ILE A 24 -1.240 1.871 -19.717 1.00 0.00 N ATOM 393 CA ILE A 24 -0.569 3.156 -19.872 1.00 0.00 C ATOM 394 C ILE A 24 -0.979 4.128 -18.774 1.00 0.00 C ATOM 395 O ILE A 24 -2.116 4.598 -18.740 1.00 0.00 O ATOM 396 CB ILE A 24 -0.878 3.774 -21.248 1.00 0.00 C ATOM 397 CG1 ILE A 24 -0.578 2.770 -22.364 1.00 0.00 C ATOM 398 CG2 ILE A 24 -0.079 5.053 -21.448 1.00 0.00 C ATOM 399 CD1 ILE A 24 0.841 2.250 -22.352 1.00 0.00 C ATOM 400 H ILE A 24 -2.188 1.767 -20.049 1.00 0.00 H ATOM 401 HA ILE A 24 0.508 2.994 -19.812 1.00 0.00 H ATOM 402 HB ILE A 24 -1.941 4.007 -21.311 1.00 0.00 H ATOM 403 1HG1 ILE A 24 -1.255 1.920 -22.280 1.00 0.00 H ATOM 404 2HG1 ILE A 24 -0.761 3.237 -23.332 1.00 0.00 H ATOM 405 1HG2 ILE A 24 -0.309 5.476 -22.426 1.00 0.00 H ATOM 406 2HG2 ILE A 24 -0.340 5.770 -20.672 1.00 0.00 H ATOM 407 3HG2 ILE A 24 0.986 4.828 -21.392 1.00 0.00 H ATOM 408 1HD1 ILE A 24 0.977 1.544 -23.172 1.00 0.00 H ATOM 409 2HD1 ILE A 24 1.535 3.082 -22.471 1.00 0.00 H ATOM 410 3HD1 ILE A 24 1.035 1.747 -21.406 1.00 0.00 H ATOM 411 N ALA A 25 -0.046 4.425 -17.875 1.00 0.00 N ATOM 412 CA ALA A 25 -0.355 5.197 -16.677 1.00 0.00 C ATOM 413 C ALA A 25 0.364 6.539 -16.686 1.00 0.00 C ATOM 414 O ALA A 25 1.553 6.620 -16.373 1.00 0.00 O ATOM 415 CB ALA A 25 0.014 4.409 -15.428 1.00 0.00 C ATOM 416 H ALA A 25 0.901 4.108 -18.025 1.00 0.00 H ATOM 417 HA ALA A 25 -1.430 5.377 -16.649 1.00 0.00 H ATOM 418 1HB ALA A 25 -0.222 4.999 -14.543 1.00 0.00 H ATOM 419 2HB ALA A 25 -0.552 3.478 -15.405 1.00 0.00 H ATOM 420 3HB ALA A 25 1.080 4.185 -15.441 1.00 0.00 H ATOM 421 N THR A 26 -0.361 7.592 -17.048 1.00 0.00 N ATOM 422 CA THR A 26 0.231 8.913 -17.208 1.00 0.00 C ATOM 423 C THR A 26 0.111 9.731 -15.929 1.00 0.00 C ATOM 424 O THR A 26 -0.728 9.446 -15.076 1.00 0.00 O ATOM 425 CB THR A 26 -0.425 9.676 -18.374 1.00 0.00 C ATOM 426 OG1 THR A 26 -1.816 9.879 -18.092 1.00 0.00 O ATOM 427 CG2 THR A 26 -0.283 8.894 -19.671 1.00 0.00 C ATOM 428 H THR A 26 -1.350 7.472 -17.216 1.00 0.00 H ATOM 429 HA THR A 26 1.289 8.791 -17.447 1.00 0.00 H ATOM 430 HB THR A 26 0.054 10.648 -18.488 1.00 0.00 H ATOM 431 HG1 THR A 26 -1.910 10.554 -17.416 1.00 0.00 H ATOM 432 1HG2 THR A 26 -0.752 9.449 -20.483 1.00 0.00 H ATOM 433 2HG2 THR A 26 0.774 8.748 -19.893 1.00 0.00 H ATOM 434 3HG2 THR A 26 -0.769 7.925 -19.566 1.00 0.00 H ATOM 435 N PRO A 27 0.955 10.749 -15.802 1.00 0.00 N ATOM 436 CA PRO A 27 0.921 11.633 -14.642 1.00 0.00 C ATOM 437 C PRO A 27 -0.479 12.189 -14.416 1.00 0.00 C ATOM 438 O PRO A 27 -1.137 12.643 -15.352 1.00 0.00 O ATOM 439 CB PRO A 27 1.913 12.737 -15.021 1.00 0.00 C ATOM 440 CG PRO A 27 2.896 12.056 -15.911 1.00 0.00 C ATOM 441 CD PRO A 27 2.062 11.116 -16.739 1.00 0.00 C ATOM 442 HA PRO A 27 1.216 11.061 -13.763 1.00 0.00 H ATOM 443 1HB PRO A 27 1.385 13.562 -15.521 1.00 0.00 H ATOM 444 2HB PRO A 27 2.376 13.154 -14.114 1.00 0.00 H ATOM 445 1HG PRO A 27 3.432 12.797 -16.522 1.00 0.00 H ATOM 446 2HG PRO A 27 3.653 11.532 -15.310 1.00 0.00 H ATOM 447 1HD PRO A 27 1.686 11.644 -17.628 1.00 0.00 H ATOM 448 2HD PRO A 27 2.669 10.247 -17.032 1.00 0.00 H ATOM 449 N GLY A 28 -0.931 12.150 -13.167 1.00 0.00 N ATOM 450 CA GLY A 28 -2.245 12.670 -12.811 1.00 0.00 C ATOM 451 C GLY A 28 -3.251 11.542 -12.623 1.00 0.00 C ATOM 452 O GLY A 28 -4.302 11.729 -12.010 1.00 0.00 O ATOM 453 H GLY A 28 -0.347 11.752 -12.445 1.00 0.00 H ATOM 454 1HA GLY A 28 -2.171 13.253 -11.893 1.00 0.00 H ATOM 455 2HA GLY A 28 -2.594 13.345 -13.592 1.00 0.00 H ATOM 456 N ASN A 29 -2.923 10.368 -13.153 1.00 0.00 N ATOM 457 CA ASN A 29 -3.783 9.199 -13.021 1.00 0.00 C ATOM 458 C ASN A 29 -3.275 8.262 -11.933 1.00 0.00 C ATOM 459 O ASN A 29 -2.492 7.351 -12.201 1.00 0.00 O ATOM 460 CB ASN A 29 -3.897 8.467 -14.346 1.00 0.00 C ATOM 461 CG ASN A 29 -4.939 7.384 -14.320 1.00 0.00 C ATOM 462 OD1 ASN A 29 -5.267 6.846 -13.256 1.00 0.00 O ATOM 463 ND2 ASN A 29 -5.467 7.053 -15.471 1.00 0.00 N ATOM 464 H ASN A 29 -2.054 10.284 -13.662 1.00 0.00 H ATOM 465 HA ASN A 29 -4.786 9.536 -12.752 1.00 0.00 H ATOM 466 1HB ASN A 29 -4.149 9.179 -15.134 1.00 0.00 H ATOM 467 2HB ASN A 29 -2.935 8.024 -14.600 1.00 0.00 H ATOM 468 1HD2 ASN A 29 -6.165 6.338 -15.514 1.00 0.00 H ATOM 469 2HD2 ASN A 29 -5.172 7.515 -16.307 1.00 0.00 H ATOM 470 N GLU A 30 -3.726 8.490 -10.703 1.00 0.00 N ATOM 471 CA GLU A 30 -3.179 7.795 -9.545 1.00 0.00 C ATOM 472 C GLU A 30 -3.540 6.314 -9.572 1.00 0.00 C ATOM 473 O GLU A 30 -2.759 5.468 -9.136 1.00 0.00 O ATOM 474 CB GLU A 30 -3.690 8.431 -8.250 1.00 0.00 C ATOM 475 CG GLU A 30 -3.178 9.842 -7.999 1.00 0.00 C ATOM 476 CD GLU A 30 -3.721 10.445 -6.733 1.00 0.00 C ATOM 477 OE1 GLU A 30 -4.618 9.872 -6.162 1.00 0.00 O ATOM 478 OE2 GLU A 30 -3.238 11.479 -6.336 1.00 0.00 O ATOM 479 H GLU A 30 -4.466 9.164 -10.569 1.00 0.00 H ATOM 480 HA GLU A 30 -2.093 7.890 -9.564 1.00 0.00 H ATOM 481 1HB GLU A 30 -4.779 8.468 -8.268 1.00 0.00 H ATOM 482 2HB GLU A 30 -3.397 7.813 -7.401 1.00 0.00 H ATOM 483 1HG GLU A 30 -2.091 9.818 -7.939 1.00 0.00 H ATOM 484 2HG GLU A 30 -3.454 10.473 -8.843 1.00 0.00 H ATOM 485 N ASP A 31 -4.726 6.008 -10.084 1.00 0.00 N ATOM 486 CA ASP A 31 -5.232 4.641 -10.082 1.00 0.00 C ATOM 487 C ASP A 31 -4.445 3.761 -11.045 1.00 0.00 C ATOM 488 O ASP A 31 -4.082 2.632 -10.713 1.00 0.00 O ATOM 489 CB ASP A 31 -6.716 4.618 -10.458 1.00 0.00 C ATOM 490 CG ASP A 31 -7.611 5.208 -9.376 1.00 0.00 C ATOM 491 OD1 ASP A 31 -7.164 5.320 -8.259 1.00 0.00 O ATOM 492 OD2 ASP A 31 -8.732 5.540 -9.677 1.00 0.00 O ATOM 493 H ASP A 31 -5.292 6.743 -10.486 1.00 0.00 H ATOM 494 HA ASP A 31 -5.132 4.236 -9.075 1.00 0.00 H ATOM 495 1HB ASP A 31 -6.867 5.179 -11.380 1.00 0.00 H ATOM 496 2HB ASP A 31 -7.028 3.590 -10.646 1.00 0.00 H ATOM 497 N ALA A 32 -4.182 4.284 -12.238 1.00 0.00 N ATOM 498 CA ALA A 32 -3.414 3.557 -13.240 1.00 0.00 C ATOM 499 C ALA A 32 -1.961 3.396 -12.811 1.00 0.00 C ATOM 500 O ALA A 32 -1.343 2.361 -13.056 1.00 0.00 O ATOM 501 CB ALA A 32 -3.493 4.267 -14.584 1.00 0.00 C ATOM 502 H ALA A 32 -4.525 5.209 -12.455 1.00 0.00 H ATOM 503 HA ALA A 32 -3.854 2.567 -13.363 1.00 0.00 H ATOM 504 1HB ALA A 32 -2.914 3.712 -15.323 1.00 0.00 H ATOM 505 2HB ALA A 32 -4.533 4.323 -14.906 1.00 0.00 H ATOM 506 3HB ALA A 32 -3.088 5.273 -14.489 1.00 0.00 H ATOM 507 N LEU A 33 -1.422 4.427 -12.168 1.00 0.00 N ATOM 508 CA LEU A 33 -0.046 4.394 -11.687 1.00 0.00 C ATOM 509 C LEU A 33 0.119 3.385 -10.558 1.00 0.00 C ATOM 510 O LEU A 33 1.102 2.646 -10.512 1.00 0.00 O ATOM 511 CB LEU A 33 0.380 5.786 -11.203 1.00 0.00 C ATOM 512 CG LEU A 33 0.577 6.841 -12.300 1.00 0.00 C ATOM 513 CD1 LEU A 33 0.682 8.221 -11.665 1.00 0.00 C ATOM 514 CD2 LEU A 33 1.826 6.511 -13.103 1.00 0.00 C ATOM 515 H LEU A 33 -1.979 5.254 -12.009 1.00 0.00 H ATOM 516 HA LEU A 33 0.603 4.103 -12.514 1.00 0.00 H ATOM 517 1HB LEU A 33 -0.377 6.161 -10.515 1.00 0.00 H ATOM 518 2HB LEU A 33 1.320 5.693 -10.660 1.00 0.00 H ATOM 519 HG LEU A 33 -0.290 6.843 -12.962 1.00 0.00 H ATOM 520 1HD1 LEU A 33 0.821 8.970 -12.445 1.00 0.00 H ATOM 521 2HD1 LEU A 33 -0.233 8.438 -11.114 1.00 0.00 H ATOM 522 3HD1 LEU A 33 1.531 8.244 -10.984 1.00 0.00 H ATOM 523 1HD2 LEU A 33 1.966 7.260 -13.883 1.00 0.00 H ATOM 524 2HD2 LEU A 33 2.693 6.510 -12.442 1.00 0.00 H ATOM 525 3HD2 LEU A 33 1.716 5.528 -13.560 1.00 0.00 H ATOM 526 N ARG A 34 -0.848 3.360 -9.648 1.00 0.00 N ATOM 527 CA ARG A 34 -0.818 2.433 -8.523 1.00 0.00 C ATOM 528 C ARG A 34 -0.677 0.994 -8.999 1.00 0.00 C ATOM 529 O ARG A 34 0.098 0.217 -8.441 1.00 0.00 O ATOM 530 CB ARG A 34 -2.081 2.567 -7.685 1.00 0.00 C ATOM 531 CG ARG A 34 -2.092 1.740 -6.410 1.00 0.00 C ATOM 532 CD ARG A 34 -3.306 2.003 -5.595 1.00 0.00 C ATOM 533 NE ARG A 34 -3.356 3.379 -5.126 1.00 0.00 N ATOM 534 CZ ARG A 34 -4.221 4.309 -5.574 1.00 0.00 C ATOM 535 NH1 ARG A 34 -5.101 3.997 -6.500 1.00 0.00 N ATOM 536 NH2 ARG A 34 -4.187 5.535 -5.083 1.00 0.00 N ATOM 537 H ARG A 34 -1.625 3.999 -9.738 1.00 0.00 H ATOM 538 HA ARG A 34 0.039 2.679 -7.895 1.00 0.00 H ATOM 539 1HB ARG A 34 -2.222 3.609 -7.404 1.00 0.00 H ATOM 540 2HB ARG A 34 -2.945 2.268 -8.280 1.00 0.00 H ATOM 541 1HG ARG A 34 -2.073 0.679 -6.663 1.00 0.00 H ATOM 542 2HG ARG A 34 -1.216 1.985 -5.809 1.00 0.00 H ATOM 543 1HD ARG A 34 -4.195 1.816 -6.196 1.00 0.00 H ATOM 544 2HD ARG A 34 -3.311 1.347 -4.726 1.00 0.00 H ATOM 545 HE ARG A 34 -2.695 3.657 -4.413 1.00 0.00 H ATOM 546 1HH1 ARG A 34 -5.127 3.059 -6.876 1.00 0.00 H ATOM 547 2HH1 ARG A 34 -5.749 4.694 -6.836 1.00 0.00 H ATOM 548 1HH2 ARG A 34 -3.510 5.775 -4.370 1.00 0.00 H ATOM 549 2HH2 ARG A 34 -4.835 6.232 -5.418 1.00 0.00 H ATOM 550 N ILE A 35 -1.432 0.641 -10.034 1.00 0.00 N ATOM 551 CA ILE A 35 -1.358 -0.692 -10.619 1.00 0.00 C ATOM 552 C ILE A 35 -0.005 -0.932 -11.274 1.00 0.00 C ATOM 553 O ILE A 35 0.659 -1.933 -11.002 1.00 0.00 O ATOM 554 CB ILE A 35 -2.476 -0.900 -11.656 1.00 0.00 C ATOM 555 CG1 ILE A 35 -3.847 -0.888 -10.975 1.00 0.00 C ATOM 556 CG2 ILE A 35 -2.265 -2.203 -12.412 1.00 0.00 C ATOM 557 CD1 ILE A 35 -5.005 -0.736 -11.934 1.00 0.00 C ATOM 558 H ILE A 35 -2.073 1.316 -10.428 1.00 0.00 H ATOM 559 HA ILE A 35 -1.497 -1.426 -9.824 1.00 0.00 H ATOM 560 HB ILE A 35 -2.471 -0.074 -12.367 1.00 0.00 H ATOM 561 1HG1 ILE A 35 -3.984 -1.815 -10.418 1.00 0.00 H ATOM 562 2HG1 ILE A 35 -3.889 -0.068 -10.257 1.00 0.00 H ATOM 563 1HG2 ILE A 35 -3.064 -2.335 -13.141 1.00 0.00 H ATOM 564 2HG2 ILE A 35 -1.306 -2.174 -12.927 1.00 0.00 H ATOM 565 3HG2 ILE A 35 -2.274 -3.037 -11.709 1.00 0.00 H ATOM 566 1HD1 ILE A 35 -5.942 -0.736 -11.376 1.00 0.00 H ATOM 567 2HD1 ILE A 35 -4.906 0.204 -12.477 1.00 0.00 H ATOM 568 3HD1 ILE A 35 -5.004 -1.565 -12.640 1.00 0.00 H ATOM 569 N ALA A 36 0.399 -0.009 -12.141 1.00 0.00 N ATOM 570 CA ALA A 36 1.636 -0.159 -12.898 1.00 0.00 C ATOM 571 C ALA A 36 2.843 -0.239 -11.973 1.00 0.00 C ATOM 572 O ALA A 36 3.770 -1.014 -12.209 1.00 0.00 O ATOM 573 CB ALA A 36 1.798 0.992 -13.880 1.00 0.00 C ATOM 574 H ALA A 36 -0.165 0.817 -12.278 1.00 0.00 H ATOM 575 HA ALA A 36 1.578 -1.082 -13.477 1.00 0.00 H ATOM 576 1HB ALA A 36 2.726 0.866 -14.438 1.00 0.00 H ATOM 577 2HB ALA A 36 0.957 1.001 -14.573 1.00 0.00 H ATOM 578 3HB ALA A 36 1.828 1.934 -13.334 1.00 0.00 H ATOM 579 N ILE A 37 2.827 0.567 -10.916 1.00 0.00 N ATOM 580 CA ILE A 37 3.952 0.644 -9.993 1.00 0.00 C ATOM 581 C ILE A 37 4.057 -0.618 -9.145 1.00 0.00 C ATOM 582 O ILE A 37 5.139 -1.180 -8.984 1.00 0.00 O ATOM 583 CB ILE A 37 3.826 1.872 -9.074 1.00 0.00 C ATOM 584 CG1 ILE A 37 3.961 3.163 -9.887 1.00 0.00 C ATOM 585 CG2 ILE A 37 4.872 1.822 -7.971 1.00 0.00 C ATOM 586 CD1 ILE A 37 3.456 4.393 -9.168 1.00 0.00 C ATOM 587 H ILE A 37 2.012 1.141 -10.748 1.00 0.00 H ATOM 588 HA ILE A 37 4.869 0.752 -10.574 1.00 0.00 H ATOM 589 HB ILE A 37 2.835 1.887 -8.622 1.00 0.00 H ATOM 590 1HG1 ILE A 37 5.007 3.323 -10.144 1.00 0.00 H ATOM 591 2HG1 ILE A 37 3.407 3.064 -10.821 1.00 0.00 H ATOM 592 1HG2 ILE A 37 4.768 2.698 -7.332 1.00 0.00 H ATOM 593 2HG2 ILE A 37 4.730 0.920 -7.377 1.00 0.00 H ATOM 594 3HG2 ILE A 37 5.868 1.812 -8.415 1.00 0.00 H ATOM 595 1HD1 ILE A 37 3.585 5.267 -9.807 1.00 0.00 H ATOM 596 2HD1 ILE A 37 2.398 4.268 -8.932 1.00 0.00 H ATOM 597 3HD1 ILE A 37 4.019 4.532 -8.246 1.00 0.00 H ATOM 598 N LYS A 38 2.925 -1.057 -8.605 1.00 0.00 N ATOM 599 CA LYS A 38 2.883 -2.264 -7.790 1.00 0.00 C ATOM 600 C LYS A 38 3.410 -3.468 -8.560 1.00 0.00 C ATOM 601 O LYS A 38 4.114 -4.313 -8.006 1.00 0.00 O ATOM 602 CB LYS A 38 1.458 -2.534 -7.304 1.00 0.00 C ATOM 603 CG LYS A 38 1.323 -3.742 -6.388 1.00 0.00 C ATOM 604 CD LYS A 38 -0.103 -3.895 -5.881 1.00 0.00 C ATOM 605 CE LYS A 38 -0.252 -5.133 -5.008 1.00 0.00 C ATOM 606 NZ LYS A 38 -1.643 -5.295 -4.505 1.00 0.00 N ATOM 607 H LYS A 38 2.071 -0.541 -8.764 1.00 0.00 H ATOM 608 HA LYS A 38 3.510 -2.110 -6.911 1.00 0.00 H ATOM 609 1HB LYS A 38 1.086 -1.662 -6.765 1.00 0.00 H ATOM 610 2HB LYS A 38 0.805 -2.691 -8.163 1.00 0.00 H ATOM 611 1HG LYS A 38 1.606 -4.645 -6.931 1.00 0.00 H ATOM 612 2HG LYS A 38 1.992 -3.628 -5.535 1.00 0.00 H ATOM 613 1HD LYS A 38 -0.380 -3.015 -5.299 1.00 0.00 H ATOM 614 2HD LYS A 38 -0.783 -3.977 -6.729 1.00 0.00 H ATOM 615 1HE LYS A 38 0.020 -6.017 -5.583 1.00 0.00 H ATOM 616 2HE LYS A 38 0.423 -5.060 -4.155 1.00 0.00 H ATOM 617 1HZ LYS A 38 -1.699 -6.125 -3.932 1.00 0.00 H ATOM 618 2HZ LYS A 38 -1.899 -4.488 -3.954 1.00 0.00 H ATOM 619 3HZ LYS A 38 -2.276 -5.384 -5.287 1.00 0.00 H ATOM 620 N ILE A 39 3.066 -3.541 -9.842 1.00 0.00 N ATOM 621 CA ILE A 39 3.525 -4.628 -10.698 1.00 0.00 C ATOM 622 C ILE A 39 5.037 -4.592 -10.872 1.00 0.00 C ATOM 623 O ILE A 39 5.710 -5.617 -10.760 1.00 0.00 O ATOM 624 CB ILE A 39 2.847 -4.564 -12.079 1.00 0.00 C ATOM 625 CG1 ILE A 39 1.353 -4.870 -11.955 1.00 0.00 C ATOM 626 CG2 ILE A 39 3.514 -5.531 -13.044 1.00 0.00 C ATOM 627 CD1 ILE A 39 0.548 -4.489 -13.176 1.00 0.00 C ATOM 628 H ILE A 39 2.472 -2.824 -10.233 1.00 0.00 H ATOM 629 HA ILE A 39 3.249 -5.575 -10.232 1.00 0.00 H ATOM 630 HB ILE A 39 2.930 -3.553 -12.478 1.00 0.00 H ATOM 631 1HG1 ILE A 39 1.214 -5.935 -11.774 1.00 0.00 H ATOM 632 2HG1 ILE A 39 0.942 -4.337 -11.097 1.00 0.00 H ATOM 633 1HG2 ILE A 39 3.023 -5.473 -14.015 1.00 0.00 H ATOM 634 2HG2 ILE A 39 4.566 -5.269 -13.154 1.00 0.00 H ATOM 635 3HG2 ILE A 39 3.432 -6.547 -12.656 1.00 0.00 H ATOM 636 1HD1 ILE A 39 -0.501 -4.736 -13.013 1.00 0.00 H ATOM 637 2HD1 ILE A 39 0.644 -3.418 -13.356 1.00 0.00 H ATOM 638 3HD1 ILE A 39 0.918 -5.037 -14.042 1.00 0.00 H ATOM 639 N LEU A 40 5.568 -3.405 -11.148 1.00 0.00 N ATOM 640 CA LEU A 40 7.001 -3.235 -11.351 1.00 0.00 C ATOM 641 C LEU A 40 7.781 -3.578 -10.087 1.00 0.00 C ATOM 642 O LEU A 40 8.876 -4.136 -10.155 1.00 0.00 O ATOM 643 CB LEU A 40 7.309 -1.793 -11.774 1.00 0.00 C ATOM 644 CG LEU A 40 6.830 -1.395 -13.175 1.00 0.00 C ATOM 645 CD1 LEU A 40 6.944 0.115 -13.342 1.00 0.00 C ATOM 646 CD2 LEU A 40 7.658 -2.125 -14.222 1.00 0.00 C ATOM 647 H LEU A 40 4.962 -2.600 -11.217 1.00 0.00 H ATOM 648 HA LEU A 40 7.319 -3.905 -12.150 1.00 0.00 H ATOM 649 1HB LEU A 40 6.845 -1.115 -11.060 1.00 0.00 H ATOM 650 2HB LEU A 40 8.388 -1.643 -11.738 1.00 0.00 H ATOM 651 HG LEU A 40 5.779 -1.664 -13.291 1.00 0.00 H ATOM 652 1HD1 LEU A 40 6.603 0.398 -14.338 1.00 0.00 H ATOM 653 2HD1 LEU A 40 6.327 0.611 -12.593 1.00 0.00 H ATOM 654 3HD1 LEU A 40 7.983 0.417 -13.215 1.00 0.00 H ATOM 655 1HD2 LEU A 40 7.316 -1.842 -15.219 1.00 0.00 H ATOM 656 2HD2 LEU A 40 8.708 -1.855 -14.108 1.00 0.00 H ATOM 657 3HD2 LEU A 40 7.543 -3.201 -14.091 1.00 0.00 H ATOM 658 N LEU A 41 7.210 -3.241 -8.935 1.00 0.00 N ATOM 659 CA LEU A 41 7.839 -3.537 -7.654 1.00 0.00 C ATOM 660 C LEU A 41 7.847 -5.035 -7.377 1.00 0.00 C ATOM 661 O LEU A 41 8.809 -5.569 -6.824 1.00 0.00 O ATOM 662 CB LEU A 41 7.105 -2.806 -6.523 1.00 0.00 C ATOM 663 CG LEU A 41 7.234 -1.277 -6.525 1.00 0.00 C ATOM 664 CD1 LEU A 41 6.274 -0.684 -5.503 1.00 0.00 C ATOM 665 CD2 LEU A 41 8.672 -0.888 -6.216 1.00 0.00 C ATOM 666 H LEU A 41 6.319 -2.768 -8.949 1.00 0.00 H ATOM 667 HA LEU A 41 8.869 -3.182 -7.683 1.00 0.00 H ATOM 668 1HB LEU A 41 6.045 -3.049 -6.582 1.00 0.00 H ATOM 669 2HB LEU A 41 7.487 -3.169 -5.569 1.00 0.00 H ATOM 670 HG LEU A 41 6.957 -0.890 -7.506 1.00 0.00 H ATOM 671 1HD1 LEU A 41 6.366 0.402 -5.505 1.00 0.00 H ATOM 672 2HD1 LEU A 41 5.252 -0.962 -5.759 1.00 0.00 H ATOM 673 3HD1 LEU A 41 6.517 -1.067 -4.512 1.00 0.00 H ATOM 674 1HD2 LEU A 41 8.764 0.198 -6.218 1.00 0.00 H ATOM 675 2HD2 LEU A 41 8.950 -1.274 -5.234 1.00 0.00 H ATOM 676 3HD2 LEU A 41 9.334 -1.310 -6.972 1.00 0.00 H ATOM 677 N LYS A 42 6.770 -5.710 -7.764 1.00 0.00 N ATOM 678 CA LYS A 42 6.621 -7.135 -7.496 1.00 0.00 C ATOM 679 C LYS A 42 7.739 -7.938 -8.149 1.00 0.00 C ATOM 680 O LYS A 42 8.355 -8.793 -7.512 1.00 0.00 O ATOM 681 CB LYS A 42 5.260 -7.633 -7.985 1.00 0.00 C ATOM 682 CG LYS A 42 4.985 -9.102 -7.691 1.00 0.00 C ATOM 683 CD LYS A 42 3.596 -9.508 -8.162 1.00 0.00 C ATOM 684 CE LYS A 42 3.336 -10.986 -7.908 1.00 0.00 C ATOM 685 NZ LYS A 42 1.983 -11.399 -8.369 1.00 0.00 N ATOM 686 H LYS A 42 6.035 -5.222 -8.257 1.00 0.00 H ATOM 687 HA LYS A 42 6.662 -7.291 -6.417 1.00 0.00 H ATOM 688 1HB LYS A 42 4.469 -7.044 -7.521 1.00 0.00 H ATOM 689 2HB LYS A 42 5.186 -7.488 -9.063 1.00 0.00 H ATOM 690 1HG LYS A 42 5.726 -9.720 -8.198 1.00 0.00 H ATOM 691 2HG LYS A 42 5.062 -9.278 -6.619 1.00 0.00 H ATOM 692 1HD LYS A 42 2.846 -8.919 -7.633 1.00 0.00 H ATOM 693 2HD LYS A 42 3.501 -9.311 -9.229 1.00 0.00 H ATOM 694 1HE LYS A 42 4.082 -11.582 -8.431 1.00 0.00 H ATOM 695 2HE LYS A 42 3.420 -11.192 -6.841 1.00 0.00 H ATOM 696 1HZ LYS A 42 1.849 -12.383 -8.183 1.00 0.00 H ATOM 697 2HZ LYS A 42 1.280 -10.866 -7.876 1.00 0.00 H ATOM 698 3HZ LYS A 42 1.898 -11.231 -9.361 1.00 0.00 H ATOM 699 N GLU A 43 7.994 -7.658 -9.422 1.00 0.00 N ATOM 700 CA GLU A 43 9.043 -8.351 -10.162 1.00 0.00 C ATOM 701 C GLU A 43 9.134 -7.842 -11.595 1.00 0.00 C ATOM 702 O GLU A 43 8.137 -7.413 -12.176 1.00 0.00 O ATOM 703 OXT GLU A 43 10.186 -7.857 -12.171 1.00 0.00 O ATOM 704 CB GLU A 43 8.789 -9.860 -10.162 1.00 0.00 C ATOM 705 CG GLU A 43 7.501 -10.281 -10.856 1.00 0.00 C ATOM 706 CD GLU A 43 7.259 -11.763 -10.790 1.00 0.00 C ATOM 707 OE1 GLU A 43 7.995 -12.437 -10.110 1.00 0.00 O ATOM 708 OE2 GLU A 43 6.336 -12.222 -11.421 1.00 0.00 O ATOM 709 H GLU A 43 7.449 -6.949 -9.890 1.00 0.00 H ATOM 710 HA GLU A 43 9.996 -8.169 -9.665 1.00 0.00 H ATOM 711 1HB GLU A 43 9.617 -10.369 -10.656 1.00 0.00 H ATOM 712 2HB GLU A 43 8.748 -10.222 -9.134 1.00 0.00 H ATOM 713 1HG GLU A 43 6.663 -9.766 -10.388 1.00 0.00 H ATOM 714 2HG GLU A 43 7.545 -9.971 -11.899 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE start15_0099_0002.pdb label fa_atr fa_rep fa_sol fa_intra_atr_xover4 fa_intra_rep_xover4 fa_intra_sol_xover4 lk_ball lk_ball_iso lk_ball_bridge lk_ball_bridge_uncpl fa_elec fa_intra_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun_dev fa_dun_rot fa_dun_semi p_aa_pp hxl_tors ref rama_prepro gen_bonded total weights 1 0.55 1 1 0.55 1 0.92 -0.38 -0.33 -0.33 1 1 1.25 1 1 1 1 1.25 0.48 0.69 0.76 0.78 0.61 1 1 0.5 1 NA pose -223.552 28.2398 154.417 -15.3088 10.7106 10.7459 82.4546 -91.0617 -0.31201 -1.9561 -58.6256 -11.0489 0.06795 -27.6594 -3.80231 -1.22051 -3.08347 0 1.76175 2.76895 23.0725 30.2637 -12.6937 6.87393 -24.332 4.00705 0 -119.273 THR:NtermProteinFull_1 -3.37118 0.36265 2.3517 -0.1847 0.12108 0.07041 1.51195 -1.36502 -0 -0 -0.99003 -1.08137 0 0 0 0 0 0 0.07535 0.00622 0.07503 0 0 2.29094 -1.0874 0 0 -1.21437 GLU_2 -2.93651 0.18904 3.46184 -0.46505 0.27459 1.46294 1.44381 -1.60197 -0.02815 -0.14906 -1.33432 -2.9505 0 0 0 0 0 0 -0.0534 0.01911 0 4.01637 -0.30635 0 -2.7348 -0.2335 0 -1.92589 GLU_3 -5.07845 0.50255 4.16358 -0.3373 0.06018 0.39614 1.72348 -2.21611 -0.0461 -0.31119 -0.90229 -0.60486 0 0 0 0 0 0 -0.02601 0.05091 0 3.23334 -0.17445 0 -2.7348 -0.30599 0 -2.60737 VAL_4 -8.62109 1.42505 3.52197 -0.3118 0.27349 0.07113 2.7979 -2.8118 -0 -0 -1.06385 -0.10335 0 0 0 0 0 0 -0.07013 0.00176 0.14225 0 -0.29629 0 1.9342 -0.00835 0 -3.1189 GLU_5 -5.32173 0.25071 6.22137 -0.44168 0.06377 0.8595 3.03062 -2.81955 -0 -0 -2.98022 -0.45496 0 0 0 0 -1.01282 0 0.12068 0.0066 0 3.44458 -0.27478 0 -2.7348 -0.14873 0 -2.19144 GLU_6 -4.73426 0.19738 5.71546 -0.2151 0.0273 0.29772 2.34647 -2.52355 -0.01794 -0.16213 -1.79776 -0.59329 0 0 0 0 0 0 0.05929 0.01596 0 3.01935 -0.27249 0 -2.7348 -0.42795 0 -1.80034 ILE_7 -7.50406 1.03122 4.35484 -0.51658 0.60798 0.10344 2.96236 -2.75995 -0 -0 -2.4028 0.02113 0 0 0 0 0 0 -0.06366 0.08462 0.76702 0 -0.35171 0 0.73287 -0.14153 0 -3.07481 ILE_8 -9.68559 1.31278 4.48957 -0.51502 0.67182 0.10025 2.96434 -3.17581 -0 -0 -1.95057 0.15532 0 0 0 0 0 0 -0.02821 0.04559 0.54923 0 -0.37079 0 0.73287 0.42312 0 -4.28109 LYS_9 -4.50608 0.20882 5.0509 -0.30284 0.02796 0.13148 2.17713 -2.28077 -0 -0 -1.60247 0.02433 0 0 0 0 0 0 -0.01416 0.00709 1.84012 0 0.06951 0 -1.5107 0.5248 0 -0.15489 LYS_10 -4.66162 0.19258 5.38337 -0.30775 0.03094 0.14199 2.34279 -2.38392 -0 -0 -2.00905 -0.03854 0 0 0 0 0 0 -0.04794 0.03092 1.84081 0 -0.08496 0 -1.5107 0.03464 0 -1.04644 LEU_11 -8.83839 1.8341 5.12833 -0.69147 0.90475 0.28702 3.60934 -3.23976 -0 -0 -3.49561 -0.06448 0 0 0 0 0 0 -0.03233 0.62435 1.61148 0 -0.23605 0 0.18072 -0.0161 0 -2.43411 ILE_12 -7.19838 0.86217 4.14797 -0.51843 0.684 0.10303 2.19673 -2.60164 -0 -0 -0.79371 0.03857 0 0 0 0 0 0 0.03957 0.00131 0.76381 0 -0.33944 0 0.73287 0.20536 0 -1.67622 LYS_13 -3.1582 0.1583 3.5237 -0.30529 0.02755 0.13549 1.26299 -1.61919 -0 -0 -0.28769 -0.00676 0 0 0 0 0 0 0.1692 0.01139 1.73353 0 -0.00149 0 -1.5107 -0.02785 0 0.10499 LYS_14 -3.36869 0.18174 3.69206 -0.30557 0.02744 0.13787 1.5096 -1.64357 -0 -0 -0.53545 -0.04015 0 0 0 0 0 0 0.15733 0.0341 1.80406 0 -0.06051 0 -1.5107 -0.27989 0 -0.20031 GLY_15 -2.45121 0.19783 2.79641 -6e-05 0 0 1.16416 -1.35068 -0.01293 -0.11163 -0.98786 -0.38026 0 0 0 0 0 0 -0.15274 0 0 0 -1.50468 0 0.83697 -0.09527 0 -2.05193 GLU_16 -4.00023 0.72531 3.73276 -0.28463 0.07135 0.32598 1.19069 -1.68863 -0.01171 -0.07541 -0.53921 -0.22027 0 0 0 0 0 0 -0.02144 0.0992 0 3.13117 -0.01929 0 -2.7348 -0.12914 0 -0.4483 THR_17 -4.01569 0.43765 1.74231 -0.1694 0.12119 0.0588 0.50808 -1.23785 -0.01293 -0.11163 -0.40881 -0.20166 0 0 0 0 0 0 -0.03203 0.00053 0.25468 0 -0.19281 2.29784 -1.0874 -0.19005 0 -2.23919 LEU_18 -6.63537 0.84084 1.15066 -0.48515 0.44543 0.09254 2.19168 -1.78037 -0 -0 -1.60842 0.25517 0 0 0 0 0 0 0.23738 0.0986 0.46406 0 -0.37994 0 0.18072 -0.18947 0 -5.12165 ASP_19 -2.70668 0.22032 2.59014 -0.25521 0.13757 0.90286 0.71171 -1.40677 -0.01426 -0.05536 -0.7116 -1.00843 0 0 0 0 0 0 0.40975 0.00105 0 1.92097 -0.5854 0 -2.3716 -0.08227 0 -2.30322 VAL_20 -6.56702 1.29302 2.41353 -0.27995 0.19273 0.06378 2.19004 -2.21562 -0 -0 -1.23737 -0.44921 0 0 0 0 0 0 -0.05339 0.09561 0.21703 0 -0.56069 0 1.9342 0.13871 0 -2.82459 ASN_21 -2.83949 1.00922 1.94154 -0.18986 0.0557 0.32911 0.73215 -1.17491 -0.01316 -0.05006 0.34521 -1.00252 0 0 0 0 0 0 0.18012 0.03926 0 2.2372 -1.03722 0 -0.93687 -0.26608 0 -0.64064 LEU_22 -1.93714 0.61642 1.94294 -0.5278 0.35073 0.15827 0.28199 -1.01593 -0.00351 -0.0104 -0.85837 -0.081 0 0 0 0 0 0 0.84497 0.15615 0.1334 0 0.72053 0 0.18072 0.44263 0 1.39458 LEU_23 -5.97425 0.82629 3.56037 -0.62766 0.34097 0.17736 2.44925 -2.50163 -0.0011 -0.00529 -1.46503 0.29642 0 0 0 0 0 0 0.00129 0.16753 0.55328 0 -0.36687 0 0.18072 0.64711 0 -1.74125 ILE_24 -3.68521 0.19411 1.23626 -0.67355 0.99515 0.1431 0.45278 -1.30053 -0.00614 -0.01809 -0.33268 0.31649 0 0 0 0 0 0 0.13707 0.09644 0.90543 0 -0.49737 0 0.73287 -0.2174 0 -1.52128 ALA_25 -5.43877 0.69826 1.46029 -0.0289 0.00552 0 1.65011 -1.92983 -0.01171 -0.07541 -1.56937 -0.44825 0 0 0 0 0 0 -0.04625 0 0 0 0.44462 0 1.8394 0.58374 0 -2.86656 THR_26 -4.02993 0.83212 2.84356 -0.11873 0.05784 0.07916 1.20592 -1.64891 -0.00263 -0.00769 -1.85638 -0.62418 0.00568 0 0 0 0 0 -0.00697 0.0004 0.10927 0 -0.17501 2.28515 -1.0874 1.92493 0 -0.21377 PRO_27 -4.87756 1.08569 2.13015 -0.11918 0.0038 0.08662 0.61846 -1.03205 -0 -0 0.15058 0.25059 0.06227 0 0 0 0 0 -0.08254 0.03094 0.11555 0 -0.85764 0 -2.4119 1.08868 0 -3.75755 GLY_28 -1.78964 0.22429 1.6118 -8e-05 0 0 0.815 -0.89919 -0 -0 -0.16195 -0.38636 0 0 0 0 0 0 -0.13859 0 0 0 -1.52688 0 0.83697 -0.34616 0 -1.76078 ASN_29 -4.99058 0.45561 4.99718 -0.33519 0.15947 0.66147 2.9399 -2.63224 -0 -0 -2.64693 -0.69866 0 0 0 -0.61026 0 0 0.10235 0.11552 0 1.82464 -0.53758 0 -0.93687 -0.18096 0 -2.31313 GLU_30 -4.64274 0.1532 4.20767 -0.21753 0.03208 0.30758 1.61689 -2.17777 -0.02497 -0.15663 -1.41416 -0.59374 0 0 0 0 0 0 -0.01883 0.01197 0 3.04465 -0.35186 0 -2.7348 -0.20265 0 -3.16163 ASP_31 -3.82946 0.27616 4.84849 -0.1108 0.0181 0.34216 2.03507 -2.25985 -0.01971 -0.12295 -1.86026 -0.11624 0 0 0 0 -0.52891 0 0.06538 0.00436 0 1.90424 0.19441 0 -2.3716 -0.10275 0 -1.63419 ALA_32 -5.59397 0.41949 2.82237 -0.02232 0 0 2.19979 -2.43213 -0 -0 -1.61558 -0.35944 0 0 0 -0.61026 0 0 0.03449 0 0 0 -0.10341 0 1.8394 0.01912 0 -3.40247 LEU_33 -10.8899 1.93425 3.869 -0.49626 0.43222 0.11756 3.06628 -3.47465 -0.00975 -0.04988 -2.21493 0.23381 0 0 0 0 0 0 0.0221 0.19655 0.46362 0 -0.24873 0 0.18072 -0.09663 0 -6.96458 ARG_34 -7.16455 0.68299 7.61638 -1.12346 0.62486 0.86304 3.76727 -3.66445 -0.04468 -0.27958 -4.79599 0.40384 0 0 0 0 -1.54174 0 0.08562 0.04759 2.36823 0 -0.13487 0 -1.2888 0.23683 0 -3.34148 ILE_35 -5.72859 0.57193 4.22728 -0.50505 0.54679 0.09639 2.44931 -2.45102 -0 -0 -1.32942 0.17661 0 0 0 0 0 0 0.00778 0.08966 0.4608 0 -0.4787 0 0.73287 0.59555 0 -0.53783 ALA_36 -6.76119 0.49835 2.98613 -0.02199 0 0 2.71927 -2.60607 -0 -0 -1.77888 -0.36054 0 0 0 0 0 0 -0.03447 0 0 0 -0.27867 0 1.8394 0.28852 0 -3.51013 ILE_37 -10.2836 2.02281 3.47395 -0.50934 0.51035 0.10098 3.00122 -3.07802 -0 -0 -2.40757 0.05054 0 0 0 0 0 0 -0.01479 0.2858 0.64144 0 -0.48957 0 0.73287 0.02606 0 -5.93691 LYS_38 -4.87901 0.14701 4.82779 -0.43132 0.0693 0.25131 2.33598 -2.38595 -0.00975 -0.04988 -1.70222 -0.16825 0 0 0 0 0 0 0.01654 0.00316 2.12483 0 -0.04483 0 -1.5107 0.06524 0 -1.34073 ILE_39 -6.65462 0.87334 4.70226 -0.51206 0.56878 0.10082 2.80002 -2.72863 -0 -0 -0.94643 0.09844 0 0 0 0 0 0 -0.06901 0.10537 0.53862 0 -0.45756 0 0.73287 0.13781 0 -0.70996 LEU_40 -5.31901 0.54121 3.35614 -0.50438 0.46613 0.12237 1.71831 -2.1239 -0 -0 -0.44792 0.24433 0 0 0 0 0 0 0.03315 0.12938 0.27911 0 -0.29946 0 0.18072 0.17164 0 -1.45216 LEU_41 -5.53036 0.66586 3.24585 -0.50698 0.53358 0.12163 1.40561 -2.09782 -0 -0 -0.78296 0.24642 0 0 0 0 0 0 -0.04384 0.04089 0.35229 0 -0.29063 0 0.18072 -0.09352 0 -2.55325 LYS_42 -3.13265 0.5746 3.67375 -0.41513 0.06089 0.21823 1.48745 -1.48389 -0.01044 -0.07691 -1.13749 -0.08644 0 0 0 0 0 0 0.01308 0.01188 1.96352 0 0.06619 0 -1.5107 0.0873 0 0.30321 GLU:CtermProteinFull_43 -2.21973 0.51251 3.20298 -0.4182 0.10727 0.72637 0.87072 -1.23976 -0.01044 -0.07691 -0.15782 -0.7372 0 0 0 0 0 0 0 0.00116 0 2.4872 0 0 -2.7348 0.14751 0 0.46086 #END_POSE_ENERGIES_TABLE start15_0099_0002.pdb score_per_res -2.24275 total_score -96.4384
HEEH_KT_rd6_5186.pdb
ATOM 1 N THR A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA THR A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C THR A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O THR A 1 1.707 2.214 -0.892 1.00 0.00 O ATOM 5 CB THR A 1 2.012 -0.770 -1.213 1.00 0.00 C ATOM 6 OG1 THR A 1 1.570 -2.133 -1.160 1.00 0.00 O ATOM 7 CG2 THR A 1 3.533 -0.734 -1.218 1.00 0.00 C ATOM 8 1H THR A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 9 2H THR A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 10 3H THR A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 11 HA THR A 1 1.804 -0.509 0.900 1.00 0.00 H ATOM 12 HB THR A 1 1.641 -0.317 -2.132 1.00 0.00 H ATOM 13 HG1 THR A 1 1.728 -2.553 -2.009 1.00 0.00 H ATOM 14 1HG2 THR A 1 3.907 -1.282 -2.082 1.00 0.00 H ATOM 15 2HG2 THR A 1 3.872 0.301 -1.270 1.00 0.00 H ATOM 16 3HG2 THR A 1 3.911 -1.194 -0.306 1.00 0.00 H ATOM 17 N ILE A 2 2.818 1.735 1.006 1.00 0.00 N ATOM 18 CA ILE A 2 3.328 3.090 1.183 1.00 0.00 C ATOM 19 C ILE A 2 4.271 3.476 0.049 1.00 0.00 C ATOM 20 O ILE A 2 4.330 4.639 -0.352 1.00 0.00 O ATOM 21 CB ILE A 2 4.060 3.229 2.530 1.00 0.00 C ATOM 22 CG1 ILE A 2 4.228 4.706 2.896 1.00 0.00 C ATOM 23 CG2 ILE A 2 5.411 2.533 2.476 1.00 0.00 C ATOM 24 CD1 ILE A 2 4.634 4.936 4.334 1.00 0.00 C ATOM 25 H ILE A 2 3.087 1.019 1.664 1.00 0.00 H ATOM 26 HA ILE A 2 2.483 3.780 1.186 1.00 0.00 H ATOM 27 HB ILE A 2 3.459 2.776 3.318 1.00 0.00 H ATOM 28 1HG1 ILE A 2 4.982 5.157 2.252 1.00 0.00 H ATOM 29 2HG1 ILE A 2 3.290 5.234 2.719 1.00 0.00 H ATOM 30 1HG2 ILE A 2 5.915 2.642 3.436 1.00 0.00 H ATOM 31 2HG2 ILE A 2 5.267 1.476 2.260 1.00 0.00 H ATOM 32 3HG2 ILE A 2 6.021 2.984 1.693 1.00 0.00 H ATOM 33 1HD1 ILE A 2 4.733 6.007 4.517 1.00 0.00 H ATOM 34 2HD1 ILE A 2 3.874 4.523 4.998 1.00 0.00 H ATOM 35 3HD1 ILE A 2 5.588 4.447 4.525 1.00 0.00 H ATOM 36 N ALA A 3 5.005 2.495 -0.463 1.00 0.00 N ATOM 37 CA ALA A 3 5.960 2.734 -1.539 1.00 0.00 C ATOM 38 C ALA A 3 5.251 3.155 -2.821 1.00 0.00 C ATOM 39 O ALA A 3 5.758 3.981 -3.579 1.00 0.00 O ATOM 40 CB ALA A 3 6.804 1.492 -1.784 1.00 0.00 C ATOM 41 H ALA A 3 4.898 1.559 -0.099 1.00 0.00 H ATOM 42 HA ALA A 3 6.632 3.536 -1.232 1.00 0.00 H ATOM 43 1HB ALA A 3 7.512 1.686 -2.589 1.00 0.00 H ATOM 44 2HB ALA A 3 7.349 1.237 -0.875 1.00 0.00 H ATOM 45 3HB ALA A 3 6.156 0.662 -2.063 1.00 0.00 H ATOM 46 N GLU A 4 4.077 2.581 -3.057 1.00 0.00 N ATOM 47 CA GLU A 4 3.326 2.847 -4.278 1.00 0.00 C ATOM 48 C GLU A 4 2.820 4.284 -4.311 1.00 0.00 C ATOM 49 O GLU A 4 2.834 4.933 -5.357 1.00 0.00 O ATOM 50 CB GLU A 4 2.148 1.878 -4.401 1.00 0.00 C ATOM 51 CG GLU A 4 2.542 0.452 -4.761 1.00 0.00 C ATOM 52 CD GLU A 4 1.359 -0.464 -4.901 1.00 0.00 C ATOM 53 OE1 GLU A 4 0.312 -0.133 -4.397 1.00 0.00 O ATOM 54 OE2 GLU A 4 1.502 -1.497 -5.512 1.00 0.00 O ATOM 55 H GLU A 4 3.694 1.944 -2.373 1.00 0.00 H ATOM 56 HA GLU A 4 3.986 2.689 -5.131 1.00 0.00 H ATOM 57 1HB GLU A 4 1.603 1.846 -3.458 1.00 0.00 H ATOM 58 2HB GLU A 4 1.459 2.237 -5.165 1.00 0.00 H ATOM 59 1HG GLU A 4 3.091 0.465 -5.703 1.00 0.00 H ATOM 60 2HG GLU A 4 3.207 0.065 -3.991 1.00 0.00 H ATOM 61 N GLU A 5 2.373 4.775 -3.160 1.00 0.00 N ATOM 62 CA GLU A 5 1.985 6.174 -3.025 1.00 0.00 C ATOM 63 C GLU A 5 3.181 7.098 -3.211 1.00 0.00 C ATOM 64 O GLU A 5 3.076 8.143 -3.853 1.00 0.00 O ATOM 65 CB GLU A 5 1.346 6.421 -1.656 1.00 0.00 C ATOM 66 CG GLU A 5 -0.022 5.778 -1.476 1.00 0.00 C ATOM 67 CD GLU A 5 -0.631 6.065 -0.132 1.00 0.00 C ATOM 68 OE1 GLU A 5 0.044 6.625 0.698 1.00 0.00 O ATOM 69 OE2 GLU A 5 -1.773 5.723 0.066 1.00 0.00 O ATOM 70 H GLU A 5 2.300 4.165 -2.360 1.00 0.00 H ATOM 71 HA GLU A 5 1.243 6.404 -3.790 1.00 0.00 H ATOM 72 1HB GLU A 5 2.001 6.038 -0.874 1.00 0.00 H ATOM 73 2HB GLU A 5 1.235 7.493 -1.494 1.00 0.00 H ATOM 74 1HG GLU A 5 -0.691 6.148 -2.252 1.00 0.00 H ATOM 75 2HG GLU A 5 0.075 4.700 -1.603 1.00 0.00 H ATOM 76 N ALA A 6 4.318 6.708 -2.643 1.00 0.00 N ATOM 77 CA ALA A 6 5.556 7.458 -2.815 1.00 0.00 C ATOM 78 C ALA A 6 6.034 7.410 -4.260 1.00 0.00 C ATOM 79 O ALA A 6 6.550 8.395 -4.788 1.00 0.00 O ATOM 80 CB ALA A 6 6.634 6.922 -1.884 1.00 0.00 C ATOM 81 H ALA A 6 4.324 5.870 -2.080 1.00 0.00 H ATOM 82 HA ALA A 6 5.372 8.499 -2.543 1.00 0.00 H ATOM 83 1HB ALA A 6 7.552 7.492 -2.024 1.00 0.00 H ATOM 84 2HB ALA A 6 6.302 7.017 -0.850 1.00 0.00 H ATOM 85 3HB ALA A 6 6.820 5.873 -2.110 1.00 0.00 H ATOM 86 N LEU A 7 5.860 6.257 -4.898 1.00 0.00 N ATOM 87 CA LEU A 7 6.310 6.064 -6.271 1.00 0.00 C ATOM 88 C LEU A 7 5.571 6.989 -7.229 1.00 0.00 C ATOM 89 O LEU A 7 6.177 7.607 -8.104 1.00 0.00 O ATOM 90 CB LEU A 7 6.101 4.605 -6.697 1.00 0.00 C ATOM 91 CG LEU A 7 6.528 4.262 -8.130 1.00 0.00 C ATOM 92 CD1 LEU A 7 8.015 4.547 -8.299 1.00 0.00 C ATOM 93 CD2 LEU A 7 6.215 2.802 -8.418 1.00 0.00 C ATOM 94 H LEU A 7 5.402 5.494 -4.418 1.00 0.00 H ATOM 95 HA LEU A 7 7.376 6.290 -6.320 1.00 0.00 H ATOM 96 1HB LEU A 7 6.664 3.962 -6.021 1.00 0.00 H ATOM 97 2HB LEU A 7 5.043 4.362 -6.599 1.00 0.00 H ATOM 98 HG LEU A 7 5.985 4.895 -8.832 1.00 0.00 H ATOM 99 1HD1 LEU A 7 8.318 4.304 -9.317 1.00 0.00 H ATOM 100 2HD1 LEU A 7 8.207 5.603 -8.106 1.00 0.00 H ATOM 101 3HD1 LEU A 7 8.584 3.939 -7.596 1.00 0.00 H ATOM 102 1HD2 LEU A 7 6.518 2.559 -9.437 1.00 0.00 H ATOM 103 2HD2 LEU A 7 6.758 2.168 -7.717 1.00 0.00 H ATOM 104 3HD2 LEU A 7 5.144 2.631 -8.307 1.00 0.00 H ATOM 105 N LYS A 8 4.256 7.081 -7.058 1.00 0.00 N ATOM 106 CA LYS A 8 3.437 7.968 -7.875 1.00 0.00 C ATOM 107 C LYS A 8 3.849 9.422 -7.692 1.00 0.00 C ATOM 108 O LYS A 8 3.882 10.193 -8.652 1.00 0.00 O ATOM 109 CB LYS A 8 1.956 7.794 -7.535 1.00 0.00 C ATOM 110 CG LYS A 8 1.352 6.479 -8.008 1.00 0.00 C ATOM 111 CD LYS A 8 -0.107 6.359 -7.593 1.00 0.00 C ATOM 112 CE LYS A 8 -0.705 5.035 -8.043 1.00 0.00 C ATOM 113 NZ LYS A 8 -2.122 4.889 -7.614 1.00 0.00 N ATOM 114 H LYS A 8 3.813 6.522 -6.343 1.00 0.00 H ATOM 115 HA LYS A 8 3.571 7.695 -8.923 1.00 0.00 H ATOM 116 1HB LYS A 8 1.821 7.855 -6.455 1.00 0.00 H ATOM 117 2HB LYS A 8 1.382 8.606 -7.983 1.00 0.00 H ATOM 118 1HG LYS A 8 1.418 6.418 -9.095 1.00 0.00 H ATOM 119 2HG LYS A 8 1.911 5.647 -7.581 1.00 0.00 H ATOM 120 1HD LYS A 8 -0.184 6.433 -6.508 1.00 0.00 H ATOM 121 2HD LYS A 8 -0.679 7.174 -8.037 1.00 0.00 H ATOM 122 1HE LYS A 8 -0.658 4.965 -9.129 1.00 0.00 H ATOM 123 2HE LYS A 8 -0.125 4.213 -7.623 1.00 0.00 H ATOM 124 1HZ LYS A 8 -2.481 3.999 -7.931 1.00 0.00 H ATOM 125 2HZ LYS A 8 -2.176 4.934 -6.606 1.00 0.00 H ATOM 126 3HZ LYS A 8 -2.674 5.635 -8.013 1.00 0.00 H ATOM 127 N ALA A 9 4.164 9.793 -6.455 1.00 0.00 N ATOM 128 CA ALA A 9 4.567 11.158 -6.143 1.00 0.00 C ATOM 129 C ALA A 9 5.851 11.534 -6.870 1.00 0.00 C ATOM 130 O ALA A 9 5.969 12.633 -7.413 1.00 0.00 O ATOM 131 CB ALA A 9 4.741 11.329 -4.640 1.00 0.00 C ATOM 132 H ALA A 9 4.122 9.110 -5.712 1.00 0.00 H ATOM 133 HA ALA A 9 3.773 11.834 -6.462 1.00 0.00 H ATOM 134 1HB ALA A 9 5.042 12.354 -4.423 1.00 0.00 H ATOM 135 2HB ALA A 9 3.798 11.113 -4.138 1.00 0.00 H ATOM 136 3HB ALA A 9 5.507 10.643 -4.283 1.00 0.00 H ATOM 137 N LEU A 10 6.811 10.616 -6.879 1.00 0.00 N ATOM 138 CA LEU A 10 8.093 10.853 -7.531 1.00 0.00 C ATOM 139 C LEU A 10 7.929 10.969 -9.042 1.00 0.00 C ATOM 140 O LEU A 10 8.566 11.806 -9.682 1.00 0.00 O ATOM 141 CB LEU A 10 9.073 9.721 -7.201 1.00 0.00 C ATOM 142 CG LEU A 10 9.515 9.630 -5.735 1.00 0.00 C ATOM 143 CD1 LEU A 10 10.312 8.349 -5.523 1.00 0.00 C ATOM 144 CD2 LEU A 10 10.344 10.854 -5.377 1.00 0.00 C ATOM 145 H LEU A 10 6.648 9.730 -6.421 1.00 0.00 H ATOM 146 HA LEU A 10 8.506 11.789 -7.152 1.00 0.00 H ATOM 147 1HB LEU A 10 8.610 8.772 -7.467 1.00 0.00 H ATOM 148 2HB LEU A 10 9.968 9.847 -7.810 1.00 0.00 H ATOM 149 HG LEU A 10 8.636 9.585 -5.092 1.00 0.00 H ATOM 150 1HD1 LEU A 10 10.626 8.284 -4.481 1.00 0.00 H ATOM 151 2HD1 LEU A 10 9.689 7.489 -5.768 1.00 0.00 H ATOM 152 3HD1 LEU A 10 11.191 8.357 -6.167 1.00 0.00 H ATOM 153 1HD2 LEU A 10 10.657 10.790 -4.335 1.00 0.00 H ATOM 154 2HD2 LEU A 10 11.224 10.899 -6.019 1.00 0.00 H ATOM 155 3HD2 LEU A 10 9.745 11.754 -5.521 1.00 0.00 H ATOM 156 N ARG A 11 7.073 10.124 -9.605 1.00 0.00 N ATOM 157 CA ARG A 11 6.835 10.121 -11.044 1.00 0.00 C ATOM 158 C ARG A 11 6.109 11.384 -11.484 1.00 0.00 C ATOM 159 O ARG A 11 6.317 11.877 -12.593 1.00 0.00 O ATOM 160 CB ARG A 11 6.017 8.903 -11.449 1.00 0.00 C ATOM 161 CG ARG A 11 6.769 7.582 -11.398 1.00 0.00 C ATOM 162 CD ARG A 11 5.881 6.433 -11.710 1.00 0.00 C ATOM 163 NE ARG A 11 6.621 5.184 -11.798 1.00 0.00 N ATOM 164 CZ ARG A 11 6.065 3.980 -12.031 1.00 0.00 C ATOM 165 NH1 ARG A 11 4.765 3.877 -12.197 1.00 0.00 N ATOM 166 NH2 ARG A 11 6.826 2.901 -12.093 1.00 0.00 N ATOM 167 H ARG A 11 6.574 9.466 -9.022 1.00 0.00 H ATOM 168 HA ARG A 11 7.797 10.074 -11.554 1.00 0.00 H ATOM 169 1HB ARG A 11 5.150 8.814 -10.797 1.00 0.00 H ATOM 170 2HB ARG A 11 5.649 9.034 -12.467 1.00 0.00 H ATOM 171 1HG ARG A 11 7.580 7.597 -12.127 1.00 0.00 H ATOM 172 2HG ARG A 11 7.181 7.436 -10.399 1.00 0.00 H ATOM 173 1HD ARG A 11 5.131 6.330 -10.927 1.00 0.00 H ATOM 174 2HD ARG A 11 5.387 6.604 -12.666 1.00 0.00 H ATOM 175 HE ARG A 11 7.624 5.223 -11.675 1.00 0.00 H ATOM 176 1HH1 ARG A 11 4.183 4.702 -12.150 1.00 0.00 H ATOM 177 2HH1 ARG A 11 4.347 2.975 -12.372 1.00 0.00 H ATOM 178 1HH2 ARG A 11 7.825 2.979 -11.965 1.00 0.00 H ATOM 179 2HH2 ARG A 11 6.409 1.999 -12.267 1.00 0.00 H ATOM 180 N ARG A 12 5.255 11.906 -10.610 1.00 0.00 N ATOM 181 CA ARG A 12 4.494 13.113 -10.909 1.00 0.00 C ATOM 182 C ARG A 12 5.311 14.366 -10.618 1.00 0.00 C ATOM 183 O ARG A 12 4.836 15.486 -10.807 1.00 0.00 O ATOM 184 CB ARG A 12 3.208 13.150 -10.097 1.00 0.00 C ATOM 185 CG ARG A 12 2.171 12.111 -10.495 1.00 0.00 C ATOM 186 CD ARG A 12 0.980 12.157 -9.608 1.00 0.00 C ATOM 187 NE ARG A 12 1.305 11.777 -8.243 1.00 0.00 N ATOM 188 CZ ARG A 12 0.498 11.970 -7.182 1.00 0.00 C ATOM 189 NH1 ARG A 12 -0.676 12.539 -7.344 1.00 0.00 N ATOM 190 NH2 ARG A 12 0.886 11.588 -5.978 1.00 0.00 N ATOM 191 H ARG A 12 5.130 11.455 -9.716 1.00 0.00 H ATOM 192 HA ARG A 12 4.232 13.105 -11.968 1.00 0.00 H ATOM 193 1HB ARG A 12 3.438 12.999 -9.044 1.00 0.00 H ATOM 194 2HB ARG A 12 2.745 14.132 -10.194 1.00 0.00 H ATOM 195 1HG ARG A 12 1.844 12.296 -11.518 1.00 0.00 H ATOM 196 2HG ARG A 12 2.610 11.115 -10.428 1.00 0.00 H ATOM 197 1HD ARG A 12 0.577 13.169 -9.593 1.00 0.00 H ATOM 198 2HD ARG A 12 0.222 11.470 -9.982 1.00 0.00 H ATOM 199 HE ARG A 12 2.200 11.335 -8.078 1.00 0.00 H ATOM 200 1HH1 ARG A 12 -0.972 12.832 -8.264 1.00 0.00 H ATOM 201 2HH1 ARG A 12 -1.281 12.685 -6.549 1.00 0.00 H ATOM 202 1HH2 ARG A 12 1.789 11.150 -5.853 1.00 0.00 H ATOM 203 2HH2 ARG A 12 0.282 11.733 -5.183 1.00 0.00 H ATOM 204 N ASN A 13 6.542 14.170 -10.159 1.00 0.00 N ATOM 205 CA ASN A 13 7.421 15.283 -9.821 1.00 0.00 C ATOM 206 C ASN A 13 6.797 16.172 -8.754 1.00 0.00 C ATOM 207 O ASN A 13 6.836 17.399 -8.854 1.00 0.00 O ATOM 208 CB ASN A 13 7.758 16.092 -11.060 1.00 0.00 C ATOM 209 CG ASN A 13 8.517 15.293 -12.083 1.00 0.00 C ATOM 210 OD1 ASN A 13 9.437 14.541 -11.743 1.00 0.00 O ATOM 211 ND2 ASN A 13 8.149 15.442 -13.330 1.00 0.00 N ATOM 212 H ASN A 13 6.878 13.224 -10.041 1.00 0.00 H ATOM 213 HA ASN A 13 8.346 14.880 -9.406 1.00 0.00 H ATOM 214 1HB ASN A 13 6.839 16.463 -11.515 1.00 0.00 H ATOM 215 2HB ASN A 13 8.356 16.959 -10.777 1.00 0.00 H ATOM 216 1HD2 ASN A 13 8.619 14.935 -14.054 1.00 0.00 H ATOM 217 2HD2 ASN A 13 7.400 16.061 -13.559 1.00 0.00 H ATOM 218 N VAL A 14 6.220 15.548 -7.733 1.00 0.00 N ATOM 219 CA VAL A 14 5.692 16.279 -6.587 1.00 0.00 C ATOM 220 C VAL A 14 6.265 15.744 -5.281 1.00 0.00 C ATOM 221 O VAL A 14 6.673 14.586 -5.199 1.00 0.00 O ATOM 222 CB VAL A 14 4.156 16.178 -6.549 1.00 0.00 C ATOM 223 CG1 VAL A 14 3.551 16.785 -7.807 1.00 0.00 C ATOM 224 CG2 VAL A 14 3.736 14.724 -6.397 1.00 0.00 C ATOM 225 H VAL A 14 6.145 14.541 -7.751 1.00 0.00 H ATOM 226 HA VAL A 14 5.971 17.328 -6.688 1.00 0.00 H ATOM 227 HB VAL A 14 3.783 16.755 -5.703 1.00 0.00 H ATOM 228 1HG1 VAL A 14 2.465 16.705 -7.763 1.00 0.00 H ATOM 229 2HG1 VAL A 14 3.835 17.835 -7.876 1.00 0.00 H ATOM 230 3HG1 VAL A 14 3.919 16.249 -8.682 1.00 0.00 H ATOM 231 1HG2 VAL A 14 2.649 14.659 -6.371 1.00 0.00 H ATOM 232 2HG2 VAL A 14 4.114 14.146 -7.241 1.00 0.00 H ATOM 233 3HG2 VAL A 14 4.146 14.322 -5.470 1.00 0.00 H ATOM 234 N THR A 15 6.294 16.595 -4.260 1.00 0.00 N ATOM 235 CA THR A 15 6.824 16.212 -2.958 1.00 0.00 C ATOM 236 C THR A 15 5.790 15.443 -2.146 1.00 0.00 C ATOM 237 O THR A 15 4.630 15.846 -2.061 1.00 0.00 O ATOM 238 CB THR A 15 7.291 17.446 -2.165 1.00 0.00 C ATOM 239 OG1 THR A 15 8.305 18.138 -2.906 1.00 0.00 O ATOM 240 CG2 THR A 15 7.851 17.031 -0.813 1.00 0.00 C ATOM 241 H THR A 15 5.937 17.532 -4.392 1.00 0.00 H ATOM 242 HA THR A 15 7.693 15.572 -3.114 1.00 0.00 H ATOM 243 HB THR A 15 6.449 18.120 -2.012 1.00 0.00 H ATOM 244 HG1 THR A 15 8.424 19.018 -2.540 1.00 0.00 H ATOM 245 1HG2 THR A 15 8.176 17.916 -0.267 1.00 0.00 H ATOM 246 2HG2 THR A 15 7.079 16.515 -0.243 1.00 0.00 H ATOM 247 3HG2 THR A 15 8.700 16.364 -0.960 1.00 0.00 H ATOM 248 N LEU A 16 6.218 14.335 -1.551 1.00 0.00 N ATOM 249 CA LEU A 16 5.347 13.543 -0.690 1.00 0.00 C ATOM 250 C LEU A 16 5.959 13.359 0.693 1.00 0.00 C ATOM 251 O LEU A 16 7.165 13.148 0.824 1.00 0.00 O ATOM 252 CB LEU A 16 5.078 12.173 -1.324 1.00 0.00 C ATOM 253 CG LEU A 16 4.284 11.184 -0.460 1.00 0.00 C ATOM 254 CD1 LEU A 16 3.264 10.458 -1.326 1.00 0.00 C ATOM 255 CD2 LEU A 16 5.242 10.202 0.198 1.00 0.00 C ATOM 256 H LEU A 16 7.170 14.033 -1.698 1.00 0.00 H ATOM 257 HA LEU A 16 4.396 14.067 -0.583 1.00 0.00 H ATOM 258 1HB LEU A 16 4.525 12.321 -2.250 1.00 0.00 H ATOM 259 2HB LEU A 16 6.034 11.708 -1.566 1.00 0.00 H ATOM 260 HG LEU A 16 3.739 11.730 0.310 1.00 0.00 H ATOM 261 1HD1 LEU A 16 2.700 9.755 -0.712 1.00 0.00 H ATOM 262 2HD1 LEU A 16 2.580 11.182 -1.768 1.00 0.00 H ATOM 263 3HD1 LEU A 16 3.780 9.915 -2.117 1.00 0.00 H ATOM 264 1HD2 LEU A 16 4.678 9.500 0.812 1.00 0.00 H ATOM 265 2HD2 LEU A 16 5.787 9.654 -0.572 1.00 0.00 H ATOM 266 3HD2 LEU A 16 5.949 10.746 0.824 1.00 0.00 H ATOM 267 N ARG A 17 5.122 13.439 1.721 1.00 0.00 N ATOM 268 CA ARG A 17 5.584 13.309 3.098 1.00 0.00 C ATOM 269 C ARG A 17 4.771 12.267 3.856 1.00 0.00 C ATOM 270 O ARG A 17 3.586 12.074 3.587 1.00 0.00 O ATOM 271 CB ARG A 17 5.494 14.644 3.821 1.00 0.00 C ATOM 272 CG ARG A 17 6.430 15.721 3.297 1.00 0.00 C ATOM 273 CD ARG A 17 6.279 16.994 4.047 1.00 0.00 C ATOM 274 NE ARG A 17 7.290 17.969 3.671 1.00 0.00 N ATOM 275 CZ ARG A 17 7.178 18.826 2.638 1.00 0.00 C ATOM 276 NH1 ARG A 17 6.097 18.818 1.890 1.00 0.00 N ATOM 277 NH2 ARG A 17 8.155 19.677 2.377 1.00 0.00 N ATOM 278 H ARG A 17 4.140 13.595 1.545 1.00 0.00 H ATOM 279 HA ARG A 17 6.629 12.995 3.083 1.00 0.00 H ATOM 280 1HB ARG A 17 4.477 15.028 3.750 1.00 0.00 H ATOM 281 2HB ARG A 17 5.716 14.500 4.879 1.00 0.00 H ATOM 282 1HG ARG A 17 7.463 15.385 3.396 1.00 0.00 H ATOM 283 2HG ARG A 17 6.210 15.914 2.246 1.00 0.00 H ATOM 284 1HD ARG A 17 5.298 17.422 3.842 1.00 0.00 H ATOM 285 2HD ARG A 17 6.373 16.800 5.115 1.00 0.00 H ATOM 286 HE ARG A 17 8.136 18.005 4.223 1.00 0.00 H ATOM 287 1HH1 ARG A 17 5.350 18.168 2.090 1.00 0.00 H ATOM 288 2HH1 ARG A 17 6.013 19.461 1.116 1.00 0.00 H ATOM 289 1HH2 ARG A 17 8.987 19.684 2.952 1.00 0.00 H ATOM 290 2HH2 ARG A 17 8.072 20.319 1.603 1.00 0.00 H ATOM 291 N PHE A 18 5.416 11.597 4.805 1.00 0.00 N ATOM 292 CA PHE A 18 4.753 10.575 5.606 1.00 0.00 C ATOM 293 C PHE A 18 5.512 10.312 6.900 1.00 0.00 C ATOM 294 O PHE A 18 6.652 10.746 7.062 1.00 0.00 O ATOM 295 CB PHE A 18 4.622 9.275 4.811 1.00 0.00 C ATOM 296 CG PHE A 18 5.938 8.700 4.369 1.00 0.00 C ATOM 297 CD1 PHE A 18 6.556 7.699 5.103 1.00 0.00 C ATOM 298 CD2 PHE A 18 6.561 9.160 3.218 1.00 0.00 C ATOM 299 CE1 PHE A 18 7.767 7.170 4.697 1.00 0.00 C ATOM 300 CE2 PHE A 18 7.770 8.632 2.810 1.00 0.00 C ATOM 301 CZ PHE A 18 8.374 7.636 3.550 1.00 0.00 C ATOM 302 H PHE A 18 6.390 11.801 4.976 1.00 0.00 H ATOM 303 HA PHE A 18 3.751 10.926 5.853 1.00 0.00 H ATOM 304 1HB PHE A 18 4.112 8.528 5.418 1.00 0.00 H ATOM 305 2HB PHE A 18 4.013 9.449 3.926 1.00 0.00 H ATOM 306 HD1 PHE A 18 6.076 7.329 6.009 1.00 0.00 H ATOM 307 HD2 PHE A 18 6.084 9.947 2.633 1.00 0.00 H ATOM 308 HE1 PHE A 18 8.241 6.383 5.284 1.00 0.00 H ATOM 309 HE2 PHE A 18 8.249 9.002 1.903 1.00 0.00 H ATOM 310 HZ PHE A 18 9.328 7.220 3.230 1.00 0.00 H ATOM 311 N THR A 19 4.873 9.598 7.820 1.00 0.00 N ATOM 312 CA THR A 19 5.568 9.031 8.971 1.00 0.00 C ATOM 313 C THR A 19 5.482 7.510 8.972 1.00 0.00 C ATOM 314 O THR A 19 4.391 6.941 8.932 1.00 0.00 O ATOM 315 CB THR A 19 4.997 9.583 10.290 1.00 0.00 C ATOM 316 OG1 THR A 19 5.129 11.010 10.312 1.00 0.00 O ATOM 317 CG2 THR A 19 5.737 8.991 11.480 1.00 0.00 C ATOM 318 H THR A 19 3.879 9.444 7.721 1.00 0.00 H ATOM 319 HA THR A 19 6.617 9.323 8.918 1.00 0.00 H ATOM 320 HB THR A 19 3.940 9.328 10.364 1.00 0.00 H ATOM 321 HG1 THR A 19 4.515 11.397 9.683 1.00 0.00 H ATOM 322 1HG2 THR A 19 5.320 9.391 12.404 1.00 0.00 H ATOM 323 2HG2 THR A 19 5.629 7.906 11.473 1.00 0.00 H ATOM 324 3HG2 THR A 19 6.793 9.250 11.417 1.00 0.00 H ATOM 325 N ILE A 20 6.638 6.858 9.018 1.00 0.00 N ATOM 326 CA ILE A 20 6.695 5.401 9.069 1.00 0.00 C ATOM 327 C ILE A 20 7.488 4.923 10.277 1.00 0.00 C ATOM 328 O ILE A 20 8.634 5.326 10.479 1.00 0.00 O ATOM 329 CB ILE A 20 7.322 4.831 7.784 1.00 0.00 C ATOM 330 CG1 ILE A 20 7.311 3.300 7.818 1.00 0.00 C ATOM 331 CG2 ILE A 20 8.740 5.352 7.607 1.00 0.00 C ATOM 332 CD1 ILE A 20 7.565 2.657 6.474 1.00 0.00 C ATOM 333 H ILE A 20 7.500 7.384 9.018 1.00 0.00 H ATOM 334 HA ILE A 20 5.676 5.018 9.144 1.00 0.00 H ATOM 335 HB ILE A 20 6.725 5.130 6.923 1.00 0.00 H ATOM 336 1HG1 ILE A 20 8.070 2.947 8.515 1.00 0.00 H ATOM 337 2HG1 ILE A 20 6.345 2.951 8.185 1.00 0.00 H ATOM 338 1HG2 ILE A 20 9.168 4.938 6.694 1.00 0.00 H ATOM 339 2HG2 ILE A 20 8.721 6.439 7.538 1.00 0.00 H ATOM 340 3HG2 ILE A 20 9.347 5.052 8.461 1.00 0.00 H ATOM 341 1HD1 ILE A 20 7.541 1.572 6.579 1.00 0.00 H ATOM 342 2HD1 ILE A 20 6.794 2.970 5.769 1.00 0.00 H ATOM 343 3HD1 ILE A 20 8.542 2.963 6.103 1.00 0.00 H ATOM 344 N ASN A 21 6.872 4.061 11.079 1.00 0.00 N ATOM 345 CA ASN A 21 7.485 3.592 12.316 1.00 0.00 C ATOM 346 C ASN A 21 7.946 4.760 13.179 1.00 0.00 C ATOM 347 O ASN A 21 9.016 4.710 13.786 1.00 0.00 O ATOM 348 CB ASN A 21 8.643 2.658 12.017 1.00 0.00 C ATOM 349 CG ASN A 21 8.214 1.428 11.266 1.00 0.00 C ATOM 350 OD1 ASN A 21 7.126 0.889 11.502 1.00 0.00 O ATOM 351 ND2 ASN A 21 9.047 0.973 10.366 1.00 0.00 N ATOM 352 H ASN A 21 5.955 3.721 10.825 1.00 0.00 H ATOM 353 HA ASN A 21 6.734 3.044 12.888 1.00 0.00 H ATOM 354 1HB ASN A 21 9.394 3.186 11.428 1.00 0.00 H ATOM 355 2HB ASN A 21 9.114 2.353 12.952 1.00 0.00 H ATOM 356 1HD2 ASN A 21 8.815 0.158 9.835 1.00 0.00 H ATOM 357 2HD2 ASN A 21 9.917 1.441 10.208 1.00 0.00 H ATOM 358 N LEU A 22 7.133 5.810 13.228 1.00 0.00 N ATOM 359 CA LEU A 22 7.445 6.982 14.039 1.00 0.00 C ATOM 360 C LEU A 22 8.693 7.689 13.528 1.00 0.00 C ATOM 361 O LEU A 22 9.355 8.414 14.270 1.00 0.00 O ATOM 362 CB LEU A 22 7.644 6.575 15.504 1.00 0.00 C ATOM 363 CG LEU A 22 6.515 5.741 16.123 1.00 0.00 C ATOM 364 CD1 LEU A 22 6.882 5.368 17.552 1.00 0.00 C ATOM 365 CD2 LEU A 22 5.216 6.534 16.081 1.00 0.00 C ATOM 366 H LEU A 22 6.278 5.795 12.692 1.00 0.00 H ATOM 367 HA LEU A 22 6.607 7.676 13.978 1.00 0.00 H ATOM 368 1HB LEU A 22 8.563 5.997 15.583 1.00 0.00 H ATOM 369 2HB LEU A 22 7.755 7.479 16.104 1.00 0.00 H ATOM 370 HG LEU A 22 6.394 4.817 15.558 1.00 0.00 H ATOM 371 1HD1 LEU A 22 6.080 4.775 17.992 1.00 0.00 H ATOM 372 2HD1 LEU A 22 7.804 4.786 17.551 1.00 0.00 H ATOM 373 3HD1 LEU A 22 7.026 6.275 18.139 1.00 0.00 H ATOM 374 1HD2 LEU A 22 4.414 5.940 16.520 1.00 0.00 H ATOM 375 2HD2 LEU A 22 5.336 7.458 16.647 1.00 0.00 H ATOM 376 3HD2 LEU A 22 4.968 6.771 15.046 1.00 0.00 H ATOM 377 N THR A 23 9.008 7.475 12.255 1.00 0.00 N ATOM 378 CA THR A 23 10.089 8.205 11.601 1.00 0.00 C ATOM 379 C THR A 23 9.552 9.120 10.508 1.00 0.00 C ATOM 380 O THR A 23 8.831 8.680 9.613 1.00 0.00 O ATOM 381 CB THR A 23 11.127 7.238 11.002 1.00 0.00 C ATOM 382 OG1 THR A 23 11.711 6.451 12.049 1.00 0.00 O ATOM 383 CG2 THR A 23 12.222 8.011 10.283 1.00 0.00 C ATOM 384 H THR A 23 8.487 6.790 11.726 1.00 0.00 H ATOM 385 HA THR A 23 10.598 8.812 12.349 1.00 0.00 H ATOM 386 HB THR A 23 10.637 6.570 10.294 1.00 0.00 H ATOM 387 HG1 THR A 23 11.051 5.851 12.403 1.00 0.00 H ATOM 388 1HG2 THR A 23 12.947 7.311 9.866 1.00 0.00 H ATOM 389 2HG2 THR A 23 11.783 8.601 9.479 1.00 0.00 H ATOM 390 3HG2 THR A 23 12.723 8.674 10.988 1.00 0.00 H ATOM 391 N GLU A 24 9.908 10.399 10.587 1.00 0.00 N ATOM 392 CA GLU A 24 9.442 11.384 9.619 1.00 0.00 C ATOM 393 C GLU A 24 10.332 11.406 8.383 1.00 0.00 C ATOM 394 O GLU A 24 11.542 11.614 8.481 1.00 0.00 O ATOM 395 CB GLU A 24 9.400 12.776 10.254 1.00 0.00 C ATOM 396 CG GLU A 24 8.868 13.869 9.339 1.00 0.00 C ATOM 397 CD GLU A 24 8.806 15.214 10.008 1.00 0.00 C ATOM 398 OE1 GLU A 24 9.137 15.296 11.166 1.00 0.00 O ATOM 399 OE2 GLU A 24 8.427 16.161 9.360 1.00 0.00 O ATOM 400 H GLU A 24 10.518 10.694 11.336 1.00 0.00 H ATOM 401 HA GLU A 24 8.429 11.119 9.316 1.00 0.00 H ATOM 402 1HB GLU A 24 8.773 12.751 11.146 1.00 0.00 H ATOM 403 2HB GLU A 24 10.404 13.063 10.569 1.00 0.00 H ATOM 404 1HG GLU A 24 9.512 13.941 8.463 1.00 0.00 H ATOM 405 2HG GLU A 24 7.871 13.591 9.000 1.00 0.00 H ATOM 406 N ILE A 25 9.726 11.192 7.220 1.00 0.00 N ATOM 407 CA ILE A 25 10.469 11.145 5.967 1.00 0.00 C ATOM 408 C ILE A 25 9.849 12.070 4.925 1.00 0.00 C ATOM 409 O ILE A 25 8.630 12.118 4.771 1.00 0.00 O ATOM 410 CB ILE A 25 10.522 9.709 5.414 1.00 0.00 C ATOM 411 CG1 ILE A 25 11.284 8.795 6.376 1.00 0.00 C ATOM 412 CG2 ILE A 25 11.166 9.693 4.036 1.00 0.00 C ATOM 413 CD1 ILE A 25 11.256 7.335 5.983 1.00 0.00 C ATOM 414 H ILE A 25 8.725 11.059 7.205 1.00 0.00 H ATOM 415 HA ILE A 25 11.492 11.471 6.158 1.00 0.00 H ATOM 416 HB ILE A 25 9.510 9.312 5.336 1.00 0.00 H ATOM 417 1HG1 ILE A 25 12.324 9.113 6.433 1.00 0.00 H ATOM 418 2HG1 ILE A 25 10.861 8.886 7.377 1.00 0.00 H ATOM 419 1HG2 ILE A 25 11.196 8.671 3.661 1.00 0.00 H ATOM 420 2HG2 ILE A 25 10.584 10.313 3.356 1.00 0.00 H ATOM 421 3HG2 ILE A 25 12.181 10.085 4.105 1.00 0.00 H ATOM 422 1HD1 ILE A 25 11.816 6.751 6.713 1.00 0.00 H ATOM 423 2HD1 ILE A 25 10.223 6.986 5.955 1.00 0.00 H ATOM 424 3HD1 ILE A 25 11.707 7.215 4.999 1.00 0.00 H ATOM 425 N THR A 26 10.699 12.802 4.213 1.00 0.00 N ATOM 426 CA THR A 26 10.260 13.577 3.058 1.00 0.00 C ATOM 427 C THR A 26 10.952 13.108 1.784 1.00 0.00 C ATOM 428 O THR A 26 12.177 13.010 1.732 1.00 0.00 O ATOM 429 CB THR A 26 10.524 15.080 3.266 1.00 0.00 C ATOM 430 OG1 THR A 26 9.810 15.537 4.422 1.00 0.00 O ATOM 431 CG2 THR A 26 10.074 15.874 2.050 1.00 0.00 C ATOM 432 H THR A 26 11.673 12.823 4.477 1.00 0.00 H ATOM 433 HA THR A 26 9.184 13.445 2.941 1.00 0.00 H ATOM 434 HB THR A 26 11.590 15.243 3.426 1.00 0.00 H ATOM 435 HG1 THR A 26 10.197 15.149 5.211 1.00 0.00 H ATOM 436 1HG2 THR A 26 10.268 16.934 2.215 1.00 0.00 H ATOM 437 2HG2 THR A 26 10.623 15.536 1.171 1.00 0.00 H ATOM 438 3HG2 THR A 26 9.007 15.722 1.891 1.00 0.00 H ATOM 439 N LEU A 27 10.158 12.819 0.758 1.00 0.00 N ATOM 440 CA LEU A 27 10.692 12.361 -0.518 1.00 0.00 C ATOM 441 C LEU A 27 10.559 13.436 -1.588 1.00 0.00 C ATOM 442 O LEU A 27 9.460 13.708 -2.075 1.00 0.00 O ATOM 443 CB LEU A 27 9.966 11.087 -0.971 1.00 0.00 C ATOM 444 CG LEU A 27 9.984 9.922 0.026 1.00 0.00 C ATOM 445 CD1 LEU A 27 9.115 8.788 -0.502 1.00 0.00 C ATOM 446 CD2 LEU A 27 11.417 9.458 0.240 1.00 0.00 C ATOM 447 H LEU A 27 9.158 12.918 0.867 1.00 0.00 H ATOM 448 HA LEU A 27 11.750 12.128 -0.387 1.00 0.00 H ATOM 449 1HB LEU A 27 8.926 11.334 -1.174 1.00 0.00 H ATOM 450 2HB LEU A 27 10.422 10.738 -1.897 1.00 0.00 H ATOM 451 HG LEU A 27 9.562 10.250 0.977 1.00 0.00 H ATOM 452 1HD1 LEU A 27 9.127 7.960 0.207 1.00 0.00 H ATOM 453 2HD1 LEU A 27 8.092 9.142 -0.627 1.00 0.00 H ATOM 454 3HD1 LEU A 27 9.503 8.450 -1.462 1.00 0.00 H ATOM 455 1HD2 LEU A 27 11.429 8.630 0.950 1.00 0.00 H ATOM 456 2HD2 LEU A 27 11.839 9.128 -0.709 1.00 0.00 H ATOM 457 3HD2 LEU A 27 12.011 10.282 0.635 1.00 0.00 H ATOM 458 N THR A 28 11.681 14.046 -1.953 1.00 0.00 N ATOM 459 CA THR A 28 11.682 15.143 -2.912 1.00 0.00 C ATOM 460 C THR A 28 12.160 14.677 -4.281 1.00 0.00 C ATOM 461 O THR A 28 12.539 13.519 -4.456 1.00 0.00 O ATOM 462 CB THR A 28 12.565 16.306 -2.424 1.00 0.00 C ATOM 463 OG1 THR A 28 13.931 15.876 -2.355 1.00 0.00 O ATOM 464 CG2 THR A 28 12.116 16.776 -1.048 1.00 0.00 C ATOM 465 H THR A 28 12.558 13.741 -1.553 1.00 0.00 H ATOM 466 HA THR A 28 10.663 15.519 -3.007 1.00 0.00 H ATOM 467 HB THR A 28 12.494 17.137 -3.126 1.00 0.00 H ATOM 468 HG1 THR A 28 14.508 16.644 -2.369 1.00 0.00 H ATOM 469 1HG2 THR A 28 12.751 17.599 -0.720 1.00 0.00 H ATOM 470 2HG2 THR A 28 11.081 17.114 -1.099 1.00 0.00 H ATOM 471 3HG2 THR A 28 12.193 15.953 -0.340 1.00 0.00 H ATOM 472 N ILE A 29 12.140 15.586 -5.250 1.00 0.00 N ATOM 473 CA ILE A 29 12.424 15.235 -6.637 1.00 0.00 C ATOM 474 C ILE A 29 13.871 15.542 -6.998 1.00 0.00 C ATOM 475 O ILE A 29 14.370 16.635 -6.727 1.00 0.00 O ATOM 476 CB ILE A 29 11.483 15.985 -7.597 1.00 0.00 C ATOM 477 CG1 ILE A 29 10.025 15.798 -7.172 1.00 0.00 C ATOM 478 CG2 ILE A 29 11.690 15.507 -9.026 1.00 0.00 C ATOM 479 CD1 ILE A 29 9.601 14.351 -7.067 1.00 0.00 C ATOM 480 H ILE A 29 11.923 16.545 -5.020 1.00 0.00 H ATOM 481 HA ILE A 29 12.251 14.165 -6.765 1.00 0.00 H ATOM 482 HB ILE A 29 11.691 17.054 -7.548 1.00 0.00 H ATOM 483 1HG1 ILE A 29 9.865 16.272 -6.204 1.00 0.00 H ATOM 484 2HG1 ILE A 29 9.370 16.293 -7.889 1.00 0.00 H ATOM 485 1HG2 ILE A 29 11.017 16.047 -9.691 1.00 0.00 H ATOM 486 2HG2 ILE A 29 12.721 15.690 -9.325 1.00 0.00 H ATOM 487 3HG2 ILE A 29 11.480 14.439 -9.086 1.00 0.00 H ATOM 488 1HD1 ILE A 29 8.555 14.299 -6.761 1.00 0.00 H ATOM 489 2HD1 ILE A 29 9.720 13.865 -8.036 1.00 0.00 H ATOM 490 3HD1 ILE A 29 10.219 13.843 -6.328 1.00 0.00 H ATOM 491 N GLY A 30 14.542 14.573 -7.611 1.00 0.00 N ATOM 492 CA GLY A 30 15.935 14.737 -8.006 1.00 0.00 C ATOM 493 C GLY A 30 16.878 14.147 -6.965 1.00 0.00 C ATOM 494 O GLY A 30 18.086 14.381 -7.004 1.00 0.00 O ATOM 495 H GLY A 30 14.074 13.699 -7.807 1.00 0.00 H ATOM 496 1HA GLY A 30 16.100 14.250 -8.968 1.00 0.00 H ATOM 497 2HA GLY A 30 16.153 15.796 -8.141 1.00 0.00 H ATOM 498 N VAL A 31 16.317 13.383 -6.033 1.00 0.00 N ATOM 499 CA VAL A 31 17.104 12.775 -4.967 1.00 0.00 C ATOM 500 C VAL A 31 17.142 11.258 -5.108 1.00 0.00 C ATOM 501 O VAL A 31 16.104 10.597 -5.083 1.00 0.00 O ATOM 502 CB VAL A 31 16.518 13.145 -3.591 1.00 0.00 C ATOM 503 CG1 VAL A 31 17.322 12.492 -2.477 1.00 0.00 C ATOM 504 CG2 VAL A 31 16.498 14.657 -3.428 1.00 0.00 C ATOM 505 H VAL A 31 15.321 13.221 -6.064 1.00 0.00 H ATOM 506 HA VAL A 31 18.124 13.157 -5.027 1.00 0.00 H ATOM 507 HB VAL A 31 15.501 12.758 -3.524 1.00 0.00 H ATOM 508 1HG1 VAL A 31 16.893 12.765 -1.512 1.00 0.00 H ATOM 509 2HG1 VAL A 31 17.292 11.409 -2.593 1.00 0.00 H ATOM 510 3HG1 VAL A 31 18.355 12.835 -2.524 1.00 0.00 H ATOM 511 1HG2 VAL A 31 16.082 14.912 -2.453 1.00 0.00 H ATOM 512 2HG2 VAL A 31 17.515 15.045 -3.501 1.00 0.00 H ATOM 513 3HG2 VAL A 31 15.884 15.100 -4.211 1.00 0.00 H ATOM 514 N GLU A 32 18.345 10.712 -5.257 1.00 0.00 N ATOM 515 CA GLU A 32 18.515 9.279 -5.460 1.00 0.00 C ATOM 516 C GLU A 32 18.034 8.490 -4.248 1.00 0.00 C ATOM 517 O GLU A 32 17.470 7.405 -4.386 1.00 0.00 O ATOM 518 CB GLU A 32 19.983 8.951 -5.744 1.00 0.00 C ATOM 519 CG GLU A 32 20.490 9.454 -7.088 1.00 0.00 C ATOM 520 CD GLU A 32 21.950 9.169 -7.306 1.00 0.00 C ATOM 521 OE1 GLU A 32 22.598 8.746 -6.379 1.00 0.00 O ATOM 522 OE2 GLU A 32 22.418 9.373 -8.401 1.00 0.00 O ATOM 523 H GLU A 32 19.161 11.307 -5.229 1.00 0.00 H ATOM 524 HA GLU A 32 17.928 8.979 -6.328 1.00 0.00 H ATOM 525 1HB GLU A 32 20.610 9.386 -4.966 1.00 0.00 H ATOM 526 2HB GLU A 32 20.127 7.871 -5.715 1.00 0.00 H ATOM 527 1HG GLU A 32 19.916 8.978 -7.882 1.00 0.00 H ATOM 528 2HG GLU A 32 20.321 10.528 -7.149 1.00 0.00 H ATOM 529 N GLU A 33 18.259 9.042 -3.061 1.00 0.00 N ATOM 530 CA GLU A 33 17.876 8.378 -1.821 1.00 0.00 C ATOM 531 C GLU A 33 16.365 8.197 -1.736 1.00 0.00 C ATOM 532 O GLU A 33 15.879 7.196 -1.211 1.00 0.00 O ATOM 533 CB GLU A 33 18.372 9.175 -0.613 1.00 0.00 C ATOM 534 CG GLU A 33 19.885 9.184 -0.445 1.00 0.00 C ATOM 535 CD GLU A 33 20.340 10.031 0.711 1.00 0.00 C ATOM 536 OE1 GLU A 33 19.525 10.723 1.273 1.00 0.00 O ATOM 537 OE2 GLU A 33 21.504 9.985 1.033 1.00 0.00 O ATOM 538 H GLU A 33 18.707 9.946 -3.016 1.00 0.00 H ATOM 539 HA GLU A 33 18.348 7.394 -1.796 1.00 0.00 H ATOM 540 1HB GLU A 33 18.040 10.210 -0.698 1.00 0.00 H ATOM 541 2HB GLU A 33 17.937 8.765 0.298 1.00 0.00 H ATOM 542 1HG GLU A 33 20.229 8.161 -0.288 1.00 0.00 H ATOM 543 2HG GLU A 33 20.340 9.554 -1.362 1.00 0.00 H ATOM 544 N ALA A 34 15.629 9.172 -2.259 1.00 0.00 N ATOM 545 CA ALA A 34 14.171 9.124 -2.239 1.00 0.00 C ATOM 546 C ALA A 34 13.647 7.971 -3.084 1.00 0.00 C ATOM 547 O ALA A 34 12.699 7.286 -2.698 1.00 0.00 O ATOM 548 CB ALA A 34 13.591 10.444 -2.727 1.00 0.00 C ATOM 549 H ALA A 34 16.089 9.966 -2.679 1.00 0.00 H ATOM 550 HA ALA A 34 13.843 8.981 -1.209 1.00 0.00 H ATOM 551 1HB ALA A 34 12.502 10.392 -2.708 1.00 0.00 H ATOM 552 2HB ALA A 34 13.928 11.252 -2.078 1.00 0.00 H ATOM 553 3HB ALA A 34 13.926 10.633 -3.746 1.00 0.00 H ATOM 554 N GLU A 35 14.268 7.759 -4.239 1.00 0.00 N ATOM 555 CA GLU A 35 13.886 6.668 -5.127 1.00 0.00 C ATOM 556 C GLU A 35 14.277 5.318 -4.541 1.00 0.00 C ATOM 557 O GLU A 35 13.531 4.344 -4.648 1.00 0.00 O ATOM 558 CB GLU A 35 14.535 6.845 -6.501 1.00 0.00 C ATOM 559 CG GLU A 35 14.004 8.027 -7.299 1.00 0.00 C ATOM 560 CD GLU A 35 14.689 8.192 -8.627 1.00 0.00 C ATOM 561 OE1 GLU A 35 15.653 7.504 -8.866 1.00 0.00 O ATOM 562 OE2 GLU A 35 14.248 9.006 -9.404 1.00 0.00 O ATOM 563 H GLU A 35 15.026 8.370 -4.509 1.00 0.00 H ATOM 564 HA GLU A 35 12.803 6.692 -5.257 1.00 0.00 H ATOM 565 1HB GLU A 35 15.610 6.979 -6.381 1.00 0.00 H ATOM 566 2HB GLU A 35 14.381 5.944 -7.095 1.00 0.00 H ATOM 567 1HG GLU A 35 12.936 7.888 -7.469 1.00 0.00 H ATOM 568 2HG GLU A 35 14.134 8.936 -6.713 1.00 0.00 H ATOM 569 N LYS A 36 15.451 5.265 -3.921 1.00 0.00 N ATOM 570 CA LYS A 36 15.958 4.025 -3.345 1.00 0.00 C ATOM 571 C LYS A 36 15.047 3.519 -2.234 1.00 0.00 C ATOM 572 O LYS A 36 14.789 2.321 -2.127 1.00 0.00 O ATOM 573 CB LYS A 36 17.377 4.223 -2.812 1.00 0.00 C ATOM 574 CG LYS A 36 18.446 4.330 -3.892 1.00 0.00 C ATOM 575 CD LYS A 36 19.813 4.619 -3.290 1.00 0.00 C ATOM 576 CE LYS A 36 20.897 4.635 -4.357 1.00 0.00 C ATOM 577 NZ LYS A 36 22.226 5.000 -3.796 1.00 0.00 N ATOM 578 H LYS A 36 16.004 6.105 -3.844 1.00 0.00 H ATOM 579 HA LYS A 36 16.001 3.271 -4.132 1.00 0.00 H ATOM 580 1HB LYS A 36 17.417 5.132 -2.211 1.00 0.00 H ATOM 581 2HB LYS A 36 17.641 3.389 -2.161 1.00 0.00 H ATOM 582 1HG LYS A 36 18.495 3.394 -4.449 1.00 0.00 H ATOM 583 2HG LYS A 36 18.186 5.131 -4.583 1.00 0.00 H ATOM 584 1HD LYS A 36 19.792 5.588 -2.789 1.00 0.00 H ATOM 585 2HD LYS A 36 20.055 3.854 -2.552 1.00 0.00 H ATOM 586 1HE LYS A 36 20.968 3.651 -4.818 1.00 0.00 H ATOM 587 2HE LYS A 36 20.634 5.356 -5.132 1.00 0.00 H ATOM 588 1HZ LYS A 36 22.915 5.000 -4.534 1.00 0.00 H ATOM 589 2HZ LYS A 36 22.176 5.921 -3.382 1.00 0.00 H ATOM 590 3HZ LYS A 36 22.489 4.328 -3.090 1.00 0.00 H ATOM 591 N TRP A 37 14.563 4.440 -1.408 1.00 0.00 N ATOM 592 CA TRP A 37 13.657 4.092 -0.321 1.00 0.00 C ATOM 593 C TRP A 37 12.402 3.406 -0.846 1.00 0.00 C ATOM 594 O TRP A 37 11.968 2.387 -0.307 1.00 0.00 O ATOM 595 CB TRP A 37 13.266 5.344 0.468 1.00 0.00 C ATOM 596 CG TRP A 37 12.385 5.058 1.646 1.00 0.00 C ATOM 597 CD1 TRP A 37 12.788 4.814 2.925 1.00 0.00 C ATOM 598 CD2 TRP A 37 10.939 4.986 1.661 1.00 0.00 C ATOM 599 NE1 TRP A 37 11.699 4.594 3.731 1.00 0.00 N ATOM 600 CE2 TRP A 37 10.559 4.697 2.974 1.00 0.00 C ATOM 601 CE3 TRP A 37 9.952 5.141 0.680 1.00 0.00 C ATOM 602 CZ2 TRP A 37 9.229 4.557 3.339 1.00 0.00 C ATOM 603 CZ3 TRP A 37 8.618 5.002 1.046 1.00 0.00 C ATOM 604 CH2 TRP A 37 8.267 4.718 2.342 1.00 0.00 C ATOM 605 H TRP A 37 14.828 5.406 -1.538 1.00 0.00 H ATOM 606 HA TRP A 37 14.173 3.409 0.355 1.00 0.00 H ATOM 607 1HB TRP A 37 14.166 5.844 0.826 1.00 0.00 H ATOM 608 2HB TRP A 37 12.744 6.039 -0.189 1.00 0.00 H ATOM 609 HD1 TRP A 37 13.824 4.795 3.258 1.00 0.00 H ATOM 610 HE1 TRP A 37 11.730 4.389 4.719 1.00 0.00 H ATOM 611 HE3 TRP A 37 10.225 5.370 -0.350 1.00 0.00 H ATOM 612 HZ2 TRP A 37 8.930 4.331 4.363 1.00 0.00 H ATOM 613 HZ3 TRP A 37 7.856 5.124 0.276 1.00 0.00 H ATOM 614 HH2 TRP A 37 7.211 4.615 2.594 1.00 0.00 H ATOM 615 N VAL A 38 11.823 3.970 -1.900 1.00 0.00 N ATOM 616 CA VAL A 38 10.598 3.432 -2.480 1.00 0.00 C ATOM 617 C VAL A 38 10.802 2.006 -2.975 1.00 0.00 C ATOM 618 O VAL A 38 9.963 1.135 -2.749 1.00 0.00 O ATOM 619 CB VAL A 38 10.128 4.317 -3.650 1.00 0.00 C ATOM 620 CG1 VAL A 38 8.985 3.648 -4.397 1.00 0.00 C ATOM 621 CG2 VAL A 38 9.707 5.683 -3.129 1.00 0.00 C ATOM 622 H VAL A 38 12.243 4.792 -2.311 1.00 0.00 H ATOM 623 HA VAL A 38 9.824 3.429 -1.712 1.00 0.00 H ATOM 624 HB VAL A 38 10.949 4.434 -4.357 1.00 0.00 H ATOM 625 1HG1 VAL A 38 8.665 4.287 -5.221 1.00 0.00 H ATOM 626 2HG1 VAL A 38 9.320 2.689 -4.792 1.00 0.00 H ATOM 627 3HG1 VAL A 38 8.148 3.490 -3.717 1.00 0.00 H ATOM 628 1HG2 VAL A 38 9.376 6.303 -3.962 1.00 0.00 H ATOM 629 2HG2 VAL A 38 8.890 5.565 -2.418 1.00 0.00 H ATOM 630 3HG2 VAL A 38 10.553 6.161 -2.635 1.00 0.00 H ATOM 631 N GLU A 39 11.922 1.775 -3.651 1.00 0.00 N ATOM 632 CA GLU A 39 12.235 0.455 -4.187 1.00 0.00 C ATOM 633 C GLU A 39 12.362 -0.575 -3.072 1.00 0.00 C ATOM 634 O GLU A 39 11.899 -1.708 -3.205 1.00 0.00 O ATOM 635 CB GLU A 39 13.531 0.504 -5.000 1.00 0.00 C ATOM 636 CG GLU A 39 13.414 1.245 -6.324 1.00 0.00 C ATOM 637 CD GLU A 39 14.714 1.304 -7.078 1.00 0.00 C ATOM 638 OE1 GLU A 39 15.715 0.907 -6.531 1.00 0.00 O ATOM 639 OE2 GLU A 39 14.706 1.746 -8.203 1.00 0.00 O ATOM 640 H GLU A 39 12.574 2.533 -3.799 1.00 0.00 H ATOM 641 HA GLU A 39 11.428 0.151 -4.854 1.00 0.00 H ATOM 642 1HB GLU A 39 14.311 0.988 -4.413 1.00 0.00 H ATOM 643 2HB GLU A 39 13.864 -0.512 -5.214 1.00 0.00 H ATOM 644 1HG GLU A 39 12.670 0.746 -6.944 1.00 0.00 H ATOM 645 2HG GLU A 39 13.065 2.259 -6.132 1.00 0.00 H ATOM 646 N GLU A 40 12.990 -0.175 -1.972 1.00 0.00 N ATOM 647 CA GLU A 40 13.205 -1.073 -0.843 1.00 0.00 C ATOM 648 C GLU A 40 11.887 -1.459 -0.187 1.00 0.00 C ATOM 649 O GLU A 40 11.690 -2.609 0.206 1.00 0.00 O ATOM 650 CB GLU A 40 14.128 -0.421 0.190 1.00 0.00 C ATOM 651 CG GLU A 40 15.581 -0.309 -0.247 1.00 0.00 C ATOM 652 CD GLU A 40 16.440 0.409 0.756 1.00 0.00 C ATOM 653 OE1 GLU A 40 15.904 0.933 1.702 1.00 0.00 O ATOM 654 OE2 GLU A 40 17.635 0.433 0.576 1.00 0.00 O ATOM 655 H GLU A 40 13.329 0.774 -1.917 1.00 0.00 H ATOM 656 HA GLU A 40 13.692 -1.978 -1.208 1.00 0.00 H ATOM 657 1HB GLU A 40 13.768 0.583 0.416 1.00 0.00 H ATOM 658 2HB GLU A 40 14.100 -0.995 1.116 1.00 0.00 H ATOM 659 1HG GLU A 40 15.982 -1.311 -0.401 1.00 0.00 H ATOM 660 2HG GLU A 40 15.624 0.219 -1.199 1.00 0.00 H ATOM 661 N LEU A 41 10.984 -0.490 -0.071 1.00 0.00 N ATOM 662 CA LEU A 41 9.686 -0.723 0.551 1.00 0.00 C ATOM 663 C LEU A 41 8.728 -1.406 -0.417 1.00 0.00 C ATOM 664 O LEU A 41 7.867 -2.184 -0.007 1.00 0.00 O ATOM 665 CB LEU A 41 9.081 0.603 1.029 1.00 0.00 C ATOM 666 CG LEU A 41 9.450 1.026 2.457 1.00 0.00 C ATOM 667 CD1 LEU A 41 8.757 0.108 3.454 1.00 0.00 C ATOM 668 CD2 LEU A 41 10.961 0.976 2.626 1.00 0.00 C ATOM 669 H LEU A 41 11.203 0.432 -0.421 1.00 0.00 H ATOM 670 HA LEU A 41 9.827 -1.369 1.417 1.00 0.00 H ATOM 671 1HB LEU A 41 9.403 1.395 0.355 1.00 0.00 H ATOM 672 2HB LEU A 41 7.995 0.529 0.976 1.00 0.00 H ATOM 673 HG LEU A 41 9.098 2.042 2.638 1.00 0.00 H ATOM 674 1HD1 LEU A 41 9.020 0.408 4.469 1.00 0.00 H ATOM 675 2HD1 LEU A 41 7.677 0.178 3.324 1.00 0.00 H ATOM 676 3HD1 LEU A 41 9.078 -0.920 3.286 1.00 0.00 H ATOM 677 1HD2 LEU A 41 11.224 1.278 3.641 1.00 0.00 H ATOM 678 2HD2 LEU A 41 11.315 -0.039 2.446 1.00 0.00 H ATOM 679 3HD2 LEU A 41 11.430 1.655 1.913 1.00 0.00 H ATOM 680 N LEU A 42 8.881 -1.110 -1.703 1.00 0.00 N ATOM 681 CA LEU A 42 7.982 -1.636 -2.723 1.00 0.00 C ATOM 682 C LEU A 42 8.201 -3.128 -2.933 1.00 0.00 C ATOM 683 O LEU A 42 7.245 -3.890 -3.086 1.00 0.00 O ATOM 684 CB LEU A 42 8.190 -0.891 -4.048 1.00 0.00 C ATOM 685 CG LEU A 42 7.214 -1.254 -5.175 1.00 0.00 C ATOM 686 CD1 LEU A 42 5.791 -0.938 -4.737 1.00 0.00 C ATOM 687 CD2 LEU A 42 7.583 -0.483 -6.434 1.00 0.00 C ATOM 688 H LEU A 42 9.641 -0.504 -1.980 1.00 0.00 H ATOM 689 HA LEU A 42 6.955 -1.475 -2.395 1.00 0.00 H ATOM 690 1HB LEU A 42 8.100 0.178 -3.864 1.00 0.00 H ATOM 691 2HB LEU A 42 9.199 -1.094 -4.406 1.00 0.00 H ATOM 692 HG LEU A 42 7.271 -2.324 -5.376 1.00 0.00 H ATOM 693 1HD1 LEU A 42 5.097 -1.195 -5.537 1.00 0.00 H ATOM 694 2HD1 LEU A 42 5.547 -1.517 -3.846 1.00 0.00 H ATOM 695 3HD1 LEU A 42 5.707 0.125 -4.513 1.00 0.00 H ATOM 696 1HD2 LEU A 42 6.890 -0.741 -7.235 1.00 0.00 H ATOM 697 2HD2 LEU A 42 7.525 0.588 -6.235 1.00 0.00 H ATOM 698 3HD2 LEU A 42 8.598 -0.741 -6.735 1.00 0.00 H ATOM 699 N LYS A 43 9.463 -3.541 -2.938 1.00 0.00 N ATOM 700 CA LYS A 43 9.813 -4.934 -3.195 1.00 0.00 C ATOM 701 C LYS A 43 9.326 -5.840 -2.072 1.00 0.00 C ATOM 702 O LYS A 43 9.234 -5.421 -0.918 1.00 0.00 O ATOM 703 OXT LYS A 43 9.026 -6.978 -2.307 1.00 0.00 O ATOM 704 CB LYS A 43 11.325 -5.084 -3.372 1.00 0.00 C ATOM 705 CG LYS A 43 11.781 -6.495 -3.720 1.00 0.00 C ATOM 706 CD LYS A 43 13.281 -6.545 -3.970 1.00 0.00 C ATOM 707 CE LYS A 43 13.738 -7.953 -4.320 1.00 0.00 C ATOM 708 NZ LYS A 43 15.204 -8.017 -4.566 1.00 0.00 N ATOM 709 H LYS A 43 10.200 -2.875 -2.759 1.00 0.00 H ATOM 710 HA LYS A 43 9.322 -5.251 -4.116 1.00 0.00 H ATOM 711 1HB LYS A 43 11.666 -4.417 -4.165 1.00 0.00 H ATOM 712 2HB LYS A 43 11.830 -4.786 -2.453 1.00 0.00 H ATOM 713 1HG LYS A 43 11.535 -7.169 -2.899 1.00 0.00 H ATOM 714 2HG LYS A 43 11.261 -6.835 -4.614 1.00 0.00 H ATOM 715 1HD LYS A 43 13.536 -5.874 -4.792 1.00 0.00 H ATOM 716 2HD LYS A 43 13.810 -6.213 -3.077 1.00 0.00 H ATOM 717 1HE LYS A 43 13.490 -8.629 -3.503 1.00 0.00 H ATOM 718 2HE LYS A 43 13.217 -8.293 -5.214 1.00 0.00 H ATOM 719 1HZ LYS A 43 15.466 -8.966 -4.795 1.00 0.00 H ATOM 720 2HZ LYS A 43 15.444 -7.407 -5.335 1.00 0.00 H ATOM 721 3HZ LYS A 43 15.699 -7.723 -3.737 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE start16_0063_0001.pdb label fa_atr fa_rep fa_sol fa_intra_atr_xover4 fa_intra_rep_xover4 fa_intra_sol_xover4 lk_ball lk_ball_iso lk_ball_bridge lk_ball_bridge_uncpl fa_elec fa_intra_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun_dev fa_dun_rot fa_dun_semi p_aa_pp hxl_tors ref rama_prepro gen_bonded total weights 1 0.55 1 1 0.55 1 0.92 -0.38 -0.33 -0.33 1 1 1.25 1 1 1 1 1.25 0.48 0.69 0.76 0.78 0.61 1 1 0.5 1 NA pose -215.488 31.5128 129.039 -16.0756 10.4257 8.56721 73.0137 -84.8041 -0.34917 -2.24884 -44.1876 -9.65962 0 -19.647 -6.25593 0 0 0 1.92606 2.57791 25.0448 31.2829 -11.9821 13.7844 -17.7505 -5.76558 0 -107.039 THR:NtermProteinFull_1 -3.79691 0.50243 2.63449 -0.18263 0.12443 0.06711 1.53563 -1.52997 -0.05365 -0.27799 -0.8204 -1.05216 0 0 0 0 0 0 0.17817 0.00027 0.06883 0 0 2.28604 -1.0874 0 0 -1.4037 ILE_2 -5.16994 1.11113 0.68118 -0.59589 0.55718 0.16692 1.29074 -1.34332 -0.01269 -0.13865 -0.77655 0.35004 0 0 0 0 0 0 -0.06624 0.02916 1.56624 0 0.00126 0 0.73287 -0.01533 0 -1.63188 ALA_3 -6.68767 1.89324 1.95742 -0.02259 0 0 2.43738 -2.46169 -0 -0 -0.99932 -0.36625 0 0 0 0 0 0 -0.05227 0 0 0 -0.18734 0 1.8394 -0.22222 0 -2.87189 GLU_4 -5.6843 0.52741 5.58565 -0.21177 0.02338 0.28527 2.33492 -2.60698 -0.05365 -0.27799 -1.55602 -0.55146 0 0 0 0 0 0 0.53276 0.14167 0 3.10206 -0.26594 0 -2.7348 -0.40762 0 -1.8174 GLU_5 -4.18901 0.15585 4.40547 -0.21402 0.02681 0.29143 1.88566 -2.24178 -0.01269 -0.13865 -1.21898 -0.58145 0 0 0 0 0 0 0.24717 0.0424 0 3.02651 -0.2211 0 -2.7348 -0.36998 0 -1.84116 ALA_6 -6.20509 1.2301 2.67578 -0.02227 0 0 2.58056 -2.59662 -0 -0 -1.7322 -0.35967 0 0 0 0 0 0 -0.05165 0 0 0 -0.15287 0 1.8394 -0.30865 0 -3.10319 LEU_7 -7.39096 0.68895 5.35089 -0.7119 0.52278 0.27398 2.93453 -3.02448 -0 -0 -2.42078 0.16503 0 0 0 0 0 0 0.10576 0.00128 0.89396 0 -0.2343 0 0.18072 -0.01348 0 -2.67801 LYS_8 -5.51737 0.33686 6.08485 -0.30693 0.02812 0.13782 2.80702 -2.79458 -0 -0 -2.34547 -0.00747 0 0 0 0 0 0 -0.03323 0.0128 1.71784 0 -0.02028 0 -1.5107 -0.00879 0 -1.41952 ALA_9 -6.75508 0.80531 4.85095 -0.0213 0 0 3.66979 -3.28919 -0 -0 -2.13872 -0.34898 0 0 0 0 0 0 -0.02192 0 0 0 -0.13911 0 1.8394 -0.07208 0 -1.62092 LEU_10 -7.17641 0.71898 3.51161 -0.50807 0.55907 0.11932 2.25098 -2.69853 -0 -0 -1.24027 0.26815 0 0 0 0 0 0 -0.02577 0.03607 0.37719 0 -0.27457 0 0.18072 0.04644 0 -3.8551 ARG_11 -4.6649 0.36917 4.36527 -0.4436 0.04938 0.22202 1.58207 -2.07392 -0 -0 -0.66171 0.34215 0 0 0 0 0 0 -0.01392 0.16162 2.01598 0 -0.16681 0 -1.2888 -0.16711 0 -0.37311 ARG_12 -5.92044 0.69771 5.07484 -0.69348 0.12936 0.49202 2.15152 -2.6616 -0 -0 -1.42904 0.40599 0 0 0 0 0 0 -0.0817 0.09736 1.71759 0 -0.02337 0 -1.2888 -0.2187 0 -1.55074 ASN_13 -4.11201 0.85206 3.12492 -0.19239 0.03188 0.32857 1.33086 -1.91992 -0 -0 -0.78297 -1.0069 0 0 0 0 0 0 0.10533 0.0052 0 1.96988 -1.01581 0 -0.93687 -0.26494 0 -2.48309 VAL_14 -5.06416 0.5965 2.99347 -0.32018 0.27952 0.06986 1.51665 -2.23622 -0 -0 -0.69541 -0.44229 0 0 0 0 0 0 0.02108 0.00502 0.37322 0 -0.36731 0 1.9342 -0.40274 0 -1.7388 THR_15 -3.22039 0.15086 1.02414 -0.16635 0.111 0.05945 0.27342 -0.99178 -0 -0 -0.43846 0.15522 0 0 0 0 0 0 -0.00154 0.02594 0.08981 0 -0.00382 2.2852 -1.0874 -0.25747 0 -1.99215 LEU_16 -5.94695 1.39139 2.02224 -0.63773 0.46309 0.22012 1.66249 -1.91066 -0 -0 -1.69174 0.04919 0 0 0 0 0 0 0.04433 0.80313 1.29842 0 -0.02713 0 0.18072 -0.11578 0 -2.19486 ARG_17 -4.09775 0.42166 2.07004 -0.60506 0.16754 0.37963 0.53632 -1.2356 -0.00202 -0.02724 -0.82986 -0.02608 0 0 0 0 0 0 0.04752 0.02303 2.40083 0 -0.19544 0 -1.2888 -0.26289 0 -2.52416 PHE_18 -8.03977 2.87516 0.80627 -1.01155 0.13701 0.59834 1.6958 -1.71409 -0 -0 -1.53742 -0.21826 0 0 0 0 0 0 0.70206 0.02397 0 1.55809 -0.48646 0 1.0402 -0.01167 0 -3.5823 THR_19 -3.49672 0.27984 1.37445 -0.17695 0.11158 0.06486 0.36533 -1.24533 -0 -0 -0.02629 -0.26375 0 0 0 0 0 0 0.00164 0.01509 0.15016 0 -0.07691 2.29126 -1.0874 0.21827 0 -1.50087 ILE_20 -6.23274 1.08931 2.74514 -0.6113 1.5036 0.14849 2.07017 -2.09952 -0 -0 -1.30079 -0.19768 0 0 0 0 0 0 0.05096 0.02462 1.89992 0 -0.70238 0 0.73287 -0.12247 0 -1.00183 ASN_21 -2.66428 0.73436 2.32576 -0.19318 0.03049 0.32963 0.65217 -1.14959 -0 -0 0.17333 -1.02388 0 0 0 0 0 0 -0.08256 0.04977 0 1.86115 -1.0269 0 -0.93687 -0.40603 0 -1.32662 LEU_22 -2.17289 0.60743 1.63467 -0.53381 0.37121 0.16352 0.13783 -1.01707 -0 -0 -0.04655 -0.07671 0 0 0 0 0 0 0.17517 0.1346 0.20523 0 0.59624 0 0.18072 0.34492 0 0.70451 THR_23 -4.60715 0.64033 4.66028 -0.17791 0.12811 0.06499 2.77296 -2.429 -0 -0 -2.03715 -0.29154 0 0 0 0 0 0 -0.06137 0.00876 0.13254 0 -0.10265 2.30705 -1.0874 0.5974 0 0.51826 GLU_24 -2.21653 0.16076 1.53657 -0.31329 0.06304 0.39486 0.32233 -0.84414 -0 -0 -0.32587 -0.35543 0 0 0 0 0 0 -0.06298 0.00403 0 2.8884 0.12261 0 -2.7348 -0.0532 0 -1.41364 ILE_25 -6.23584 0.93302 2.17446 -0.47369 0.78213 0.09014 1.85021 -1.8444 -0 -0 -1.4591 0.13418 0 0 0 0 0 0 0.52125 0.11574 0.49416 0 -0.55841 0 0.73287 -0.14841 0 -2.89169 THR_26 -3.98552 0.50837 1.25276 -0.17557 0.11782 0.0631 0.41033 -1.13055 -0.0044 -0.03386 -0.57234 -0.29008 0 0 0 0 0 0 -0.06456 0.00171 0.1619 0 -0.14647 2.30726 -1.0874 -0.09785 0 -2.76534 LEU_27 -7.06926 1.56273 0.51943 -0.50778 0.39877 0.12958 1.81439 -1.71622 -0 -0 -1.77702 0.03809 0 0 0 0 0 0 -0.07371 0.05688 1.08535 0 -0.22957 0 0.18072 0.11114 0 -5.47648 THR_28 -3.743 0.40365 1.68617 -0.10445 0.06488 0.06639 0.66619 -1.38906 -0.01991 -0.06586 -0.55582 -0.83871 0 0 0 0 0 0 0.42403 0.00127 0.16493 0 -0.65427 2.30758 -1.0874 0.23784 0 -2.43555 ILE_29 -4.7436 0.78074 1.16683 -0.65162 0.96016 0.12533 0.70337 -1.44263 -0 -0 0.59213 0.55516 0 0 0 0 0 0 -0.06798 0.29414 0.9203 0 -0.64404 0 0.73287 -0.15475 0 -0.87357 GLY_30 -1.02332 0.12192 0.88507 -6e-05 0 0 0.04983 -0.53414 -0.0111 -0.03655 0.32687 -0.38364 0 0 0 0 0 0 -0.16576 0 0 0 -1.5229 0 0.83697 -0.56501 0 -2.02182 VAL_31 -4.58192 0.65231 3.02364 -0.28051 0.19736 0.06255 2.09118 -2.00765 -0.01639 -0.05605 -0.06073 -0.28321 0 0 0 0 0 0 -0.03973 0.00185 0.18037 0 -0.67699 0 1.9342 -0.49636 0 -0.35609 GLU_32 -3.30355 0.26327 3.59462 -0.21715 0.03151 0.30611 1.59163 -1.66279 -0.05031 -0.29485 -1.31317 -0.59529 0 0 0 0 0 0 -0.05695 0.00122 0 3.00911 -0.32817 0 -2.7348 -0.45152 0 -2.21107 GLU_33 -3.60525 0.35592 3.36271 -0.21796 0.03237 0.30895 1.46192 -1.73886 -0 -0 -0.58135 -0.59897 0 0 0 0 0 0 -0.03513 0.00534 0 3.01961 -0.3429 0 -2.7348 -0.4826 0 -1.791 ALA_34 -5.49975 0.731 2.49198 -0.02174 0 0 2.36162 -2.25893 -0 -0 -0.82156 -0.35311 0 0 0 0 0 0 0.06019 0 0 0 -0.14898 0 1.8394 -0.28071 0 -1.90062 GLU_35 -4.80526 0.28723 4.94664 -0.21456 0.03077 0.30096 2.31171 -2.42706 -0.01227 -0.13343 -1.32768 -0.588 0 0 0 0 0 0 -0.03822 0.0015 0 3.08081 -0.26997 0 -2.7348 -0.22498 0 -1.8166 LYS_36 -5.29115 0.35883 6.35528 -0.30435 0.02564 0.13215 2.60717 -2.77112 -0.04474 -0.28399 -1.97119 -0.02408 0 0 0 0 0 0 0.04408 0.19235 1.73675 0 -0.0003 0 -1.5107 -0.2935 0 -1.04286 TRP_37 -10.6011 1.8349 2.81995 -1.35059 0.19554 0.54298 2.57065 -2.95347 -0.01845 -0.16008 -2.32335 -0.21816 0 0 0 0 0 0 -0.02716 0.02942 0 1.7322 -0.24845 0 1.6906 0.00221 0 -6.48235 VAL_38 -8.63609 1.68777 3.22193 -0.31229 0.27651 0.07107 3.23878 -3.04134 -0 -0 -2.28243 -0.05805 0 0 0 0 0 0 -0.05003 0.00447 0.08223 0 -0.23977 0 1.9342 0.27494 0 -3.8281 GLU_39 -4.57307 0.17733 5.30538 -0.21466 0.02767 0.29598 2.26343 -2.45466 -0.01667 -0.15593 -1.48397 -0.58743 0 0 0 0 0 0 -0.04667 0.01232 0 3.00636 -0.22373 0 -2.7348 -0.003 0 -1.40612 GLU_40 -4.00171 0.2153 4.57666 -0.21451 0.02869 0.3005 1.78524 -2.17278 -0.01934 -0.1639 -0.43174 -0.5909 0 0 0 0 0 0 -0.02652 0.03616 0 3.02873 -0.25491 0 -2.7348 -0.36607 0 -1.0059 LEU_41 -5.88793 0.83639 2.65951 -0.75351 1.04649 0.20346 1.68289 -1.98933 -0 -0 -0.5013 0.36028 0 0 0 0 0 0 -0.04873 0.08709 2.66104 0 -0.27942 0 0.18072 -0.28912 0 -0.03146 LEU_42 -5.09288 0.92023 2.47339 -0.70539 0.70045 0.26377 1.51628 -1.87104 -0 -0 -0.83365 0.16766 0 0 0 0 0 0 -0.03914 0.08899 0.92174 0 -0.24241 0 0.18072 -0.06731 0 -1.61857 LYS:CtermProteinFull_43 -1.77819 0.04502 3.02643 -0.48105 0.09028 0.42596 1.23976 -1.28256 -0.00089 -0.00382 0.06844 -0.07118 0 0 0 0 0 0 0 0.00168 1.7283 0 0 0 -1.5107 0.0236 0 1.52111 #END_POSE_ENERGIES_TABLE start16_0063_0001.pdb score_per_res -2.21021 total_score -95.0391
HEEH_KT_rd6_5303.pdb
ATOM 1 N THR A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA THR A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C THR A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O THR A 1 2.854 1.769 0.824 1.00 0.00 O ATOM 5 CB THR A 1 2.012 -0.770 -1.213 1.00 0.00 C ATOM 6 OG1 THR A 1 1.550 -2.126 -1.174 1.00 0.00 O ATOM 7 CG2 THR A 1 3.533 -0.757 -1.204 1.00 0.00 C ATOM 8 1H THR A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 9 2H THR A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 10 3H THR A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 11 HA THR A 1 1.804 -0.509 0.900 1.00 0.00 H ATOM 12 HB THR A 1 1.656 -0.305 -2.132 1.00 0.00 H ATOM 13 HG1 THR A 1 1.719 -2.546 -2.021 1.00 0.00 H ATOM 14 1HG2 THR A 1 3.907 -1.305 -2.068 1.00 0.00 H ATOM 15 2HG2 THR A 1 3.888 0.273 -1.245 1.00 0.00 H ATOM 16 3HG2 THR A 1 3.895 -1.228 -0.291 1.00 0.00 H ATOM 17 N GLU A 2 1.525 2.237 -0.930 1.00 0.00 N ATOM 18 CA GLU A 2 2.072 3.573 -1.135 1.00 0.00 C ATOM 19 C GLU A 2 1.956 4.416 0.128 1.00 0.00 C ATOM 20 O GLU A 2 2.893 5.121 0.504 1.00 0.00 O ATOM 21 CB GLU A 2 1.355 4.271 -2.293 1.00 0.00 C ATOM 22 CG GLU A 2 1.881 5.664 -2.611 1.00 0.00 C ATOM 23 CD GLU A 2 1.276 6.248 -3.857 1.00 0.00 C ATOM 24 OE1 GLU A 2 0.465 5.591 -4.465 1.00 0.00 O ATOM 25 OE2 GLU A 2 1.625 7.352 -4.201 1.00 0.00 O ATOM 26 H GLU A 2 0.760 1.924 -1.509 1.00 0.00 H ATOM 27 HA GLU A 2 3.127 3.479 -1.398 1.00 0.00 H ATOM 28 1HB GLU A 2 1.445 3.666 -3.195 1.00 0.00 H ATOM 29 2HB GLU A 2 0.293 4.360 -2.063 1.00 0.00 H ATOM 30 1HG GLU A 2 1.663 6.323 -1.771 1.00 0.00 H ATOM 31 2HG GLU A 2 2.963 5.614 -2.727 1.00 0.00 H ATOM 32 N GLU A 3 0.802 4.338 0.781 1.00 0.00 N ATOM 33 CA GLU A 3 0.519 5.176 1.940 1.00 0.00 C ATOM 34 C GLU A 3 1.486 4.882 3.080 1.00 0.00 C ATOM 35 O GLU A 3 1.953 5.795 3.762 1.00 0.00 O ATOM 36 CB GLU A 3 -0.921 4.965 2.413 1.00 0.00 C ATOM 37 CG GLU A 3 -1.981 5.418 1.419 1.00 0.00 C ATOM 38 CD GLU A 3 -2.244 4.404 0.341 1.00 0.00 C ATOM 39 OE1 GLU A 3 -1.639 3.359 0.375 1.00 0.00 O ATOM 40 OE2 GLU A 3 -3.050 4.674 -0.517 1.00 0.00 O ATOM 41 H GLU A 3 0.101 3.683 0.466 1.00 0.00 H ATOM 42 HA GLU A 3 0.631 6.221 1.648 1.00 0.00 H ATOM 43 1HB GLU A 3 -1.085 3.907 2.618 1.00 0.00 H ATOM 44 2HB GLU A 3 -1.081 5.508 3.344 1.00 0.00 H ATOM 45 1HG GLU A 3 -2.910 5.608 1.957 1.00 0.00 H ATOM 46 2HG GLU A 3 -1.660 6.352 0.962 1.00 0.00 H ATOM 47 N GLU A 4 1.783 3.603 3.283 1.00 0.00 N ATOM 48 CA GLU A 4 2.685 3.185 4.349 1.00 0.00 C ATOM 49 C GLU A 4 4.113 3.640 4.073 1.00 0.00 C ATOM 50 O GLU A 4 4.840 4.026 4.988 1.00 0.00 O ATOM 51 CB GLU A 4 2.646 1.665 4.516 1.00 0.00 C ATOM 52 CG GLU A 4 1.329 1.125 5.056 1.00 0.00 C ATOM 53 CD GLU A 4 1.293 -0.377 5.115 1.00 0.00 C ATOM 54 OE1 GLU A 4 2.178 -0.995 4.575 1.00 0.00 O ATOM 55 OE2 GLU A 4 0.378 -0.906 5.700 1.00 0.00 O ATOM 56 H GLU A 4 1.373 2.902 2.683 1.00 0.00 H ATOM 57 HA GLU A 4 2.349 3.637 5.284 1.00 0.00 H ATOM 58 1HB GLU A 4 2.833 1.188 3.553 1.00 0.00 H ATOM 59 2HB GLU A 4 3.439 1.352 5.195 1.00 0.00 H ATOM 60 1HG GLU A 4 1.171 1.520 6.059 1.00 0.00 H ATOM 61 2HG GLU A 4 0.516 1.479 4.424 1.00 0.00 H ATOM 62 N LEU A 5 4.509 3.592 2.805 1.00 0.00 N ATOM 63 CA LEU A 5 5.848 4.006 2.405 1.00 0.00 C ATOM 64 C LEU A 5 6.039 5.505 2.591 1.00 0.00 C ATOM 65 O LEU A 5 7.126 5.963 2.946 1.00 0.00 O ATOM 66 CB LEU A 5 6.103 3.630 0.940 1.00 0.00 C ATOM 67 CG LEU A 5 6.173 2.127 0.641 1.00 0.00 C ATOM 68 CD1 LEU A 5 6.183 1.908 -0.866 1.00 0.00 C ATOM 69 CD2 LEU A 5 7.419 1.539 1.287 1.00 0.00 C ATOM 70 H LEU A 5 3.865 3.259 2.102 1.00 0.00 H ATOM 71 HA LEU A 5 6.573 3.481 3.026 1.00 0.00 H ATOM 72 1HB LEU A 5 5.306 4.052 0.329 1.00 0.00 H ATOM 73 2HB LEU A 5 7.047 4.075 0.626 1.00 0.00 H ATOM 74 HG LEU A 5 5.288 1.634 1.044 1.00 0.00 H ATOM 75 1HD1 LEU A 5 6.233 0.840 -1.078 1.00 0.00 H ATOM 76 2HD1 LEU A 5 5.272 2.321 -1.299 1.00 0.00 H ATOM 77 3HD1 LEU A 5 7.050 2.405 -1.300 1.00 0.00 H ATOM 78 1HD2 LEU A 5 7.469 0.471 1.075 1.00 0.00 H ATOM 79 2HD2 LEU A 5 8.305 2.031 0.884 1.00 0.00 H ATOM 80 3HD2 LEU A 5 7.378 1.694 2.365 1.00 0.00 H ATOM 81 N ILE A 6 4.977 6.267 2.352 1.00 0.00 N ATOM 82 CA ILE A 6 5.019 7.715 2.517 1.00 0.00 C ATOM 83 C ILE A 6 5.242 8.097 3.975 1.00 0.00 C ATOM 84 O ILE A 6 6.039 8.983 4.279 1.00 0.00 O ATOM 85 CB ILE A 6 3.719 8.364 2.009 1.00 0.00 C ATOM 86 CG1 ILE A 6 3.623 8.246 0.485 1.00 0.00 C ATOM 87 CG2 ILE A 6 3.648 9.821 2.438 1.00 0.00 C ATOM 88 CD1 ILE A 6 2.248 8.549 -0.065 1.00 0.00 C ATOM 89 H ILE A 6 4.118 5.831 2.047 1.00 0.00 H ATOM 90 HA ILE A 6 5.845 8.108 1.922 1.00 0.00 H ATOM 91 HB ILE A 6 2.862 7.832 2.420 1.00 0.00 H ATOM 92 1HG1 ILE A 6 4.334 8.929 0.022 1.00 0.00 H ATOM 93 2HG1 ILE A 6 3.896 7.235 0.181 1.00 0.00 H ATOM 94 1HG2 ILE A 6 2.723 10.265 2.070 1.00 0.00 H ATOM 95 2HG2 ILE A 6 3.672 9.881 3.526 1.00 0.00 H ATOM 96 3HG2 ILE A 6 4.500 10.364 2.027 1.00 0.00 H ATOM 97 1HD1 ILE A 6 2.259 8.444 -1.151 1.00 0.00 H ATOM 98 2HD1 ILE A 6 1.524 7.852 0.359 1.00 0.00 H ATOM 99 3HD1 ILE A 6 1.968 9.568 0.197 1.00 0.00 H ATOM 100 N GLU A 7 4.535 7.420 4.873 1.00 0.00 N ATOM 101 CA GLU A 7 4.727 7.616 6.305 1.00 0.00 C ATOM 102 C GLU A 7 6.143 7.244 6.726 1.00 0.00 C ATOM 103 O GLU A 7 6.742 7.906 7.574 1.00 0.00 O ATOM 104 CB GLU A 7 3.713 6.787 7.097 1.00 0.00 C ATOM 105 CG GLU A 7 2.280 7.292 7.008 1.00 0.00 C ATOM 106 CD GLU A 7 1.318 6.469 7.818 1.00 0.00 C ATOM 107 OE1 GLU A 7 1.718 5.446 8.321 1.00 0.00 O ATOM 108 OE2 GLU A 7 0.182 6.863 7.934 1.00 0.00 O ATOM 109 H GLU A 7 3.845 6.754 4.556 1.00 0.00 H ATOM 110 HA GLU A 7 4.558 8.669 6.537 1.00 0.00 H ATOM 111 1HB GLU A 7 3.728 5.757 6.741 1.00 0.00 H ATOM 112 2HB GLU A 7 3.998 6.773 8.150 1.00 0.00 H ATOM 113 1HG GLU A 7 2.246 8.322 7.361 1.00 0.00 H ATOM 114 2HG GLU A 7 1.968 7.285 5.964 1.00 0.00 H ATOM 115 N LYS A 8 6.672 6.182 6.130 1.00 0.00 N ATOM 116 CA LYS A 8 8.047 5.768 6.383 1.00 0.00 C ATOM 117 C LYS A 8 9.035 6.846 5.957 1.00 0.00 C ATOM 118 O LYS A 8 10.054 7.062 6.614 1.00 0.00 O ATOM 119 CB LYS A 8 8.355 4.457 5.657 1.00 0.00 C ATOM 120 CG LYS A 8 9.730 3.878 5.959 1.00 0.00 C ATOM 121 CD LYS A 8 9.916 2.521 5.298 1.00 0.00 C ATOM 122 CE LYS A 8 11.290 1.941 5.599 1.00 0.00 C ATOM 123 NZ LYS A 8 11.473 0.597 4.987 1.00 0.00 N ATOM 124 H LYS A 8 6.108 5.647 5.485 1.00 0.00 H ATOM 125 HA LYS A 8 8.164 5.589 7.453 1.00 0.00 H ATOM 126 1HB LYS A 8 7.610 3.708 5.927 1.00 0.00 H ATOM 127 2HB LYS A 8 8.286 4.613 4.580 1.00 0.00 H ATOM 128 1HG LYS A 8 10.500 4.559 5.593 1.00 0.00 H ATOM 129 2HG LYS A 8 9.850 3.768 7.036 1.00 0.00 H ATOM 130 1HD LYS A 8 9.152 1.832 5.661 1.00 0.00 H ATOM 131 2HD LYS A 8 9.804 2.623 4.219 1.00 0.00 H ATOM 132 1HE LYS A 8 12.059 2.609 5.215 1.00 0.00 H ATOM 133 2HE LYS A 8 11.420 1.855 6.678 1.00 0.00 H ATOM 134 1HZ LYS A 8 12.395 0.247 5.210 1.00 0.00 H ATOM 135 2HZ LYS A 8 10.776 -0.038 5.350 1.00 0.00 H ATOM 136 3HZ LYS A 8 11.374 0.667 3.984 1.00 0.00 H ATOM 137 N ALA A 9 8.726 7.522 4.856 1.00 0.00 N ATOM 138 CA ALA A 9 9.590 8.576 4.336 1.00 0.00 C ATOM 139 C ALA A 9 9.790 9.682 5.365 1.00 0.00 C ATOM 140 O ALA A 9 10.889 10.215 5.513 1.00 0.00 O ATOM 141 CB ALA A 9 9.013 9.148 3.050 1.00 0.00 C ATOM 142 H ALA A 9 7.872 7.301 4.365 1.00 0.00 H ATOM 143 HA ALA A 9 10.562 8.141 4.098 1.00 0.00 H ATOM 144 1HB ALA A 9 9.669 9.934 2.675 1.00 0.00 H ATOM 145 2HB ALA A 9 8.931 8.357 2.304 1.00 0.00 H ATOM 146 3HB ALA A 9 8.026 9.564 3.247 1.00 0.00 H ATOM 147 N GLU A 10 8.719 10.022 6.075 1.00 0.00 N ATOM 148 CA GLU A 10 8.776 11.061 7.097 1.00 0.00 C ATOM 149 C GLU A 10 9.643 10.629 8.273 1.00 0.00 C ATOM 150 O GLU A 10 10.405 11.426 8.821 1.00 0.00 O ATOM 151 CB GLU A 10 7.368 11.404 7.588 1.00 0.00 C ATOM 152 CG GLU A 10 6.505 12.128 6.565 1.00 0.00 C ATOM 153 CD GLU A 10 5.133 12.458 7.085 1.00 0.00 C ATOM 154 OE1 GLU A 10 4.788 11.981 8.140 1.00 0.00 O ATOM 155 OE2 GLU A 10 4.429 13.186 6.427 1.00 0.00 O ATOM 156 H GLU A 10 7.844 9.549 5.902 1.00 0.00 H ATOM 157 HA GLU A 10 9.210 11.958 6.655 1.00 0.00 H ATOM 158 1HB GLU A 10 6.850 10.489 7.876 1.00 0.00 H ATOM 159 2HB GLU A 10 7.436 12.035 8.475 1.00 0.00 H ATOM 160 1HG GLU A 10 7.002 13.053 6.275 1.00 0.00 H ATOM 161 2HG GLU A 10 6.411 11.504 5.677 1.00 0.00 H ATOM 162 N GLU A 11 9.520 9.363 8.658 1.00 0.00 N ATOM 163 CA GLU A 11 10.308 8.817 9.757 1.00 0.00 C ATOM 164 C GLU A 11 11.786 8.756 9.398 1.00 0.00 C ATOM 165 O GLU A 11 12.650 9.051 10.225 1.00 0.00 O ATOM 166 CB GLU A 11 9.806 7.420 10.131 1.00 0.00 C ATOM 167 CG GLU A 11 8.433 7.401 10.787 1.00 0.00 C ATOM 168 CD GLU A 11 7.981 6.015 11.157 1.00 0.00 C ATOM 169 OE1 GLU A 11 8.653 5.077 10.801 1.00 0.00 O ATOM 170 OE2 GLU A 11 6.963 5.895 11.797 1.00 0.00 O ATOM 171 H GLU A 11 8.866 8.763 8.177 1.00 0.00 H ATOM 172 HA GLU A 11 10.185 9.466 10.626 1.00 0.00 H ATOM 173 1HB GLU A 11 9.758 6.799 9.236 1.00 0.00 H ATOM 174 2HB GLU A 11 10.512 6.952 10.817 1.00 0.00 H ATOM 175 1HG GLU A 11 8.464 8.013 11.688 1.00 0.00 H ATOM 176 2HG GLU A 11 7.709 7.844 10.105 1.00 0.00 H ATOM 177 N LEU A 12 12.074 8.369 8.159 1.00 0.00 N ATOM 178 CA LEU A 12 13.450 8.260 7.691 1.00 0.00 C ATOM 179 C LEU A 12 14.151 9.612 7.718 1.00 0.00 C ATOM 180 O LEU A 12 15.293 9.721 8.165 1.00 0.00 O ATOM 181 CB LEU A 12 13.481 7.689 6.267 1.00 0.00 C ATOM 182 CG LEU A 12 13.128 6.202 6.139 1.00 0.00 C ATOM 183 CD1 LEU A 12 12.885 5.862 4.675 1.00 0.00 C ATOM 184 CD2 LEU A 12 14.257 5.361 6.715 1.00 0.00 C ATOM 185 H LEU A 12 11.320 8.147 7.526 1.00 0.00 H ATOM 186 HA LEU A 12 13.986 7.575 8.349 1.00 0.00 H ATOM 187 1HB LEU A 12 12.779 8.251 5.653 1.00 0.00 H ATOM 188 2HB LEU A 12 14.482 7.829 5.858 1.00 0.00 H ATOM 189 HG LEU A 12 12.207 5.998 6.686 1.00 0.00 H ATOM 190 1HD1 LEU A 12 12.634 4.805 4.583 1.00 0.00 H ATOM 191 2HD1 LEU A 12 12.060 6.464 4.293 1.00 0.00 H ATOM 192 3HD1 LEU A 12 13.785 6.072 4.098 1.00 0.00 H ATOM 193 1HD2 LEU A 12 14.006 4.303 6.624 1.00 0.00 H ATOM 194 2HD2 LEU A 12 15.178 5.563 6.168 1.00 0.00 H ATOM 195 3HD2 LEU A 12 14.397 5.611 7.767 1.00 0.00 H ATOM 196 N ALA A 13 13.461 10.640 7.236 1.00 0.00 N ATOM 197 CA ALA A 13 14.028 11.982 7.174 1.00 0.00 C ATOM 198 C ALA A 13 14.297 12.532 8.569 1.00 0.00 C ATOM 199 O ALA A 13 15.350 13.117 8.823 1.00 0.00 O ATOM 200 CB ALA A 13 13.099 12.914 6.409 1.00 0.00 C ATOM 201 H ALA A 13 12.519 10.488 6.905 1.00 0.00 H ATOM 202 HA ALA A 13 14.971 11.934 6.629 1.00 0.00 H ATOM 203 1HB ALA A 13 13.536 13.912 6.371 1.00 0.00 H ATOM 204 2HB ALA A 13 12.962 12.539 5.395 1.00 0.00 H ATOM 205 3HB ALA A 13 12.135 12.959 6.912 1.00 0.00 H ATOM 206 N LYS A 14 13.340 12.340 9.470 1.00 0.00 N ATOM 207 CA LYS A 14 13.440 12.878 10.821 1.00 0.00 C ATOM 208 C LYS A 14 14.594 12.241 11.583 1.00 0.00 C ATOM 209 O LYS A 14 15.257 12.897 12.387 1.00 0.00 O ATOM 210 CB LYS A 14 12.130 12.669 11.581 1.00 0.00 C ATOM 211 CG LYS A 14 10.990 13.572 11.129 1.00 0.00 C ATOM 212 CD LYS A 14 9.712 13.276 11.900 1.00 0.00 C ATOM 213 CE LYS A 14 8.571 14.177 11.450 1.00 0.00 C ATOM 214 NZ LYS A 14 7.316 13.903 12.200 1.00 0.00 N ATOM 215 H LYS A 14 12.521 11.808 9.212 1.00 0.00 H ATOM 216 HA LYS A 14 13.616 13.953 10.753 1.00 0.00 H ATOM 217 1HB LYS A 14 11.803 11.635 11.465 1.00 0.00 H ATOM 218 2HB LYS A 14 12.294 12.843 12.644 1.00 0.00 H ATOM 219 1HG LYS A 14 11.267 14.615 11.288 1.00 0.00 H ATOM 220 2HG LYS A 14 10.805 13.421 10.066 1.00 0.00 H ATOM 221 1HD LYS A 14 9.425 12.235 11.745 1.00 0.00 H ATOM 222 2HD LYS A 14 9.885 13.431 12.965 1.00 0.00 H ATOM 223 1HE LYS A 14 8.850 15.219 11.599 1.00 0.00 H ATOM 224 2HE LYS A 14 8.385 14.023 10.387 1.00 0.00 H ATOM 225 1HZ LYS A 14 6.586 14.519 11.872 1.00 0.00 H ATOM 226 2HZ LYS A 14 7.037 12.943 12.053 1.00 0.00 H ATOM 227 3HZ LYS A 14 7.471 14.061 13.186 1.00 0.00 H ATOM 228 N LYS A 15 14.832 10.960 11.326 1.00 0.00 N ATOM 229 CA LYS A 15 15.869 10.215 12.029 1.00 0.00 C ATOM 230 C LYS A 15 17.234 10.433 11.388 1.00 0.00 C ATOM 231 O LYS A 15 18.249 9.942 11.883 1.00 0.00 O ATOM 232 CB LYS A 15 15.533 8.724 12.058 1.00 0.00 C ATOM 233 CG LYS A 15 14.333 8.366 12.926 1.00 0.00 C ATOM 234 CD LYS A 15 14.062 6.869 12.904 1.00 0.00 C ATOM 235 CE LYS A 15 12.884 6.506 13.795 1.00 0.00 C ATOM 236 NZ LYS A 15 12.622 5.041 13.802 1.00 0.00 N ATOM 237 H LYS A 15 14.278 10.489 10.624 1.00 0.00 H ATOM 238 HA LYS A 15 15.908 10.567 13.061 1.00 0.00 H ATOM 239 1HB LYS A 15 15.328 8.377 11.045 1.00 0.00 H ATOM 240 2HB LYS A 15 16.392 8.164 12.428 1.00 0.00 H ATOM 241 1HG LYS A 15 14.522 8.678 13.954 1.00 0.00 H ATOM 242 2HG LYS A 15 13.451 8.892 12.561 1.00 0.00 H ATOM 243 1HD LYS A 15 13.846 6.553 11.882 1.00 0.00 H ATOM 244 2HD LYS A 15 14.946 6.334 13.251 1.00 0.00 H ATOM 245 1HE LYS A 15 13.086 6.832 14.815 1.00 0.00 H ATOM 246 2HE LYS A 15 11.990 7.020 13.443 1.00 0.00 H ATOM 247 1HZ LYS A 15 11.835 4.842 14.403 1.00 0.00 H ATOM 248 2HZ LYS A 15 12.415 4.731 12.863 1.00 0.00 H ATOM 249 3HZ LYS A 15 13.438 4.554 14.145 1.00 0.00 H ATOM 250 N GLY A 16 17.253 11.171 10.284 1.00 0.00 N ATOM 251 CA GLY A 16 18.492 11.446 9.566 1.00 0.00 C ATOM 252 C GLY A 16 19.001 10.202 8.850 1.00 0.00 C ATOM 253 O GLY A 16 20.208 9.998 8.720 1.00 0.00 O ATOM 254 H GLY A 16 16.386 11.551 9.932 1.00 0.00 H ATOM 255 1HA GLY A 16 18.324 12.244 8.843 1.00 0.00 H ATOM 256 2HA GLY A 16 19.246 11.801 10.267 1.00 0.00 H ATOM 257 N ILE A 17 18.073 9.371 8.385 1.00 0.00 N ATOM 258 CA ILE A 17 18.427 8.126 7.714 1.00 0.00 C ATOM 259 C ILE A 17 18.417 8.295 6.200 1.00 0.00 C ATOM 260 O ILE A 17 17.426 8.742 5.622 1.00 0.00 O ATOM 261 CB ILE A 17 17.461 6.995 8.111 1.00 0.00 C ATOM 262 CG1 ILE A 17 17.538 6.731 9.617 1.00 0.00 C ATOM 263 CG2 ILE A 17 17.775 5.729 7.329 1.00 0.00 C ATOM 264 CD1 ILE A 17 16.415 5.868 10.144 1.00 0.00 C ATOM 265 H ILE A 17 17.098 9.609 8.500 1.00 0.00 H ATOM 266 HA ILE A 17 19.430 7.837 8.027 1.00 0.00 H ATOM 267 HB ILE A 17 16.437 7.299 7.896 1.00 0.00 H ATOM 268 1HG1 ILE A 17 18.483 6.244 9.853 1.00 0.00 H ATOM 269 2HG1 ILE A 17 17.518 7.680 10.154 1.00 0.00 H ATOM 270 1HG2 ILE A 17 17.083 4.939 7.623 1.00 0.00 H ATOM 271 2HG2 ILE A 17 17.670 5.925 6.263 1.00 0.00 H ATOM 272 3HG2 ILE A 17 18.796 5.414 7.542 1.00 0.00 H ATOM 273 1HD1 ILE A 17 16.538 5.726 11.218 1.00 0.00 H ATOM 274 2HD1 ILE A 17 15.459 6.355 9.950 1.00 0.00 H ATOM 275 3HD1 ILE A 17 16.436 4.899 9.646 1.00 0.00 H ATOM 276 N THR A 18 19.526 7.934 5.563 1.00 0.00 N ATOM 277 CA THR A 18 19.643 8.034 4.112 1.00 0.00 C ATOM 278 C THR A 18 19.101 6.786 3.429 1.00 0.00 C ATOM 279 O THR A 18 19.445 5.663 3.801 1.00 0.00 O ATOM 280 CB THR A 18 21.106 8.262 3.688 1.00 0.00 C ATOM 281 OG1 THR A 18 21.587 9.485 4.260 1.00 0.00 O ATOM 282 CG2 THR A 18 21.216 8.338 2.173 1.00 0.00 C ATOM 283 H THR A 18 20.309 7.583 6.096 1.00 0.00 H ATOM 284 HA THR A 18 19.065 8.895 3.777 1.00 0.00 H ATOM 285 HB THR A 18 21.722 7.440 4.051 1.00 0.00 H ATOM 286 HG1 THR A 18 21.733 9.361 5.201 1.00 0.00 H ATOM 287 1HG2 THR A 18 22.256 8.499 1.891 1.00 0.00 H ATOM 288 2HG2 THR A 18 20.861 7.405 1.735 1.00 0.00 H ATOM 289 3HG2 THR A 18 20.609 9.164 1.805 1.00 0.00 H ATOM 290 N LEU A 19 18.253 6.987 2.428 1.00 0.00 N ATOM 291 CA LEU A 19 17.679 5.877 1.675 1.00 0.00 C ATOM 292 C LEU A 19 18.361 5.719 0.321 1.00 0.00 C ATOM 293 O LEU A 19 18.330 6.626 -0.510 1.00 0.00 O ATOM 294 CB LEU A 19 16.174 6.095 1.474 1.00 0.00 C ATOM 295 CG LEU A 19 15.465 5.062 0.589 1.00 0.00 C ATOM 296 CD1 LEU A 19 15.549 3.690 1.242 1.00 0.00 C ATOM 297 CD2 LEU A 19 14.017 5.481 0.380 1.00 0.00 C ATOM 298 H LEU A 19 17.998 7.932 2.180 1.00 0.00 H ATOM 299 HA LEU A 19 17.821 4.961 2.247 1.00 0.00 H ATOM 300 1HB LEU A 19 15.688 6.085 2.448 1.00 0.00 H ATOM 301 2HB LEU A 19 16.022 7.077 1.025 1.00 0.00 H ATOM 302 HG LEU A 19 15.968 5.003 -0.377 1.00 0.00 H ATOM 303 1HD1 LEU A 19 15.045 2.956 0.613 1.00 0.00 H ATOM 304 2HD1 LEU A 19 16.595 3.407 1.362 1.00 0.00 H ATOM 305 3HD1 LEU A 19 15.067 3.722 2.219 1.00 0.00 H ATOM 306 1HD2 LEU A 19 13.513 4.747 -0.250 1.00 0.00 H ATOM 307 2HD2 LEU A 19 13.512 5.539 1.345 1.00 0.00 H ATOM 308 3HD2 LEU A 19 13.986 6.457 -0.105 1.00 0.00 H ATOM 309 N ARG A 20 18.978 4.562 0.108 1.00 0.00 N ATOM 310 CA ARG A 20 19.712 4.301 -1.125 1.00 0.00 C ATOM 311 C ARG A 20 19.091 3.147 -1.902 1.00 0.00 C ATOM 312 O ARG A 20 19.258 1.983 -1.542 1.00 0.00 O ATOM 313 CB ARG A 20 21.168 3.980 -0.823 1.00 0.00 C ATOM 314 CG ARG A 20 21.959 5.119 -0.201 1.00 0.00 C ATOM 315 CD ARG A 20 23.363 4.725 0.080 1.00 0.00 C ATOM 316 NE ARG A 20 24.147 5.837 0.592 1.00 0.00 N ATOM 317 CZ ARG A 20 24.243 6.171 1.893 1.00 0.00 C ATOM 318 NH1 ARG A 20 23.600 5.470 2.801 1.00 0.00 N ATOM 319 NH2 ARG A 20 24.984 7.203 2.258 1.00 0.00 N ATOM 320 H ARG A 20 18.936 3.843 0.816 1.00 0.00 H ATOM 321 HA ARG A 20 19.678 5.198 -1.744 1.00 0.00 H ATOM 322 1HB ARG A 20 21.220 3.132 -0.141 1.00 0.00 H ATOM 323 2HB ARG A 20 21.675 3.690 -1.743 1.00 0.00 H ATOM 324 1HG ARG A 20 21.972 5.969 -0.884 1.00 0.00 H ATOM 325 2HG ARG A 20 21.492 5.416 0.739 1.00 0.00 H ATOM 326 1HD ARG A 20 23.376 3.928 0.823 1.00 0.00 H ATOM 327 2HD ARG A 20 23.832 4.371 -0.838 1.00 0.00 H ATOM 328 HE ARG A 20 24.657 6.400 -0.077 1.00 0.00 H ATOM 329 1HH1 ARG A 20 23.034 4.681 2.522 1.00 0.00 H ATOM 330 2HH1 ARG A 20 23.672 5.720 3.776 1.00 0.00 H ATOM 331 1HH2 ARG A 20 25.479 7.742 1.561 1.00 0.00 H ATOM 332 2HH2 ARG A 20 25.056 7.452 3.233 1.00 0.00 H ATOM 333 N THR A 21 18.374 3.480 -2.971 1.00 0.00 N ATOM 334 CA THR A 21 17.695 2.474 -3.780 1.00 0.00 C ATOM 335 C THR A 21 17.505 2.956 -5.212 1.00 0.00 C ATOM 336 O THR A 21 17.901 4.068 -5.561 1.00 0.00 O ATOM 337 CB THR A 21 16.328 2.105 -3.173 1.00 0.00 C ATOM 338 OG1 THR A 21 15.803 0.950 -3.840 1.00 0.00 O ATOM 339 CG2 THR A 21 15.350 3.260 -3.320 1.00 0.00 C ATOM 340 H THR A 21 18.299 4.452 -3.230 1.00 0.00 H ATOM 341 HA THR A 21 18.305 1.570 -3.794 1.00 0.00 H ATOM 342 HB THR A 21 16.451 1.873 -2.116 1.00 0.00 H ATOM 343 HG1 THR A 21 16.212 0.160 -3.481 1.00 0.00 H ATOM 344 1HG2 THR A 21 14.390 2.981 -2.886 1.00 0.00 H ATOM 345 2HG2 THR A 21 15.741 4.137 -2.804 1.00 0.00 H ATOM 346 3HG2 THR A 21 15.216 3.491 -4.376 1.00 0.00 H ATOM 347 N LEU A 22 16.895 2.114 -6.039 1.00 0.00 N ATOM 348 CA LEU A 22 16.735 2.412 -7.458 1.00 0.00 C ATOM 349 C LEU A 22 18.028 2.952 -8.056 1.00 0.00 C ATOM 350 O LEU A 22 19.026 2.237 -8.151 1.00 0.00 O ATOM 351 CB LEU A 22 15.606 3.431 -7.661 1.00 0.00 C ATOM 352 CG LEU A 22 14.205 2.961 -7.252 1.00 0.00 C ATOM 353 CD1 LEU A 22 13.251 4.148 -7.249 1.00 0.00 C ATOM 354 CD2 LEU A 22 13.731 1.881 -8.212 1.00 0.00 C ATOM 355 H LEU A 22 16.534 1.243 -5.676 1.00 0.00 H ATOM 356 HA LEU A 22 16.468 1.492 -7.977 1.00 0.00 H ATOM 357 1HB LEU A 22 15.837 4.325 -7.084 1.00 0.00 H ATOM 358 2HB LEU A 22 15.570 3.703 -8.716 1.00 0.00 H ATOM 359 HG LEU A 22 14.237 2.557 -6.239 1.00 0.00 H ATOM 360 1HD1 LEU A 22 12.255 3.814 -6.958 1.00 0.00 H ATOM 361 2HD1 LEU A 22 13.604 4.897 -6.539 1.00 0.00 H ATOM 362 3HD1 LEU A 22 13.210 4.584 -8.247 1.00 0.00 H ATOM 363 1HD2 LEU A 22 12.734 1.546 -7.921 1.00 0.00 H ATOM 364 2HD2 LEU A 22 13.696 2.283 -9.225 1.00 0.00 H ATOM 365 3HD2 LEU A 22 14.420 1.037 -8.180 1.00 0.00 H ATOM 366 N HIS A 23 18.005 4.218 -8.459 1.00 0.00 N ATOM 367 CA HIS A 23 19.149 4.832 -9.122 1.00 0.00 C ATOM 368 C HIS A 23 19.510 6.163 -8.475 1.00 0.00 C ATOM 369 O HIS A 23 20.323 6.921 -9.005 1.00 0.00 O ATOM 370 CB HIS A 23 18.861 5.044 -10.612 1.00 0.00 C ATOM 371 CG HIS A 23 18.474 3.790 -11.334 1.00 0.00 C ATOM 372 ND1 HIS A 23 19.383 2.799 -11.641 1.00 0.00 N ATOM 373 CD2 HIS A 23 17.280 3.368 -11.809 1.00 0.00 C ATOM 374 CE1 HIS A 23 18.761 1.819 -12.275 1.00 0.00 C ATOM 375 NE2 HIS A 23 17.486 2.140 -12.389 1.00 0.00 N ATOM 376 H HIS A 23 17.173 4.769 -8.301 1.00 0.00 H ATOM 377 HA HIS A 23 20.002 4.159 -9.036 1.00 0.00 H ATOM 378 1HB HIS A 23 18.053 5.767 -10.728 1.00 0.00 H ATOM 379 2HB HIS A 23 19.744 5.458 -11.098 1.00 0.00 H ATOM 380 HD1 HIS A 23 20.343 2.769 -11.362 1.00 0.00 H ATOM 381 HD2 HIS A 23 16.282 3.808 -11.803 1.00 0.00 H ATOM 382 HE1 HIS A 23 19.309 0.936 -12.604 1.00 0.00 H ATOM 383 N TRP A 24 18.904 6.442 -7.326 1.00 0.00 N ATOM 384 CA TRP A 24 19.057 7.737 -6.673 1.00 0.00 C ATOM 385 C TRP A 24 19.155 7.582 -5.161 1.00 0.00 C ATOM 386 O TRP A 24 18.677 6.597 -4.596 1.00 0.00 O ATOM 387 CB TRP A 24 17.882 8.652 -7.020 1.00 0.00 C ATOM 388 CG TRP A 24 17.619 8.757 -8.492 1.00 0.00 C ATOM 389 CD1 TRP A 24 18.153 9.668 -9.353 1.00 0.00 C ATOM 390 CD2 TRP A 24 16.752 7.913 -9.288 1.00 0.00 C ATOM 391 NE1 TRP A 24 17.679 9.453 -10.623 1.00 0.00 N ATOM 392 CE2 TRP A 24 16.822 8.382 -10.603 1.00 0.00 C ATOM 393 CE3 TRP A 24 15.935 6.815 -8.995 1.00 0.00 C ATOM 394 CZ2 TRP A 24 16.103 7.794 -11.631 1.00 0.00 C ATOM 395 CZ3 TRP A 24 15.215 6.223 -10.027 1.00 0.00 C ATOM 396 CH2 TRP A 24 15.298 6.700 -11.310 1.00 0.00 C ATOM 397 H TRP A 24 18.320 5.739 -6.895 1.00 0.00 H ATOM 398 HA TRP A 24 19.974 8.201 -7.037 1.00 0.00 H ATOM 399 1HB TRP A 24 16.977 8.284 -6.536 1.00 0.00 H ATOM 400 2HB TRP A 24 18.074 9.653 -6.635 1.00 0.00 H ATOM 401 HD1 TRP A 24 18.854 10.453 -9.073 1.00 0.00 H ATOM 402 HE1 TRP A 24 17.921 9.995 -11.441 1.00 0.00 H ATOM 403 HE3 TRP A 24 15.867 6.430 -7.978 1.00 0.00 H ATOM 404 HZ2 TRP A 24 16.155 8.158 -12.657 1.00 0.00 H ATOM 405 HZ3 TRP A 24 14.580 5.369 -9.790 1.00 0.00 H ATOM 406 HH2 TRP A 24 14.720 6.212 -12.096 1.00 0.00 H ATOM 407 N THR A 25 19.775 8.560 -4.510 1.00 0.00 N ATOM 408 CA THR A 25 19.851 8.584 -3.054 1.00 0.00 C ATOM 409 C THR A 25 19.035 9.733 -2.478 1.00 0.00 C ATOM 410 O THR A 25 19.156 10.875 -2.919 1.00 0.00 O ATOM 411 CB THR A 25 21.311 8.696 -2.577 1.00 0.00 C ATOM 412 OG1 THR A 25 22.052 7.553 -3.025 1.00 0.00 O ATOM 413 CG2 THR A 25 21.372 8.772 -1.059 1.00 0.00 C ATOM 414 H THR A 25 20.205 9.306 -5.037 1.00 0.00 H ATOM 415 HA THR A 25 19.451 7.644 -2.671 1.00 0.00 H ATOM 416 HB THR A 25 21.763 9.593 -2.998 1.00 0.00 H ATOM 417 HG1 THR A 25 22.161 7.597 -3.978 1.00 0.00 H ATOM 418 1HG2 THR A 25 22.411 8.851 -0.740 1.00 0.00 H ATOM 419 2HG2 THR A 25 20.819 9.646 -0.716 1.00 0.00 H ATOM 420 3HG2 THR A 25 20.929 7.873 -0.632 1.00 0.00 H ATOM 421 N ALA A 26 18.202 9.423 -1.489 1.00 0.00 N ATOM 422 CA ALA A 26 17.352 10.427 -0.861 1.00 0.00 C ATOM 423 C ALA A 26 17.767 10.673 0.584 1.00 0.00 C ATOM 424 O ALA A 26 17.900 9.735 1.370 1.00 0.00 O ATOM 425 CB ALA A 26 15.892 10.002 -0.928 1.00 0.00 C ATOM 426 H ALA A 26 18.158 8.468 -1.165 1.00 0.00 H ATOM 427 HA ALA A 26 17.450 11.361 -1.416 1.00 0.00 H ATOM 428 1HB ALA A 26 15.270 10.762 -0.455 1.00 0.00 H ATOM 429 2HB ALA A 26 15.594 9.887 -1.970 1.00 0.00 H ATOM 430 3HB ALA A 26 15.766 9.055 -0.407 1.00 0.00 H ATOM 431 N THR A 27 17.969 11.941 0.930 1.00 0.00 N ATOM 432 CA THR A 27 18.265 12.322 2.305 1.00 0.00 C ATOM 433 C THR A 27 17.141 13.164 2.898 1.00 0.00 C ATOM 434 O THR A 27 17.272 13.706 3.995 1.00 0.00 O ATOM 435 CB THR A 27 19.592 13.098 2.390 1.00 0.00 C ATOM 436 OG1 THR A 27 19.505 14.289 1.598 1.00 0.00 O ATOM 437 CG2 THR A 27 20.744 12.241 1.886 1.00 0.00 C ATOM 438 H THR A 27 17.914 12.658 0.221 1.00 0.00 H ATOM 439 HA THR A 27 18.373 11.415 2.900 1.00 0.00 H ATOM 440 HB THR A 27 19.783 13.379 3.426 1.00 0.00 H ATOM 441 HG1 THR A 27 19.018 14.960 2.083 1.00 0.00 H ATOM 442 1HG2 THR A 27 21.674 12.805 1.954 1.00 0.00 H ATOM 443 2HG2 THR A 27 20.820 11.340 2.493 1.00 0.00 H ATOM 444 3HG2 THR A 27 20.563 11.965 0.848 1.00 0.00 H ATOM 445 N GLU A 28 16.038 13.269 2.165 1.00 0.00 N ATOM 446 CA GLU A 28 14.923 14.113 2.576 1.00 0.00 C ATOM 447 C GLU A 28 13.588 13.421 2.330 1.00 0.00 C ATOM 448 O GLU A 28 13.494 12.510 1.507 1.00 0.00 O ATOM 449 CB GLU A 28 14.961 15.449 1.831 1.00 0.00 C ATOM 450 CG GLU A 28 16.198 16.290 2.112 1.00 0.00 C ATOM 451 CD GLU A 28 16.179 17.615 1.401 1.00 0.00 C ATOM 452 OE1 GLU A 28 15.303 17.822 0.595 1.00 0.00 O ATOM 453 OE2 GLU A 28 17.040 18.420 1.664 1.00 0.00 O ATOM 454 H GLU A 28 15.971 12.752 1.300 1.00 0.00 H ATOM 455 HA GLU A 28 15.018 14.317 3.643 1.00 0.00 H ATOM 456 1HB GLU A 28 14.917 15.268 0.757 1.00 0.00 H ATOM 457 2HB GLU A 28 14.086 16.041 2.099 1.00 0.00 H ATOM 458 1HG GLU A 28 16.268 16.468 3.185 1.00 0.00 H ATOM 459 2HG GLU A 28 17.082 15.732 1.806 1.00 0.00 H ATOM 460 N THR A 29 12.559 13.860 3.045 1.00 0.00 N ATOM 461 CA THR A 29 11.235 13.260 2.931 1.00 0.00 C ATOM 462 C THR A 29 10.743 13.281 1.490 1.00 0.00 C ATOM 463 O THR A 29 10.256 12.275 0.975 1.00 0.00 O ATOM 464 CB THR A 29 10.219 13.981 3.836 1.00 0.00 C ATOM 465 OG1 THR A 29 10.652 13.907 5.200 1.00 0.00 O ATOM 466 CG2 THR A 29 8.844 13.343 3.709 1.00 0.00 C ATOM 467 H THR A 29 12.697 14.629 3.685 1.00 0.00 H ATOM 468 HA THR A 29 11.296 12.223 3.265 1.00 0.00 H ATOM 469 HB THR A 29 10.155 15.030 3.546 1.00 0.00 H ATOM 470 HG1 THR A 29 10.096 14.471 5.743 1.00 0.00 H ATOM 471 1HG2 THR A 29 8.139 13.866 4.355 1.00 0.00 H ATOM 472 2HG2 THR A 29 8.507 13.408 2.675 1.00 0.00 H ATOM 473 3HG2 THR A 29 8.900 12.297 4.006 1.00 0.00 H ATOM 474 N GLU A 30 10.871 14.435 0.844 1.00 0.00 N ATOM 475 CA GLU A 30 10.363 14.616 -0.511 1.00 0.00 C ATOM 476 C GLU A 30 11.125 13.750 -1.506 1.00 0.00 C ATOM 477 O GLU A 30 10.538 13.178 -2.423 1.00 0.00 O ATOM 478 CB GLU A 30 10.455 16.086 -0.924 1.00 0.00 C ATOM 479 CG GLU A 30 9.539 17.018 -0.141 1.00 0.00 C ATOM 480 CD GLU A 30 10.059 17.329 1.234 1.00 0.00 C ATOM 481 OE1 GLU A 30 11.177 16.973 1.521 1.00 0.00 O ATOM 482 OE2 GLU A 30 9.338 17.925 1.999 1.00 0.00 O ATOM 483 H GLU A 30 11.334 15.207 1.302 1.00 0.00 H ATOM 484 HA GLU A 30 9.312 14.322 -0.527 1.00 0.00 H ATOM 485 1HB GLU A 30 11.479 16.437 -0.794 1.00 0.00 H ATOM 486 2HB GLU A 30 10.207 16.184 -1.981 1.00 0.00 H ATOM 487 1HG GLU A 30 9.428 17.950 -0.695 1.00 0.00 H ATOM 488 2HG GLU A 30 8.556 16.557 -0.057 1.00 0.00 H ATOM 489 N LEU A 31 12.438 13.659 -1.318 1.00 0.00 N ATOM 490 CA LEU A 31 13.282 12.855 -2.193 1.00 0.00 C ATOM 491 C LEU A 31 12.956 11.373 -2.064 1.00 0.00 C ATOM 492 O LEU A 31 13.021 10.626 -3.040 1.00 0.00 O ATOM 493 CB LEU A 31 14.762 13.089 -1.864 1.00 0.00 C ATOM 494 CG LEU A 31 15.300 14.490 -2.180 1.00 0.00 C ATOM 495 CD1 LEU A 31 16.700 14.640 -1.599 1.00 0.00 C ATOM 496 CD2 LEU A 31 15.307 14.704 -3.686 1.00 0.00 C ATOM 497 H LEU A 31 12.860 14.160 -0.550 1.00 0.00 H ATOM 498 HA LEU A 31 13.106 13.164 -3.224 1.00 0.00 H ATOM 499 1HB LEU A 31 14.915 12.907 -0.802 1.00 0.00 H ATOM 500 2HB LEU A 31 15.361 12.370 -2.424 1.00 0.00 H ATOM 501 HG LEU A 31 14.662 15.239 -1.710 1.00 0.00 H ATOM 502 1HD1 LEU A 31 17.082 15.636 -1.823 1.00 0.00 H ATOM 503 2HD1 LEU A 31 16.663 14.501 -0.519 1.00 0.00 H ATOM 504 3HD1 LEU A 31 17.358 13.892 -2.040 1.00 0.00 H ATOM 505 1HD2 LEU A 31 15.689 15.701 -3.910 1.00 0.00 H ATOM 506 2HD2 LEU A 31 15.945 13.957 -4.157 1.00 0.00 H ATOM 507 3HD2 LEU A 31 14.292 14.609 -4.072 1.00 0.00 H ATOM 508 N ILE A 32 12.606 10.953 -0.853 1.00 0.00 N ATOM 509 CA ILE A 32 12.196 9.575 -0.609 1.00 0.00 C ATOM 510 C ILE A 32 10.868 9.266 -1.290 1.00 0.00 C ATOM 511 O ILE A 32 10.689 8.192 -1.864 1.00 0.00 O ATOM 512 CB ILE A 32 12.077 9.297 0.901 1.00 0.00 C ATOM 513 CG1 ILE A 32 13.455 9.358 1.565 1.00 0.00 C ATOM 514 CG2 ILE A 32 11.425 7.945 1.143 1.00 0.00 C ATOM 515 CD1 ILE A 32 13.403 9.427 3.074 1.00 0.00 C ATOM 516 H ILE A 32 12.624 11.605 -0.081 1.00 0.00 H ATOM 517 HA ILE A 32 12.959 8.910 -1.014 1.00 0.00 H ATOM 518 HB ILE A 32 11.469 10.072 1.366 1.00 0.00 H ATOM 519 1HG1 ILE A 32 14.034 8.478 1.284 1.00 0.00 H ATOM 520 2HG1 ILE A 32 13.996 10.233 1.203 1.00 0.00 H ATOM 521 1HG2 ILE A 32 11.349 7.764 2.215 1.00 0.00 H ATOM 522 2HG2 ILE A 32 10.429 7.938 0.703 1.00 0.00 H ATOM 523 3HG2 ILE A 32 12.030 7.162 0.685 1.00 0.00 H ATOM 524 1HD1 ILE A 32 14.418 9.468 3.472 1.00 0.00 H ATOM 525 2HD1 ILE A 32 12.858 10.321 3.379 1.00 0.00 H ATOM 526 3HD1 ILE A 32 12.898 8.544 3.462 1.00 0.00 H ATOM 527 N ARG A 33 9.941 10.214 -1.222 1.00 0.00 N ATOM 528 CA ARG A 33 8.650 10.071 -1.884 1.00 0.00 C ATOM 529 C ARG A 33 8.819 9.848 -3.381 1.00 0.00 C ATOM 530 O ARG A 33 8.071 9.086 -3.994 1.00 0.00 O ATOM 531 CB ARG A 33 7.790 11.304 -1.653 1.00 0.00 C ATOM 532 CG ARG A 33 7.237 11.444 -0.243 1.00 0.00 C ATOM 533 CD ARG A 33 6.451 12.694 -0.083 1.00 0.00 C ATOM 534 NE ARG A 33 5.984 12.869 1.283 1.00 0.00 N ATOM 535 CZ ARG A 33 5.248 13.913 1.712 1.00 0.00 C ATOM 536 NH1 ARG A 33 4.904 14.864 0.872 1.00 0.00 N ATOM 537 NH2 ARG A 33 4.871 13.980 2.977 1.00 0.00 N ATOM 538 H ARG A 33 10.134 11.057 -0.699 1.00 0.00 H ATOM 539 HA ARG A 33 8.137 9.208 -1.458 1.00 0.00 H ATOM 540 1HB ARG A 33 8.372 12.199 -1.869 1.00 0.00 H ATOM 541 2HB ARG A 33 6.943 11.291 -2.339 1.00 0.00 H ATOM 542 1HG ARG A 33 6.585 10.598 -0.023 1.00 0.00 H ATOM 543 2HG ARG A 33 8.062 11.463 0.470 1.00 0.00 H ATOM 544 1HD ARG A 33 7.072 13.550 -0.343 1.00 0.00 H ATOM 545 2HD ARG A 33 5.582 12.664 -0.739 1.00 0.00 H ATOM 546 HE ARG A 33 6.228 12.157 1.958 1.00 0.00 H ATOM 547 1HH1 ARG A 33 5.192 14.812 -0.095 1.00 0.00 H ATOM 548 2HH1 ARG A 33 4.352 15.646 1.193 1.00 0.00 H ATOM 549 1HH2 ARG A 33 5.135 13.249 3.623 1.00 0.00 H ATOM 550 2HH2 ARG A 33 4.320 14.762 3.298 1.00 0.00 H ATOM 551 N GLU A 34 9.808 10.516 -3.965 1.00 0.00 N ATOM 552 CA GLU A 34 10.137 10.323 -5.373 1.00 0.00 C ATOM 553 C GLU A 34 10.605 8.898 -5.638 1.00 0.00 C ATOM 554 O GLU A 34 10.212 8.279 -6.627 1.00 0.00 O ATOM 555 CB GLU A 34 11.218 11.314 -5.809 1.00 0.00 C ATOM 556 CG GLU A 34 10.745 12.758 -5.907 1.00 0.00 C ATOM 557 CD GLU A 34 11.828 13.699 -6.355 1.00 0.00 C ATOM 558 OE1 GLU A 34 12.947 13.266 -6.491 1.00 0.00 O ATOM 559 OE2 GLU A 34 11.536 14.854 -6.561 1.00 0.00 O ATOM 560 H GLU A 34 10.345 11.175 -3.421 1.00 0.00 H ATOM 561 HA GLU A 34 9.242 10.513 -5.967 1.00 0.00 H ATOM 562 1HB GLU A 34 12.049 11.281 -5.104 1.00 0.00 H ATOM 563 2HB GLU A 34 11.606 11.023 -6.786 1.00 0.00 H ATOM 564 1HG GLU A 34 9.918 12.811 -6.614 1.00 0.00 H ATOM 565 2HG GLU A 34 10.375 13.074 -4.933 1.00 0.00 H ATOM 566 N LEU A 35 11.447 8.382 -4.749 1.00 0.00 N ATOM 567 CA LEU A 35 11.893 6.996 -4.830 1.00 0.00 C ATOM 568 C LEU A 35 10.720 6.032 -4.700 1.00 0.00 C ATOM 569 O LEU A 35 10.666 5.010 -5.383 1.00 0.00 O ATOM 570 CB LEU A 35 12.926 6.705 -3.734 1.00 0.00 C ATOM 571 CG LEU A 35 14.296 7.370 -3.918 1.00 0.00 C ATOM 572 CD1 LEU A 35 15.107 7.225 -2.637 1.00 0.00 C ATOM 573 CD2 LEU A 35 15.016 6.732 -5.096 1.00 0.00 C ATOM 574 H LEU A 35 11.788 8.965 -3.998 1.00 0.00 H ATOM 575 HA LEU A 35 12.367 6.841 -5.800 1.00 0.00 H ATOM 576 1HB LEU A 35 12.522 7.039 -2.779 1.00 0.00 H ATOM 577 2HB LEU A 35 13.084 5.628 -3.682 1.00 0.00 H ATOM 578 HG LEU A 35 14.161 8.435 -4.108 1.00 0.00 H ATOM 579 1HD1 LEU A 35 16.081 7.697 -2.768 1.00 0.00 H ATOM 580 2HD1 LEU A 35 14.578 7.707 -1.815 1.00 0.00 H ATOM 581 3HD1 LEU A 35 15.244 6.168 -2.412 1.00 0.00 H ATOM 582 1HD2 LEU A 35 15.990 7.204 -5.228 1.00 0.00 H ATOM 583 2HD2 LEU A 35 15.152 5.667 -4.906 1.00 0.00 H ATOM 584 3HD2 LEU A 35 14.423 6.866 -6.001 1.00 0.00 H ATOM 585 N ILE A 36 9.782 6.364 -3.820 1.00 0.00 N ATOM 586 CA ILE A 36 8.605 5.532 -3.603 1.00 0.00 C ATOM 587 C ILE A 36 7.732 5.478 -4.852 1.00 0.00 C ATOM 588 O ILE A 36 7.303 4.404 -5.273 1.00 0.00 O ATOM 589 CB ILE A 36 7.773 6.054 -2.417 1.00 0.00 C ATOM 590 CG1 ILE A 36 8.523 5.832 -1.101 1.00 0.00 C ATOM 591 CG2 ILE A 36 6.414 5.374 -2.380 1.00 0.00 C ATOM 592 CD1 ILE A 36 7.951 6.605 0.066 1.00 0.00 C ATOM 593 H ILE A 36 9.887 7.215 -3.287 1.00 0.00 H ATOM 594 HA ILE A 36 8.936 4.521 -3.364 1.00 0.00 H ATOM 595 HB ILE A 36 7.629 7.129 -2.520 1.00 0.00 H ATOM 596 1HG1 ILE A 36 8.509 4.773 -0.849 1.00 0.00 H ATOM 597 2HG1 ILE A 36 9.567 6.125 -1.223 1.00 0.00 H ATOM 598 1HG2 ILE A 36 5.840 5.754 -1.536 1.00 0.00 H ATOM 599 2HG2 ILE A 36 5.878 5.582 -3.306 1.00 0.00 H ATOM 600 3HG2 ILE A 36 6.548 4.298 -2.272 1.00 0.00 H ATOM 601 1HD1 ILE A 36 8.535 6.396 0.962 1.00 0.00 H ATOM 602 2HD1 ILE A 36 7.987 7.673 -0.151 1.00 0.00 H ATOM 603 3HD1 ILE A 36 6.917 6.303 0.229 1.00 0.00 H ATOM 604 N ILE A 37 7.473 6.641 -5.438 1.00 0.00 N ATOM 605 CA ILE A 37 6.633 6.730 -6.626 1.00 0.00 C ATOM 606 C ILE A 37 7.233 5.941 -7.784 1.00 0.00 C ATOM 607 O ILE A 37 6.534 5.187 -8.461 1.00 0.00 O ATOM 608 CB ILE A 37 6.436 8.196 -7.051 1.00 0.00 C ATOM 609 CG1 ILE A 37 5.579 8.939 -6.022 1.00 0.00 C ATOM 610 CG2 ILE A 37 5.799 8.269 -8.430 1.00 0.00 C ATOM 611 CD1 ILE A 37 5.621 10.443 -6.165 1.00 0.00 C ATOM 612 H ILE A 37 7.869 7.486 -5.050 1.00 0.00 H ATOM 613 HA ILE A 37 5.654 6.314 -6.390 1.00 0.00 H ATOM 614 HB ILE A 37 7.401 8.700 -7.079 1.00 0.00 H ATOM 615 1HG1 ILE A 37 4.542 8.616 -6.111 1.00 0.00 H ATOM 616 2HG1 ILE A 37 5.915 8.684 -5.017 1.00 0.00 H ATOM 617 1HG2 ILE A 37 5.666 9.313 -8.714 1.00 0.00 H ATOM 618 2HG2 ILE A 37 6.445 7.776 -9.155 1.00 0.00 H ATOM 619 3HG2 ILE A 37 4.829 7.772 -8.410 1.00 0.00 H ATOM 620 1HD1 ILE A 37 4.990 10.899 -5.401 1.00 0.00 H ATOM 621 2HD1 ILE A 37 6.647 10.792 -6.044 1.00 0.00 H ATOM 622 3HD1 ILE A 37 5.255 10.725 -7.151 1.00 0.00 H ATOM 623 N ILE A 38 8.530 6.121 -8.007 1.00 0.00 N ATOM 624 CA ILE A 38 9.222 5.437 -9.094 1.00 0.00 C ATOM 625 C ILE A 38 9.243 3.931 -8.873 1.00 0.00 C ATOM 626 O ILE A 38 8.984 3.155 -9.794 1.00 0.00 O ATOM 627 CB ILE A 38 10.665 5.955 -9.238 1.00 0.00 C ATOM 628 CG1 ILE A 38 10.665 7.419 -9.687 1.00 0.00 C ATOM 629 CG2 ILE A 38 11.443 5.094 -10.221 1.00 0.00 C ATOM 630 CD1 ILE A 38 12.003 8.105 -9.534 1.00 0.00 C ATOM 631 H ILE A 38 9.051 6.745 -7.408 1.00 0.00 H ATOM 632 HA ILE A 38 8.695 5.648 -10.025 1.00 0.00 H ATOM 633 HB ILE A 38 11.162 5.923 -8.269 1.00 0.00 H ATOM 634 1HG1 ILE A 38 10.368 7.478 -10.733 1.00 0.00 H ATOM 635 2HG1 ILE A 38 9.929 7.977 -9.107 1.00 0.00 H ATOM 636 1HG2 ILE A 38 12.461 5.474 -10.312 1.00 0.00 H ATOM 637 2HG2 ILE A 38 11.471 4.066 -9.862 1.00 0.00 H ATOM 638 3HG2 ILE A 38 10.957 5.124 -11.196 1.00 0.00 H ATOM 639 1HD1 ILE A 38 11.923 9.138 -9.872 1.00 0.00 H ATOM 640 2HD1 ILE A 38 12.303 8.088 -8.486 1.00 0.00 H ATOM 641 3HD1 ILE A 38 12.749 7.584 -10.134 1.00 0.00 H ATOM 642 N TRP A 39 9.553 3.522 -7.647 1.00 0.00 N ATOM 643 CA TRP A 39 9.618 2.106 -7.306 1.00 0.00 C ATOM 644 C TRP A 39 8.276 1.421 -7.536 1.00 0.00 C ATOM 645 O TRP A 39 8.215 0.331 -8.105 1.00 0.00 O ATOM 646 CB TRP A 39 10.042 1.929 -5.847 1.00 0.00 C ATOM 647 CG TRP A 39 10.097 0.496 -5.410 1.00 0.00 C ATOM 648 CD1 TRP A 39 11.111 -0.386 -5.632 1.00 0.00 C ATOM 649 CD2 TRP A 39 9.088 -0.231 -4.667 1.00 0.00 C ATOM 650 NE1 TRP A 39 10.806 -1.607 -5.083 1.00 0.00 N ATOM 651 CE2 TRP A 39 9.572 -1.530 -4.488 1.00 0.00 C ATOM 652 CE3 TRP A 39 7.833 0.111 -4.148 1.00 0.00 C ATOM 653 CZ2 TRP A 39 8.845 -2.496 -3.811 1.00 0.00 C ATOM 654 CZ3 TRP A 39 7.105 -0.858 -3.468 1.00 0.00 C ATOM 655 CH2 TRP A 39 7.599 -2.128 -3.303 1.00 0.00 C ATOM 656 H TRP A 39 9.748 4.210 -6.934 1.00 0.00 H ATOM 657 HA TRP A 39 10.367 1.631 -7.941 1.00 0.00 H ATOM 658 1HB TRP A 39 11.028 2.370 -5.698 1.00 0.00 H ATOM 659 2HB TRP A 39 9.345 2.459 -5.198 1.00 0.00 H ATOM 660 HD1 TRP A 39 12.031 -0.155 -6.167 1.00 0.00 H ATOM 661 HE1 TRP A 39 11.392 -2.429 -5.113 1.00 0.00 H ATOM 662 HE3 TRP A 39 7.438 1.118 -4.274 1.00 0.00 H ATOM 663 HZ2 TRP A 39 9.220 -3.510 -3.670 1.00 0.00 H ATOM 664 HZ3 TRP A 39 6.129 -0.584 -3.068 1.00 0.00 H ATOM 665 HH2 TRP A 39 7.001 -2.863 -2.764 1.00 0.00 H ATOM 666 N LEU A 40 7.204 2.067 -7.091 1.00 0.00 N ATOM 667 CA LEU A 40 5.864 1.505 -7.216 1.00 0.00 C ATOM 668 C LEU A 40 5.484 1.306 -8.677 1.00 0.00 C ATOM 669 O LEU A 40 4.817 0.334 -9.028 1.00 0.00 O ATOM 670 CB LEU A 40 4.839 2.420 -6.535 1.00 0.00 C ATOM 671 CG LEU A 40 4.883 2.444 -5.002 1.00 0.00 C ATOM 672 CD1 LEU A 40 4.089 3.638 -4.489 1.00 0.00 C ATOM 673 CD2 LEU A 40 4.322 1.139 -4.457 1.00 0.00 C ATOM 674 H LEU A 40 7.319 2.971 -6.655 1.00 0.00 H ATOM 675 HA LEU A 40 5.848 0.537 -6.715 1.00 0.00 H ATOM 676 1HB LEU A 40 4.995 3.439 -6.887 1.00 0.00 H ATOM 677 2HB LEU A 40 3.839 2.104 -6.833 1.00 0.00 H ATOM 678 HG LEU A 40 5.915 2.562 -4.669 1.00 0.00 H ATOM 679 1HD1 LEU A 40 4.121 3.655 -3.399 1.00 0.00 H ATOM 680 2HD1 LEU A 40 4.524 4.558 -4.878 1.00 0.00 H ATOM 681 3HD1 LEU A 40 3.055 3.556 -4.820 1.00 0.00 H ATOM 682 1HD2 LEU A 40 4.355 1.156 -3.367 1.00 0.00 H ATOM 683 2HD2 LEU A 40 3.290 1.021 -4.788 1.00 0.00 H ATOM 684 3HD2 LEU A 40 4.919 0.305 -4.825 1.00 0.00 H ATOM 685 N ARG A 41 5.913 2.234 -9.526 1.00 0.00 N ATOM 686 CA ARG A 41 5.618 2.162 -10.952 1.00 0.00 C ATOM 687 C ARG A 41 6.394 1.033 -11.619 1.00 0.00 C ATOM 688 O ARG A 41 5.901 0.392 -12.548 1.00 0.00 O ATOM 689 CB ARG A 41 5.956 3.478 -11.635 1.00 0.00 C ATOM 690 CG ARG A 41 5.014 4.627 -11.312 1.00 0.00 C ATOM 691 CD ARG A 41 5.490 5.908 -11.895 1.00 0.00 C ATOM 692 NE ARG A 41 4.580 7.006 -11.607 1.00 0.00 N ATOM 693 CZ ARG A 41 4.825 8.298 -11.897 1.00 0.00 C ATOM 694 NH1 ARG A 41 5.952 8.638 -12.482 1.00 0.00 N ATOM 695 NH2 ARG A 41 3.932 9.224 -11.594 1.00 0.00 N ATOM 696 H ARG A 41 6.456 3.010 -9.175 1.00 0.00 H ATOM 697 HA ARG A 41 4.551 1.974 -11.076 1.00 0.00 H ATOM 698 1HB ARG A 41 6.961 3.787 -11.352 1.00 0.00 H ATOM 699 2HB ARG A 41 5.949 3.340 -12.717 1.00 0.00 H ATOM 700 1HG ARG A 41 4.025 4.412 -11.718 1.00 0.00 H ATOM 701 2HG ARG A 41 4.944 4.747 -10.231 1.00 0.00 H ATOM 702 1HD ARG A 41 6.466 6.156 -11.479 1.00 0.00 H ATOM 703 2HD ARG A 41 5.571 5.808 -12.976 1.00 0.00 H ATOM 704 HE ARG A 41 3.702 6.783 -11.157 1.00 0.00 H ATOM 705 1HH1 ARG A 41 6.635 7.931 -12.714 1.00 0.00 H ATOM 706 2HH1 ARG A 41 6.135 9.607 -12.700 1.00 0.00 H ATOM 707 1HH2 ARG A 41 3.065 8.963 -11.144 1.00 0.00 H ATOM 708 2HH2 ARG A 41 4.115 10.192 -11.812 1.00 0.00 H ATOM 709 N LEU A 42 7.610 0.794 -11.139 1.00 0.00 N ATOM 710 CA LEU A 42 8.472 -0.232 -11.714 1.00 0.00 C ATOM 711 C LEU A 42 8.155 -1.605 -11.137 1.00 0.00 C ATOM 712 O LEU A 42 8.286 -2.621 -11.820 1.00 0.00 O ATOM 713 CB LEU A 42 9.945 0.109 -11.458 1.00 0.00 C ATOM 714 CG LEU A 42 10.454 1.398 -12.117 1.00 0.00 C ATOM 715 CD1 LEU A 42 11.840 1.729 -11.581 1.00 0.00 C ATOM 716 CD2 LEU A 42 10.480 1.220 -13.627 1.00 0.00 C ATOM 717 H LEU A 42 7.945 1.337 -10.356 1.00 0.00 H ATOM 718 HA LEU A 42 8.306 -0.258 -12.792 1.00 0.00 H ATOM 719 1HB LEU A 42 10.098 0.204 -10.384 1.00 0.00 H ATOM 720 2HB LEU A 42 10.561 -0.714 -11.820 1.00 0.00 H ATOM 721 HG LEU A 42 9.791 2.224 -11.860 1.00 0.00 H ATOM 722 1HD1 LEU A 42 12.202 2.645 -12.049 1.00 0.00 H ATOM 723 2HD1 LEU A 42 11.789 1.871 -10.501 1.00 0.00 H ATOM 724 3HD1 LEU A 42 12.523 0.912 -11.808 1.00 0.00 H ATOM 725 1HD2 LEU A 42 10.841 2.136 -14.096 1.00 0.00 H ATOM 726 2HD2 LEU A 42 11.144 0.394 -13.885 1.00 0.00 H ATOM 727 3HD2 LEU A 42 9.474 1.001 -13.985 1.00 0.00 H ATOM 728 N LYS A 43 7.736 -1.630 -9.876 1.00 0.00 N ATOM 729 CA LYS A 43 7.483 -2.884 -9.177 1.00 0.00 C ATOM 730 C LYS A 43 6.281 -3.611 -9.767 1.00 0.00 C ATOM 731 O LYS A 43 5.356 -2.983 -10.281 1.00 0.00 O ATOM 732 OXT LYS A 43 6.229 -4.808 -9.733 1.00 0.00 O ATOM 733 CB LYS A 43 7.264 -2.630 -7.685 1.00 0.00 C ATOM 734 CG LYS A 43 7.011 -3.888 -6.864 1.00 0.00 C ATOM 735 CD LYS A 43 8.277 -4.720 -6.723 1.00 0.00 C ATOM 736 CE LYS A 43 8.042 -5.944 -5.850 1.00 0.00 C ATOM 737 NZ LYS A 43 7.201 -6.963 -6.535 1.00 0.00 N ATOM 738 H LYS A 43 7.590 -0.757 -9.390 1.00 0.00 H ATOM 739 HA LYS A 43 8.354 -3.529 -9.297 1.00 0.00 H ATOM 740 1HB LYS A 43 8.139 -2.129 -7.268 1.00 0.00 H ATOM 741 2HB LYS A 43 6.411 -1.965 -7.550 1.00 0.00 H ATOM 742 1HG LYS A 43 6.657 -3.609 -5.870 1.00 0.00 H ATOM 743 2HG LYS A 43 6.243 -4.490 -7.348 1.00 0.00 H ATOM 744 1HD LYS A 43 8.610 -5.046 -7.709 1.00 0.00 H ATOM 745 2HD LYS A 43 9.064 -4.113 -6.275 1.00 0.00 H ATOM 746 1HE LYS A 43 8.998 -6.395 -5.590 1.00 0.00 H ATOM 747 2HE LYS A 43 7.545 -5.643 -4.928 1.00 0.00 H ATOM 748 1HZ LYS A 43 7.068 -7.757 -5.924 1.00 0.00 H ATOM 749 2HZ LYS A 43 6.303 -6.561 -6.764 1.00 0.00 H ATOM 750 3HZ LYS A 43 7.661 -7.264 -7.383 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE start17_0118_0002.pdb label fa_atr fa_rep fa_sol fa_intra_atr_xover4 fa_intra_rep_xover4 fa_intra_sol_xover4 lk_ball lk_ball_iso lk_ball_bridge lk_ball_bridge_uncpl fa_elec fa_intra_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun_dev fa_dun_rot fa_dun_semi p_aa_pp hxl_tors ref rama_prepro gen_bonded total weights 1 0.55 1 1 0.55 1 0.92 -0.38 -0.33 -0.33 1 1 1.25 1 1 1 1 1.25 0.48 0.69 0.76 0.78 0.61 1 1 0.5 1 NA pose -235.517 28.3767 162.547 -17.0135 9.50622 11.778 85.3746 -94.3101 -0.43022 -3.32336 -54.5464 -13.27 0 -26.9729 -3.96971 -0.1856 0 0 1.3 3.11663 21.8387 35.8377 -8.55473 13.8124 -25.9221 2.47715 0 -108.05 THR:NtermProteinFull_1 -3.32249 0.31049 2.52538 -0.19877 0.12719 0.07053 1.40725 -1.46399 -0.0172 -0.15902 -0.73234 -0.98787 0 0 0 0 0 0 0.32184 0.00173 0.14469 0 0 2.28769 -1.0874 0 0 -0.77228 GLU_2 -5.28003 0.65379 3.92606 -0.33558 0.05876 0.3891 1.61015 -2.07696 -0 -0 -1.0827 -0.58537 0 0 0 0 0 0 0.04802 0.07195 0 3.23066 -0.1433 0 -2.7348 -0.05918 0 -2.30941 GLU_3 -3.90233 0.23465 5.03592 -0.45896 0.21702 1.43278 1.59006 -2.24455 -0.02935 -0.1552 -1.19489 -2.86903 0 0 0 0 0 0 -0.0322 0.01517 0 4.01184 -0.2284 0 -2.7348 -0.23551 0 -1.54777 GLU_4 -3.72 0.15866 4.58002 -0.21631 0.03515 0.30924 1.75901 -2.09928 -0.06133 -0.46451 -1.00547 -0.59305 0 0 0 0 0 0 0.01269 0.01062 0 3.03877 -0.30887 0 -2.7348 -0.40868 0 -1.70815 LEU_5 -7.52306 1.23424 3.80631 -0.5076 0.49615 0.12236 2.56348 -2.62913 -0 -0 -1.63009 0.24626 0 0 0 0 0 0 0.04673 0.07868 0.3126 0 -0.3113 0 0.18072 -0.3155 0 -3.82915 ILE_6 -6.62545 0.71616 5.15226 -0.51519 0.60663 0.10237 2.76713 -2.85562 -0.00602 -0.09693 -1.6945 0.06374 0 0 0 0 0 0 0.2045 0.10042 0.63904 0 -0.40915 0 0.73287 0.04799 0 -1.06973 GLU_7 -4.40341 0.21759 5.29727 -0.21562 0.02558 0.29362 2.33859 -2.46529 -0.03481 -0.30718 -1.22064 -0.58648 0 0 0 0 0 0 0.2232 0.04646 0 3.00107 -0.28094 0 -2.7348 -0.07862 0 -0.88439 LYS_8 -5.74725 0.55405 5.61801 -0.4291 0.06318 0.25339 2.88189 -2.70381 -0.00929 -0.10186 -2.15364 -0.18503 0 0 0 0 0 0 -0.03871 0.02443 2.40131 0 -0.04599 0 -1.5107 -0.38658 0 -1.51569 ALA_9 -6.90636 1.10706 3.42397 -0.02192 0 0 3.08296 -2.9116 -0 -0 -1.89364 -0.3622 0 0 0 0 0 0 -0.01606 0 0 0 -0.31335 0 1.8394 -0.25195 0 -3.2237 GLU_10 -5.38889 0.34294 5.78648 -0.21386 0.02731 0.29346 2.76008 -2.7298 -0.02 -0.15681 -2.36119 -0.57947 0 0 0 0 0 0 0.04058 0.02352 0 3.04107 -0.24958 0 -2.7348 -0.26424 0 -2.38317 GLU_11 -4.92117 0.20576 5.79665 -0.21417 0.02731 0.2937 2.46274 -2.59255 -0.00929 -0.10186 -1.72303 -0.5852 0 0 0 0 0 0 -0.01742 0.02916 0 3.04465 -0.2447 0 -2.7348 -0.37413 0 -1.65837 LEU_12 -8.27679 0.73346 4.70021 -0.49502 0.43026 0.11557 3.22114 -2.95598 -0 -0 -2.71809 0.24938 0 0 0 0 0 0 -0.02943 0.19012 0.56922 0 -0.23001 0 0.18072 -0.03604 0 -4.35129 ALA_13 -4.28227 0.46039 3.49055 -0.02115 0 0 1.92196 -2.294 -0.0149 -0.13098 -1.2828 -0.34326 0 0 0 0 0 0 -0.02303 0 0 0 -0.05876 0 1.8394 0.27243 0 -0.46643 LYS_14 -3.23982 0.3231 3.73631 -0.30683 0.02646 0.13887 1.48216 -1.67292 -0 -0 -0.84045 -0.04047 0 0 0 0 0 0 -0.05771 0.07811 1.77406 0 -0.05421 0 -1.5107 -0.08762 0 -0.25166 LYS_15 -4.06698 0.41305 3.77134 -0.31993 0.03684 0.17088 1.30798 -1.70993 -0 -0 -0.88869 -0.17881 0 0 0 0 0 0 -0.06487 0.06504 1.7589 0 -0.06702 0 -1.5107 -0.33782 0 -1.62073 GLY_16 -1.87023 0.17369 2.53001 -5e-05 0 0 1.06356 -1.22106 -0.01014 -0.10534 -0.94816 -0.40844 0 0 0 0 0 0 -0.17625 0 0 0 -1.05002 0 0.83697 -0.40333 0 -1.58879 ILE_17 -4.9929 0.45222 2.97385 -0.48716 0.55652 0.10397 1.49768 -1.74707 -0 -0 -0.76078 0.17848 0 0 0 0 0 0 -0.03496 0.04676 0.49964 0 -0.6665 0 0.73287 -0.59349 0 -2.24088 THR_18 -4.08344 0.48449 1.56456 -0.17512 0.1215 0.06159 0.35394 -1.27833 -0.01382 -0.11577 -0.31827 -0.03602 0 0 0 0 0 0 -0.04224 0.00331 0.08107 0 -0.01614 2.28525 -1.0874 -0.34354 0 -2.55439 LEU_19 -5.8863 0.65602 2.14912 -0.62684 0.37753 0.17717 2.05536 -1.81947 -0.00279 -0.0087 -1.80897 0.28957 0 0 0 0 0 0 -0.06969 0.05154 0.59899 0 -0.34684 0 0.18072 -0.0679 0 -4.10149 ARG_20 -3.57231 0.29792 2.11714 -0.6382 0.17954 0.43905 0.2642 -1.16298 -0.01399 -0.15351 -0.4841 -0.05687 0 0 0 0 0 0 -0.02276 0.00177 2.49185 0 0.0481 0 -1.2888 0.13793 0 -1.41603 THR_21 -3.99407 0.50986 2.46969 -0.20418 0.15843 0.07215 1.82761 -1.61136 -0.00375 -0.0162 -1.60244 -1.0508 0 0 0 -0.0928 0 0 0.13334 0.0043 0.51785 0 -0.00305 2.31934 -1.0874 0.73287 0 -0.92061 LEU_22 -6.47512 1.26888 0.27631 -0.4529 0.40225 0.06999 0.87413 -1.25575 -0 -0 -0.04204 0.21121 0 0 0 -0.0928 0 0 -0.13734 0.26098 0.03385 0 0.93339 0 0.18072 2.01786 0 -1.92636 HIS_D_23 -3.87415 0.54908 1.99102 -0.4065 0.01334 0.54828 0.76719 -1.34272 -0 -0 0.1689 -0.27744 0 0 0 0 0 0 0.1879 0.20267 0 1.52975 -0.4494 0 -0.45461 1.75913 0 0.91242 TRP_24 -6.41487 1.31854 2.09972 -0.97625 0.08566 0.77903 2.18746 -1.91673 -0.0002 -0.00078 -0.64297 -0.0492 0 0 0 0 0 0 0.01579 0.36273 0 2.8271 -0.23795 0 1.6906 0.3177 0 1.44536 THR_25 -3.34923 0.51402 1.0221 -0.17549 0.12977 0.06226 0.4766 -0.97302 -0.02024 -0.17519 -0.34966 -0.24819 0 0 0 0 0 0 -0.04626 0.00948 0.1686 0 -0.17709 2.29784 -1.0874 0.00629 0 -1.91479 ALA_26 -5.5868 1.13595 1.84956 -0.02541 0.00034 0 2.33187 -2.00025 -0.0002 -0.00078 -1.52026 -0.36947 0 0 0 0 0 0 0.17191 0 0 0 0.64263 0 1.8394 0.18915 0 -1.34237 THR_27 -2.84397 0.22853 1.464 -0.12664 0.05933 0.0796 0.50626 -0.96485 -0.01089 -0.0396 -0.25719 -0.96998 0 0 0 0 0 0 0.0246 0.00408 0.05805 0 -0.50604 2.30628 -1.0874 0.07341 0 -2.00241 GLU_28 -5.16165 0.48834 4.88295 -0.19651 0.03539 0.29341 2.25493 -2.34418 -0.01735 -0.11806 -1.35037 -0.57974 0 0 0 0 0 0 0.15242 0.00253 0 3.21249 -0.01168 0 -2.7348 -0.1533 0 -1.34519 THR_29 -6.34853 0.6122 4.50264 -0.19643 0.13615 0.07315 2.00204 -2.61933 -0.0149 -0.13098 -1.59209 -0.48678 0 0 0 0 0 0 0.01698 0.03182 0.06496 0 0.03332 2.31596 -1.0874 0.40063 0 -2.28658 GLU_30 -4.37285 0.31104 5.1722 -0.46759 0.24287 1.46574 1.57102 -2.26975 -0.04538 -0.27258 -0.82791 -2.75902 0 0 0 0 0 0 0.01317 0.04321 0 3.97428 -0.26292 0 -2.7348 0.21705 0 -1.00223 LEU_31 -6.94356 0.69606 5.17642 -0.51069 0.54139 0.12376 2.47314 -2.81185 -0.04819 -0.28455 -0.96177 0.25393 0 0 0 0 0 0 0.22073 0.04446 0.29473 0 -0.31372 0 0.18072 -0.28122 0 -2.15022 ILE_32 -10.4965 2.30118 4.31469 -0.51688 0.61858 0.10355 3.4125 -3.49584 -0 -0 -2.25106 0.00516 0 0 0 0 0 0 0.05547 0.06628 0.83831 0 -0.34249 0 0.73287 -0.03089 0 -4.68511 ARG_33 -7.54194 0.83211 6.2855 -0.44451 0.04909 0.22256 3.25654 -3.19891 -0.00602 -0.09693 -2.60736 0.39343 0 0 0 0 0 0 0.26419 0.09302 2.08606 0 -0.18202 0 -1.2888 0.0507 0 -1.83328 GLU_34 -5.44308 0.47238 5.97417 -0.21301 0.02553 0.28825 2.66396 -2.83194 -0.02016 -0.13003 -1.7486 -0.5822 0 0 0 0 0 0 0.3093 0.05018 0 3.04889 -0.16314 0 -2.7348 -0.09787 0 -1.13218 LEU_35 -9.22562 1.87091 4.03243 -0.50394 0.49729 0.12119 2.94669 -3.10407 -0 -0 -2.0498 0.25279 0 0 0 0 0 0 -0.01179 0.1202 0.31771 0 -0.27762 0 0.18072 -0.09024 0 -4.92314 ILE_36 -9.22588 1.81822 4.56388 -0.51178 0.58834 0.10026 2.96057 -3.15969 -0 -0 -2.17306 0.12075 0 0 0 0 0 0 -0.07049 0.13765 0.50984 0 -0.46853 0 0.73287 0.25127 0 -3.82579 ILE_37 -6.11704 0.36133 5.37566 -0.51249 0.57534 0.10079 2.55635 -2.74073 -0 -0 -2.02694 0.11997 0 0 0 0 0 0 -0.04865 0.08842 0.52457 0 -0.41487 0 0.73287 0.51917 0 -0.90626 ILE_38 -7.27592 0.83328 3.89448 -0.51298 0.58834 0.10116 2.51996 -2.62329 -0 -0 -1.72778 0.07937 0 0 0 0 0 0 -0.06869 0.08263 0.58989 0 -0.43746 0 0.73287 0.44067 0 -2.78345 TRP_39 -8.41394 0.773 5.00367 -1.26869 0.0576 0.51728 2.95857 -2.9181 -0 -0 -2.23697 -0.32135 0 0 0 0 0 0 -0.03039 0.00742 0 1.87709 -0.21737 0 1.6906 0.24058 0 -2.28101 LEU_40 -7.17648 0.99055 3.67594 -0.4973 0.3615 0.12217 1.78768 -2.46511 -0 -0 -0.46754 0.22113 0 0 0 0 0 0 -0.03013 0.42093 0.2807 0 -0.29137 0 0.18072 0.07025 0 -2.81636 ARG_41 -4.13878 0.26387 4.08141 -0.44514 0.05583 0.22517 1.62684 -1.95967 -0 -0 -0.66002 0.33705 0 0 0 0 0 0 -0.04828 0.08237 2.01633 0 -0.15269 0 -1.2888 -0.14289 0 -0.1474 LEU_42 -3.65601 0.32481 2.89035 -0.50416 0.4413 0.12291 1.45525 -1.56133 -0 -0 -0.58618 0.19356 0 0 0 0 0 0 -0.046 0.13599 0.29605 0 -0.27771 0 0.18072 -0.18005 0 -0.7705 LYS:CtermProteinFull_43 -3.429 0.17284 3.5669 -0.94661 0.42965 1.41766 1.56612 -1.50734 -0 -0 -0.29083 -0.39402 0 0 0 0 0 0 0 0.02647 1.96986 0 0 0 -1.5107 -0.04737 0 1.02363 #END_POSE_ENERGIES_TABLE start17_0118_0002.pdb score_per_res -1.93841 total_score -83.3516
HEEH_KT_rd6_5432.pdb
ATOM 1 N THR A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA THR A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C THR A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O THR A 1 1.841 2.161 -0.968 1.00 0.00 O ATOM 5 CB THR A 1 2.012 -0.770 -1.213 1.00 0.00 C ATOM 6 OG1 THR A 1 1.557 -2.128 -1.169 1.00 0.00 O ATOM 7 CG2 THR A 1 3.533 -0.749 -1.209 1.00 0.00 C ATOM 8 1H THR A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 9 2H THR A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 10 3H THR A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 11 HA THR A 1 1.804 -0.509 0.900 1.00 0.00 H ATOM 12 HB THR A 1 1.651 -0.309 -2.132 1.00 0.00 H ATOM 13 HG1 THR A 1 1.726 -2.549 -2.015 1.00 0.00 H ATOM 14 1HG2 THR A 1 3.907 -1.297 -2.073 1.00 0.00 H ATOM 15 2HG2 THR A 1 3.883 0.283 -1.254 1.00 0.00 H ATOM 16 3HG2 THR A 1 3.901 -1.216 -0.296 1.00 0.00 H ATOM 17 N GLU A 2 2.668 1.794 1.092 1.00 0.00 N ATOM 18 CA GLU A 2 3.138 3.162 1.272 1.00 0.00 C ATOM 19 C GLU A 2 4.134 3.550 0.187 1.00 0.00 C ATOM 20 O GLU A 2 4.181 4.702 -0.242 1.00 0.00 O ATOM 21 CB GLU A 2 3.780 3.329 2.651 1.00 0.00 C ATOM 22 CG GLU A 2 2.814 3.172 3.817 1.00 0.00 C ATOM 23 CD GLU A 2 2.537 1.735 4.159 1.00 0.00 C ATOM 24 OE1 GLU A 2 3.085 0.874 3.512 1.00 0.00 O ATOM 25 OE2 GLU A 2 1.778 1.497 5.068 1.00 0.00 O ATOM 26 H GLU A 2 2.847 1.113 1.815 1.00 0.00 H ATOM 27 HA GLU A 2 2.280 3.833 1.215 1.00 0.00 H ATOM 28 1HB GLU A 2 4.574 2.593 2.774 1.00 0.00 H ATOM 29 2HB GLU A 2 4.234 4.317 2.724 1.00 0.00 H ATOM 30 1HG GLU A 2 3.234 3.667 4.692 1.00 0.00 H ATOM 31 2HG GLU A 2 1.877 3.669 3.568 1.00 0.00 H ATOM 32 N LEU A 3 4.930 2.581 -0.251 1.00 0.00 N ATOM 33 CA LEU A 3 5.946 2.825 -1.269 1.00 0.00 C ATOM 34 C LEU A 3 5.320 3.328 -2.563 1.00 0.00 C ATOM 35 O LEU A 3 5.789 4.299 -3.156 1.00 0.00 O ATOM 36 CB LEU A 3 6.741 1.543 -1.542 1.00 0.00 C ATOM 37 CG LEU A 3 7.697 1.596 -2.741 1.00 0.00 C ATOM 38 CD1 LEU A 3 8.738 2.684 -2.513 1.00 0.00 C ATOM 39 CD2 LEU A 3 8.357 0.238 -2.924 1.00 0.00 C ATOM 40 H LEU A 3 4.829 1.651 0.129 1.00 0.00 H ATOM 41 HA LEU A 3 6.634 3.586 -0.895 1.00 0.00 H ATOM 42 1HB LEU A 3 7.331 1.305 -0.659 1.00 0.00 H ATOM 43 2HB LEU A 3 6.038 0.728 -1.715 1.00 0.00 H ATOM 44 HG LEU A 3 7.138 1.853 -3.641 1.00 0.00 H ATOM 45 1HD1 LEU A 3 9.417 2.722 -3.365 1.00 0.00 H ATOM 46 2HD1 LEU A 3 8.239 3.647 -2.404 1.00 0.00 H ATOM 47 3HD1 LEU A 3 9.303 2.463 -1.608 1.00 0.00 H ATOM 48 1HD2 LEU A 3 9.037 0.275 -3.777 1.00 0.00 H ATOM 49 2HD2 LEU A 3 8.918 -0.019 -2.025 1.00 0.00 H ATOM 50 3HD2 LEU A 3 7.592 -0.518 -3.103 1.00 0.00 H ATOM 51 N LEU A 4 4.256 2.659 -2.998 1.00 0.00 N ATOM 52 CA LEU A 4 3.616 2.982 -4.268 1.00 0.00 C ATOM 53 C LEU A 4 2.831 4.283 -4.173 1.00 0.00 C ATOM 54 O LEU A 4 2.835 5.091 -5.103 1.00 0.00 O ATOM 55 CB LEU A 4 2.680 1.843 -4.693 1.00 0.00 C ATOM 56 CG LEU A 4 1.959 2.040 -6.033 1.00 0.00 C ATOM 57 CD1 LEU A 4 2.988 2.222 -7.141 1.00 0.00 C ATOM 58 CD2 LEU A 4 1.064 0.842 -6.309 1.00 0.00 C ATOM 59 H LEU A 4 3.883 1.909 -2.435 1.00 0.00 H ATOM 60 HA LEU A 4 4.390 3.094 -5.027 1.00 0.00 H ATOM 61 1HB LEU A 4 3.260 0.924 -4.761 1.00 0.00 H ATOM 62 2HB LEU A 4 1.919 1.712 -3.924 1.00 0.00 H ATOM 63 HG LEU A 4 1.352 2.945 -5.990 1.00 0.00 H ATOM 64 1HD1 LEU A 4 2.476 2.363 -8.094 1.00 0.00 H ATOM 65 2HD1 LEU A 4 3.601 3.098 -6.928 1.00 0.00 H ATOM 66 3HD1 LEU A 4 3.622 1.338 -7.198 1.00 0.00 H ATOM 67 1HD2 LEU A 4 0.551 0.982 -7.262 1.00 0.00 H ATOM 68 2HD2 LEU A 4 1.671 -0.063 -6.354 1.00 0.00 H ATOM 69 3HD2 LEU A 4 0.328 0.746 -5.511 1.00 0.00 H ATOM 70 N GLU A 5 2.158 4.482 -3.045 1.00 0.00 N ATOM 71 CA GLU A 5 1.355 5.681 -2.833 1.00 0.00 C ATOM 72 C GLU A 5 2.227 6.929 -2.807 1.00 0.00 C ATOM 73 O GLU A 5 1.859 7.967 -3.357 1.00 0.00 O ATOM 74 CB GLU A 5 0.566 5.570 -1.527 1.00 0.00 C ATOM 75 CG GLU A 5 -0.570 4.558 -1.562 1.00 0.00 C ATOM 76 CD GLU A 5 -1.297 4.448 -0.251 1.00 0.00 C ATOM 77 OE1 GLU A 5 -0.906 5.109 0.681 1.00 0.00 O ATOM 78 OE2 GLU A 5 -2.246 3.702 -0.181 1.00 0.00 O ATOM 79 H GLU A 5 2.203 3.784 -2.316 1.00 0.00 H ATOM 80 HA GLU A 5 0.642 5.770 -3.653 1.00 0.00 H ATOM 81 1HB GLU A 5 1.239 5.289 -0.717 1.00 0.00 H ATOM 82 2HB GLU A 5 0.140 6.542 -1.276 1.00 0.00 H ATOM 83 1HG GLU A 5 -1.280 4.851 -2.335 1.00 0.00 H ATOM 84 2HG GLU A 5 -0.165 3.583 -1.830 1.00 0.00 H ATOM 85 N LEU A 6 3.386 6.823 -2.163 1.00 0.00 N ATOM 86 CA LEU A 6 4.344 7.921 -2.127 1.00 0.00 C ATOM 87 C LEU A 6 4.960 8.160 -3.498 1.00 0.00 C ATOM 88 O LEU A 6 5.185 9.303 -3.898 1.00 0.00 O ATOM 89 CB LEU A 6 5.451 7.624 -1.107 1.00 0.00 C ATOM 90 CG LEU A 6 6.480 8.743 -0.897 1.00 0.00 C ATOM 91 CD1 LEU A 6 5.778 9.985 -0.366 1.00 0.00 C ATOM 92 CD2 LEU A 6 7.556 8.268 0.067 1.00 0.00 C ATOM 93 H LEU A 6 3.607 5.960 -1.689 1.00 0.00 H ATOM 94 HA LEU A 6 3.822 8.826 -1.814 1.00 0.00 H ATOM 95 1HB LEU A 6 4.989 7.414 -0.144 1.00 0.00 H ATOM 96 2HB LEU A 6 5.991 6.734 -1.430 1.00 0.00 H ATOM 97 HG LEU A 6 6.937 9.001 -1.853 1.00 0.00 H ATOM 98 1HD1 LEU A 6 6.508 10.780 -0.217 1.00 0.00 H ATOM 99 2HD1 LEU A 6 5.027 10.314 -1.084 1.00 0.00 H ATOM 100 3HD1 LEU A 6 5.296 9.753 0.583 1.00 0.00 H ATOM 101 1HD2 LEU A 6 8.288 9.063 0.216 1.00 0.00 H ATOM 102 2HD2 LEU A 6 7.100 8.011 1.024 1.00 0.00 H ATOM 103 3HD2 LEU A 6 8.054 7.390 -0.345 1.00 0.00 H ATOM 104 N ALA A 7 5.233 7.076 -4.216 1.00 0.00 N ATOM 105 CA ALA A 7 5.734 7.168 -5.582 1.00 0.00 C ATOM 106 C ALA A 7 4.736 7.877 -6.489 1.00 0.00 C ATOM 107 O ALA A 7 5.122 8.631 -7.383 1.00 0.00 O ATOM 108 CB ALA A 7 6.051 5.782 -6.125 1.00 0.00 C ATOM 109 H ALA A 7 5.089 6.165 -3.805 1.00 0.00 H ATOM 110 HA ALA A 7 6.664 7.738 -5.572 1.00 0.00 H ATOM 111 1HB ALA A 7 6.424 5.868 -7.146 1.00 0.00 H ATOM 112 2HB ALA A 7 6.809 5.311 -5.500 1.00 0.00 H ATOM 113 3HB ALA A 7 5.148 5.175 -6.119 1.00 0.00 H ATOM 114 N LYS A 8 3.453 7.631 -6.254 1.00 0.00 N ATOM 115 CA LYS A 8 2.395 8.271 -7.027 1.00 0.00 C ATOM 116 C LYS A 8 2.426 9.784 -6.853 1.00 0.00 C ATOM 117 O LYS A 8 2.254 10.532 -7.816 1.00 0.00 O ATOM 118 CB LYS A 8 1.026 7.723 -6.621 1.00 0.00 C ATOM 119 CG LYS A 8 -0.132 8.233 -7.468 1.00 0.00 C ATOM 120 CD LYS A 8 -1.440 7.559 -7.079 1.00 0.00 C ATOM 121 CE LYS A 8 -2.601 8.080 -7.912 1.00 0.00 C ATOM 122 NZ LYS A 8 -3.887 7.429 -7.544 1.00 0.00 N ATOM 123 H LYS A 8 3.202 6.982 -5.521 1.00 0.00 H ATOM 124 HA LYS A 8 2.558 8.053 -8.083 1.00 0.00 H ATOM 125 1HB LYS A 8 1.036 6.635 -6.688 1.00 0.00 H ATOM 126 2HB LYS A 8 0.823 7.985 -5.583 1.00 0.00 H ATOM 127 1HG LYS A 8 -0.235 9.311 -7.333 1.00 0.00 H ATOM 128 2HG LYS A 8 0.071 8.034 -8.520 1.00 0.00 H ATOM 129 1HD LYS A 8 -1.352 6.482 -7.227 1.00 0.00 H ATOM 130 2HD LYS A 8 -1.647 7.748 -6.026 1.00 0.00 H ATOM 131 1HE LYS A 8 -2.698 9.155 -7.768 1.00 0.00 H ATOM 132 2HE LYS A 8 -2.404 7.894 -8.968 1.00 0.00 H ATOM 133 1HZ LYS A 8 -4.631 7.800 -8.118 1.00 0.00 H ATOM 134 2HZ LYS A 8 -3.815 6.432 -7.692 1.00 0.00 H ATOM 135 3HZ LYS A 8 -4.091 7.610 -6.571 1.00 0.00 H ATOM 136 N GLU A 9 2.645 10.229 -5.621 1.00 0.00 N ATOM 137 CA GLU A 9 2.742 11.654 -5.327 1.00 0.00 C ATOM 138 C GLU A 9 3.925 12.286 -6.049 1.00 0.00 C ATOM 139 O GLU A 9 3.847 13.425 -6.509 1.00 0.00 O ATOM 140 CB GLU A 9 2.872 11.880 -3.819 1.00 0.00 C ATOM 141 CG GLU A 9 1.609 11.575 -3.026 1.00 0.00 C ATOM 142 CD GLU A 9 1.754 11.871 -1.559 1.00 0.00 C ATOM 143 OE1 GLU A 9 2.831 12.231 -1.148 1.00 0.00 O ATOM 144 OE2 GLU A 9 0.786 11.736 -0.848 1.00 0.00 O ATOM 145 H GLU A 9 2.747 9.563 -4.869 1.00 0.00 H ATOM 146 HA GLU A 9 1.826 12.140 -5.664 1.00 0.00 H ATOM 147 1HB GLU A 9 3.673 11.254 -3.425 1.00 0.00 H ATOM 148 2HB GLU A 9 3.144 12.918 -3.629 1.00 0.00 H ATOM 149 1HG GLU A 9 0.789 12.171 -3.426 1.00 0.00 H ATOM 150 2HG GLU A 9 1.355 10.524 -3.157 1.00 0.00 H ATOM 151 N ALA A 10 5.021 11.541 -6.144 1.00 0.00 N ATOM 152 CA ALA A 10 6.211 12.014 -6.839 1.00 0.00 C ATOM 153 C ALA A 10 5.899 12.364 -8.289 1.00 0.00 C ATOM 154 O ALA A 10 6.418 13.343 -8.827 1.00 0.00 O ATOM 155 CB ALA A 10 7.314 10.967 -6.774 1.00 0.00 C ATOM 156 H ALA A 10 5.029 10.623 -5.723 1.00 0.00 H ATOM 157 HA ALA A 10 6.576 12.909 -6.334 1.00 0.00 H ATOM 158 1HB ALA A 10 8.196 11.334 -7.297 1.00 0.00 H ATOM 159 2HB ALA A 10 7.566 10.769 -5.732 1.00 0.00 H ATOM 160 3HB ALA A 10 6.970 10.047 -7.244 1.00 0.00 H ATOM 161 N LEU A 11 5.048 11.561 -8.917 1.00 0.00 N ATOM 162 CA LEU A 11 4.642 11.801 -10.296 1.00 0.00 C ATOM 163 C LEU A 11 3.697 12.993 -10.392 1.00 0.00 C ATOM 164 O LEU A 11 3.878 13.875 -11.232 1.00 0.00 O ATOM 165 CB LEU A 11 3.962 10.554 -10.874 1.00 0.00 C ATOM 166 CG LEU A 11 4.894 9.546 -11.560 1.00 0.00 C ATOM 167 CD1 LEU A 11 5.971 9.101 -10.580 1.00 0.00 C ATOM 168 CD2 LEU A 11 4.081 8.359 -12.056 1.00 0.00 C ATOM 169 H LEU A 11 4.672 10.762 -8.425 1.00 0.00 H ATOM 170 HA LEU A 11 5.534 12.014 -10.887 1.00 0.00 H ATOM 171 1HB LEU A 11 3.448 10.033 -10.068 1.00 0.00 H ATOM 172 2HB LEU A 11 3.220 10.870 -11.606 1.00 0.00 H ATOM 173 HG LEU A 11 5.389 10.025 -12.405 1.00 0.00 H ATOM 174 1HD1 LEU A 11 6.633 8.385 -11.068 1.00 0.00 H ATOM 175 2HD1 LEU A 11 6.549 9.966 -10.257 1.00 0.00 H ATOM 176 3HD1 LEU A 11 5.504 8.632 -9.715 1.00 0.00 H ATOM 177 1HD2 LEU A 11 4.743 7.644 -12.544 1.00 0.00 H ATOM 178 2HD2 LEU A 11 3.586 7.879 -11.212 1.00 0.00 H ATOM 179 3HD2 LEU A 11 3.331 8.704 -12.768 1.00 0.00 H ATOM 180 N ARG A 12 2.690 13.014 -9.526 1.00 0.00 N ATOM 181 CA ARG A 12 1.644 14.028 -9.591 1.00 0.00 C ATOM 182 C ARG A 12 2.224 15.427 -9.433 1.00 0.00 C ATOM 183 O ARG A 12 1.809 16.363 -10.116 1.00 0.00 O ATOM 184 CB ARG A 12 0.599 13.791 -8.510 1.00 0.00 C ATOM 185 CG ARG A 12 -0.590 14.737 -8.552 1.00 0.00 C ATOM 186 CD ARG A 12 -1.638 14.344 -7.576 1.00 0.00 C ATOM 187 NE ARG A 12 -1.209 14.559 -6.203 1.00 0.00 N ATOM 188 CZ ARG A 12 -1.718 13.918 -5.133 1.00 0.00 C ATOM 189 NH1 ARG A 12 -2.672 13.027 -5.293 1.00 0.00 N ATOM 190 NH2 ARG A 12 -1.259 14.184 -3.923 1.00 0.00 N ATOM 191 H ARG A 12 2.646 12.309 -8.804 1.00 0.00 H ATOM 192 HA ARG A 12 1.156 13.960 -10.564 1.00 0.00 H ATOM 193 1HB ARG A 12 0.215 12.775 -8.593 1.00 0.00 H ATOM 194 2HB ARG A 12 1.063 13.886 -7.528 1.00 0.00 H ATOM 195 1HG ARG A 12 -0.259 15.748 -8.312 1.00 0.00 H ATOM 196 2HG ARG A 12 -1.029 14.726 -9.550 1.00 0.00 H ATOM 197 1HD ARG A 12 -2.536 14.937 -7.748 1.00 0.00 H ATOM 198 2HD ARG A 12 -1.872 13.287 -7.698 1.00 0.00 H ATOM 199 HE ARG A 12 -0.477 15.237 -6.040 1.00 0.00 H ATOM 200 1HH1 ARG A 12 -3.023 12.823 -6.218 1.00 0.00 H ATOM 201 2HH1 ARG A 12 -3.053 12.546 -4.491 1.00 0.00 H ATOM 202 1HH2 ARG A 12 -0.526 14.869 -3.800 1.00 0.00 H ATOM 203 2HH2 ARG A 12 -1.640 13.704 -3.121 1.00 0.00 H ATOM 204 N HIS A 13 3.188 15.565 -8.528 1.00 0.00 N ATOM 205 CA HIS A 13 3.732 16.872 -8.180 1.00 0.00 C ATOM 206 C HIS A 13 5.094 17.091 -8.826 1.00 0.00 C ATOM 207 O HIS A 13 5.785 18.064 -8.524 1.00 0.00 O ATOM 208 CB HIS A 13 3.851 17.021 -6.660 1.00 0.00 C ATOM 209 CG HIS A 13 2.538 16.957 -5.944 1.00 0.00 C ATOM 210 ND1 HIS A 13 1.641 18.005 -5.941 1.00 0.00 N ATOM 211 CD2 HIS A 13 1.971 15.974 -5.207 1.00 0.00 C ATOM 212 CE1 HIS A 13 0.577 17.667 -5.233 1.00 0.00 C ATOM 213 NE2 HIS A 13 0.753 16.440 -4.778 1.00 0.00 N ATOM 214 H HIS A 13 3.553 14.742 -8.069 1.00 0.00 H ATOM 215 HA HIS A 13 3.047 17.640 -8.541 1.00 0.00 H ATOM 216 1HB HIS A 13 4.494 16.232 -6.266 1.00 0.00 H ATOM 217 2HB HIS A 13 4.323 17.975 -6.423 1.00 0.00 H ATOM 218 HD1 HIS A 13 1.726 18.858 -6.457 1.00 0.00 H ATOM 219 HD2 HIS A 13 2.300 14.971 -4.931 1.00 0.00 H ATOM 220 HE1 HIS A 13 -0.252 18.363 -5.111 1.00 0.00 H ATOM 221 N ASN A 14 5.474 16.181 -9.717 1.00 0.00 N ATOM 222 CA ASN A 14 6.754 16.274 -10.408 1.00 0.00 C ATOM 223 C ASN A 14 7.886 16.570 -9.433 1.00 0.00 C ATOM 224 O ASN A 14 8.655 17.513 -9.627 1.00 0.00 O ATOM 225 CB ASN A 14 6.697 17.329 -11.497 1.00 0.00 C ATOM 226 CG ASN A 14 7.841 17.220 -12.467 1.00 0.00 C ATOM 227 OD1 ASN A 14 8.348 16.123 -12.727 1.00 0.00 O ATOM 228 ND2 ASN A 14 8.257 18.337 -13.007 1.00 0.00 N ATOM 229 H ASN A 14 4.861 15.405 -9.919 1.00 0.00 H ATOM 230 HA ASN A 14 6.969 15.309 -10.869 1.00 0.00 H ATOM 231 1HB ASN A 14 5.760 17.236 -12.046 1.00 0.00 H ATOM 232 2HB ASN A 14 6.714 18.321 -11.044 1.00 0.00 H ATOM 233 1HD2 ASN A 14 9.015 18.326 -13.660 1.00 0.00 H ATOM 234 2HD2 ASN A 14 7.817 19.203 -12.767 1.00 0.00 H ATOM 235 N THR A 15 7.986 15.760 -8.385 1.00 0.00 N ATOM 236 CA THR A 15 8.910 16.030 -7.291 1.00 0.00 C ATOM 237 C THR A 15 9.692 14.780 -6.907 1.00 0.00 C ATOM 238 O THR A 15 9.543 13.729 -7.530 1.00 0.00 O ATOM 239 CB THR A 15 8.166 16.574 -6.058 1.00 0.00 C ATOM 240 OG1 THR A 15 9.116 17.039 -5.090 1.00 0.00 O ATOM 241 CG2 THR A 15 7.302 15.488 -5.435 1.00 0.00 C ATOM 242 H THR A 15 7.404 14.935 -8.345 1.00 0.00 H ATOM 243 HA THR A 15 9.615 16.797 -7.616 1.00 0.00 H ATOM 244 HB THR A 15 7.532 17.409 -6.355 1.00 0.00 H ATOM 245 HG1 THR A 15 8.681 17.638 -4.478 1.00 0.00 H ATOM 246 1HG2 THR A 15 6.783 15.891 -4.565 1.00 0.00 H ATOM 247 2HG2 THR A 15 6.571 15.141 -6.165 1.00 0.00 H ATOM 248 3HG2 THR A 15 7.932 14.654 -5.127 1.00 0.00 H ATOM 249 N THR A 16 10.524 14.901 -5.880 1.00 0.00 N ATOM 250 CA THR A 16 11.308 13.772 -5.391 1.00 0.00 C ATOM 251 C THR A 16 10.829 13.323 -4.017 1.00 0.00 C ATOM 252 O THR A 16 10.671 14.137 -3.108 1.00 0.00 O ATOM 253 CB THR A 16 12.806 14.124 -5.326 1.00 0.00 C ATOM 254 OG1 THR A 16 13.286 14.425 -6.643 1.00 0.00 O ATOM 255 CG2 THR A 16 13.602 12.962 -4.753 1.00 0.00 C ATOM 256 H THR A 16 10.617 15.798 -5.424 1.00 0.00 H ATOM 257 HA THR A 16 11.193 12.943 -6.091 1.00 0.00 H ATOM 258 HB THR A 16 12.947 15.000 -4.694 1.00 0.00 H ATOM 259 HG1 THR A 16 12.913 15.259 -6.936 1.00 0.00 H ATOM 260 1HG2 THR A 16 14.658 13.228 -4.715 1.00 0.00 H ATOM 261 2HG2 THR A 16 13.247 12.738 -3.748 1.00 0.00 H ATOM 262 3HG2 THR A 16 13.473 12.085 -5.387 1.00 0.00 H ATOM 263 N VAL A 17 10.598 12.022 -3.873 1.00 0.00 N ATOM 264 CA VAL A 17 10.153 11.459 -2.604 1.00 0.00 C ATOM 265 C VAL A 17 11.083 10.346 -2.139 1.00 0.00 C ATOM 266 O VAL A 17 11.628 9.599 -2.953 1.00 0.00 O ATOM 267 CB VAL A 17 8.722 10.907 -2.737 1.00 0.00 C ATOM 268 CG1 VAL A 17 7.777 11.990 -3.237 1.00 0.00 C ATOM 269 CG2 VAL A 17 8.714 9.710 -3.676 1.00 0.00 C ATOM 270 H VAL A 17 10.735 11.407 -4.663 1.00 0.00 H ATOM 271 HA VAL A 17 10.154 12.251 -1.855 1.00 0.00 H ATOM 272 HB VAL A 17 8.367 10.600 -1.753 1.00 0.00 H ATOM 273 1HG1 VAL A 17 6.770 11.582 -3.325 1.00 0.00 H ATOM 274 2HG1 VAL A 17 7.771 12.821 -2.532 1.00 0.00 H ATOM 275 3HG1 VAL A 17 8.112 12.342 -4.212 1.00 0.00 H ATOM 276 1HG2 VAL A 17 7.699 9.324 -3.765 1.00 0.00 H ATOM 277 2HG2 VAL A 17 9.074 10.015 -4.658 1.00 0.00 H ATOM 278 3HG2 VAL A 17 9.364 8.931 -3.277 1.00 0.00 H ATOM 279 N THR A 18 11.259 10.239 -0.827 1.00 0.00 N ATOM 280 CA THR A 18 12.099 9.195 -0.249 1.00 0.00 C ATOM 281 C THR A 18 11.269 8.202 0.553 1.00 0.00 C ATOM 282 O THR A 18 10.554 8.582 1.480 1.00 0.00 O ATOM 283 CB THR A 18 13.195 9.798 0.649 1.00 0.00 C ATOM 284 OG1 THR A 18 14.045 10.646 -0.134 1.00 0.00 O ATOM 285 CG2 THR A 18 14.030 8.697 1.285 1.00 0.00 C ATOM 286 H THR A 18 10.801 10.897 -0.213 1.00 0.00 H ATOM 287 HA THR A 18 12.595 8.662 -1.061 1.00 0.00 H ATOM 288 HB THR A 18 12.733 10.395 1.435 1.00 0.00 H ATOM 289 HG1 THR A 18 13.563 11.437 -0.386 1.00 0.00 H ATOM 290 1HG2 THR A 18 14.799 9.142 1.916 1.00 0.00 H ATOM 291 2HG2 THR A 18 13.388 8.057 1.890 1.00 0.00 H ATOM 292 3HG2 THR A 18 14.502 8.102 0.504 1.00 0.00 H ATOM 293 N TRP A 19 11.370 6.927 0.193 1.00 0.00 N ATOM 294 CA TRP A 19 10.753 5.860 0.972 1.00 0.00 C ATOM 295 C TRP A 19 11.807 5.012 1.674 1.00 0.00 C ATOM 296 O TRP A 19 12.822 4.649 1.080 1.00 0.00 O ATOM 297 CB TRP A 19 9.894 4.970 0.071 1.00 0.00 C ATOM 298 CG TRP A 19 9.283 3.805 0.789 1.00 0.00 C ATOM 299 CD1 TRP A 19 8.099 3.793 1.463 1.00 0.00 C ATOM 300 CD2 TRP A 19 9.825 2.468 0.908 1.00 0.00 C ATOM 301 NE1 TRP A 19 7.868 2.547 1.992 1.00 0.00 N ATOM 302 CE2 TRP A 19 8.914 1.723 1.661 1.00 0.00 C ATOM 303 CE3 TRP A 19 10.994 1.852 0.442 1.00 0.00 C ATOM 304 CZ2 TRP A 19 9.130 0.388 1.965 1.00 0.00 C ATOM 305 CZ3 TRP A 19 11.210 0.513 0.745 1.00 0.00 C ATOM 306 CH2 TRP A 19 10.302 -0.199 1.487 1.00 0.00 C ATOM 307 H TRP A 19 11.886 6.692 -0.643 1.00 0.00 H ATOM 308 HA TRP A 19 10.108 6.310 1.726 1.00 0.00 H ATOM 309 1HB TRP A 19 9.091 5.563 -0.366 1.00 0.00 H ATOM 310 2HB TRP A 19 10.502 4.587 -0.748 1.00 0.00 H ATOM 311 HD1 TRP A 19 7.432 4.648 1.567 1.00 0.00 H ATOM 312 HE1 TRP A 19 7.061 2.280 2.537 1.00 0.00 H ATOM 313 HE3 TRP A 19 11.717 2.412 -0.150 1.00 0.00 H ATOM 314 HZ2 TRP A 19 8.421 -0.194 2.553 1.00 0.00 H ATOM 315 HZ3 TRP A 19 12.123 0.042 0.379 1.00 0.00 H ATOM 316 HH2 TRP A 19 10.503 -1.248 1.707 1.00 0.00 H ATOM 317 N ARG A 20 11.558 4.700 2.941 1.00 0.00 N ATOM 318 CA ARG A 20 12.500 3.921 3.737 1.00 0.00 C ATOM 319 C ARG A 20 11.787 2.828 4.522 1.00 0.00 C ATOM 320 O ARG A 20 10.706 3.049 5.070 1.00 0.00 O ATOM 321 CB ARG A 20 13.257 4.822 4.702 1.00 0.00 C ATOM 322 CG ARG A 20 14.136 5.871 4.041 1.00 0.00 C ATOM 323 CD ARG A 20 14.854 6.698 5.045 1.00 0.00 C ATOM 324 NE ARG A 20 15.588 7.789 4.424 1.00 0.00 N ATOM 325 CZ ARG A 20 16.829 7.682 3.911 1.00 0.00 C ATOM 326 NH1 ARG A 20 17.460 6.530 3.952 1.00 0.00 N ATOM 327 NH2 ARG A 20 17.412 8.736 3.367 1.00 0.00 N ATOM 328 H ARG A 20 10.695 5.009 3.364 1.00 0.00 H ATOM 329 HA ARG A 20 13.220 3.455 3.064 1.00 0.00 H ATOM 330 1HB ARG A 20 12.549 5.343 5.345 1.00 0.00 H ATOM 331 2HB ARG A 20 13.895 4.213 5.343 1.00 0.00 H ATOM 332 1HG ARG A 20 14.876 5.380 3.409 1.00 0.00 H ATOM 333 2HG ARG A 20 13.519 6.532 3.431 1.00 0.00 H ATOM 334 1HD ARG A 20 14.137 7.125 5.745 1.00 0.00 H ATOM 335 2HD ARG A 20 15.564 6.075 5.588 1.00 0.00 H ATOM 336 HE ARG A 20 15.135 8.692 4.374 1.00 0.00 H ATOM 337 1HH1 ARG A 20 17.014 5.724 4.368 1.00 0.00 H ATOM 338 2HH1 ARG A 20 18.390 6.449 3.567 1.00 0.00 H ATOM 339 1HH2 ARG A 20 16.927 9.622 3.335 1.00 0.00 H ATOM 340 2HH2 ARG A 20 18.342 8.656 2.982 1.00 0.00 H ATOM 341 N HIS A 21 12.396 1.650 4.573 1.00 0.00 N ATOM 342 CA HIS A 21 11.945 0.591 5.468 1.00 0.00 C ATOM 343 C HIS A 21 13.075 -0.378 5.789 1.00 0.00 C ATOM 344 O HIS A 21 13.662 -0.982 4.891 1.00 0.00 O ATOM 345 CB HIS A 21 10.768 -0.173 4.853 1.00 0.00 C ATOM 346 CG HIS A 21 10.160 -1.185 5.774 1.00 0.00 C ATOM 347 ND1 HIS A 21 9.434 -0.832 6.892 1.00 0.00 N ATOM 348 CD2 HIS A 21 10.171 -2.539 5.744 1.00 0.00 C ATOM 349 CE1 HIS A 21 9.023 -1.926 7.509 1.00 0.00 C ATOM 350 NE2 HIS A 21 9.458 -2.974 6.833 1.00 0.00 N ATOM 351 H HIS A 21 13.194 1.482 3.976 1.00 0.00 H ATOM 352 HA HIS A 21 11.601 1.048 6.398 1.00 0.00 H ATOM 353 1HB HIS A 21 9.990 0.532 4.559 1.00 0.00 H ATOM 354 2HB HIS A 21 11.100 -0.688 3.952 1.00 0.00 H ATOM 355 HD1 HIS A 21 9.176 0.096 7.160 1.00 0.00 H ATOM 356 HD2 HIS A 21 10.615 -3.261 5.058 1.00 0.00 H ATOM 357 HE1 HIS A 21 8.429 -1.859 8.420 1.00 0.00 H ATOM 358 N LEU A 22 13.375 -0.524 7.076 1.00 0.00 N ATOM 359 CA LEU A 22 14.505 -1.337 7.511 1.00 0.00 C ATOM 360 C LEU A 22 15.809 -0.842 6.899 1.00 0.00 C ATOM 361 O LEU A 22 16.333 0.201 7.291 1.00 0.00 O ATOM 362 CB LEU A 22 14.280 -2.806 7.129 1.00 0.00 C ATOM 363 CG LEU A 22 13.051 -3.475 7.756 1.00 0.00 C ATOM 364 CD1 LEU A 22 12.838 -4.843 7.122 1.00 0.00 C ATOM 365 CD2 LEU A 22 13.249 -3.595 9.260 1.00 0.00 C ATOM 366 H LEU A 22 12.808 -0.059 7.770 1.00 0.00 H ATOM 367 HA LEU A 22 14.580 -1.270 8.597 1.00 0.00 H ATOM 368 1HB LEU A 22 14.177 -2.871 6.047 1.00 0.00 H ATOM 369 2HB LEU A 22 15.158 -3.380 7.425 1.00 0.00 H ATOM 370 HG LEU A 22 12.165 -2.872 7.554 1.00 0.00 H ATOM 371 1HD1 LEU A 22 11.964 -5.319 7.567 1.00 0.00 H ATOM 372 2HD1 LEU A 22 12.679 -4.726 6.050 1.00 0.00 H ATOM 373 3HD1 LEU A 22 13.716 -5.464 7.294 1.00 0.00 H ATOM 374 1HD2 LEU A 22 12.375 -4.070 9.706 1.00 0.00 H ATOM 375 2HD2 LEU A 22 14.134 -4.199 9.463 1.00 0.00 H ATOM 376 3HD2 LEU A 22 13.381 -2.602 9.689 1.00 0.00 H ATOM 377 N THR A 23 16.329 -1.596 5.936 1.00 0.00 N ATOM 378 CA THR A 23 17.628 -1.296 5.345 1.00 0.00 C ATOM 379 C THR A 23 17.490 -0.926 3.873 1.00 0.00 C ATOM 380 O THR A 23 18.486 -0.757 3.171 1.00 0.00 O ATOM 381 CB THR A 23 18.592 -2.487 5.490 1.00 0.00 C ATOM 382 OG1 THR A 23 18.060 -3.624 4.798 1.00 0.00 O ATOM 383 CG2 THR A 23 18.789 -2.838 6.957 1.00 0.00 C ATOM 384 H THR A 23 15.811 -2.397 5.605 1.00 0.00 H ATOM 385 HA THR A 23 18.063 -0.450 5.879 1.00 0.00 H ATOM 386 HB THR A 23 19.556 -2.230 5.052 1.00 0.00 H ATOM 387 HG1 THR A 23 18.246 -3.542 3.859 1.00 0.00 H ATOM 388 1HG2 THR A 23 19.474 -3.682 7.041 1.00 0.00 H ATOM 389 2HG2 THR A 23 19.204 -1.979 7.484 1.00 0.00 H ATOM 390 3HG2 THR A 23 17.830 -3.105 7.399 1.00 0.00 H ATOM 391 N THR A 24 16.251 -0.800 3.413 1.00 0.00 N ATOM 392 CA THR A 24 15.980 -0.507 2.010 1.00 0.00 C ATOM 393 C THR A 24 15.525 0.935 1.827 1.00 0.00 C ATOM 394 O THR A 24 14.627 1.406 2.525 1.00 0.00 O ATOM 395 CB THR A 24 14.914 -1.461 1.440 1.00 0.00 C ATOM 396 OG1 THR A 24 15.387 -2.812 1.521 1.00 0.00 O ATOM 397 CG2 THR A 24 14.614 -1.119 -0.012 1.00 0.00 C ATOM 398 H THR A 24 15.475 -0.912 4.050 1.00 0.00 H ATOM 399 HA THR A 24 16.898 -0.659 1.442 1.00 0.00 H ATOM 400 HB THR A 24 13.999 -1.375 2.024 1.00 0.00 H ATOM 401 HG1 THR A 24 15.356 -3.107 2.434 1.00 0.00 H ATOM 402 1HG2 THR A 24 13.859 -1.804 -0.398 1.00 0.00 H ATOM 403 2HG2 THR A 24 14.244 -0.096 -0.075 1.00 0.00 H ATOM 404 3HG2 THR A 24 15.524 -1.213 -0.603 1.00 0.00 H ATOM 405 N THR A 25 16.151 1.632 0.886 1.00 0.00 N ATOM 406 CA THR A 25 15.739 2.986 0.533 1.00 0.00 C ATOM 407 C THR A 25 15.443 3.101 -0.956 1.00 0.00 C ATOM 408 O THR A 25 16.234 2.665 -1.792 1.00 0.00 O ATOM 409 CB THR A 25 16.816 4.014 0.926 1.00 0.00 C ATOM 410 OG1 THR A 25 17.058 3.941 2.337 1.00 0.00 O ATOM 411 CG2 THR A 25 16.367 5.422 0.565 1.00 0.00 C ATOM 412 H THR A 25 16.932 1.214 0.400 1.00 0.00 H ATOM 413 HA THR A 25 14.833 3.229 1.090 1.00 0.00 H ATOM 414 HB THR A 25 17.744 3.789 0.400 1.00 0.00 H ATOM 415 HG1 THR A 25 17.522 3.125 2.539 1.00 0.00 H ATOM 416 1HG2 THR A 25 17.141 6.135 0.849 1.00 0.00 H ATOM 417 2HG2 THR A 25 16.193 5.484 -0.509 1.00 0.00 H ATOM 418 3HG2 THR A 25 15.445 5.657 1.095 1.00 0.00 H ATOM 419 N ILE A 26 14.297 3.692 -1.282 1.00 0.00 N ATOM 420 CA ILE A 26 13.893 3.863 -2.673 1.00 0.00 C ATOM 421 C ILE A 26 13.561 5.319 -2.974 1.00 0.00 C ATOM 422 O ILE A 26 12.759 5.940 -2.277 1.00 0.00 O ATOM 423 CB ILE A 26 12.678 2.979 -3.005 1.00 0.00 C ATOM 424 CG1 ILE A 26 13.019 1.501 -2.797 1.00 0.00 C ATOM 425 CG2 ILE A 26 12.215 3.225 -4.433 1.00 0.00 C ATOM 426 CD1 ILE A 26 11.824 0.580 -2.884 1.00 0.00 C ATOM 427 H ILE A 26 13.692 4.030 -0.548 1.00 0.00 H ATOM 428 HA ILE A 26 14.719 3.553 -3.314 1.00 0.00 H ATOM 429 HB ILE A 26 11.861 3.212 -2.323 1.00 0.00 H ATOM 430 1HG1 ILE A 26 13.747 1.188 -3.544 1.00 0.00 H ATOM 431 2HG1 ILE A 26 13.480 1.369 -1.817 1.00 0.00 H ATOM 432 1HG2 ILE A 26 11.355 2.592 -4.651 1.00 0.00 H ATOM 433 2HG2 ILE A 26 11.933 4.271 -4.548 1.00 0.00 H ATOM 434 3HG2 ILE A 26 13.024 2.989 -5.123 1.00 0.00 H ATOM 435 1HD1 ILE A 26 12.146 -0.450 -2.725 1.00 0.00 H ATOM 436 2HD1 ILE A 26 11.096 0.854 -2.119 1.00 0.00 H ATOM 437 3HD1 ILE A 26 11.368 0.669 -3.868 1.00 0.00 H ATOM 438 N ILE A 27 14.181 5.859 -4.017 1.00 0.00 N ATOM 439 CA ILE A 27 13.924 7.232 -4.435 1.00 0.00 C ATOM 440 C ILE A 27 13.154 7.273 -5.748 1.00 0.00 C ATOM 441 O ILE A 27 13.566 6.673 -6.741 1.00 0.00 O ATOM 442 CB ILE A 27 15.241 8.016 -4.586 1.00 0.00 C ATOM 443 CG1 ILE A 27 16.102 7.862 -3.330 1.00 0.00 C ATOM 444 CG2 ILE A 27 14.957 9.484 -4.865 1.00 0.00 C ATOM 445 CD1 ILE A 27 15.435 8.363 -2.068 1.00 0.00 C ATOM 446 H ILE A 27 14.849 5.305 -4.533 1.00 0.00 H ATOM 447 HA ILE A 27 13.329 7.723 -3.664 1.00 0.00 H ATOM 448 HB ILE A 27 15.816 7.604 -5.414 1.00 0.00 H ATOM 449 1HG1 ILE A 27 16.355 6.812 -3.188 1.00 0.00 H ATOM 450 2HG1 ILE A 27 17.036 8.408 -3.460 1.00 0.00 H ATOM 451 1HG2 ILE A 27 15.898 10.023 -4.969 1.00 0.00 H ATOM 452 2HG2 ILE A 27 14.384 9.575 -5.786 1.00 0.00 H ATOM 453 3HG2 ILE A 27 14.386 9.907 -4.038 1.00 0.00 H ATOM 454 1HD1 ILE A 27 16.107 8.221 -1.221 1.00 0.00 H ATOM 455 2HD1 ILE A 27 15.205 9.423 -2.174 1.00 0.00 H ATOM 456 3HD1 ILE A 27 14.515 7.806 -1.898 1.00 0.00 H ATOM 457 N ILE A 28 12.031 7.984 -5.747 1.00 0.00 N ATOM 458 CA ILE A 28 11.192 8.092 -6.935 1.00 0.00 C ATOM 459 C ILE A 28 11.206 9.511 -7.491 1.00 0.00 C ATOM 460 O ILE A 28 10.785 10.454 -6.822 1.00 0.00 O ATOM 461 CB ILE A 28 9.743 7.676 -6.623 1.00 0.00 C ATOM 462 CG1 ILE A 28 9.711 6.275 -6.007 1.00 0.00 C ATOM 463 CG2 ILE A 28 8.893 7.726 -7.883 1.00 0.00 C ATOM 464 CD1 ILE A 28 9.535 6.272 -4.505 1.00 0.00 C ATOM 465 H ILE A 28 11.753 8.463 -4.902 1.00 0.00 H ATOM 466 HA ILE A 28 11.581 7.415 -7.696 1.00 0.00 H ATOM 467 HB ILE A 28 9.320 8.355 -5.884 1.00 0.00 H ATOM 468 1HG1 ILE A 28 8.895 5.703 -6.447 1.00 0.00 H ATOM 469 2HG1 ILE A 28 10.639 5.753 -6.241 1.00 0.00 H ATOM 470 1HG2 ILE A 28 7.872 7.428 -7.645 1.00 0.00 H ATOM 471 2HG2 ILE A 28 8.891 8.740 -8.281 1.00 0.00 H ATOM 472 3HG2 ILE A 28 9.305 7.045 -8.628 1.00 0.00 H ATOM 473 1HD1 ILE A 28 9.523 5.244 -4.142 1.00 0.00 H ATOM 474 2HD1 ILE A 28 10.362 6.811 -4.041 1.00 0.00 H ATOM 475 3HD1 ILE A 28 8.595 6.759 -4.248 1.00 0.00 H ATOM 476 N THR A 29 11.691 9.653 -8.721 1.00 0.00 N ATOM 477 CA THR A 29 11.793 10.961 -9.357 1.00 0.00 C ATOM 478 C THR A 29 11.086 10.974 -10.706 1.00 0.00 C ATOM 479 O THR A 29 10.891 12.031 -11.305 1.00 0.00 O ATOM 480 CB THR A 29 13.264 11.376 -9.540 1.00 0.00 C ATOM 481 OG1 THR A 29 13.913 10.464 -10.435 1.00 0.00 O ATOM 482 CG2 THR A 29 13.990 11.371 -8.203 1.00 0.00 C ATOM 483 H THR A 29 11.997 8.835 -9.226 1.00 0.00 H ATOM 484 HA THR A 29 11.319 11.699 -8.707 1.00 0.00 H ATOM 485 HB THR A 29 13.310 12.378 -9.967 1.00 0.00 H ATOM 486 HG1 THR A 29 13.688 10.691 -11.341 1.00 0.00 H ATOM 487 1HG2 THR A 29 15.028 11.667 -8.352 1.00 0.00 H ATOM 488 2HG2 THR A 29 13.506 12.072 -7.523 1.00 0.00 H ATOM 489 3HG2 THR A 29 13.957 10.370 -7.775 1.00 0.00 H ATOM 490 N SER A 30 10.707 9.792 -11.180 1.00 0.00 N ATOM 491 CA SER A 30 10.235 9.632 -12.551 1.00 0.00 C ATOM 492 C SER A 30 9.218 8.502 -12.655 1.00 0.00 C ATOM 493 O SER A 30 9.065 7.705 -11.730 1.00 0.00 O ATOM 494 CB SER A 30 11.404 9.359 -13.476 1.00 0.00 C ATOM 495 OG SER A 30 11.988 8.117 -13.196 1.00 0.00 O ATOM 496 H SER A 30 10.745 8.984 -10.575 1.00 0.00 H ATOM 497 HA SER A 30 9.758 10.562 -12.863 1.00 0.00 H ATOM 498 1HB SER A 30 11.061 9.378 -14.511 1.00 0.00 H ATOM 499 2HB SER A 30 12.148 10.147 -13.364 1.00 0.00 H ATOM 500 HG SER A 30 12.769 8.059 -13.751 1.00 0.00 H ATOM 501 N GLU A 31 8.525 8.440 -13.787 1.00 0.00 N ATOM 502 CA GLU A 31 7.506 7.421 -14.005 1.00 0.00 C ATOM 503 C GLU A 31 8.114 6.025 -14.015 1.00 0.00 C ATOM 504 O GLU A 31 7.520 5.074 -13.505 1.00 0.00 O ATOM 505 CB GLU A 31 6.771 7.676 -15.323 1.00 0.00 C ATOM 506 CG GLU A 31 5.961 8.965 -15.352 1.00 0.00 C ATOM 507 CD GLU A 31 6.812 10.184 -15.576 1.00 0.00 C ATOM 508 OE1 GLU A 31 7.994 10.034 -15.771 1.00 0.00 O ATOM 509 OE2 GLU A 31 6.278 11.269 -15.550 1.00 0.00 O ATOM 510 H GLU A 31 8.711 9.114 -14.515 1.00 0.00 H ATOM 511 HA GLU A 31 6.779 7.480 -13.195 1.00 0.00 H ATOM 512 1HB GLU A 31 7.491 7.715 -16.140 1.00 0.00 H ATOM 513 2HB GLU A 31 6.090 6.849 -15.526 1.00 0.00 H ATOM 514 1HG GLU A 31 5.223 8.900 -16.151 1.00 0.00 H ATOM 515 2HG GLU A 31 5.427 9.068 -14.409 1.00 0.00 H ATOM 516 N GLU A 32 9.302 5.906 -14.597 1.00 0.00 N ATOM 517 CA GLU A 32 9.960 4.613 -14.739 1.00 0.00 C ATOM 518 C GLU A 32 10.029 3.880 -13.406 1.00 0.00 C ATOM 519 O GLU A 32 9.792 2.675 -13.336 1.00 0.00 O ATOM 520 CB GLU A 32 11.369 4.791 -15.308 1.00 0.00 C ATOM 521 CG GLU A 32 12.119 3.489 -15.549 1.00 0.00 C ATOM 522 CD GLU A 32 13.473 3.700 -16.168 1.00 0.00 C ATOM 523 OE1 GLU A 32 13.827 4.829 -16.407 1.00 0.00 O ATOM 524 OE2 GLU A 32 14.154 2.729 -16.403 1.00 0.00 O ATOM 525 H GLU A 32 9.761 6.733 -14.950 1.00 0.00 H ATOM 526 HA GLU A 32 9.385 4.008 -15.441 1.00 0.00 H ATOM 527 1HB GLU A 32 11.314 5.326 -16.256 1.00 0.00 H ATOM 528 2HB GLU A 32 11.963 5.398 -14.624 1.00 0.00 H ATOM 529 1HG GLU A 32 12.244 2.972 -14.598 1.00 0.00 H ATOM 530 2HG GLU A 32 11.522 2.853 -16.201 1.00 0.00 H ATOM 531 N VAL A 33 10.357 4.616 -12.349 1.00 0.00 N ATOM 532 CA VAL A 33 10.477 4.033 -11.017 1.00 0.00 C ATOM 533 C VAL A 33 9.111 3.678 -10.446 1.00 0.00 C ATOM 534 O VAL A 33 8.929 2.605 -9.870 1.00 0.00 O ATOM 535 CB VAL A 33 11.188 5.014 -10.066 1.00 0.00 C ATOM 536 CG1 VAL A 33 11.207 4.462 -8.649 1.00 0.00 C ATOM 537 CG2 VAL A 33 12.602 5.280 -10.560 1.00 0.00 C ATOM 538 H VAL A 33 10.527 5.604 -12.470 1.00 0.00 H ATOM 539 HA VAL A 33 11.073 3.123 -11.092 1.00 0.00 H ATOM 540 HB VAL A 33 10.629 5.949 -10.040 1.00 0.00 H ATOM 541 1HG1 VAL A 33 11.713 5.168 -7.990 1.00 0.00 H ATOM 542 2HG1 VAL A 33 10.184 4.313 -8.303 1.00 0.00 H ATOM 543 3HG1 VAL A 33 11.738 3.510 -8.635 1.00 0.00 H ATOM 544 1HG2 VAL A 33 13.099 5.975 -9.883 1.00 0.00 H ATOM 545 2HG2 VAL A 33 13.159 4.344 -10.592 1.00 0.00 H ATOM 546 3HG2 VAL A 33 12.563 5.713 -11.560 1.00 0.00 H ATOM 547 N PHE A 34 8.153 4.584 -10.608 1.00 0.00 N ATOM 548 CA PHE A 34 6.789 4.347 -10.155 1.00 0.00 C ATOM 549 C PHE A 34 6.218 3.075 -10.768 1.00 0.00 C ATOM 550 O PHE A 34 5.665 2.229 -10.065 1.00 0.00 O ATOM 551 CB PHE A 34 5.894 5.536 -10.509 1.00 0.00 C ATOM 552 CG PHE A 34 4.428 5.271 -10.312 1.00 0.00 C ATOM 553 CD1 PHE A 34 3.854 5.371 -9.053 1.00 0.00 C ATOM 554 CD2 PHE A 34 3.621 4.922 -11.384 1.00 0.00 C ATOM 555 CE1 PHE A 34 2.505 5.127 -8.871 1.00 0.00 C ATOM 556 CE2 PHE A 34 2.273 4.680 -11.205 1.00 0.00 C ATOM 557 CZ PHE A 34 1.715 4.782 -9.947 1.00 0.00 C ATOM 558 H PHE A 34 8.377 5.461 -11.058 1.00 0.00 H ATOM 559 HA PHE A 34 6.799 4.238 -9.070 1.00 0.00 H ATOM 560 1HB PHE A 34 6.170 6.394 -9.896 1.00 0.00 H ATOM 561 2HB PHE A 34 6.052 5.813 -11.550 1.00 0.00 H ATOM 562 HD1 PHE A 34 4.479 5.645 -8.203 1.00 0.00 H ATOM 563 HD2 PHE A 34 4.062 4.841 -12.378 1.00 0.00 H ATOM 564 HE1 PHE A 34 2.067 5.208 -7.877 1.00 0.00 H ATOM 565 HE2 PHE A 34 1.650 4.407 -12.056 1.00 0.00 H ATOM 566 HZ PHE A 34 0.653 4.589 -9.804 1.00 0.00 H ATOM 567 N GLU A 35 6.356 2.944 -12.083 1.00 0.00 N ATOM 568 CA GLU A 35 5.821 1.791 -12.799 1.00 0.00 C ATOM 569 C GLU A 35 6.500 0.504 -12.353 1.00 0.00 C ATOM 570 O GLU A 35 5.853 -0.532 -12.207 1.00 0.00 O ATOM 571 CB GLU A 35 5.992 1.974 -14.308 1.00 0.00 C ATOM 572 CG GLU A 35 5.093 3.040 -14.919 1.00 0.00 C ATOM 573 CD GLU A 35 5.298 3.200 -16.400 1.00 0.00 C ATOM 574 OE1 GLU A 35 6.206 2.599 -16.923 1.00 0.00 O ATOM 575 OE2 GLU A 35 4.547 3.924 -17.008 1.00 0.00 O ATOM 576 H GLU A 35 6.843 3.662 -12.601 1.00 0.00 H ATOM 577 HA GLU A 35 4.754 1.716 -12.585 1.00 0.00 H ATOM 578 1HB GLU A 35 7.026 2.242 -14.528 1.00 0.00 H ATOM 579 2HB GLU A 35 5.784 1.031 -14.815 1.00 0.00 H ATOM 580 1HG GLU A 35 4.053 2.772 -14.735 1.00 0.00 H ATOM 581 2HG GLU A 35 5.288 3.990 -14.425 1.00 0.00 H ATOM 582 N THR A 36 7.810 0.574 -12.139 1.00 0.00 N ATOM 583 CA THR A 36 8.569 -0.568 -11.646 1.00 0.00 C ATOM 584 C THR A 36 8.052 -1.028 -10.289 1.00 0.00 C ATOM 585 O THR A 36 7.886 -2.225 -10.050 1.00 0.00 O ATOM 586 CB THR A 36 10.069 -0.234 -11.541 1.00 0.00 C ATOM 587 OG1 THR A 36 10.582 0.081 -12.842 1.00 0.00 O ATOM 588 CG2 THR A 36 10.839 -1.413 -10.968 1.00 0.00 C ATOM 589 H THR A 36 8.293 1.443 -12.323 1.00 0.00 H ATOM 590 HA THR A 36 8.462 -1.388 -12.357 1.00 0.00 H ATOM 591 HB THR A 36 10.204 0.631 -10.893 1.00 0.00 H ATOM 592 HG1 THR A 36 10.252 0.940 -13.116 1.00 0.00 H ATOM 593 1HG2 THR A 36 11.897 -1.159 -10.901 1.00 0.00 H ATOM 594 2HG2 THR A 36 10.458 -1.648 -9.974 1.00 0.00 H ATOM 595 3HG2 THR A 36 10.715 -2.279 -11.617 1.00 0.00 H ATOM 596 N ILE A 37 7.799 -0.072 -9.403 1.00 0.00 N ATOM 597 CA ILE A 37 7.253 -0.374 -8.084 1.00 0.00 C ATOM 598 C ILE A 37 5.898 -1.060 -8.194 1.00 0.00 C ATOM 599 O ILE A 37 5.663 -2.095 -7.570 1.00 0.00 O ATOM 600 CB ILE A 37 7.113 0.907 -7.241 1.00 0.00 C ATOM 601 CG1 ILE A 37 8.493 1.446 -6.857 1.00 0.00 C ATOM 602 CG2 ILE A 37 6.279 0.637 -5.998 1.00 0.00 C ATOM 603 CD1 ILE A 37 8.471 2.866 -6.338 1.00 0.00 C ATOM 604 H ILE A 37 7.989 0.889 -9.647 1.00 0.00 H ATOM 605 HA ILE A 37 7.943 -1.043 -7.569 1.00 0.00 H ATOM 606 HB ILE A 37 6.626 1.681 -7.833 1.00 0.00 H ATOM 607 1HG1 ILE A 37 8.932 0.809 -6.090 1.00 0.00 H ATOM 608 2HG1 ILE A 37 9.152 1.412 -7.725 1.00 0.00 H ATOM 609 1HG2 ILE A 37 6.190 1.552 -5.413 1.00 0.00 H ATOM 610 2HG2 ILE A 37 5.286 0.298 -6.293 1.00 0.00 H ATOM 611 3HG2 ILE A 37 6.761 -0.133 -5.396 1.00 0.00 H ATOM 612 1HD1 ILE A 37 9.485 3.178 -6.087 1.00 0.00 H ATOM 613 2HD1 ILE A 37 8.067 3.528 -7.105 1.00 0.00 H ATOM 614 3HD1 ILE A 37 7.846 2.918 -5.448 1.00 0.00 H ATOM 615 N LYS A 38 5.007 -0.478 -8.991 1.00 0.00 N ATOM 616 CA LYS A 38 3.647 -0.986 -9.120 1.00 0.00 C ATOM 617 C LYS A 38 3.642 -2.428 -9.608 1.00 0.00 C ATOM 618 O LYS A 38 2.938 -3.277 -9.061 1.00 0.00 O ATOM 619 CB LYS A 38 2.834 -0.106 -10.070 1.00 0.00 C ATOM 620 CG LYS A 38 1.366 -0.496 -10.188 1.00 0.00 C ATOM 621 CD LYS A 38 0.604 0.480 -11.071 1.00 0.00 C ATOM 622 CE LYS A 38 -0.855 0.073 -11.218 1.00 0.00 C ATOM 623 NZ LYS A 38 -1.606 1.003 -12.103 1.00 0.00 N ATOM 624 H LYS A 38 5.281 0.338 -9.519 1.00 0.00 H ATOM 625 HA LYS A 38 3.168 -0.946 -8.141 1.00 0.00 H ATOM 626 1HB LYS A 38 2.878 0.930 -9.734 1.00 0.00 H ATOM 627 2HB LYS A 38 3.271 -0.146 -11.068 1.00 0.00 H ATOM 628 1HG LYS A 38 1.289 -1.497 -10.615 1.00 0.00 H ATOM 629 2HG LYS A 38 0.912 -0.508 -9.198 1.00 0.00 H ATOM 630 1HD LYS A 38 0.652 1.479 -10.636 1.00 0.00 H ATOM 631 2HD LYS A 38 1.063 0.511 -12.059 1.00 0.00 H ATOM 632 1HE LYS A 38 -0.911 -0.932 -11.636 1.00 0.00 H ATOM 633 2HE LYS A 38 -1.330 0.061 -10.237 1.00 0.00 H ATOM 634 1HZ LYS A 38 -2.567 0.699 -12.173 1.00 0.00 H ATOM 635 2HZ LYS A 38 -1.576 1.936 -11.714 1.00 0.00 H ATOM 636 3HZ LYS A 38 -1.187 1.008 -13.021 1.00 0.00 H ATOM 637 N LYS A 39 4.431 -2.700 -10.643 1.00 0.00 N ATOM 638 CA LYS A 39 4.453 -4.018 -11.264 1.00 0.00 C ATOM 639 C LYS A 39 4.963 -5.076 -10.292 1.00 0.00 C ATOM 640 O LYS A 39 4.420 -6.179 -10.219 1.00 0.00 O ATOM 641 CB LYS A 39 5.317 -4.001 -12.526 1.00 0.00 C ATOM 642 CG LYS A 39 4.703 -3.249 -13.699 1.00 0.00 C ATOM 643 CD LYS A 39 5.641 -3.232 -14.897 1.00 0.00 C ATOM 644 CE LYS A 39 5.033 -2.471 -16.066 1.00 0.00 C ATOM 645 NZ LYS A 39 5.945 -2.436 -17.241 1.00 0.00 N ATOM 646 H LYS A 39 5.030 -1.974 -11.008 1.00 0.00 H ATOM 647 HA LYS A 39 3.436 -4.279 -11.561 1.00 0.00 H ATOM 648 1HB LYS A 39 6.280 -3.541 -12.301 1.00 0.00 H ATOM 649 2HB LYS A 39 5.511 -5.025 -12.849 1.00 0.00 H ATOM 650 1HG LYS A 39 3.767 -3.729 -13.988 1.00 0.00 H ATOM 651 2HG LYS A 39 4.488 -2.224 -13.401 1.00 0.00 H ATOM 652 1HD LYS A 39 6.582 -2.758 -14.615 1.00 0.00 H ATOM 653 2HD LYS A 39 5.850 -4.255 -15.210 1.00 0.00 H ATOM 654 1HE LYS A 39 4.098 -2.945 -16.361 1.00 0.00 H ATOM 655 2HE LYS A 39 4.815 -1.448 -15.760 1.00 0.00 H ATOM 656 1HZ LYS A 39 5.506 -1.923 -17.993 1.00 0.00 H ATOM 657 2HZ LYS A 39 6.810 -1.981 -16.984 1.00 0.00 H ATOM 658 3HZ LYS A 39 6.139 -3.379 -17.546 1.00 0.00 H ATOM 659 N ARG A 40 6.010 -4.733 -9.549 1.00 0.00 N ATOM 660 CA ARG A 40 6.619 -5.666 -8.608 1.00 0.00 C ATOM 661 C ARG A 40 5.658 -6.011 -7.477 1.00 0.00 C ATOM 662 O ARG A 40 5.680 -7.123 -6.949 1.00 0.00 O ATOM 663 CB ARG A 40 7.896 -5.080 -8.023 1.00 0.00 C ATOM 664 CG ARG A 40 9.076 -5.035 -8.981 1.00 0.00 C ATOM 665 CD ARG A 40 10.256 -4.374 -8.368 1.00 0.00 C ATOM 666 NE ARG A 40 11.403 -4.375 -9.262 1.00 0.00 N ATOM 667 CZ ARG A 40 12.573 -3.757 -9.006 1.00 0.00 C ATOM 668 NH1 ARG A 40 12.734 -3.095 -7.882 1.00 0.00 N ATOM 669 NH2 ARG A 40 13.558 -3.818 -9.885 1.00 0.00 N ATOM 670 H ARG A 40 6.394 -3.803 -9.639 1.00 0.00 H ATOM 671 HA ARG A 40 6.873 -6.581 -9.142 1.00 0.00 H ATOM 672 1HB ARG A 40 7.707 -4.062 -7.685 1.00 0.00 H ATOM 673 2HB ARG A 40 8.199 -5.663 -7.154 1.00 0.00 H ATOM 674 1HG ARG A 40 9.357 -6.051 -9.260 1.00 0.00 H ATOM 675 2HG ARG A 40 8.797 -4.477 -9.876 1.00 0.00 H ATOM 676 1HD ARG A 40 10.011 -3.340 -8.130 1.00 0.00 H ATOM 677 2HD ARG A 40 10.535 -4.901 -7.456 1.00 0.00 H ATOM 678 HE ARG A 40 11.317 -4.875 -10.137 1.00 0.00 H ATOM 679 1HH1 ARG A 40 11.981 -3.049 -7.210 1.00 0.00 H ATOM 680 2HH1 ARG A 40 13.611 -2.632 -7.691 1.00 0.00 H ATOM 681 1HH2 ARG A 40 13.434 -4.327 -10.749 1.00 0.00 H ATOM 682 2HH2 ARG A 40 14.434 -3.355 -9.693 1.00 0.00 H ATOM 683 N ILE A 41 4.817 -5.052 -7.108 1.00 0.00 N ATOM 684 CA ILE A 41 3.816 -5.268 -6.070 1.00 0.00 C ATOM 685 C ILE A 41 2.735 -6.233 -6.539 1.00 0.00 C ATOM 686 O ILE A 41 2.335 -7.136 -5.805 1.00 0.00 O ATOM 687 CB ILE A 41 3.168 -3.937 -5.645 1.00 0.00 C ATOM 688 CG1 ILE A 41 4.190 -3.051 -4.927 1.00 0.00 C ATOM 689 CG2 ILE A 41 1.962 -4.192 -4.756 1.00 0.00 C ATOM 690 CD1 ILE A 41 3.766 -1.605 -4.806 1.00 0.00 C ATOM 691 H ILE A 41 4.871 -4.149 -7.558 1.00 0.00 H ATOM 692 HA ILE A 41 4.310 -5.694 -5.196 1.00 0.00 H ATOM 693 HB ILE A 41 2.845 -3.391 -6.531 1.00 0.00 H ATOM 694 1HG1 ILE A 41 4.368 -3.440 -3.925 1.00 0.00 H ATOM 695 2HG1 ILE A 41 5.139 -3.083 -5.463 1.00 0.00 H ATOM 696 1HG2 ILE A 41 1.516 -3.241 -4.464 1.00 0.00 H ATOM 697 2HG2 ILE A 41 1.228 -4.785 -5.300 1.00 0.00 H ATOM 698 3HG2 ILE A 41 2.276 -4.734 -3.863 1.00 0.00 H ATOM 699 1HD1 ILE A 41 4.541 -1.041 -4.287 1.00 0.00 H ATOM 700 2HD1 ILE A 41 3.616 -1.185 -5.801 1.00 0.00 H ATOM 701 3HD1 ILE A 41 2.835 -1.545 -4.243 1.00 0.00 H ATOM 702 N GLU A 42 2.265 -6.035 -7.766 1.00 0.00 N ATOM 703 CA GLU A 42 1.188 -6.851 -8.315 1.00 0.00 C ATOM 704 C GLU A 42 1.588 -8.320 -8.377 1.00 0.00 C ATOM 705 O GLU A 42 0.795 -9.203 -8.052 1.00 0.00 O ATOM 706 CB GLU A 42 0.802 -6.357 -9.711 1.00 0.00 C ATOM 707 CG GLU A 42 0.036 -5.042 -9.723 1.00 0.00 C ATOM 708 CD GLU A 42 -0.310 -4.579 -11.111 1.00 0.00 C ATOM 709 OE1 GLU A 42 0.240 -5.107 -12.047 1.00 0.00 O ATOM 710 OE2 GLU A 42 -1.127 -3.697 -11.235 1.00 0.00 O ATOM 711 H GLU A 42 2.663 -5.300 -8.333 1.00 0.00 H ATOM 712 HA GLU A 42 0.315 -6.754 -7.668 1.00 0.00 H ATOM 713 1HB GLU A 42 1.702 -6.226 -10.312 1.00 0.00 H ATOM 714 2HB GLU A 42 0.185 -7.108 -10.205 1.00 0.00 H ATOM 715 1HG GLU A 42 -0.884 -5.164 -9.153 1.00 0.00 H ATOM 716 2HG GLU A 42 0.638 -4.279 -9.230 1.00 0.00 H ATOM 717 N GLU A 43 2.822 -8.574 -8.799 1.00 0.00 N ATOM 718 CA GLU A 43 3.336 -9.936 -8.888 1.00 0.00 C ATOM 719 C GLU A 43 4.772 -9.950 -9.395 1.00 0.00 C ATOM 720 O GLU A 43 5.179 -9.076 -10.161 1.00 0.00 O ATOM 721 OXT GLU A 43 5.522 -10.821 -9.049 1.00 0.00 O ATOM 722 CB GLU A 43 2.452 -10.780 -9.809 1.00 0.00 C ATOM 723 CG GLU A 43 2.368 -10.271 -11.240 1.00 0.00 C ATOM 724 CD GLU A 43 1.445 -11.090 -12.099 1.00 0.00 C ATOM 725 OE1 GLU A 43 0.773 -11.943 -11.571 1.00 0.00 O ATOM 726 OE2 GLU A 43 1.413 -10.863 -13.286 1.00 0.00 O ATOM 727 H GLU A 43 3.421 -7.804 -9.063 1.00 0.00 H ATOM 728 HA GLU A 43 3.312 -10.380 -7.893 1.00 0.00 H ATOM 729 1HB GLU A 43 2.830 -11.802 -9.839 1.00 0.00 H ATOM 730 2HB GLU A 43 1.439 -10.817 -9.407 1.00 0.00 H ATOM 731 1HG GLU A 43 2.014 -9.240 -11.228 1.00 0.00 H ATOM 732 2HG GLU A 43 3.365 -10.278 -11.677 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE start18_0261_0002.pdb label fa_atr fa_rep fa_sol fa_intra_atr_xover4 fa_intra_rep_xover4 fa_intra_sol_xover4 lk_ball lk_ball_iso lk_ball_bridge lk_ball_bridge_uncpl fa_elec fa_intra_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun_dev fa_dun_rot fa_dun_semi p_aa_pp hxl_tors ref rama_prepro gen_bonded total weights 1 0.55 1 1 0.55 1 0.92 -0.38 -0.33 -0.33 1 1 1.25 1 1 1 1 1.25 0.48 0.69 0.76 0.78 0.61 1 1 0.5 1 NA pose -223.974 28.1581 146.026 -17.1974 9.11134 11.7655 79.3213 -89.2526 -0.4914 -3.39042 -54.6375 -17.4074 0 -25.1151 -7.64605 0 -1.78201 0 3.09552 3.06351 28.4985 35.4936 -12.1524 21.2894 -27.842 1.92935 0 -113.136 THR:NtermProteinFull_1 -4.03843 0.46208 3.18361 -0.18649 0.12721 0.07292 1.86822 -1.68793 -0.00046 -0.00456 -1.43822 -1.08718 0 0 0 0 0 0 0.15332 0.00142 0.08021 0 0 2.28772 -1.0874 0 0 -1.29396 GLU_2 -3.26605 0.11026 3.57343 -0.46339 0.25154 1.45061 1.37493 -1.72097 -0.02595 -0.14086 -1.87705 -2.9692 0 0 0 0 0 0 -0.06972 0.01211 0 3.96023 -0.34723 0 -2.7348 -0.2184 0 -3.10052 LEU_3 -8.37865 1.69566 1.61699 -0.72039 0.41584 0.29943 1.56122 -2.14321 -0.02594 -0.14071 -0.35505 0.14876 0 0 0 0 0 0 0.0125 0.38434 0.86612 0 -0.21104 0 0.18072 0.0259 0 -4.7675 LEU_4 -8.02448 0.97424 3.06391 -0.71863 0.61151 0.29266 2.47562 -2.58362 -0 -0 -0.88434 0.15462 0 0 0 0 0 0 -0.01289 0.01931 0.97892 0 -0.24652 0 0.18072 0.25425 0 -3.46473 GLU_5 -4.57742 0.20148 5.76154 -0.21467 0.02735 0.29743 2.28997 -2.61386 -1e-05 -0.00015 -1.23491 -0.59848 0 0 0 0 0 0 0.20252 0.01247 0 3.04721 -0.23375 0 -2.7348 -0.17305 0 -0.54111 LEU_6 -6.97093 1.14574 4.48351 -0.7108 0.61763 0.27563 2.39121 -2.8349 -0.01691 -0.14792 -1.96749 0.14137 0 0 0 0 0 0 0.33964 0.07251 1.06886 0 -0.28021 0 0.18072 -0.22471 0 -2.43704 ALA_7 -7.06989 1.06923 2.82565 -0.02246 0 0 2.96508 -2.82754 -0 -0 -1.34313 -0.36867 0 0 0 0 0 0 0.04202 0 0 0 -0.32464 0 1.8394 -0.23036 0 -3.44532 LYS_8 -5.32329 0.48081 5.17005 -0.41871 0.05264 0.23426 2.82827 -2.59476 -0 -0 -2.59019 -0.14362 0 0 0 0 0 0 0.08232 0.06105 2.19783 0 0.00853 0 -1.5107 -0.27302 0 -1.73853 GLU_9 -5.84289 0.30778 6.02487 -0.2167 0.02563 0.29473 2.88902 -2.91538 -0.0165 -0.14469 -2.00827 -0.59505 0 0 0 0 0 0 0.05287 0.07308 0 3.02123 -0.31267 0 -2.7348 -0.31526 0 -2.413 ALA_10 -6.53109 1.18513 3.42461 -0.02214 0 0 3.00192 -2.98797 -0 -0 -2.09711 -0.36752 0 0 0 0 0 0 0.02568 0 0 0 -0.35742 0 1.8394 -0.33018 0 -3.2167 LEU_11 -6.76388 1.05226 3.22574 -0.5278 0.48037 0.11126 1.92774 -2.44941 -0 -0 -0.92899 0.08961 0 0 0 0 0 0 0.05328 0.04307 3.30047 0 -0.1771 0 0.18072 0.17321 0 -0.20947 ARG_12 -4.52766 0.12992 4.85314 -0.78739 0.16729 0.53956 2.14017 -2.19267 -5e-05 -0.00132 -1.75756 0.32636 0 0 0 0 -0.89101 0 0.11848 0.11731 2.77107 0 -0.12424 0 -1.2888 0.27022 0 -0.13718 HIS_D_13 -5.08487 0.36627 4.79376 -0.40368 0.01748 0.52341 1.99267 -2.31468 -0 -0 -2.02285 -0.35491 0 0 0 0 -0.89101 0 -0.05403 0.01446 0 1.63855 -0.32613 0 -0.45461 -0.3189 0 -2.87907 ASN_14 -2.10809 0.1691 2.87548 -0.37784 0.08554 0.76678 1.16769 -1.38242 -0 -0 -0.66246 -0.89248 0 0 0 0 0 0 0.44263 0.00246 0 1.63169 -1.04332 0 -0.93687 -0.29601 0 -0.55812 THR_15 -4.24983 0.38778 3.03516 -0.20286 0.15139 0.07026 1.63713 -1.96783 -0.00537 -0.01962 -1.1762 -0.93267 0 0 0 0 0 0 -0.01674 0.03003 0.9185 0 -0.74276 2.3001 -1.0874 0.24371 0 -1.62722 THR_16 -3.11211 0.49063 0.83458 -0.17646 0.13374 0.0629 0.4901 -0.9547 -0 -0 -0.80708 -0.24796 0 0 0 0 0 0 -0.04528 0.02364 0.16002 0 -0.16611 2.29607 -1.0874 0.20561 0 -1.89979 VAL_17 -6.71158 2.03309 1.18431 -0.33667 0.50087 0.07381 2.08285 -2.00694 -0.01431 -0.05124 -1.29318 -0.60426 0 0 0 0 0 0 -0.07045 0.31365 0.9399 0 -0.56647 0 1.9342 -0.16362 0 -2.75602 THR_18 -3.68036 0.47469 0.77569 -0.17914 0.13015 0.06688 0.33165 -1.05564 -0 -0 -0.25177 -0.28296 0 0 0 0 0 0 0.53411 0.01413 0.12242 0 -0.04771 2.29422 -1.0874 -0.12066 0 -1.9617 TRP_19 -10.2725 1.73399 3.8293 -1.25624 0.11495 0.31908 2.35284 -2.94474 -0.00894 -0.03161 -2.12632 -0.86698 0 0 0 0 0 0 0.01581 0.02557 0 2.95815 0.0317 0 1.6906 -0.08846 0 -4.52376 ARG_20 -4.40681 0.31389 2.60772 -0.61265 0.17153 0.36001 0.65728 -1.52544 -0.0202 -0.13394 -0.78112 -0.01174 0 0 0 0 0 0 0.49881 0.04396 2.81873 0 -0.1902 0 -1.2888 -0.26158 0 -1.76056 HIS_D_21 -4.44979 0.90176 4.0671 -0.57348 0.01127 0.42054 1.9249 -2.00093 -0.03251 -0.25054 -2.35966 -0.60938 0 0 0 0 0 0 0.08699 0.00222 0 1.84295 -0.54178 0 -0.45461 0.3934 0 -1.62157 LEU_22 -2.73207 0.63638 1.98522 -0.45803 0.42973 0.07552 0.44393 -1.04913 -0 -0 0.353 0.1503 0 0 0 0 0 0 0.01505 0.0829 0.04907 0 0.93128 0 0.18072 2.11693 0 3.2108 THR_23 -1.4984 0.22941 1.7391 -0.1263 0.06162 0.07957 0.41349 -0.84498 -0.04257 -0.34945 0.07053 -0.9873 0 0 0 0 0 0 -0.03081 0.03137 0.07182 0 -0.53062 2.31728 -1.0874 1.44413 0 0.96049 THR_24 -3.54719 0.30105 3.35178 -0.17537 0.12469 0.0623 2.24517 -1.77747 -0.04065 -0.35177 -1.57951 -0.16681 0 0 0 0 0 0 0.16191 0.00037 0.1527 0 -0.13787 2.28509 -1.0874 -0.14708 0 -0.32606 THR_25 -3.92152 0.36382 1.63302 -0.17077 0.10995 0.06053 0.73175 -1.27444 -0.01075 -0.03522 -0.468 -0.25498 0 0 0 0 0 0 -0.04404 0.01306 0.1955 0 -0.18554 2.29018 -1.0874 -0.01209 0 -2.06695 ILE_26 -6.48508 0.78009 1.45026 -0.48074 0.66678 0.10091 1.9468 -1.7871 -0.00824 -0.02809 -2.04118 0.01373 0 0 0 0 0 0 -0.05373 0.00487 0.30608 0 -0.66311 0 0.73287 -0.12499 0 -5.66989 ILE_27 -4.7243 0.59044 0.52835 -0.65073 0.96004 0.12685 0.85146 -1.33348 -0.00969 -0.03179 -0.42106 0.39924 0 0 0 0 0 0 -0.05299 0.19672 0.96497 0 -0.77442 0 0.73287 -0.43876 0 -3.08627 ILE_28 -9.07216 1.35935 0.57272 -0.57073 0.33491 0.16729 2.47175 -2.27773 -0.00824 -0.02809 -0.70845 -0.02165 0 0 0 0 0 0 -0.03859 0.48264 3.19816 0 -0.70927 0 0.73287 -0.52753 0 -4.64276 THR_29 -2.77817 0.4432 1.36287 -0.11724 0.0636 0.06827 0.45804 -1.00031 -0.03468 -0.25203 0.08877 -0.8134 0 0 0 0 0 0 0.3851 0.03122 0.0646 0 -0.71082 2.31097 -1.0874 -0.0348 0 -1.5522 SER_30 -3.6278 0.14892 3.89866 -0.02595 0 0.062 2.05302 -1.91814 -0.02499 -0.22024 -1.30469 -0.36652 0 0 0 0 0 0 0.05546 0.00012 0.05917 0 -0.54374 0.62089 -0.77834 0.03159 0 -1.88058 GLU_31 -4.53515 0.63861 4.29526 -0.46744 0.29458 1.47377 1.76292 -2.03243 -0.0397 -0.21876 -1.72673 -2.95798 0 0 0 0 0 0 -0.04031 0.03946 0 4.01041 -0.29263 0 -2.7348 -0.37718 0 -2.90812 GLU_32 -3.234 0.15508 4.0001 -0.33547 0.06926 0.3995 1.59586 -1.82521 -0.03016 -0.19245 -1.70591 -0.62203 0 0 0 0 0 0 -0.03854 0.00195 0 3.05328 -0.14929 0 -2.7348 -0.10393 0 -1.69675 VAL_33 -6.33667 0.75537 4.28253 -0.30791 0.25188 0.0701 2.6563 -2.58673 -0 -0 -1.15014 -0.13288 0 0 0 0 0 0 0.04991 0.03111 0.23294 0 -0.35362 0 1.9342 0.16274 0 -0.44089 PHE_34 -9.51935 1.10631 3.93174 -0.95075 0.06664 0.33193 2.70985 -2.96258 -0 -0 -1.52855 -0.02548 0 0 0 0 0 0 -0.01561 0.29633 0 1.79382 -0.4602 0 1.0402 0.3345 0 -3.8512 GLU_35 -5.36977 0.26307 6.16888 -0.21491 0.02694 0.29546 2.39031 -2.77293 -0.00326 -0.0516 -2.51386 -0.5879 0 0 0 0 0 0 0.17603 0.02054 0 3.00616 -0.25245 0 -2.7348 0.09507 0 -2.05902 THR_36 -5.40821 0.32573 5.89128 -0.20712 0.17088 0.07576 2.67239 -2.74722 -0.0128 -0.07792 -2.9389 -0.13596 0 0 0 0 0 0 0.09974 0.00027 0.08676 0 0.02175 2.28685 -1.0874 0.07647 0 -0.90765 ILE_37 -9.26979 1.40205 3.11721 -0.50942 0.56839 0.09862 2.73822 -2.81784 -0 -0 -1.74277 0.17932 0 0 0 0 0 0 0.02977 0.12118 0.4636 0 -0.40297 0 0.73287 0.69574 0 -4.59582 LYS_38 -6.41032 0.43294 5.60456 -0.41323 0.0527 0.21816 2.53368 -2.72708 -0 -0 -1.92052 -0.10224 0 0 0 0 0 0 0.01813 0.06527 1.96331 0 0.05312 0 -1.5107 0.5252 0 -1.61702 LYS_39 -4.70357 0.25357 5.91318 -0.30469 0.02778 0.13514 2.58778 -2.58634 -0.0178 -0.16079 -1.38791 -0.01173 0 0 0 0 0 0 -0.04069 0.02572 1.76434 0 0.01181 0 -1.5107 0.03137 0 0.02645 ARG_40 -4.41865 0.25335 4.69142 -0.44447 0.0513 0.2237 1.56735 -2.22658 -0 -0 -0.79759 0.34996 0 0 0 0 0 0 0.0929 0.08369 2.03158 0 -0.17539 0 -1.2888 -0.2153 0 -0.22153 ILE_41 -5.45366 0.99533 3.04257 -0.51273 0.55734 0.10204 1.74049 -1.9588 -0 -0 -0.34728 0.04305 0 0 0 0 0 0 -0.04058 0.17332 0.67088 0 -0.45311 0 0.73287 -0.03677 0 -0.74503 GLU_42 -3.49257 0.54093 4.12116 -0.21284 0.02524 0.2883 1.2935 -1.6944 -0.02926 -0.24292 -1.08775 -0.56381 0 0 0 0 0 0 0.01554 0.0664 0 3.04335 -0.17623 0 -2.7348 -0.00669 0 -0.84684 GLU:CtermProteinFull_43 -2.04485 0.4973 3.23434 -0.41192 0.10316 0.71762 1.10671 -1.34616 -0.01146 -0.08213 0.18393 -0.71994 0 0 0 0 0 0 0 0.0282 0 2.48662 0 0 -2.7348 -0.11132 0 0.89529 #END_POSE_ENERGIES_TABLE start18_0261_0002.pdb score_per_res -2.13269 total_score -91.7055
HEEH_KT_rd6_5629.pdb
ATOM 1 N THR A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA THR A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C THR A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O THR A 1 1.765 2.191 -0.928 1.00 0.00 O ATOM 5 CB THR A 1 2.012 -0.770 -1.213 1.00 0.00 C ATOM 6 OG1 THR A 1 1.561 -2.130 -1.166 1.00 0.00 O ATOM 7 CG2 THR A 1 3.533 -0.744 -1.212 1.00 0.00 C ATOM 8 1H THR A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 9 2H THR A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 10 3H THR A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 11 HA THR A 1 1.804 -0.509 0.900 1.00 0.00 H ATOM 12 HB THR A 1 1.648 -0.312 -2.132 1.00 0.00 H ATOM 13 HG1 THR A 1 1.648 -2.525 -2.037 1.00 0.00 H ATOM 14 1HG2 THR A 1 3.907 -1.292 -2.076 1.00 0.00 H ATOM 15 2HG2 THR A 1 3.879 0.289 -1.259 1.00 0.00 H ATOM 16 3HG2 THR A 1 3.904 -1.209 -0.299 1.00 0.00 H ATOM 17 N GLU A 2 2.752 1.761 1.047 1.00 0.00 N ATOM 18 CA GLU A 2 3.297 3.105 1.195 1.00 0.00 C ATOM 19 C GLU A 2 4.361 3.387 0.142 1.00 0.00 C ATOM 20 O GLU A 2 4.455 4.500 -0.376 1.00 0.00 O ATOM 21 CB GLU A 2 3.888 3.291 2.594 1.00 0.00 C ATOM 22 CG GLU A 2 2.866 3.236 3.721 1.00 0.00 C ATOM 23 CD GLU A 2 2.440 1.834 4.056 1.00 0.00 C ATOM 24 OE1 GLU A 2 2.968 0.918 3.475 1.00 0.00 O ATOM 25 OE2 GLU A 2 1.584 1.680 4.896 1.00 0.00 O ATOM 26 H GLU A 2 2.946 1.071 1.759 1.00 0.00 H ATOM 27 HA GLU A 2 2.485 3.823 1.073 1.00 0.00 H ATOM 28 1HB GLU A 2 4.632 2.517 2.780 1.00 0.00 H ATOM 29 2HB GLU A 2 4.396 4.254 2.650 1.00 0.00 H ATOM 30 1HG GLU A 2 3.296 3.696 4.610 1.00 0.00 H ATOM 31 2HG GLU A 2 1.991 3.817 3.432 1.00 0.00 H ATOM 32 N GLU A 3 5.162 2.374 -0.169 1.00 0.00 N ATOM 33 CA GLU A 3 6.259 2.527 -1.118 1.00 0.00 C ATOM 34 C GLU A 3 5.749 2.983 -2.479 1.00 0.00 C ATOM 35 O GLU A 3 6.269 3.936 -3.060 1.00 0.00 O ATOM 36 CB GLU A 3 7.026 1.211 -1.265 1.00 0.00 C ATOM 37 CG GLU A 3 8.195 1.270 -2.238 1.00 0.00 C ATOM 38 CD GLU A 3 8.952 -0.026 -2.323 1.00 0.00 C ATOM 39 OE1 GLU A 3 8.594 -0.947 -1.629 1.00 0.00 O ATOM 40 OE2 GLU A 3 9.889 -0.095 -3.083 1.00 0.00 O ATOM 41 H GLU A 3 5.007 1.474 0.263 1.00 0.00 H ATOM 42 HA GLU A 3 6.947 3.280 -0.732 1.00 0.00 H ATOM 43 1HB GLU A 3 7.415 0.907 -0.293 1.00 0.00 H ATOM 44 2HB GLU A 3 6.347 0.430 -1.605 1.00 0.00 H ATOM 45 1HG GLU A 3 7.818 1.523 -3.228 1.00 0.00 H ATOM 46 2HG GLU A 3 8.875 2.062 -1.925 1.00 0.00 H ATOM 47 N GLU A 4 4.729 2.297 -2.984 1.00 0.00 N ATOM 48 CA GLU A 4 4.158 2.619 -4.286 1.00 0.00 C ATOM 49 C GLU A 4 3.479 3.982 -4.266 1.00 0.00 C ATOM 50 O GLU A 4 3.580 4.750 -5.224 1.00 0.00 O ATOM 51 CB GLU A 4 3.154 1.543 -4.709 1.00 0.00 C ATOM 52 CG GLU A 4 3.782 0.203 -5.065 1.00 0.00 C ATOM 53 CD GLU A 4 2.764 -0.835 -5.448 1.00 0.00 C ATOM 54 OE1 GLU A 4 1.595 -0.584 -5.283 1.00 0.00 O ATOM 55 OE2 GLU A 4 3.157 -1.882 -5.906 1.00 0.00 O ATOM 56 H GLU A 4 4.339 1.532 -2.451 1.00 0.00 H ATOM 57 HA GLU A 4 4.963 2.640 -5.022 1.00 0.00 H ATOM 58 1HB GLU A 4 2.440 1.375 -3.902 1.00 0.00 H ATOM 59 2HB GLU A 4 2.593 1.891 -5.576 1.00 0.00 H ATOM 60 1HG GLU A 4 4.469 0.346 -5.898 1.00 0.00 H ATOM 61 2HG GLU A 4 4.357 -0.155 -4.212 1.00 0.00 H ATOM 62 N PHE A 5 2.786 4.278 -3.172 1.00 0.00 N ATOM 63 CA PHE A 5 2.042 5.526 -3.049 1.00 0.00 C ATOM 64 C PHE A 5 2.930 6.728 -3.341 1.00 0.00 C ATOM 65 O PHE A 5 2.594 7.574 -4.168 1.00 0.00 O ATOM 66 CB PHE A 5 1.445 5.656 -1.647 1.00 0.00 C ATOM 67 CG PHE A 5 0.555 6.854 -1.476 1.00 0.00 C ATOM 68 CD1 PHE A 5 -0.823 6.710 -1.414 1.00 0.00 C ATOM 69 CD2 PHE A 5 1.094 8.128 -1.376 1.00 0.00 C ATOM 70 CE1 PHE A 5 -1.643 7.812 -1.257 1.00 0.00 C ATOM 71 CE2 PHE A 5 0.277 9.231 -1.218 1.00 0.00 C ATOM 72 CZ PHE A 5 -1.093 9.072 -1.159 1.00 0.00 C ATOM 73 H PHE A 5 2.775 3.621 -2.404 1.00 0.00 H ATOM 74 HA PHE A 5 1.223 5.512 -3.769 1.00 0.00 H ATOM 75 1HB PHE A 5 0.863 4.765 -1.415 1.00 0.00 H ATOM 76 2HB PHE A 5 2.248 5.722 -0.914 1.00 0.00 H ATOM 77 HD1 PHE A 5 -1.258 5.713 -1.491 1.00 0.00 H ATOM 78 HD2 PHE A 5 2.176 8.254 -1.424 1.00 0.00 H ATOM 79 HE1 PHE A 5 -2.724 7.684 -1.211 1.00 0.00 H ATOM 80 HE2 PHE A 5 0.713 10.227 -1.141 1.00 0.00 H ATOM 81 HZ PHE A 5 -1.738 9.941 -1.036 1.00 0.00 H ATOM 82 N GLU A 6 4.068 6.797 -2.658 1.00 0.00 N ATOM 83 CA GLU A 6 4.944 7.959 -2.743 1.00 0.00 C ATOM 84 C GLU A 6 5.628 8.035 -4.102 1.00 0.00 C ATOM 85 O GLU A 6 5.754 9.112 -4.685 1.00 0.00 O ATOM 86 CB GLU A 6 5.998 7.916 -1.634 1.00 0.00 C ATOM 87 CG GLU A 6 5.450 8.165 -0.236 1.00 0.00 C ATOM 88 CD GLU A 6 4.910 9.556 -0.058 1.00 0.00 C ATOM 89 OE1 GLU A 6 5.530 10.479 -0.530 1.00 0.00 O ATOM 90 OE2 GLU A 6 3.875 9.698 0.550 1.00 0.00 O ATOM 91 H GLU A 6 4.333 6.024 -2.063 1.00 0.00 H ATOM 92 HA GLU A 6 4.341 8.858 -2.604 1.00 0.00 H ATOM 93 1HB GLU A 6 6.485 6.940 -1.633 1.00 0.00 H ATOM 94 2HB GLU A 6 6.765 8.665 -1.830 1.00 0.00 H ATOM 95 1HG GLU A 6 4.651 7.450 -0.037 1.00 0.00 H ATOM 96 2HG GLU A 6 6.243 7.993 0.490 1.00 0.00 H ATOM 97 N ARG A 7 6.068 6.886 -4.603 1.00 0.00 N ATOM 98 CA ARG A 7 6.817 6.831 -5.852 1.00 0.00 C ATOM 99 C ARG A 7 5.942 7.222 -7.036 1.00 0.00 C ATOM 100 O ARG A 7 6.395 7.904 -7.956 1.00 0.00 O ATOM 101 CB ARG A 7 7.379 5.435 -6.079 1.00 0.00 C ATOM 102 CG ARG A 7 8.407 4.985 -5.053 1.00 0.00 C ATOM 103 CD ARG A 7 9.685 5.730 -5.193 1.00 0.00 C ATOM 104 NE ARG A 7 9.683 6.960 -4.418 1.00 0.00 N ATOM 105 CZ ARG A 7 9.775 7.019 -3.075 1.00 0.00 C ATOM 106 NH1 ARG A 7 9.875 5.911 -2.374 1.00 0.00 N ATOM 107 NH2 ARG A 7 9.765 8.190 -2.463 1.00 0.00 N ATOM 108 H ARG A 7 5.879 6.028 -4.104 1.00 0.00 H ATOM 109 HA ARG A 7 7.650 7.532 -5.786 1.00 0.00 H ATOM 110 1HB ARG A 7 6.566 4.711 -6.071 1.00 0.00 H ATOM 111 2HB ARG A 7 7.850 5.388 -7.061 1.00 0.00 H ATOM 112 1HG ARG A 7 8.019 5.157 -4.049 1.00 0.00 H ATOM 113 2HG ARG A 7 8.613 3.922 -5.186 1.00 0.00 H ATOM 114 1HD ARG A 7 10.508 5.108 -4.843 1.00 0.00 H ATOM 115 2HD ARG A 7 9.844 5.986 -6.240 1.00 0.00 H ATOM 116 HE ARG A 7 9.608 7.833 -4.923 1.00 0.00 H ATOM 117 1HH1 ARG A 7 9.882 5.016 -2.843 1.00 0.00 H ATOM 118 2HH1 ARG A 7 9.943 5.955 -1.368 1.00 0.00 H ATOM 119 1HH2 ARG A 7 9.688 9.042 -3.002 1.00 0.00 H ATOM 120 2HH2 ARG A 7 9.833 8.234 -1.457 1.00 0.00 H ATOM 121 N ILE A 8 4.688 6.786 -7.009 1.00 0.00 N ATOM 122 CA ILE A 8 3.739 7.114 -8.065 1.00 0.00 C ATOM 123 C ILE A 8 3.391 8.597 -8.051 1.00 0.00 C ATOM 124 O ILE A 8 3.319 9.238 -9.100 1.00 0.00 O ATOM 125 CB ILE A 8 2.451 6.283 -7.924 1.00 0.00 C ATOM 126 CG1 ILE A 8 2.735 4.805 -8.205 1.00 0.00 C ATOM 127 CG2 ILE A 8 1.373 6.808 -8.860 1.00 0.00 C ATOM 128 CD1 ILE A 8 1.613 3.879 -7.795 1.00 0.00 C ATOM 129 H ILE A 8 4.385 6.210 -6.236 1.00 0.00 H ATOM 130 HA ILE A 8 4.192 6.870 -9.027 1.00 0.00 H ATOM 131 HB ILE A 8 2.089 6.345 -6.898 1.00 0.00 H ATOM 132 1HG1 ILE A 8 2.921 4.667 -9.269 1.00 0.00 H ATOM 133 2HG1 ILE A 8 3.638 4.501 -7.674 1.00 0.00 H ATOM 134 1HG2 ILE A 8 0.470 6.209 -8.748 1.00 0.00 H ATOM 135 2HG2 ILE A 8 1.153 7.846 -8.615 1.00 0.00 H ATOM 136 3HG2 ILE A 8 1.725 6.746 -9.891 1.00 0.00 H ATOM 137 1HD1 ILE A 8 1.889 2.849 -8.025 1.00 0.00 H ATOM 138 2HD1 ILE A 8 1.434 3.976 -6.724 1.00 0.00 H ATOM 139 3HD1 ILE A 8 0.708 4.141 -8.340 1.00 0.00 H ATOM 140 N ARG A 9 3.179 9.139 -6.857 1.00 0.00 N ATOM 141 CA ARG A 9 2.871 10.556 -6.701 1.00 0.00 C ATOM 142 C ARG A 9 3.987 11.428 -7.264 1.00 0.00 C ATOM 143 O ARG A 9 3.728 12.444 -7.908 1.00 0.00 O ATOM 144 CB ARG A 9 2.654 10.898 -5.235 1.00 0.00 C ATOM 145 CG ARG A 9 2.133 12.303 -4.976 1.00 0.00 C ATOM 146 CD ARG A 9 1.805 12.512 -3.543 1.00 0.00 C ATOM 147 NE ARG A 9 2.989 12.450 -2.701 1.00 0.00 N ATOM 148 CZ ARG A 9 3.867 13.459 -2.539 1.00 0.00 C ATOM 149 NH1 ARG A 9 3.681 14.599 -3.167 1.00 0.00 N ATOM 150 NH2 ARG A 9 4.915 13.303 -1.750 1.00 0.00 N ATOM 151 H ARG A 9 3.233 8.554 -6.034 1.00 0.00 H ATOM 152 HA ARG A 9 1.950 10.772 -7.245 1.00 0.00 H ATOM 153 1HB ARG A 9 1.944 10.198 -4.799 1.00 0.00 H ATOM 154 2HB ARG A 9 3.594 10.791 -4.693 1.00 0.00 H ATOM 155 1HG ARG A 9 2.891 13.032 -5.264 1.00 0.00 H ATOM 156 2HG ARG A 9 1.228 12.469 -5.563 1.00 0.00 H ATOM 157 1HD ARG A 9 1.346 13.492 -3.414 1.00 0.00 H ATOM 158 2HD ARG A 9 1.111 11.741 -3.212 1.00 0.00 H ATOM 159 HE ARG A 9 3.166 11.588 -2.202 1.00 0.00 H ATOM 160 1HH1 ARG A 9 2.879 14.718 -3.770 1.00 0.00 H ATOM 161 2HH1 ARG A 9 4.338 15.355 -3.046 1.00 0.00 H ATOM 162 1HH2 ARG A 9 5.058 12.426 -1.267 1.00 0.00 H ATOM 163 2HH2 ARG A 9 5.573 14.059 -1.629 1.00 0.00 H ATOM 164 N GLU A 10 5.227 11.023 -7.017 1.00 0.00 N ATOM 165 CA GLU A 10 6.385 11.741 -7.538 1.00 0.00 C ATOM 166 C GLU A 10 6.412 11.711 -9.061 1.00 0.00 C ATOM 167 O GLU A 10 6.758 12.702 -9.704 1.00 0.00 O ATOM 168 CB GLU A 10 7.678 11.140 -6.984 1.00 0.00 C ATOM 169 CG GLU A 10 7.927 11.435 -5.511 1.00 0.00 C ATOM 170 CD GLU A 10 9.148 10.740 -4.974 1.00 0.00 C ATOM 171 OE1 GLU A 10 9.694 9.918 -5.669 1.00 0.00 O ATOM 172 OE2 GLU A 10 9.534 11.032 -3.867 1.00 0.00 O ATOM 173 H GLU A 10 5.373 10.197 -6.455 1.00 0.00 H ATOM 174 HA GLU A 10 6.325 12.779 -7.209 1.00 0.00 H ATOM 175 1HB GLU A 10 7.660 10.058 -7.110 1.00 0.00 H ATOM 176 2HB GLU A 10 8.528 11.522 -7.549 1.00 0.00 H ATOM 177 1HG GLU A 10 8.049 12.510 -5.382 1.00 0.00 H ATOM 178 2HG GLU A 10 7.056 11.124 -4.937 1.00 0.00 H ATOM 179 N GLU A 11 6.044 10.570 -9.633 1.00 0.00 N ATOM 180 CA GLU A 11 6.044 10.404 -11.081 1.00 0.00 C ATOM 181 C GLU A 11 4.994 11.289 -11.738 1.00 0.00 C ATOM 182 O GLU A 11 5.223 11.852 -12.808 1.00 0.00 O ATOM 183 CB GLU A 11 5.792 8.940 -11.450 1.00 0.00 C ATOM 184 CG GLU A 11 5.855 8.648 -12.942 1.00 0.00 C ATOM 185 CD GLU A 11 7.232 8.832 -13.517 1.00 0.00 C ATOM 186 OE1 GLU A 11 8.174 8.839 -12.762 1.00 0.00 O ATOM 187 OE2 GLU A 11 7.341 8.965 -14.713 1.00 0.00 O ATOM 188 H GLU A 11 5.756 9.798 -9.048 1.00 0.00 H ATOM 189 HA GLU A 11 7.027 10.685 -11.461 1.00 0.00 H ATOM 190 1HB GLU A 11 6.529 8.308 -10.954 1.00 0.00 H ATOM 191 2HB GLU A 11 4.808 8.638 -11.091 1.00 0.00 H ATOM 192 1HG GLU A 11 5.536 7.620 -13.114 1.00 0.00 H ATOM 193 2HG GLU A 11 5.159 9.306 -13.460 1.00 0.00 H ATOM 194 N LEU A 12 3.840 11.410 -11.089 1.00 0.00 N ATOM 195 CA LEU A 12 2.768 12.264 -11.587 1.00 0.00 C ATOM 196 C LEU A 12 3.188 13.728 -11.595 1.00 0.00 C ATOM 197 O LEU A 12 2.941 14.450 -12.561 1.00 0.00 O ATOM 198 CB LEU A 12 1.510 12.092 -10.726 1.00 0.00 C ATOM 199 CG LEU A 12 0.276 12.877 -11.187 1.00 0.00 C ATOM 200 CD1 LEU A 12 0.280 14.256 -10.541 1.00 0.00 C ATOM 201 CD2 LEU A 12 0.279 12.983 -12.704 1.00 0.00 C ATOM 202 H LEU A 12 3.703 10.898 -10.230 1.00 0.00 H ATOM 203 HA LEU A 12 2.531 11.963 -12.608 1.00 0.00 H ATOM 204 1HB LEU A 12 1.244 11.036 -10.708 1.00 0.00 H ATOM 205 2HB LEU A 12 1.741 12.404 -9.707 1.00 0.00 H ATOM 206 HG LEU A 12 -0.627 12.359 -10.861 1.00 0.00 H ATOM 207 1HD1 LEU A 12 -0.597 14.813 -10.868 1.00 0.00 H ATOM 208 2HD1 LEU A 12 0.258 14.150 -9.456 1.00 0.00 H ATOM 209 3HD1 LEU A 12 1.181 14.792 -10.835 1.00 0.00 H ATOM 210 1HD2 LEU A 12 -0.599 13.541 -13.032 1.00 0.00 H ATOM 211 2HD2 LEU A 12 1.181 13.502 -13.030 1.00 0.00 H ATOM 212 3HD2 LEU A 12 0.258 11.984 -13.139 1.00 0.00 H ATOM 213 N ARG A 13 3.825 14.162 -10.512 1.00 0.00 N ATOM 214 CA ARG A 13 4.307 15.533 -10.404 1.00 0.00 C ATOM 215 C ARG A 13 5.171 15.909 -11.601 1.00 0.00 C ATOM 216 O ARG A 13 5.011 16.982 -12.182 1.00 0.00 O ATOM 217 CB ARG A 13 5.110 15.719 -9.125 1.00 0.00 C ATOM 218 CG ARG A 13 5.696 17.109 -8.934 1.00 0.00 C ATOM 219 CD ARG A 13 4.636 18.127 -8.720 1.00 0.00 C ATOM 220 NE ARG A 13 5.188 19.467 -8.596 1.00 0.00 N ATOM 221 CZ ARG A 13 5.449 20.286 -9.633 1.00 0.00 C ATOM 222 NH1 ARG A 13 5.204 19.889 -10.862 1.00 0.00 N ATOM 223 NH2 ARG A 13 5.952 21.489 -9.415 1.00 0.00 N ATOM 224 H ARG A 13 3.979 13.524 -9.743 1.00 0.00 H ATOM 225 HA ARG A 13 3.446 16.202 -10.371 1.00 0.00 H ATOM 226 1HB ARG A 13 4.478 15.507 -8.265 1.00 0.00 H ATOM 227 2HB ARG A 13 5.936 15.008 -9.107 1.00 0.00 H ATOM 228 1HG ARG A 13 6.354 17.111 -8.065 1.00 0.00 H ATOM 229 2HG ARG A 13 6.266 17.389 -9.821 1.00 0.00 H ATOM 230 1HD ARG A 13 3.948 18.119 -9.564 1.00 0.00 H ATOM 231 2HD ARG A 13 4.091 17.897 -7.805 1.00 0.00 H ATOM 232 HE ARG A 13 5.390 19.808 -7.665 1.00 0.00 H ATOM 233 1HH1 ARG A 13 4.820 18.969 -11.029 1.00 0.00 H ATOM 234 2HH1 ARG A 13 5.400 20.502 -11.640 1.00 0.00 H ATOM 235 1HH2 ARG A 13 6.140 21.794 -8.470 1.00 0.00 H ATOM 236 2HH2 ARG A 13 6.147 22.102 -10.192 1.00 0.00 H ATOM 237 N ARG A 14 6.087 15.018 -11.966 1.00 0.00 N ATOM 238 CA ARG A 14 6.938 15.229 -13.131 1.00 0.00 C ATOM 239 C ARG A 14 6.161 15.031 -14.425 1.00 0.00 C ATOM 240 O ARG A 14 6.338 15.778 -15.388 1.00 0.00 O ATOM 241 CB ARG A 14 8.125 14.277 -13.106 1.00 0.00 C ATOM 242 CG ARG A 14 9.170 14.585 -12.045 1.00 0.00 C ATOM 243 CD ARG A 14 10.390 13.757 -12.219 1.00 0.00 C ATOM 244 NE ARG A 14 10.120 12.343 -12.012 1.00 0.00 N ATOM 245 CZ ARG A 14 10.263 11.701 -10.836 1.00 0.00 C ATOM 246 NH1 ARG A 14 10.673 12.357 -9.774 1.00 0.00 N ATOM 247 NH2 ARG A 14 9.990 10.410 -10.751 1.00 0.00 N ATOM 248 H ARG A 14 6.195 14.174 -11.424 1.00 0.00 H ATOM 249 HA ARG A 14 7.317 16.251 -13.103 1.00 0.00 H ATOM 250 1HB ARG A 14 7.773 13.261 -12.936 1.00 0.00 H ATOM 251 2HB ARG A 14 8.625 14.293 -14.075 1.00 0.00 H ATOM 252 1HG ARG A 14 9.456 15.635 -12.110 1.00 0.00 H ATOM 253 2HG ARG A 14 8.755 14.383 -11.057 1.00 0.00 H ATOM 254 1HD ARG A 14 10.777 13.886 -13.229 1.00 0.00 H ATOM 255 2HD ARG A 14 11.146 14.068 -11.499 1.00 0.00 H ATOM 256 HE ARG A 14 9.802 11.804 -12.807 1.00 0.00 H ATOM 257 1HH1 ARG A 14 10.881 13.344 -9.839 1.00 0.00 H ATOM 258 2HH1 ARG A 14 10.780 11.876 -8.893 1.00 0.00 H ATOM 259 1HH2 ARG A 14 9.675 9.905 -11.568 1.00 0.00 H ATOM 260 2HH2 ARG A 14 10.097 9.929 -9.871 1.00 0.00 H ATOM 261 N LEU A 15 5.297 14.021 -14.443 1.00 0.00 N ATOM 262 CA LEU A 15 4.584 13.644 -15.658 1.00 0.00 C ATOM 263 C LEU A 15 3.765 14.807 -16.201 1.00 0.00 C ATOM 264 O LEU A 15 3.800 15.100 -17.396 1.00 0.00 O ATOM 265 CB LEU A 15 3.665 12.447 -15.382 1.00 0.00 C ATOM 266 CG LEU A 15 2.777 12.007 -16.552 1.00 0.00 C ATOM 267 CD1 LEU A 15 3.649 11.468 -17.678 1.00 0.00 C ATOM 268 CD2 LEU A 15 1.789 10.954 -16.073 1.00 0.00 C ATOM 269 H LEU A 15 5.129 13.503 -13.593 1.00 0.00 H ATOM 270 HA LEU A 15 5.317 13.350 -16.411 1.00 0.00 H ATOM 271 1HB LEU A 15 4.280 11.596 -15.095 1.00 0.00 H ATOM 272 2HB LEU A 15 3.012 12.696 -14.545 1.00 0.00 H ATOM 273 HG LEU A 15 2.230 12.868 -16.938 1.00 0.00 H ATOM 274 1HD1 LEU A 15 3.018 11.155 -18.510 1.00 0.00 H ATOM 275 2HD1 LEU A 15 4.332 12.248 -18.015 1.00 0.00 H ATOM 276 3HD1 LEU A 15 4.221 10.614 -17.317 1.00 0.00 H ATOM 277 1HD2 LEU A 15 1.157 10.642 -16.905 1.00 0.00 H ATOM 278 2HD2 LEU A 15 2.335 10.092 -15.688 1.00 0.00 H ATOM 279 3HD2 LEU A 15 1.167 11.372 -15.281 1.00 0.00 H ATOM 280 N ASN A 16 3.027 15.468 -15.315 1.00 0.00 N ATOM 281 CA ASN A 16 2.141 16.555 -15.715 1.00 0.00 C ATOM 282 C ASN A 16 1.127 16.086 -16.751 1.00 0.00 C ATOM 283 O ASN A 16 0.891 16.761 -17.753 1.00 0.00 O ATOM 284 CB ASN A 16 2.942 17.730 -16.246 1.00 0.00 C ATOM 285 CG ASN A 16 2.154 19.010 -16.253 1.00 0.00 C ATOM 286 OD1 ASN A 16 1.284 19.223 -15.401 1.00 0.00 O ATOM 287 ND2 ASN A 16 2.442 19.867 -17.199 1.00 0.00 N ATOM 288 H ASN A 16 3.081 15.211 -14.340 1.00 0.00 H ATOM 289 HA ASN A 16 1.579 16.884 -14.840 1.00 0.00 H ATOM 290 1HB ASN A 16 3.834 17.868 -15.633 1.00 0.00 H ATOM 291 2HB ASN A 16 3.273 17.515 -17.262 1.00 0.00 H ATOM 292 1HD2 ASN A 16 1.950 20.737 -17.253 1.00 0.00 H ATOM 293 2HD2 ASN A 16 3.154 19.654 -17.868 1.00 0.00 H ATOM 294 N ASP A 17 0.528 14.927 -16.502 1.00 0.00 N ATOM 295 CA ASP A 17 -0.431 14.345 -17.434 1.00 0.00 C ATOM 296 C ASP A 17 -1.338 13.340 -16.735 1.00 0.00 C ATOM 297 O ASP A 17 -1.219 13.115 -15.530 1.00 0.00 O ATOM 298 CB ASP A 17 0.297 13.663 -18.596 1.00 0.00 C ATOM 299 CG ASP A 17 -0.517 13.658 -19.883 1.00 0.00 C ATOM 300 OD1 ASP A 17 -1.697 13.910 -19.818 1.00 0.00 O ATOM 301 OD2 ASP A 17 0.050 13.403 -20.919 1.00 0.00 O ATOM 302 H ASP A 17 0.743 14.436 -15.647 1.00 0.00 H ATOM 303 HA ASP A 17 -1.047 15.146 -17.843 1.00 0.00 H ATOM 304 1HB ASP A 17 1.242 14.172 -18.782 1.00 0.00 H ATOM 305 2HB ASP A 17 0.528 12.632 -18.325 1.00 0.00 H ATOM 306 N ILE A 18 -2.244 12.738 -17.496 1.00 0.00 N ATOM 307 CA ILE A 18 -3.133 11.712 -16.965 1.00 0.00 C ATOM 308 C ILE A 18 -2.354 10.474 -16.541 1.00 0.00 C ATOM 309 O ILE A 18 -1.576 9.921 -17.318 1.00 0.00 O ATOM 310 CB ILE A 18 -4.200 11.318 -18.003 1.00 0.00 C ATOM 311 CG1 ILE A 18 -5.296 10.474 -17.348 1.00 0.00 C ATOM 312 CG2 ILE A 18 -3.563 10.564 -19.160 1.00 0.00 C ATOM 313 CD1 ILE A 18 -6.185 11.254 -16.406 1.00 0.00 C ATOM 314 H ILE A 18 -2.320 12.997 -18.470 1.00 0.00 H ATOM 315 HA ILE A 18 -3.647 12.118 -16.093 1.00 0.00 H ATOM 316 HB ILE A 18 -4.681 12.216 -18.388 1.00 0.00 H ATOM 317 1HG1 ILE A 18 -5.923 10.030 -18.120 1.00 0.00 H ATOM 318 2HG1 ILE A 18 -4.841 9.657 -16.788 1.00 0.00 H ATOM 319 1HG2 ILE A 18 -4.330 10.292 -19.884 1.00 0.00 H ATOM 320 2HG2 ILE A 18 -2.818 11.197 -19.641 1.00 0.00 H ATOM 321 3HG2 ILE A 18 -3.082 9.660 -18.784 1.00 0.00 H ATOM 322 1HD1 ILE A 18 -6.937 10.588 -15.981 1.00 0.00 H ATOM 323 2HD1 ILE A 18 -5.582 11.679 -15.603 1.00 0.00 H ATOM 324 3HD1 ILE A 18 -6.680 12.056 -16.952 1.00 0.00 H ATOM 325 N ILE A 19 -2.567 10.043 -15.302 1.00 0.00 N ATOM 326 CA ILE A 19 -1.923 8.840 -14.788 1.00 0.00 C ATOM 327 C ILE A 19 -2.940 7.900 -14.152 1.00 0.00 C ATOM 328 O ILE A 19 -3.781 8.326 -13.360 1.00 0.00 O ATOM 329 CB ILE A 19 -0.837 9.196 -13.757 1.00 0.00 C ATOM 330 CG1 ILE A 19 -0.121 7.930 -13.277 1.00 0.00 C ATOM 331 CG2 ILE A 19 -1.444 9.946 -12.581 1.00 0.00 C ATOM 332 CD1 ILE A 19 1.143 8.203 -12.494 1.00 0.00 C ATOM 333 H ILE A 19 -3.190 10.563 -14.700 1.00 0.00 H ATOM 334 HA ILE A 19 -1.443 8.323 -15.620 1.00 0.00 H ATOM 335 HB ILE A 19 -0.082 9.825 -14.226 1.00 0.00 H ATOM 336 1HG1 ILE A 19 -0.793 7.349 -12.647 1.00 0.00 H ATOM 337 2HG1 ILE A 19 0.138 7.311 -14.136 1.00 0.00 H ATOM 338 1HG2 ILE A 19 -0.663 10.189 -11.862 1.00 0.00 H ATOM 339 2HG2 ILE A 19 -1.908 10.865 -12.937 1.00 0.00 H ATOM 340 3HG2 ILE A 19 -2.197 9.321 -12.101 1.00 0.00 H ATOM 341 1HD1 ILE A 19 1.593 7.258 -12.189 1.00 0.00 H ATOM 342 2HD1 ILE A 19 1.846 8.755 -13.119 1.00 0.00 H ATOM 343 3HD1 ILE A 19 0.903 8.792 -11.610 1.00 0.00 H ATOM 344 N ILE A 20 -2.858 6.622 -14.503 1.00 0.00 N ATOM 345 CA ILE A 20 -3.843 5.642 -14.063 1.00 0.00 C ATOM 346 C ILE A 20 -3.216 4.608 -13.136 1.00 0.00 C ATOM 347 O ILE A 20 -2.202 3.996 -13.468 1.00 0.00 O ATOM 348 CB ILE A 20 -4.485 4.929 -15.267 1.00 0.00 C ATOM 349 CG1 ILE A 20 -5.111 5.950 -16.220 1.00 0.00 C ATOM 350 CG2 ILE A 20 -5.527 3.925 -14.798 1.00 0.00 C ATOM 351 CD1 ILE A 20 -4.164 6.453 -17.286 1.00 0.00 C ATOM 352 H ILE A 20 -2.093 6.321 -15.090 1.00 0.00 H ATOM 353 HA ILE A 20 -4.633 6.164 -13.521 1.00 0.00 H ATOM 354 HB ILE A 20 -3.715 4.403 -15.831 1.00 0.00 H ATOM 355 1HG1 ILE A 20 -5.975 5.506 -16.713 1.00 0.00 H ATOM 356 2HG1 ILE A 20 -5.468 6.809 -15.650 1.00 0.00 H ATOM 357 1HG2 ILE A 20 -5.971 3.431 -15.662 1.00 0.00 H ATOM 358 2HG2 ILE A 20 -5.053 3.182 -14.159 1.00 0.00 H ATOM 359 3HG2 ILE A 20 -6.305 4.444 -14.237 1.00 0.00 H ATOM 360 1HD1 ILE A 20 -4.680 7.173 -17.921 1.00 0.00 H ATOM 361 2HD1 ILE A 20 -3.307 6.934 -16.813 1.00 0.00 H ATOM 362 3HD1 ILE A 20 -3.821 5.615 -17.892 1.00 0.00 H ATOM 363 N VAL A 21 -3.828 4.418 -11.972 1.00 0.00 N ATOM 364 CA VAL A 21 -3.404 3.374 -11.046 1.00 0.00 C ATOM 365 C VAL A 21 -4.514 2.357 -10.818 1.00 0.00 C ATOM 366 O VAL A 21 -5.533 2.662 -10.199 1.00 0.00 O ATOM 367 CB VAL A 21 -2.992 3.991 -9.696 1.00 0.00 C ATOM 368 CG1 VAL A 21 -1.856 4.984 -9.888 1.00 0.00 C ATOM 369 CG2 VAL A 21 -4.192 4.664 -9.047 1.00 0.00 C ATOM 370 H VAL A 21 -4.605 5.012 -11.721 1.00 0.00 H ATOM 371 HA VAL A 21 -2.541 2.861 -11.473 1.00 0.00 H ATOM 372 HB VAL A 21 -2.621 3.200 -9.044 1.00 0.00 H ATOM 373 1HG1 VAL A 21 -1.578 5.410 -8.924 1.00 0.00 H ATOM 374 2HG1 VAL A 21 -0.996 4.473 -10.321 1.00 0.00 H ATOM 375 3HG1 VAL A 21 -2.179 5.782 -10.557 1.00 0.00 H ATOM 376 1HG2 VAL A 21 -3.894 5.097 -8.092 1.00 0.00 H ATOM 377 2HG2 VAL A 21 -4.567 5.450 -9.702 1.00 0.00 H ATOM 378 3HG2 VAL A 21 -4.977 3.926 -8.880 1.00 0.00 H ATOM 379 N TRP A 22 -4.310 1.143 -11.322 1.00 0.00 N ATOM 380 CA TRP A 22 -5.384 0.162 -11.413 1.00 0.00 C ATOM 381 C TRP A 22 -6.551 0.695 -12.233 1.00 0.00 C ATOM 382 O TRP A 22 -6.464 0.805 -13.456 1.00 0.00 O ATOM 383 CB TRP A 22 -5.873 -0.225 -10.015 1.00 0.00 C ATOM 384 CG TRP A 22 -4.915 -1.102 -9.268 1.00 0.00 C ATOM 385 CD1 TRP A 22 -3.722 -0.730 -8.725 1.00 0.00 C ATOM 386 CD2 TRP A 22 -5.066 -2.513 -8.975 1.00 0.00 C ATOM 387 NE1 TRP A 22 -3.122 -1.805 -8.118 1.00 0.00 N ATOM 388 CE2 TRP A 22 -3.931 -2.904 -8.260 1.00 0.00 C ATOM 389 CE3 TRP A 22 -6.059 -3.459 -9.257 1.00 0.00 C ATOM 390 CZ2 TRP A 22 -3.754 -4.207 -7.821 1.00 0.00 C ATOM 391 CZ3 TRP A 22 -5.882 -4.765 -8.815 1.00 0.00 C ATOM 392 CH2 TRP A 22 -4.759 -5.128 -8.115 1.00 0.00 C ATOM 393 H TRP A 22 -3.388 0.896 -11.651 1.00 0.00 H ATOM 394 HA TRP A 22 -4.994 -0.734 -11.899 1.00 0.00 H ATOM 395 1HB TRP A 22 -6.042 0.677 -9.427 1.00 0.00 H ATOM 396 2HB TRP A 22 -6.826 -0.748 -10.095 1.00 0.00 H ATOM 397 HD1 TRP A 22 -3.306 0.275 -8.766 1.00 0.00 H ATOM 398 HE1 TRP A 22 -2.230 -1.791 -7.645 1.00 0.00 H ATOM 399 HE3 TRP A 22 -6.954 -3.175 -9.810 1.00 0.00 H ATOM 400 HZ2 TRP A 22 -2.869 -4.515 -7.263 1.00 0.00 H ATOM 401 HZ3 TRP A 22 -6.659 -5.496 -9.040 1.00 0.00 H ATOM 402 HH2 TRP A 22 -4.653 -6.161 -7.783 1.00 0.00 H ATOM 403 N ARG A 23 -7.644 1.024 -11.553 1.00 0.00 N ATOM 404 CA ARG A 23 -8.865 1.451 -12.226 1.00 0.00 C ATOM 405 C ARG A 23 -9.205 2.896 -11.884 1.00 0.00 C ATOM 406 O ARG A 23 -10.326 3.352 -12.114 1.00 0.00 O ATOM 407 CB ARG A 23 -10.031 0.553 -11.840 1.00 0.00 C ATOM 408 CG ARG A 23 -10.399 0.581 -10.365 1.00 0.00 C ATOM 409 CD ARG A 23 -11.352 1.677 -10.058 1.00 0.00 C ATOM 410 NE ARG A 23 -12.060 1.446 -8.808 1.00 0.00 N ATOM 411 CZ ARG A 23 -12.887 2.333 -8.223 1.00 0.00 C ATOM 412 NH1 ARG A 23 -13.101 3.503 -8.784 1.00 0.00 N ATOM 413 NH2 ARG A 23 -13.485 2.028 -7.084 1.00 0.00 N ATOM 414 H ARG A 23 -7.629 0.977 -10.544 1.00 0.00 H ATOM 415 HA ARG A 23 -8.712 1.373 -13.302 1.00 0.00 H ATOM 416 1HB ARG A 23 -10.915 0.842 -12.406 1.00 0.00 H ATOM 417 2HB ARG A 23 -9.797 -0.479 -12.103 1.00 0.00 H ATOM 418 1HG ARG A 23 -10.864 -0.366 -10.088 1.00 0.00 H ATOM 419 2HG ARG A 23 -9.499 0.731 -9.768 1.00 0.00 H ATOM 420 1HD ARG A 23 -10.809 2.618 -9.973 1.00 0.00 H ATOM 421 2HD ARG A 23 -12.088 1.754 -10.857 1.00 0.00 H ATOM 422 HE ARG A 23 -11.920 0.557 -8.347 1.00 0.00 H ATOM 423 1HH1 ARG A 23 -12.644 3.736 -9.654 1.00 0.00 H ATOM 424 2HH1 ARG A 23 -13.721 4.168 -8.345 1.00 0.00 H ATOM 425 1HH2 ARG A 23 -13.320 1.128 -6.653 1.00 0.00 H ATOM 426 2HH2 ARG A 23 -14.105 2.692 -6.645 1.00 0.00 H ATOM 427 N PHE A 24 -8.231 3.614 -11.335 1.00 0.00 N ATOM 428 CA PHE A 24 -8.424 5.012 -10.968 1.00 0.00 C ATOM 429 C PHE A 24 -7.710 5.940 -11.942 1.00 0.00 C ATOM 430 O PHE A 24 -6.497 6.135 -11.855 1.00 0.00 O ATOM 431 CB PHE A 24 -7.916 5.267 -9.547 1.00 0.00 C ATOM 432 CG PHE A 24 -8.629 4.466 -8.496 1.00 0.00 C ATOM 433 CD1 PHE A 24 -8.282 3.145 -8.255 1.00 0.00 C ATOM 434 CD2 PHE A 24 -9.649 5.031 -7.746 1.00 0.00 C ATOM 435 CE1 PHE A 24 -8.937 2.407 -7.288 1.00 0.00 C ATOM 436 CE2 PHE A 24 -10.306 4.296 -6.777 1.00 0.00 C ATOM 437 CZ PHE A 24 -9.949 2.982 -6.549 1.00 0.00 C ATOM 438 H PHE A 24 -7.336 3.180 -11.166 1.00 0.00 H ATOM 439 HA PHE A 24 -9.491 5.233 -10.993 1.00 0.00 H ATOM 440 1HB PHE A 24 -6.854 5.030 -9.493 1.00 0.00 H ATOM 441 2HB PHE A 24 -8.028 6.323 -9.305 1.00 0.00 H ATOM 442 HD1 PHE A 24 -7.481 2.690 -8.839 1.00 0.00 H ATOM 443 HD2 PHE A 24 -9.931 6.068 -7.926 1.00 0.00 H ATOM 444 HE1 PHE A 24 -8.654 1.370 -7.110 1.00 0.00 H ATOM 445 HE2 PHE A 24 -11.105 4.752 -6.194 1.00 0.00 H ATOM 446 HZ PHE A 24 -10.467 2.401 -5.787 1.00 0.00 H ATOM 447 N GLU A 25 -8.469 6.512 -12.870 1.00 0.00 N ATOM 448 CA GLU A 25 -7.903 7.382 -13.894 1.00 0.00 C ATOM 449 C GLU A 25 -8.177 8.848 -13.584 1.00 0.00 C ATOM 450 O GLU A 25 -9.325 9.292 -13.605 1.00 0.00 O ATOM 451 CB GLU A 25 -8.471 7.026 -15.270 1.00 0.00 C ATOM 452 CG GLU A 25 -8.088 7.997 -16.378 1.00 0.00 C ATOM 453 CD GLU A 25 -8.573 7.559 -17.732 1.00 0.00 C ATOM 454 OE1 GLU A 25 -9.152 6.504 -17.822 1.00 0.00 O ATOM 455 OE2 GLU A 25 -8.364 8.282 -18.678 1.00 0.00 O ATOM 456 H GLU A 25 -9.464 6.340 -12.867 1.00 0.00 H ATOM 457 HA GLU A 25 -6.824 7.227 -13.921 1.00 0.00 H ATOM 458 1HB GLU A 25 -8.126 6.034 -15.560 1.00 0.00 H ATOM 459 2HB GLU A 25 -9.559 6.993 -15.216 1.00 0.00 H ATOM 460 1HG GLU A 25 -8.510 8.975 -16.152 1.00 0.00 H ATOM 461 2HG GLU A 25 -7.003 8.096 -16.400 1.00 0.00 H ATOM 462 N THR A 26 -7.117 9.595 -13.297 1.00 0.00 N ATOM 463 CA THR A 26 -7.246 11.002 -12.937 1.00 0.00 C ATOM 464 C THR A 26 -5.901 11.714 -13.003 1.00 0.00 C ATOM 465 O THR A 26 -4.848 11.081 -12.913 1.00 0.00 O ATOM 466 CB THR A 26 -7.845 11.160 -11.527 1.00 0.00 C ATOM 467 OG1 THR A 26 -8.031 12.551 -11.237 1.00 0.00 O ATOM 468 CG2 THR A 26 -6.924 10.547 -10.484 1.00 0.00 C ATOM 469 H THR A 26 -6.198 9.179 -13.329 1.00 0.00 H ATOM 470 HA THR A 26 -7.929 11.479 -13.641 1.00 0.00 H ATOM 471 HB THR A 26 -8.814 10.661 -11.485 1.00 0.00 H ATOM 472 HG1 THR A 26 -8.802 12.875 -11.708 1.00 0.00 H ATOM 473 1HG2 THR A 26 -7.363 10.667 -9.494 1.00 0.00 H ATOM 474 2HG2 THR A 26 -6.789 9.486 -10.695 1.00 0.00 H ATOM 475 3HG2 THR A 26 -5.957 11.047 -10.514 1.00 0.00 H ATOM 476 N GLU A 27 -5.941 13.032 -13.162 1.00 0.00 N ATOM 477 CA GLU A 27 -4.735 13.849 -13.106 1.00 0.00 C ATOM 478 C GLU A 27 -4.206 13.954 -11.681 1.00 0.00 C ATOM 479 O GLU A 27 -3.003 14.102 -11.465 1.00 0.00 O ATOM 480 CB GLU A 27 -5.011 15.247 -13.663 1.00 0.00 C ATOM 481 CG GLU A 27 -5.336 15.280 -15.149 1.00 0.00 C ATOM 482 CD GLU A 27 -6.761 14.900 -15.445 1.00 0.00 C ATOM 483 OE1 GLU A 27 -7.484 14.618 -14.521 1.00 0.00 O ATOM 484 OE2 GLU A 27 -7.125 14.893 -16.597 1.00 0.00 O ATOM 485 H GLU A 27 -6.831 13.480 -13.325 1.00 0.00 H ATOM 486 HA GLU A 27 -3.971 13.380 -13.729 1.00 0.00 H ATOM 487 1HB GLU A 27 -5.850 15.693 -13.127 1.00 0.00 H ATOM 488 2HB GLU A 27 -4.142 15.883 -13.496 1.00 0.00 H ATOM 489 1HG GLU A 27 -5.154 16.285 -15.529 1.00 0.00 H ATOM 490 2HG GLU A 27 -4.667 14.597 -15.671 1.00 0.00 H ATOM 491 N ASN A 28 -5.111 13.875 -10.712 1.00 0.00 N ATOM 492 CA ASN A 28 -4.733 13.916 -9.305 1.00 0.00 C ATOM 493 C ASN A 28 -4.558 12.512 -8.740 1.00 0.00 C ATOM 494 O ASN A 28 -5.513 11.904 -8.258 1.00 0.00 O ATOM 495 CB ASN A 28 -5.758 14.693 -8.499 1.00 0.00 C ATOM 496 CG ASN A 28 -5.414 14.760 -7.037 1.00 0.00 C ATOM 497 OD1 ASN A 28 -4.844 13.816 -6.477 1.00 0.00 O ATOM 498 ND2 ASN A 28 -5.748 15.857 -6.408 1.00 0.00 N ATOM 499 H ASN A 28 -6.087 13.784 -10.957 1.00 0.00 H ATOM 500 HA ASN A 28 -3.786 14.450 -9.216 1.00 0.00 H ATOM 501 1HB ASN A 28 -5.835 15.708 -8.889 1.00 0.00 H ATOM 502 2HB ASN A 28 -6.737 14.225 -8.608 1.00 0.00 H ATOM 503 1HD2 ASN A 28 -5.544 15.958 -5.434 1.00 0.00 H ATOM 504 2HD2 ASN A 28 -6.208 16.595 -6.901 1.00 0.00 H ATOM 505 N VAL A 29 -3.332 12.004 -8.803 1.00 0.00 N ATOM 506 CA VAL A 29 -3.068 10.604 -8.496 1.00 0.00 C ATOM 507 C VAL A 29 -3.032 10.366 -6.992 1.00 0.00 C ATOM 508 O VAL A 29 -3.333 9.270 -6.519 1.00 0.00 O ATOM 509 CB VAL A 29 -1.727 10.166 -9.114 1.00 0.00 C ATOM 510 CG1 VAL A 29 -0.565 10.625 -8.246 1.00 0.00 C ATOM 511 CG2 VAL A 29 -1.706 8.655 -9.288 1.00 0.00 C ATOM 512 H VAL A 29 -2.564 12.603 -9.069 1.00 0.00 H ATOM 513 HA VAL A 29 -3.866 9.998 -8.926 1.00 0.00 H ATOM 514 HB VAL A 29 -1.611 10.645 -10.086 1.00 0.00 H ATOM 515 1HG1 VAL A 29 0.375 10.307 -8.698 1.00 0.00 H ATOM 516 2HG1 VAL A 29 -0.579 11.712 -8.165 1.00 0.00 H ATOM 517 3HG1 VAL A 29 -0.656 10.185 -7.253 1.00 0.00 H ATOM 518 1HG2 VAL A 29 -0.755 8.352 -9.726 1.00 0.00 H ATOM 519 2HG2 VAL A 29 -1.827 8.175 -8.316 1.00 0.00 H ATOM 520 3HG2 VAL A 29 -2.521 8.353 -9.946 1.00 0.00 H ATOM 521 N GLU A 30 -2.660 11.399 -6.243 1.00 0.00 N ATOM 522 CA GLU A 30 -2.627 11.319 -4.788 1.00 0.00 C ATOM 523 C GLU A 30 -3.972 10.872 -4.230 1.00 0.00 C ATOM 524 O GLU A 30 -4.032 10.072 -3.295 1.00 0.00 O ATOM 525 CB GLU A 30 -2.238 12.672 -4.188 1.00 0.00 C ATOM 526 CG GLU A 30 -2.095 12.670 -2.673 1.00 0.00 C ATOM 527 CD GLU A 30 -1.677 14.006 -2.123 1.00 0.00 C ATOM 528 OE1 GLU A 30 -1.482 14.911 -2.898 1.00 0.00 O ATOM 529 OE2 GLU A 30 -1.551 14.120 -0.926 1.00 0.00 O ATOM 530 H GLU A 30 -2.396 12.263 -6.694 1.00 0.00 H ATOM 531 HA GLU A 30 -1.869 10.589 -4.500 1.00 0.00 H ATOM 532 1HB GLU A 30 -1.290 13.000 -4.614 1.00 0.00 H ATOM 533 2HB GLU A 30 -2.990 13.416 -4.452 1.00 0.00 H ATOM 534 1HG GLU A 30 -3.049 12.390 -2.228 1.00 0.00 H ATOM 535 2HG GLU A 30 -1.359 11.919 -2.389 1.00 0.00 H ATOM 536 N ARG A 31 -5.049 11.393 -4.807 1.00 0.00 N ATOM 537 CA ARG A 31 -6.396 10.996 -4.415 1.00 0.00 C ATOM 538 C ARG A 31 -6.719 9.588 -4.899 1.00 0.00 C ATOM 539 O ARG A 31 -7.330 8.799 -4.179 1.00 0.00 O ATOM 540 CB ARG A 31 -7.424 11.969 -4.973 1.00 0.00 C ATOM 541 CG ARG A 31 -8.871 11.617 -4.665 1.00 0.00 C ATOM 542 CD ARG A 31 -9.139 11.626 -3.204 1.00 0.00 C ATOM 543 NE ARG A 31 -10.544 11.395 -2.910 1.00 0.00 N ATOM 544 CZ ARG A 31 -11.044 11.191 -1.675 1.00 0.00 C ATOM 545 NH1 ARG A 31 -10.242 11.192 -0.633 1.00 0.00 N ATOM 546 NH2 ARG A 31 -12.340 10.990 -1.512 1.00 0.00 N ATOM 547 H ARG A 31 -4.931 12.081 -5.537 1.00 0.00 H ATOM 548 HA ARG A 31 -6.458 11.014 -3.327 1.00 0.00 H ATOM 549 1HB ARG A 31 -7.235 12.965 -4.575 1.00 0.00 H ATOM 550 2HB ARG A 31 -7.322 12.025 -6.057 1.00 0.00 H ATOM 551 1HG ARG A 31 -9.531 12.343 -5.140 1.00 0.00 H ATOM 552 2HG ARG A 31 -9.092 10.620 -5.049 1.00 0.00 H ATOM 553 1HD ARG A 31 -8.557 10.841 -2.723 1.00 0.00 H ATOM 554 2HD ARG A 31 -8.858 12.593 -2.789 1.00 0.00 H ATOM 555 HE ARG A 31 -11.192 11.387 -3.686 1.00 0.00 H ATOM 556 1HH1 ARG A 31 -9.251 11.346 -0.759 1.00 0.00 H ATOM 557 2HH1 ARG A 31 -10.616 11.039 0.292 1.00 0.00 H ATOM 558 1HH2 ARG A 31 -12.956 10.989 -2.313 1.00 0.00 H ATOM 559 2HH2 ARG A 31 -12.714 10.837 -0.587 1.00 0.00 H ATOM 560 N ALA A 32 -6.304 9.279 -6.123 1.00 0.00 N ATOM 561 CA ALA A 32 -6.495 7.947 -6.683 1.00 0.00 C ATOM 562 C ALA A 32 -5.799 6.889 -5.836 1.00 0.00 C ATOM 563 O ALA A 32 -6.328 5.796 -5.632 1.00 0.00 O ATOM 564 CB ALA A 32 -5.985 7.896 -8.116 1.00 0.00 C ATOM 565 H ALA A 32 -5.844 9.986 -6.680 1.00 0.00 H ATOM 566 HA ALA A 32 -7.563 7.730 -6.705 1.00 0.00 H ATOM 567 1HB ALA A 32 -6.134 6.895 -8.520 1.00 0.00 H ATOM 568 2HB ALA A 32 -6.533 8.618 -8.723 1.00 0.00 H ATOM 569 3HB ALA A 32 -4.924 8.140 -8.133 1.00 0.00 H ATOM 570 N LEU A 33 -4.609 7.219 -5.346 1.00 0.00 N ATOM 571 CA LEU A 33 -3.812 6.277 -4.568 1.00 0.00 C ATOM 572 C LEU A 33 -4.437 6.025 -3.202 1.00 0.00 C ATOM 573 O LEU A 33 -4.451 4.895 -2.715 1.00 0.00 O ATOM 574 CB LEU A 33 -2.384 6.809 -4.393 1.00 0.00 C ATOM 575 CG LEU A 33 -1.527 6.847 -5.665 1.00 0.00 C ATOM 576 CD1 LEU A 33 -0.316 7.739 -5.435 1.00 0.00 C ATOM 577 CD2 LEU A 33 -1.103 5.433 -6.033 1.00 0.00 C ATOM 578 H LEU A 33 -4.247 8.147 -5.517 1.00 0.00 H ATOM 579 HA LEU A 33 -3.765 5.333 -5.111 1.00 0.00 H ATOM 580 1HB LEU A 33 -2.437 7.823 -3.999 1.00 0.00 H ATOM 581 2HB LEU A 33 -1.868 6.184 -3.664 1.00 0.00 H ATOM 582 HG LEU A 33 -2.108 7.276 -6.482 1.00 0.00 H ATOM 583 1HD1 LEU A 33 0.293 7.766 -6.339 1.00 0.00 H ATOM 584 2HD1 LEU A 33 -0.648 8.749 -5.192 1.00 0.00 H ATOM 585 3HD1 LEU A 33 0.277 7.344 -4.611 1.00 0.00 H ATOM 586 1HD2 LEU A 33 -0.495 5.460 -6.938 1.00 0.00 H ATOM 587 2HD2 LEU A 33 -0.522 5.003 -5.218 1.00 0.00 H ATOM 588 3HD2 LEU A 33 -1.988 4.821 -6.209 1.00 0.00 H ATOM 589 N ARG A 34 -4.955 7.083 -2.588 1.00 0.00 N ATOM 590 CA ARG A 34 -5.632 6.969 -1.302 1.00 0.00 C ATOM 591 C ARG A 34 -6.890 6.118 -1.416 1.00 0.00 C ATOM 592 O ARG A 34 -7.163 5.279 -0.558 1.00 0.00 O ATOM 593 CB ARG A 34 -6.001 8.345 -0.767 1.00 0.00 C ATOM 594 CG ARG A 34 -6.534 8.355 0.657 1.00 0.00 C ATOM 595 CD ARG A 34 -5.556 7.775 1.613 1.00 0.00 C ATOM 596 NE ARG A 34 -4.316 8.534 1.649 1.00 0.00 N ATOM 597 CZ ARG A 34 -3.154 8.077 2.154 1.00 0.00 C ATOM 598 NH1 ARG A 34 -3.089 6.866 2.663 1.00 0.00 N ATOM 599 NH2 ARG A 34 -2.079 8.845 2.140 1.00 0.00 N ATOM 600 H ARG A 34 -4.877 7.991 -3.024 1.00 0.00 H ATOM 601 HA ARG A 34 -4.951 6.494 -0.594 1.00 0.00 H ATOM 602 1HB ARG A 34 -5.126 8.993 -0.797 1.00 0.00 H ATOM 603 2HB ARG A 34 -6.762 8.792 -1.407 1.00 0.00 H ATOM 604 1HG ARG A 34 -6.742 9.382 0.960 1.00 0.00 H ATOM 605 2HG ARG A 34 -7.452 7.769 0.707 1.00 0.00 H ATOM 606 1HD ARG A 34 -5.984 7.775 2.615 1.00 0.00 H ATOM 607 2HD ARG A 34 -5.322 6.753 1.319 1.00 0.00 H ATOM 608 HE ARG A 34 -4.327 9.470 1.266 1.00 0.00 H ATOM 609 1HH1 ARG A 34 -3.911 6.278 2.674 1.00 0.00 H ATOM 610 2HH1 ARG A 34 -2.218 6.523 3.042 1.00 0.00 H ATOM 611 1HH2 ARG A 34 -2.129 9.776 1.749 1.00 0.00 H ATOM 612 2HH2 ARG A 34 -1.209 8.503 2.519 1.00 0.00 H ATOM 613 N LEU A 35 -7.653 6.340 -2.480 1.00 0.00 N ATOM 614 CA LEU A 35 -8.838 5.535 -2.755 1.00 0.00 C ATOM 615 C LEU A 35 -8.459 4.118 -3.164 1.00 0.00 C ATOM 616 O LEU A 35 -9.169 3.161 -2.853 1.00 0.00 O ATOM 617 CB LEU A 35 -9.676 6.186 -3.862 1.00 0.00 C ATOM 618 CG LEU A 35 -10.308 7.539 -3.509 1.00 0.00 C ATOM 619 CD1 LEU A 35 -10.913 8.159 -4.761 1.00 0.00 C ATOM 620 CD2 LEU A 35 -11.364 7.341 -2.432 1.00 0.00 C ATOM 621 H LEU A 35 -7.407 7.084 -3.117 1.00 0.00 H ATOM 622 HA LEU A 35 -9.442 5.487 -1.847 1.00 0.00 H ATOM 623 1HB LEU A 35 -9.044 6.334 -4.735 1.00 0.00 H ATOM 624 2HB LEU A 35 -10.483 5.505 -4.133 1.00 0.00 H ATOM 625 HG LEU A 35 -9.536 8.216 -3.141 1.00 0.00 H ATOM 626 1HD1 LEU A 35 -11.362 9.121 -4.511 1.00 0.00 H ATOM 627 2HD1 LEU A 35 -10.133 8.307 -5.508 1.00 0.00 H ATOM 628 3HD1 LEU A 35 -11.678 7.496 -5.162 1.00 0.00 H ATOM 629 1HD2 LEU A 35 -11.812 8.303 -2.180 1.00 0.00 H ATOM 630 2HD2 LEU A 35 -12.136 6.666 -2.799 1.00 0.00 H ATOM 631 3HD2 LEU A 35 -10.900 6.914 -1.542 1.00 0.00 H ATOM 632 N LEU A 36 -7.336 3.989 -3.862 1.00 0.00 N ATOM 633 CA LEU A 36 -6.834 2.683 -4.273 1.00 0.00 C ATOM 634 C LEU A 36 -6.561 1.793 -3.066 1.00 0.00 C ATOM 635 O LEU A 36 -6.825 0.592 -3.097 1.00 0.00 O ATOM 636 CB LEU A 36 -5.551 2.844 -5.098 1.00 0.00 C ATOM 637 CG LEU A 36 -4.894 1.540 -5.567 1.00 0.00 C ATOM 638 CD1 LEU A 36 -5.863 0.773 -6.456 1.00 0.00 C ATOM 639 CD2 LEU A 36 -3.605 1.860 -6.310 1.00 0.00 C ATOM 640 H LEU A 36 -6.817 4.817 -4.114 1.00 0.00 H ATOM 641 HA LEU A 36 -7.590 2.204 -4.896 1.00 0.00 H ATOM 642 1HB LEU A 36 -5.780 3.436 -5.982 1.00 0.00 H ATOM 643 2HB LEU A 36 -4.820 3.388 -4.501 1.00 0.00 H ATOM 644 HG LEU A 36 -4.669 0.915 -4.702 1.00 0.00 H ATOM 645 1HD1 LEU A 36 -5.395 -0.154 -6.789 1.00 0.00 H ATOM 646 2HD1 LEU A 36 -6.767 0.541 -5.894 1.00 0.00 H ATOM 647 3HD1 LEU A 36 -6.120 1.381 -7.323 1.00 0.00 H ATOM 648 1HD2 LEU A 36 -3.137 0.933 -6.642 1.00 0.00 H ATOM 649 2HD2 LEU A 36 -3.829 2.484 -7.175 1.00 0.00 H ATOM 650 3HD2 LEU A 36 -2.924 2.392 -5.645 1.00 0.00 H ATOM 651 N ILE A 37 -6.030 2.392 -2.005 1.00 0.00 N ATOM 652 CA ILE A 37 -5.700 1.651 -0.794 1.00 0.00 C ATOM 653 C ILE A 37 -6.948 1.055 -0.156 1.00 0.00 C ATOM 654 O ILE A 37 -6.992 -0.137 0.152 1.00 0.00 O ATOM 655 CB ILE A 37 -4.985 2.557 0.226 1.00 0.00 C ATOM 656 CG1 ILE A 37 -3.586 2.924 -0.276 1.00 0.00 C ATOM 657 CG2 ILE A 37 -4.904 1.872 1.581 1.00 0.00 C ATOM 658 CD1 ILE A 37 -2.952 4.076 0.470 1.00 0.00 C ATOM 659 H ILE A 37 -5.850 3.385 -2.039 1.00 0.00 H ATOM 660 HA ILE A 37 -5.022 0.839 -1.058 1.00 0.00 H ATOM 661 HB ILE A 37 -5.536 3.490 0.333 1.00 0.00 H ATOM 662 1HG1 ILE A 37 -2.929 2.059 -0.189 1.00 0.00 H ATOM 663 2HG1 ILE A 37 -3.636 3.190 -1.332 1.00 0.00 H ATOM 664 1HG2 ILE A 37 -4.395 2.525 2.289 1.00 0.00 H ATOM 665 2HG2 ILE A 37 -5.910 1.660 1.942 1.00 0.00 H ATOM 666 3HG2 ILE A 37 -4.349 0.938 1.485 1.00 0.00 H ATOM 667 1HD1 ILE A 37 -1.964 4.278 0.057 1.00 0.00 H ATOM 668 2HD1 ILE A 37 -3.577 4.964 0.366 1.00 0.00 H ATOM 669 3HD1 ILE A 37 -2.859 3.819 1.524 1.00 0.00 H ATOM 670 N GLU A 38 -7.962 1.891 0.041 1.00 0.00 N ATOM 671 CA GLU A 38 -9.210 1.449 0.655 1.00 0.00 C ATOM 672 C GLU A 38 -9.952 0.473 -0.247 1.00 0.00 C ATOM 673 O GLU A 38 -10.564 -0.484 0.229 1.00 0.00 O ATOM 674 CB GLU A 38 -10.105 2.650 0.968 1.00 0.00 C ATOM 675 CG GLU A 38 -9.593 3.540 2.092 1.00 0.00 C ATOM 676 CD GLU A 38 -10.527 4.673 2.412 1.00 0.00 C ATOM 677 OE1 GLU A 38 -11.483 4.851 1.696 1.00 0.00 O ATOM 678 OE2 GLU A 38 -10.285 5.362 3.375 1.00 0.00 O ATOM 679 H GLU A 38 -7.867 2.855 -0.241 1.00 0.00 H ATOM 680 HA GLU A 38 -8.975 0.949 1.595 1.00 0.00 H ATOM 681 1HB GLU A 38 -10.212 3.267 0.075 1.00 0.00 H ATOM 682 2HB GLU A 38 -11.099 2.300 1.245 1.00 0.00 H ATOM 683 1HG GLU A 38 -9.455 2.934 2.987 1.00 0.00 H ATOM 684 2HG GLU A 38 -8.623 3.945 1.807 1.00 0.00 H ATOM 685 N TRP A 39 -9.895 0.717 -1.552 1.00 0.00 N ATOM 686 CA TRP A 39 -10.596 -0.116 -2.520 1.00 0.00 C ATOM 687 C TRP A 39 -10.035 -1.531 -2.538 1.00 0.00 C ATOM 688 O TRP A 39 -10.784 -2.509 -2.500 1.00 0.00 O ATOM 689 CB TRP A 39 -10.497 0.494 -3.919 1.00 0.00 C ATOM 690 CG TRP A 39 -11.128 -0.349 -4.985 1.00 0.00 C ATOM 691 CD1 TRP A 39 -12.457 -0.609 -5.139 1.00 0.00 C ATOM 692 CD2 TRP A 39 -10.455 -1.050 -6.059 1.00 0.00 C ATOM 693 NE1 TRP A 39 -12.657 -1.421 -6.228 1.00 0.00 N ATOM 694 CE2 TRP A 39 -11.443 -1.699 -6.804 1.00 0.00 C ATOM 695 CE3 TRP A 39 -9.114 -1.175 -6.443 1.00 0.00 C ATOM 696 CZ2 TRP A 39 -11.137 -2.470 -7.915 1.00 0.00 C ATOM 697 CZ3 TRP A 39 -8.808 -1.947 -7.557 1.00 0.00 C ATOM 698 CH2 TRP A 39 -9.794 -2.577 -8.274 1.00 0.00 C ATOM 699 H TRP A 39 -9.350 1.502 -1.881 1.00 0.00 H ATOM 700 HA TRP A 39 -11.649 -0.162 -2.238 1.00 0.00 H ATOM 701 1HB TRP A 39 -10.979 1.472 -3.925 1.00 0.00 H ATOM 702 2HB TRP A 39 -9.449 0.645 -4.177 1.00 0.00 H ATOM 703 HD1 TRP A 39 -13.245 -0.228 -4.492 1.00 0.00 H ATOM 704 HE1 TRP A 39 -13.552 -1.759 -6.553 1.00 0.00 H ATOM 705 HE3 TRP A 39 -8.328 -0.675 -5.879 1.00 0.00 H ATOM 706 HZ2 TRP A 39 -11.906 -2.978 -8.497 1.00 0.00 H ATOM 707 HZ3 TRP A 39 -7.761 -2.040 -7.848 1.00 0.00 H ATOM 708 HH2 TRP A 39 -9.518 -3.174 -9.144 1.00 0.00 H ATOM 709 N LEU A 40 -8.711 -1.637 -2.596 1.00 0.00 N ATOM 710 CA LEU A 40 -8.048 -2.934 -2.666 1.00 0.00 C ATOM 711 C LEU A 40 -8.236 -3.720 -1.375 1.00 0.00 C ATOM 712 O LEU A 40 -8.398 -4.940 -1.398 1.00 0.00 O ATOM 713 CB LEU A 40 -6.551 -2.750 -2.945 1.00 0.00 C ATOM 714 CG LEU A 40 -6.191 -2.275 -4.359 1.00 0.00 C ATOM 715 CD1 LEU A 40 -4.693 -2.017 -4.443 1.00 0.00 C ATOM 716 CD2 LEU A 40 -6.622 -3.326 -5.372 1.00 0.00 C ATOM 717 H LEU A 40 -8.150 -0.797 -2.591 1.00 0.00 H ATOM 718 HA LEU A 40 -8.485 -3.501 -3.488 1.00 0.00 H ATOM 719 1HB LEU A 40 -6.153 -2.021 -2.241 1.00 0.00 H ATOM 720 2HB LEU A 40 -6.046 -3.701 -2.776 1.00 0.00 H ATOM 721 HG LEU A 40 -6.704 -1.336 -4.570 1.00 0.00 H ATOM 722 1HD1 LEU A 40 -4.438 -1.680 -5.448 1.00 0.00 H ATOM 723 2HD1 LEU A 40 -4.416 -1.248 -3.722 1.00 0.00 H ATOM 724 3HD1 LEU A 40 -4.152 -2.936 -4.221 1.00 0.00 H ATOM 725 1HD2 LEU A 40 -6.367 -2.989 -6.377 1.00 0.00 H ATOM 726 2HD2 LEU A 40 -6.109 -4.265 -5.163 1.00 0.00 H ATOM 727 3HD2 LEU A 40 -7.699 -3.478 -5.303 1.00 0.00 H ATOM 728 N ARG A 41 -8.215 -3.013 -0.249 1.00 0.00 N ATOM 729 CA ARG A 41 -8.349 -3.647 1.056 1.00 0.00 C ATOM 730 C ARG A 41 -9.754 -4.200 1.258 1.00 0.00 C ATOM 731 O ARG A 41 -9.933 -5.266 1.847 1.00 0.00 O ATOM 732 CB ARG A 41 -8.032 -2.657 2.167 1.00 0.00 C ATOM 733 CG ARG A 41 -6.554 -2.347 2.344 1.00 0.00 C ATOM 734 CD ARG A 41 -6.332 -1.308 3.382 1.00 0.00 C ATOM 735 NE ARG A 41 -4.917 -1.065 3.613 1.00 0.00 N ATOM 736 CZ ARG A 41 -4.427 -0.108 4.425 1.00 0.00 C ATOM 737 NH1 ARG A 41 -5.248 0.686 5.074 1.00 0.00 N ATOM 738 NH2 ARG A 41 -3.121 0.032 4.568 1.00 0.00 N ATOM 739 H ARG A 41 -8.102 -2.010 -0.300 1.00 0.00 H ATOM 740 HA ARG A 41 -7.637 -4.472 1.114 1.00 0.00 H ATOM 741 1HB ARG A 41 -8.545 -1.716 1.972 1.00 0.00 H ATOM 742 2HB ARG A 41 -8.404 -3.043 3.115 1.00 0.00 H ATOM 743 1HG ARG A 41 -6.026 -3.252 2.647 1.00 0.00 H ATOM 744 2HG ARG A 41 -6.142 -1.984 1.402 1.00 0.00 H ATOM 745 1HD ARG A 41 -6.790 -0.372 3.063 1.00 0.00 H ATOM 746 2HD ARG A 41 -6.780 -1.630 4.321 1.00 0.00 H ATOM 747 HE ARG A 41 -4.254 -1.657 3.130 1.00 0.00 H ATOM 748 1HH1 ARG A 41 -6.247 0.579 4.965 1.00 0.00 H ATOM 749 2HH1 ARG A 41 -4.881 1.403 5.683 1.00 0.00 H ATOM 750 1HH2 ARG A 41 -2.489 -0.579 4.068 1.00 0.00 H ATOM 751 2HH2 ARG A 41 -2.754 0.749 5.176 1.00 0.00 H ATOM 752 N ARG A 42 -10.749 -3.469 0.765 1.00 0.00 N ATOM 753 CA ARG A 42 -12.143 -3.856 0.940 1.00 0.00 C ATOM 754 C ARG A 42 -12.554 -4.913 -0.078 1.00 0.00 C ATOM 755 O ARG A 42 -13.329 -5.818 0.231 1.00 0.00 O ATOM 756 CB ARG A 42 -13.055 -2.645 0.806 1.00 0.00 C ATOM 757 CG ARG A 42 -14.539 -2.943 0.956 1.00 0.00 C ATOM 758 CD ARG A 42 -14.873 -3.392 2.332 1.00 0.00 C ATOM 759 NE ARG A 42 -16.279 -3.737 2.463 1.00 0.00 N ATOM 760 CZ ARG A 42 -16.805 -4.938 2.154 1.00 0.00 C ATOM 761 NH1 ARG A 42 -16.030 -5.897 1.697 1.00 0.00 N ATOM 762 NH2 ARG A 42 -18.099 -5.153 2.309 1.00 0.00 N ATOM 763 H ARG A 42 -10.532 -2.623 0.257 1.00 0.00 H ATOM 764 HA ARG A 42 -12.265 -4.270 1.942 1.00 0.00 H ATOM 765 1HB ARG A 42 -12.790 -1.905 1.559 1.00 0.00 H ATOM 766 2HB ARG A 42 -12.908 -2.185 -0.171 1.00 0.00 H ATOM 767 1HG ARG A 42 -15.114 -2.042 0.740 1.00 0.00 H ATOM 768 2HG ARG A 42 -14.824 -3.731 0.259 1.00 0.00 H ATOM 769 1HD ARG A 42 -14.281 -4.273 2.580 1.00 0.00 H ATOM 770 2HD ARG A 42 -14.650 -2.594 3.039 1.00 0.00 H ATOM 771 HE ARG A 42 -16.907 -3.025 2.812 1.00 0.00 H ATOM 772 1HH1 ARG A 42 -15.040 -5.732 1.578 1.00 0.00 H ATOM 773 2HH1 ARG A 42 -16.424 -6.797 1.464 1.00 0.00 H ATOM 774 1HH2 ARG A 42 -18.695 -4.416 2.660 1.00 0.00 H ATOM 775 2HH2 ARG A 42 -18.493 -6.052 2.077 1.00 0.00 H ATOM 776 N ARG A 43 -12.029 -4.792 -1.293 1.00 0.00 N ATOM 777 CA ARG A 43 -12.408 -5.682 -2.383 1.00 0.00 C ATOM 778 C ARG A 43 -12.018 -7.122 -2.077 1.00 0.00 C ATOM 779 O ARG A 43 -11.041 -7.376 -1.373 1.00 0.00 O ATOM 780 OXT ARG A 43 -12.667 -8.028 -2.525 1.00 0.00 O ATOM 781 CB ARG A 43 -11.749 -5.246 -3.684 1.00 0.00 C ATOM 782 CG ARG A 43 -12.116 -6.084 -4.898 1.00 0.00 C ATOM 783 CD ARG A 43 -11.597 -5.485 -6.155 1.00 0.00 C ATOM 784 NE ARG A 43 -10.144 -5.467 -6.188 1.00 0.00 N ATOM 785 CZ ARG A 43 -9.375 -6.481 -6.632 1.00 0.00 C ATOM 786 NH1 ARG A 43 -9.935 -7.584 -7.077 1.00 0.00 N ATOM 787 NH2 ARG A 43 -8.059 -6.366 -6.621 1.00 0.00 N ATOM 788 H ARG A 43 -11.350 -4.063 -1.465 1.00 0.00 H ATOM 789 HA ARG A 43 -13.489 -5.632 -2.511 1.00 0.00 H ATOM 790 1HB ARG A 43 -12.020 -4.214 -3.901 1.00 0.00 H ATOM 791 2HB ARG A 43 -10.665 -5.283 -3.573 1.00 0.00 H ATOM 792 1HG ARG A 43 -11.691 -7.083 -4.794 1.00 0.00 H ATOM 793 2HG ARG A 43 -13.201 -6.157 -4.976 1.00 0.00 H ATOM 794 1HD ARG A 43 -11.950 -6.066 -7.007 1.00 0.00 H ATOM 795 2HD ARG A 43 -11.953 -4.460 -6.243 1.00 0.00 H ATOM 796 HE ARG A 43 -9.676 -4.635 -5.853 1.00 0.00 H ATOM 797 1HH1 ARG A 43 -10.942 -7.671 -7.086 1.00 0.00 H ATOM 798 2HH1 ARG A 43 -9.360 -8.343 -7.410 1.00 0.00 H ATOM 799 1HH2 ARG A 43 -7.628 -5.518 -6.279 1.00 0.00 H ATOM 800 2HH2 ARG A 43 -7.483 -7.125 -6.954 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE start00_0089_0001.pdb label fa_atr fa_rep fa_sol fa_intra_atr_xover4 fa_intra_rep_xover4 fa_intra_sol_xover4 lk_ball lk_ball_iso lk_ball_bridge lk_ball_bridge_uncpl fa_elec fa_intra_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun_dev fa_dun_rot fa_dun_semi p_aa_pp hxl_tors ref rama_prepro gen_bonded total weights 1 0.55 1 1 0.55 1 0.92 -0.38 -0.33 -0.33 1 1 1.25 1 1 1 1 1.25 0.48 0.69 0.76 0.78 0.61 1 1 0.5 1 NA pose -248.639 30.4461 173.026 -27.2363 27.9171 22.4724 84.1886 -98.5238 -0.34118 -2.3086 -62.4902 -16.5579 0 -26.9864 -0.93708 -3.05568 -3.92881 0 2.29657 5.67709 42.9847 49.348 -10.2099 4.58551 -30.7381 3.49026 0 -85.5211 THR:NtermProteinFull_1 -3.47975 0.26088 2.96853 -0.18406 0.12298 0.06949 1.30416 -1.52015 -0.00167 -0.03163 -1.4088 -1.05155 0 0 0 0 0 0 -0.00047 0.00189 0.07258 0 0 2.29596 -1.0874 0 0 -1.66901 GLU_2 -2.74509 0.11662 3.14018 -0.46852 0.30851 1.48003 1.2598 -1.49832 -0.02842 -0.15458 -1.44101 -2.89124 0 0 0 0 0 0 -0.04954 0.0381 0 4.05063 -0.30679 0 -2.7348 -0.23129 0 -2.15571 GLU_3 -3.35531 0.40401 3.66306 -0.32719 0.0721 0.37341 1.62852 -1.70676 -0.02762 -0.14576 -0.73354 -0.54787 0 0 0 0 0 0 -0.00628 0.01327 0 2.9828 0.00039 0 -2.7348 0.00077 0 -0.44681 GLU_4 -4.96035 0.3884 4.80171 -0.21428 0.02822 0.29686 1.86643 -2.31655 -0.01182 -0.09266 -1.31292 -0.58498 0 0 0 0 0 0 -0.04625 0.01115 0 3.03071 -0.25859 0 -2.7348 0.03208 0 -2.07766 PHE_5 -9.27666 1.21891 5.0041 -0.8498 0.51758 0.32874 2.69858 -3.13608 -0 -0 -2.02961 -0.01639 0 0 0 0 0 0 0.13663 0.31938 0 2.69218 -0.55823 0 1.0402 0.31335 0 -1.59712 GLU_6 -5.70626 0.29988 6.90495 -0.44158 0.06354 0.85957 2.71927 -3.04717 -0 -0 -2.75049 -0.43813 0 0 0 0 -0.73459 0 -0.01815 0.03966 0 3.36854 -0.22848 0 -2.7348 0.37866 0 -1.46558 ARG_7 -5.7124 0.27584 7.16951 -1.60431 0.83588 1.46144 2.967 -3.07562 -0.02293 -0.18057 -3.39364 0.25472 0 0 0 0 -0.90576 0 0.06344 0.35821 3.0441 0 -0.10058 0 -1.2888 -0.21473 0 -0.06924 ILE_8 -7.40665 1.02464 3.55725 -0.51636 0.63981 0.10264 2.75119 -2.608 -0 -0 -2.18269 0.03438 0 0 0 0 0 0 -0.01514 0.03643 0.75346 0 -0.39855 0 0.73287 -0.01137 0 -3.50609 ARG_9 -6.63533 0.3592 6.34107 -1.01903 0.26177 0.68259 2.94898 -2.95396 -0.01016 -0.06103 -3.12004 0.11657 0 0 0 0 -0.73459 0 0.08185 0.22333 2.61746 0 -0.1249 0 -1.2888 0.09358 0 -2.22144 GLU_10 -5.80152 0.32538 7.80051 -0.21548 0.02996 0.30385 3.00422 -3.36894 -0.02436 -0.20174 -3.4431 -0.59214 0 0 0 0 -0.90576 0 -0.04074 0.04587 0 2.99982 -0.26962 0 -2.7348 -0.18672 0 -3.27533 GLU_11 -5.216 0.29851 6.29881 -0.63602 0.18877 1.17433 3.1811 -2.92197 -0.00015 -0.00316 -3.19584 -0.67137 0 0 0 0 -0.32405 0 0.10658 0.02788 0 3.44082 -0.2908 0 -2.7348 -0.43695 0 -1.7143 LEU_12 -8.34423 1.1234 5.22302 -1.02095 5.0622 0.52682 3.63248 -3.20528 -0.0222 -0.12572 -1.93929 0.03585 0 0 0 0 0 0 0.05957 0.28168 2.22747 0 -0.23729 0 0.18072 -0.11546 0 3.34277 ARG_13 -3.35454 0.21073 3.85317 -1.55883 0.56478 1.42268 1.37773 -1.86486 -0 -0 -0.77249 -0.8146 0 0 0 0 0 0 0.11743 0.00913 2.93223 0 -0.14695 0 -1.2888 0.44747 0 1.13427 ARG_14 -4.28622 0.19342 5.4512 -0.78163 0.22281 0.5162 1.53142 -2.42646 -0.00385 -0.05687 -1.52692 0.44542 0 0 0 0 -0.32405 0 0.0449 0.21482 1.63511 0 -0.09071 0 -1.2888 0.33186 0 -0.19835 LEU_15 -6.12588 1.00286 4.14486 -0.70322 0.35492 0.26072 1.94313 -2.35639 -0 -0 -0.83241 0.15856 0 0 0 0 0 0 -0.00352 0.20761 0.86786 0 -0.20407 0 0.18072 0.27062 0 -0.83362 ASN_16 -2.2418 0.18144 2.91357 -0.37315 0.08767 0.758 0.96294 -1.35662 -0 -0 -0.53435 -0.87415 0 0 0 0 0 0 -0.01412 0.01909 0 1.65635 -1.02658 0 -0.93687 0.07164 0 -0.70693 ASP_17 -3.98051 0.57401 3.99927 -0.10864 0.02628 0.32492 1.48725 -1.93371 -0.04692 -0.3466 -1.29543 -1.31879 0 0 0 -0.54129 0 0 0.02332 0.03893 0 2.06864 -0.22443 0 -2.3716 0.01284 0 -3.61246 ILE_18 -5.32526 0.58601 2.46282 -0.67319 2.17461 0.14388 0.73358 -1.75531 -0 -0 -2.07785 -0.05289 0 0 0 -0.54129 0 0 0.00942 0.01059 2.30347 0 -0.29777 0 0.73287 0.12189 0 -1.44445 ILE_19 -6.84058 1.18988 1.46552 -0.60071 1.10261 0.13864 1.77911 -1.91496 -0.01515 -0.05415 -0.20777 -0.10266 0 0 0 0 0 0 0.28898 0.01676 1.56907 0 -0.57576 0 0.73287 -0.18663 0 -2.21492 ILE_20 -5.20714 0.59012 1.35668 -0.58692 1.13227 0.16017 0.1738 -1.39826 -0 -0 -0.33336 0.09987 0 0 0 0 0 0 0.26179 0.05879 3.25165 0 -0.78712 0 0.73287 -0.36997 0 -0.86475 VAL_21 -6.52745 1.16233 1.17712 -0.36237 5.59462 0.07717 1.80352 -1.88218 -0.01515 -0.05415 -2.03541 -1.16905 0 0 0 0 0 0 0.59008 0.0917 1.77722 0 -0.53097 0 1.9342 -0.29197 0 1.33926 TRP_22 -5.69904 1.55169 0.56465 -0.7003 0.07464 0.28939 0.34438 -1.18287 -0 -0 0.44726 -0.37006 0 0 0 0 0 0 -0.03886 0.0947 0 2.81818 0.20412 0 1.6906 1.23949 0 1.32796 ARG_23 -5.67188 0.41481 3.04922 -1.08947 1.6749 1.1147 0.92737 -1.67539 -0 -0 -0.24302 -0.21895 0 0 0 0 0 0 -0.05774 0.43725 2.83133 0 -0.21469 0 -1.2888 1.23596 0 1.2256 PHE_24 -10.4211 1.60396 3.28049 -0.61984 0.12886 0.34829 2.58554 -2.84388 -0.00073 -0.00277 -1.45477 0.03986 0 0 0 0 0 0 -0.02526 0.0964 0 2.33385 -0.29582 0 1.0402 0.16412 0 -4.0426 GLU_25 -3.4503 0.51463 1.57263 -0.34525 0.11278 0.47694 0.25009 -0.86975 -0 -0 -0.60499 -0.44712 0 0 0 0 0 0 -0.07811 0.59351 0 2.98205 0.32399 0 -2.7348 0.22945 0 -1.47426 THR_26 -5.23382 0.99347 3.86002 -0.21709 0.1582 0.09041 1.73591 -2.42985 -0.01664 -0.15128 -1.04734 -1.27266 0 0 0 -0.42396 0 0 0.03465 0.03394 0.1037 0 0.17324 2.28954 -1.0874 0.61844 0 -1.78849 GLU_27 -3.51645 0.09027 2.73634 -0.46576 0.26158 1.46325 0.77973 -1.47985 -0.04002 -0.24752 -0.50575 -2.76256 0 0 0 0 0 0 0.11704 0.02288 0 4.1733 -0.31678 0 -2.7348 0.31477 0 -2.11031 ASN_28 -4.30372 0.47453 4.32953 -0.34 0.48237 0.75894 2.08799 -2.21591 -0.04078 -0.27783 -1.66567 -0.45649 0 0 0 -0.98655 0 0 0.17 0.15579 0 1.91504 -0.5849 0 -0.93687 -0.31065 0 -1.74517 VAL_29 -8.33283 2.13612 2.11566 -0.37232 0.34057 0.09383 2.15186 -2.49482 -0 -0 -0.99193 0.0099 0 0 0 0 0 0 0.06171 0.36702 0.93168 0 0.18056 0 1.9342 -0.06782 0 -1.93662 GLU_30 -5.06432 0.40166 4.12106 -0.33679 0.07354 0.40776 1.55608 -2.00015 -0 -0 -0.98736 -0.63697 0 0 0 0 0 0 0.15564 0.00425 0 3.1846 -0.19176 0 -2.7348 -0.02923 0 -2.07677 ARG_31 -5.77521 0.36791 5.29928 -0.94823 0.39709 0.76454 2.1959 -2.56209 -0 -0 -1.5227 0.11854 0 0 0 -0.56259 0 0 0.18774 0.0772 2.54395 0 -0.07502 0 -1.2888 -0.01855 0 -0.80103 ALA_32 -6.24845 1.08734 3.65343 -0.022 0 0 2.84675 -2.69139 -0.01262 -0.12058 -1.44737 -0.36276 0 0 0 0 0 0 -0.05122 0 0 0 -0.30714 0 1.8394 -0.10028 0 -1.93687 LEU_33 -10.5376 2.28899 3.42349 -0.48845 0.30725 0.11604 3.26716 -3.16571 -0 -0 -2.1428 0.20451 0 0 0 0 0 0 0.16033 0.42888 0.4146 0 -0.25867 0 0.18072 -0.10674 0 -5.90796 ARG_34 -6.04041 0.2937 5.4681 -1.35177 1.06536 0.92863 2.16881 -2.76436 -0 -0 -1.22593 0.29102 0 0 0 0 0 0 0.25516 0.38463 3.11646 0 -0.05057 0 -1.2888 0.02488 0 1.27491 LEU_35 -6.88355 0.42602 5.24658 -0.51008 0.5138 0.12375 2.36307 -2.78833 -0 -0 -2.39146 0.24332 0 0 0 0 0 0 0.13669 0.07868 0.33466 0 -0.31191 0 0.18072 -0.06891 0 -3.30693 LEU_36 -9.80565 2.03431 4.35944 -0.72015 0.49819 0.29976 2.9797 -3.18663 -0 -0 -2.22579 0.11832 0 0 0 0 0 0 -0.05167 0.06619 1.08045 0 -0.26404 0 0.18072 -0.04601 0 -4.68285 ILE_37 -6.89386 0.7277 5.65165 -0.50764 0.55782 0.09774 2.68057 -2.97826 -0 -0 -1.77925 0.18366 0 0 0 0 0 0 -0.0565 0.14817 0.44577 0 -0.44417 0 0.73287 0.46658 0 -0.96715 GLU_38 -3.99275 0.11087 4.55682 -0.21578 0.02595 0.29449 1.89936 -2.14554 -0 -0 -1.3899 -0.58717 0 0 0 0 0 0 -0.05169 0.05595 0 3.02823 -0.31763 0 -2.7348 0.17011 0 -1.29349 TRP_39 -10.3508 1.59727 5.3107 -1.14471 0.04709 0.5088 3.21395 -3.15075 -0 -0 -2.65539 -0.39695 0 0 0 0 0 0 -0.02217 0.04062 0 2.62229 -0.24536 0 1.6906 -0.06679 0 -3.00162 LEU_40 -7.23866 0.84309 3.28135 -0.52067 0.85731 0.12756 1.92322 -2.37101 -0 -0 -0.46437 0.27232 0 0 0 0 0 0 -0.04856 0.07527 0.32301 0 -0.29958 0 0.18072 0.11083 0 -2.94819 ARG_41 -3.96652 0.29432 4.0654 -0.43978 0.04939 0.21713 1.39852 -1.93032 -0 -0 -0.64586 0.34948 0 0 0 0 0 0 -0.04923 0.25405 2.03734 0 -0.11781 0 -1.2888 -0.161 0 0.06629 ARG_42 -2.28928 0.08288 3.16842 -1.61151 0.65283 1.56384 1.24769 -1.39267 -0 -0 -0.73758 -1.12412 0 0 0 0 0 0 -0.04115 0.0159 3.37581 0 -0.1382 0 -1.2888 -0.11792 0 1.36614 ARG:CtermProteinFull_43 -4.39424 0.32412 4.21471 -1.02247 0.24572 0.92449 1.83069 -1.95672 -0 -0 -0.2413 0.22745 0 0 0 0 0 0 0 0.18155 2.39425 0 0 0 -1.2888 -0.02017 0 1.41929 #END_POSE_ENERGIES_TABLE start00_0089_0001.pdb score_per_res -2.05006 total_score -88.1527
HEEH_KT_rd6_5990.pdb
ATOM 1 N THR A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA THR A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C THR A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O THR A 1 1.956 2.117 -1.013 1.00 0.00 O ATOM 5 CB THR A 1 2.012 -0.770 -1.213 1.00 0.00 C ATOM 6 OG1 THR A 1 1.562 -2.130 -1.166 1.00 0.00 O ATOM 7 CG2 THR A 1 3.533 -0.743 -1.212 1.00 0.00 C ATOM 8 1H THR A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 9 2H THR A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 10 3H THR A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 11 HA THR A 1 1.804 -0.509 0.900 1.00 0.00 H ATOM 12 HB THR A 1 1.647 -0.312 -2.132 1.00 0.00 H ATOM 13 HG1 THR A 1 1.695 -2.540 -2.024 1.00 0.00 H ATOM 14 1HG2 THR A 1 3.907 -1.292 -2.076 1.00 0.00 H ATOM 15 2HG2 THR A 1 3.879 0.289 -1.260 1.00 0.00 H ATOM 16 3HG2 THR A 1 3.904 -1.208 -0.300 1.00 0.00 H ATOM 17 N LEU A 2 2.538 1.844 1.143 1.00 0.00 N ATOM 18 CA LEU A 2 3.038 3.205 1.297 1.00 0.00 C ATOM 19 C LEU A 2 4.271 3.440 0.435 1.00 0.00 C ATOM 20 O LEU A 2 4.526 4.560 -0.010 1.00 0.00 O ATOM 21 CB LEU A 2 3.374 3.482 2.767 1.00 0.00 C ATOM 22 CG LEU A 2 4.526 2.656 3.354 1.00 0.00 C ATOM 23 CD1 LEU A 2 5.829 3.432 3.218 1.00 0.00 C ATOM 24 CD2 LEU A 2 4.230 2.335 4.811 1.00 0.00 C ATOM 25 H LEU A 2 2.596 1.207 1.924 1.00 0.00 H ATOM 26 HA LEU A 2 2.255 3.898 0.985 1.00 0.00 H ATOM 27 1HB LEU A 2 3.635 4.534 2.871 1.00 0.00 H ATOM 28 2HB LEU A 2 2.487 3.288 3.370 1.00 0.00 H ATOM 29 HG LEU A 2 4.631 1.727 2.792 1.00 0.00 H ATOM 30 1HD1 LEU A 2 6.647 2.844 3.635 1.00 0.00 H ATOM 31 2HD1 LEU A 2 6.026 3.631 2.164 1.00 0.00 H ATOM 32 3HD1 LEU A 2 5.749 4.375 3.757 1.00 0.00 H ATOM 33 1HD2 LEU A 2 5.048 1.747 5.228 1.00 0.00 H ATOM 34 2HD2 LEU A 2 4.126 3.263 5.374 1.00 0.00 H ATOM 35 3HD2 LEU A 2 3.303 1.765 4.877 1.00 0.00 H ATOM 36 N LYS A 3 5.035 2.378 0.200 1.00 0.00 N ATOM 37 CA LYS A 3 6.244 2.468 -0.608 1.00 0.00 C ATOM 38 C LYS A 3 5.943 3.035 -1.990 1.00 0.00 C ATOM 39 O LYS A 3 6.621 3.949 -2.457 1.00 0.00 O ATOM 40 CB LYS A 3 6.906 1.095 -0.736 1.00 0.00 C ATOM 41 CG LYS A 3 8.095 1.055 -1.687 1.00 0.00 C ATOM 42 CD LYS A 3 8.793 -0.296 -1.642 1.00 0.00 C ATOM 43 CE LYS A 3 9.969 -0.344 -2.607 1.00 0.00 C ATOM 44 NZ LYS A 3 10.655 -1.665 -2.583 1.00 0.00 N ATOM 45 H LYS A 3 4.770 1.486 0.593 1.00 0.00 H ATOM 46 HA LYS A 3 6.949 3.130 -0.105 1.00 0.00 H ATOM 47 1HB LYS A 3 7.251 0.764 0.245 1.00 0.00 H ATOM 48 2HB LYS A 3 6.172 0.368 -1.086 1.00 0.00 H ATOM 49 1HG LYS A 3 7.753 1.245 -2.705 1.00 0.00 H ATOM 50 2HG LYS A 3 8.807 1.832 -1.411 1.00 0.00 H ATOM 51 1HD LYS A 3 9.155 -0.486 -0.631 1.00 0.00 H ATOM 52 2HD LYS A 3 8.085 -1.080 -1.909 1.00 0.00 H ATOM 53 1HE LYS A 3 9.617 -0.149 -3.619 1.00 0.00 H ATOM 54 2HE LYS A 3 10.689 0.430 -2.342 1.00 0.00 H ATOM 55 1HZ LYS A 3 11.427 -1.655 -3.235 1.00 0.00 H ATOM 56 2HZ LYS A 3 11.002 -1.848 -1.652 1.00 0.00 H ATOM 57 3HZ LYS A 3 10.001 -2.388 -2.847 1.00 0.00 H ATOM 58 N GLU A 4 4.921 2.487 -2.639 1.00 0.00 N ATOM 59 CA GLU A 4 4.565 2.895 -3.992 1.00 0.00 C ATOM 60 C GLU A 4 3.934 4.282 -4.000 1.00 0.00 C ATOM 61 O GLU A 4 4.192 5.086 -4.896 1.00 0.00 O ATOM 62 CB GLU A 4 3.603 1.883 -4.619 1.00 0.00 C ATOM 63 CG GLU A 4 4.225 0.525 -4.916 1.00 0.00 C ATOM 64 CD GLU A 4 3.238 -0.461 -5.475 1.00 0.00 C ATOM 65 OE1 GLU A 4 2.064 -0.177 -5.449 1.00 0.00 O ATOM 66 OE2 GLU A 4 3.658 -1.500 -5.928 1.00 0.00 O ATOM 67 H GLU A 4 4.377 1.768 -2.182 1.00 0.00 H ATOM 68 HA GLU A 4 5.472 2.920 -4.596 1.00 0.00 H ATOM 69 1HB GLU A 4 2.756 1.724 -3.952 1.00 0.00 H ATOM 70 2HB GLU A 4 3.213 2.283 -5.555 1.00 0.00 H ATOM 71 1HG GLU A 4 5.035 0.657 -5.633 1.00 0.00 H ATOM 72 2HG GLU A 4 4.652 0.125 -3.998 1.00 0.00 H ATOM 73 N LEU A 5 3.105 4.555 -2.998 1.00 0.00 N ATOM 74 CA LEU A 5 2.399 5.828 -2.914 1.00 0.00 C ATOM 75 C LEU A 5 3.375 6.991 -2.792 1.00 0.00 C ATOM 76 O LEU A 5 3.250 7.995 -3.494 1.00 0.00 O ATOM 77 CB LEU A 5 1.444 5.826 -1.713 1.00 0.00 C ATOM 78 CG LEU A 5 0.214 4.919 -1.843 1.00 0.00 C ATOM 79 CD1 LEU A 5 -0.488 4.818 -0.496 1.00 0.00 C ATOM 80 CD2 LEU A 5 -0.720 5.478 -2.906 1.00 0.00 C ATOM 81 H LEU A 5 2.960 3.862 -2.277 1.00 0.00 H ATOM 82 HA LEU A 5 1.811 5.958 -3.823 1.00 0.00 H ATOM 83 1HB LEU A 5 1.997 5.510 -0.830 1.00 0.00 H ATOM 84 2HB LEU A 5 1.089 6.844 -1.550 1.00 0.00 H ATOM 85 HG LEU A 5 0.531 3.915 -2.130 1.00 0.00 H ATOM 86 1HD1 LEU A 5 -1.362 4.173 -0.588 1.00 0.00 H ATOM 87 2HD1 LEU A 5 0.196 4.398 0.241 1.00 0.00 H ATOM 88 3HD1 LEU A 5 -0.802 5.811 -0.175 1.00 0.00 H ATOM 89 1HD2 LEU A 5 -1.593 4.832 -2.999 1.00 0.00 H ATOM 90 2HD2 LEU A 5 -1.038 6.480 -2.620 1.00 0.00 H ATOM 91 3HD2 LEU A 5 -0.198 5.522 -3.862 1.00 0.00 H ATOM 92 N ILE A 6 4.346 6.851 -1.897 1.00 0.00 N ATOM 93 CA ILE A 6 5.317 7.910 -1.648 1.00 0.00 C ATOM 94 C ILE A 6 6.214 8.132 -2.859 1.00 0.00 C ATOM 95 O ILE A 6 6.499 9.269 -3.232 1.00 0.00 O ATOM 96 CB ILE A 6 6.185 7.581 -0.419 1.00 0.00 C ATOM 97 CG1 ILE A 6 5.339 7.617 0.857 1.00 0.00 C ATOM 98 CG2 ILE A 6 7.350 8.553 -0.316 1.00 0.00 C ATOM 99 CD1 ILE A 6 6.046 7.065 2.074 1.00 0.00 C ATOM 100 H ILE A 6 4.415 5.988 -1.376 1.00 0.00 H ATOM 101 HA ILE A 6 4.776 8.834 -1.440 1.00 0.00 H ATOM 102 HB ILE A 6 6.575 6.568 -0.510 1.00 0.00 H ATOM 103 1HG1 ILE A 6 5.044 8.644 1.069 1.00 0.00 H ATOM 104 2HG1 ILE A 6 4.426 7.041 0.704 1.00 0.00 H ATOM 105 1HG2 ILE A 6 7.953 8.306 0.558 1.00 0.00 H ATOM 106 2HG2 ILE A 6 7.965 8.480 -1.212 1.00 0.00 H ATOM 107 3HG2 ILE A 6 6.969 9.569 -0.219 1.00 0.00 H ATOM 108 1HD1 ILE A 6 5.383 7.124 2.937 1.00 0.00 H ATOM 109 2HD1 ILE A 6 6.319 6.024 1.895 1.00 0.00 H ATOM 110 3HD1 ILE A 6 6.945 7.648 2.267 1.00 0.00 H ATOM 111 N HIS A 7 6.657 7.038 -3.469 1.00 0.00 N ATOM 112 CA HIS A 7 7.512 7.110 -4.647 1.00 0.00 C ATOM 113 C HIS A 7 6.882 7.973 -5.733 1.00 0.00 C ATOM 114 O HIS A 7 7.498 8.920 -6.222 1.00 0.00 O ATOM 115 CB HIS A 7 7.793 5.709 -5.198 1.00 0.00 C ATOM 116 CG HIS A 7 8.454 5.712 -6.542 1.00 0.00 C ATOM 117 ND1 HIS A 7 9.804 5.942 -6.706 1.00 0.00 N ATOM 118 CD2 HIS A 7 7.951 5.515 -7.783 1.00 0.00 C ATOM 119 CE1 HIS A 7 10.102 5.885 -7.993 1.00 0.00 C ATOM 120 NE2 HIS A 7 8.996 5.628 -8.666 1.00 0.00 N ATOM 121 H HIS A 7 6.394 6.132 -3.107 1.00 0.00 H ATOM 122 HA HIS A 7 8.465 7.556 -4.356 1.00 0.00 H ATOM 123 1HB HIS A 7 8.436 5.166 -4.503 1.00 0.00 H ATOM 124 2HB HIS A 7 6.858 5.155 -5.279 1.00 0.00 H ATOM 125 HD1 HIS A 7 10.478 6.051 -5.976 1.00 0.00 H ATOM 126 HD2 HIS A 7 6.946 5.303 -8.150 1.00 0.00 H ATOM 127 HE1 HIS A 7 11.126 6.040 -8.332 1.00 0.00 H ATOM 128 N GLU A 8 5.651 7.640 -6.106 1.00 0.00 N ATOM 129 CA GLU A 8 4.970 8.323 -7.199 1.00 0.00 C ATOM 130 C GLU A 8 4.691 9.779 -6.849 1.00 0.00 C ATOM 131 O GLU A 8 4.780 10.660 -7.704 1.00 0.00 O ATOM 132 CB GLU A 8 3.660 7.610 -7.541 1.00 0.00 C ATOM 133 CG GLU A 8 3.838 6.263 -8.228 1.00 0.00 C ATOM 134 CD GLU A 8 2.533 5.637 -8.634 1.00 0.00 C ATOM 135 OE1 GLU A 8 1.509 6.119 -8.215 1.00 0.00 O ATOM 136 OE2 GLU A 8 2.561 4.675 -9.366 1.00 0.00 O ATOM 137 H GLU A 8 5.175 6.894 -5.619 1.00 0.00 H ATOM 138 HA GLU A 8 5.613 8.292 -8.079 1.00 0.00 H ATOM 139 1HB GLU A 8 3.086 7.447 -6.628 1.00 0.00 H ATOM 140 2HB GLU A 8 3.061 8.243 -8.195 1.00 0.00 H ATOM 141 1HG GLU A 8 4.455 6.399 -9.116 1.00 0.00 H ATOM 142 2HG GLU A 8 4.364 5.590 -7.553 1.00 0.00 H ATOM 143 N ILE A 9 4.353 10.024 -5.588 1.00 0.00 N ATOM 144 CA ILE A 9 4.031 11.371 -5.130 1.00 0.00 C ATOM 145 C ILE A 9 5.210 12.315 -5.327 1.00 0.00 C ATOM 146 O ILE A 9 5.039 13.454 -5.765 1.00 0.00 O ATOM 147 CB ILE A 9 3.622 11.364 -3.645 1.00 0.00 C ATOM 148 CG1 ILE A 9 2.243 10.722 -3.475 1.00 0.00 C ATOM 149 CG2 ILE A 9 3.628 12.778 -3.085 1.00 0.00 C ATOM 150 CD1 ILE A 9 1.095 11.634 -3.844 1.00 0.00 C ATOM 151 H ILE A 9 4.316 9.259 -4.931 1.00 0.00 H ATOM 152 HA ILE A 9 3.185 11.742 -5.709 1.00 0.00 H ATOM 153 HB ILE A 9 4.325 10.755 -3.077 1.00 0.00 H ATOM 154 1HG1 ILE A 9 2.179 9.827 -4.092 1.00 0.00 H ATOM 155 2HG1 ILE A 9 2.111 10.413 -2.438 1.00 0.00 H ATOM 156 1HG2 ILE A 9 3.336 12.754 -2.035 1.00 0.00 H ATOM 157 2HG2 ILE A 9 4.628 13.200 -3.174 1.00 0.00 H ATOM 158 3HG2 ILE A 9 2.923 13.394 -3.644 1.00 0.00 H ATOM 159 1HD1 ILE A 9 0.151 11.109 -3.697 1.00 0.00 H ATOM 160 2HD1 ILE A 9 1.119 12.523 -3.213 1.00 0.00 H ATOM 161 3HD1 ILE A 9 1.186 11.929 -4.889 1.00 0.00 H ATOM 162 N LEU A 10 6.406 11.837 -5.003 1.00 0.00 N ATOM 163 CA LEU A 10 7.620 12.627 -5.174 1.00 0.00 C ATOM 164 C LEU A 10 7.849 12.973 -6.639 1.00 0.00 C ATOM 165 O LEU A 10 8.241 14.092 -6.969 1.00 0.00 O ATOM 166 CB LEU A 10 8.832 11.862 -4.627 1.00 0.00 C ATOM 167 CG LEU A 10 8.938 11.790 -3.098 1.00 0.00 C ATOM 168 CD1 LEU A 10 10.028 10.800 -2.711 1.00 0.00 C ATOM 169 CD2 LEU A 10 9.235 13.175 -2.544 1.00 0.00 C ATOM 170 H LEU A 10 6.477 10.902 -4.627 1.00 0.00 H ATOM 171 HA LEU A 10 7.512 13.553 -4.609 1.00 0.00 H ATOM 172 1HB LEU A 10 8.798 10.842 -5.005 1.00 0.00 H ATOM 173 2HB LEU A 10 9.739 12.337 -5.000 1.00 0.00 H ATOM 174 HG LEU A 10 7.996 11.428 -2.685 1.00 0.00 H ATOM 175 1HD1 LEU A 10 10.103 10.748 -1.625 1.00 0.00 H ATOM 176 2HD1 LEU A 10 9.780 9.814 -3.104 1.00 0.00 H ATOM 177 3HD1 LEU A 10 10.981 11.127 -3.125 1.00 0.00 H ATOM 178 1HD2 LEU A 10 9.310 13.124 -1.457 1.00 0.00 H ATOM 179 2HD2 LEU A 10 10.177 13.538 -2.955 1.00 0.00 H ATOM 180 3HD2 LEU A 10 8.432 13.858 -2.820 1.00 0.00 H ATOM 181 N ARG A 11 7.604 12.006 -7.516 1.00 0.00 N ATOM 182 CA ARG A 11 7.750 12.216 -8.952 1.00 0.00 C ATOM 183 C ARG A 11 6.670 13.149 -9.484 1.00 0.00 C ATOM 184 O ARG A 11 6.922 13.964 -10.371 1.00 0.00 O ATOM 185 CB ARG A 11 7.684 10.891 -9.697 1.00 0.00 C ATOM 186 CG ARG A 11 8.891 9.987 -9.502 1.00 0.00 C ATOM 187 CD ARG A 11 8.649 8.624 -10.041 1.00 0.00 C ATOM 188 NE ARG A 11 8.360 8.649 -11.466 1.00 0.00 N ATOM 189 CZ ARG A 11 8.148 7.554 -12.223 1.00 0.00 C ATOM 190 NH1 ARG A 11 8.198 6.359 -11.678 1.00 0.00 N ATOM 191 NH2 ARG A 11 7.892 7.682 -13.513 1.00 0.00 N ATOM 192 H ARG A 11 7.308 11.100 -7.179 1.00 0.00 H ATOM 193 HA ARG A 11 8.725 12.668 -9.137 1.00 0.00 H ATOM 194 1HB ARG A 11 6.803 10.338 -9.378 1.00 0.00 H ATOM 195 2HB ARG A 11 7.583 11.080 -10.766 1.00 0.00 H ATOM 196 1HG ARG A 11 9.752 10.412 -10.018 1.00 0.00 H ATOM 197 2HG ARG A 11 9.112 9.900 -8.437 1.00 0.00 H ATOM 198 1HD ARG A 11 9.533 8.008 -9.884 1.00 0.00 H ATOM 199 2HD ARG A 11 7.799 8.176 -9.529 1.00 0.00 H ATOM 200 HE ARG A 11 8.314 9.551 -11.921 1.00 0.00 H ATOM 201 1HH1 ARG A 11 8.394 6.261 -10.692 1.00 0.00 H ATOM 202 2HH1 ARG A 11 8.039 5.539 -12.245 1.00 0.00 H ATOM 203 1HH2 ARG A 11 7.854 8.601 -13.932 1.00 0.00 H ATOM 204 2HH2 ARG A 11 7.734 6.862 -14.080 1.00 0.00 H ATOM 205 N ILE A 12 5.466 13.024 -8.936 1.00 0.00 N ATOM 206 CA ILE A 12 4.358 13.892 -9.318 1.00 0.00 C ATOM 207 C ILE A 12 4.630 15.338 -8.926 1.00 0.00 C ATOM 208 O ILE A 12 4.417 16.258 -9.718 1.00 0.00 O ATOM 209 CB ILE A 12 3.043 13.423 -8.669 1.00 0.00 C ATOM 210 CG1 ILE A 12 2.585 12.100 -9.287 1.00 0.00 C ATOM 211 CG2 ILE A 12 1.966 14.486 -8.821 1.00 0.00 C ATOM 212 CD1 ILE A 12 1.537 11.375 -8.473 1.00 0.00 C ATOM 213 H ILE A 12 5.314 12.311 -8.238 1.00 0.00 H ATOM 214 HA ILE A 12 4.234 13.840 -10.401 1.00 0.00 H ATOM 215 HB ILE A 12 3.208 13.235 -7.609 1.00 0.00 H ATOM 216 1HG1 ILE A 12 2.177 12.284 -10.281 1.00 0.00 H ATOM 217 2HG1 ILE A 12 3.442 11.437 -9.405 1.00 0.00 H ATOM 218 1HG2 ILE A 12 1.043 14.138 -8.357 1.00 0.00 H ATOM 219 2HG2 ILE A 12 2.291 15.405 -8.335 1.00 0.00 H ATOM 220 3HG2 ILE A 12 1.790 14.678 -9.879 1.00 0.00 H ATOM 221 1HD1 ILE A 12 1.264 10.447 -8.974 1.00 0.00 H ATOM 222 2HD1 ILE A 12 1.938 11.149 -7.484 1.00 0.00 H ATOM 223 3HD1 ILE A 12 0.655 12.006 -8.371 1.00 0.00 H ATOM 224 N GLY A 13 5.104 15.535 -7.701 1.00 0.00 N ATOM 225 CA GLY A 13 5.392 16.872 -7.195 1.00 0.00 C ATOM 226 C GLY A 13 4.251 17.392 -6.331 1.00 0.00 C ATOM 227 O GLY A 13 3.995 18.595 -6.281 1.00 0.00 O ATOM 228 H GLY A 13 5.268 14.737 -7.103 1.00 0.00 H ATOM 229 1HA GLY A 13 6.313 16.850 -6.612 1.00 0.00 H ATOM 230 2HA GLY A 13 5.557 17.549 -8.032 1.00 0.00 H ATOM 231 N THR A 14 3.567 16.479 -5.650 1.00 0.00 N ATOM 232 CA THR A 14 2.436 16.841 -4.804 1.00 0.00 C ATOM 233 C THR A 14 2.645 16.365 -3.372 1.00 0.00 C ATOM 234 O THR A 14 3.715 15.865 -3.024 1.00 0.00 O ATOM 235 CB THR A 14 1.122 16.259 -5.356 1.00 0.00 C ATOM 236 OG1 THR A 14 0.012 16.814 -4.639 1.00 0.00 O ATOM 237 CG2 THR A 14 1.107 14.744 -5.213 1.00 0.00 C ATOM 238 H THR A 14 3.838 15.508 -5.721 1.00 0.00 H ATOM 239 HA THR A 14 2.340 17.927 -4.801 1.00 0.00 H ATOM 240 HB THR A 14 1.023 16.519 -6.410 1.00 0.00 H ATOM 241 HG1 THR A 14 -0.776 16.769 -5.186 1.00 0.00 H ATOM 242 1HG2 THR A 14 0.172 14.350 -5.609 1.00 0.00 H ATOM 243 2HG2 THR A 14 1.944 14.318 -5.767 1.00 0.00 H ATOM 244 3HG2 THR A 14 1.196 14.478 -4.160 1.00 0.00 H ATOM 245 N THR A 15 1.617 16.522 -2.546 1.00 0.00 N ATOM 246 CA THR A 15 1.741 16.280 -1.113 1.00 0.00 C ATOM 247 C THR A 15 1.066 14.974 -0.714 1.00 0.00 C ATOM 248 O THR A 15 -0.027 14.659 -1.186 1.00 0.00 O ATOM 249 CB THR A 15 1.141 17.443 -0.301 1.00 0.00 C ATOM 250 OG1 THR A 15 1.797 18.667 -0.656 1.00 0.00 O ATOM 251 CG2 THR A 15 1.311 17.195 1.190 1.00 0.00 C ATOM 252 H THR A 15 0.726 16.817 -2.919 1.00 0.00 H ATOM 253 HA THR A 15 2.800 16.216 -0.863 1.00 0.00 H ATOM 254 HB THR A 15 0.079 17.536 -0.529 1.00 0.00 H ATOM 255 HG1 THR A 15 1.436 18.994 -1.484 1.00 0.00 H ATOM 256 1HG2 THR A 15 0.880 18.026 1.749 1.00 0.00 H ATOM 257 2HG2 THR A 15 0.803 16.270 1.466 1.00 0.00 H ATOM 258 3HG2 THR A 15 2.371 17.110 1.426 1.00 0.00 H ATOM 259 N PHE A 16 1.724 14.216 0.157 1.00 0.00 N ATOM 260 CA PHE A 16 1.184 12.946 0.628 1.00 0.00 C ATOM 261 C PHE A 16 1.424 12.765 2.120 1.00 0.00 C ATOM 262 O PHE A 16 2.505 13.066 2.627 1.00 0.00 O ATOM 263 CB PHE A 16 1.812 11.781 -0.139 1.00 0.00 C ATOM 264 CG PHE A 16 1.367 10.429 0.341 1.00 0.00 C ATOM 265 CD1 PHE A 16 0.120 9.929 -0.007 1.00 0.00 C ATOM 266 CD2 PHE A 16 2.192 9.655 1.142 1.00 0.00 C ATOM 267 CE1 PHE A 16 -0.290 8.686 0.434 1.00 0.00 C ATOM 268 CE2 PHE A 16 1.785 8.411 1.584 1.00 0.00 C ATOM 269 CZ PHE A 16 0.541 7.926 1.229 1.00 0.00 C ATOM 270 H PHE A 16 2.620 14.528 0.502 1.00 0.00 H ATOM 271 HA PHE A 16 0.110 12.937 0.443 1.00 0.00 H ATOM 272 1HB PHE A 16 1.563 11.865 -1.196 1.00 0.00 H ATOM 273 2HB PHE A 16 2.897 11.832 -0.054 1.00 0.00 H ATOM 274 HD1 PHE A 16 -0.537 10.530 -0.637 1.00 0.00 H ATOM 275 HD2 PHE A 16 3.174 10.038 1.422 1.00 0.00 H ATOM 276 HE1 PHE A 16 -1.272 8.306 0.153 1.00 0.00 H ATOM 277 HE2 PHE A 16 2.443 7.812 2.212 1.00 0.00 H ATOM 278 HZ PHE A 16 0.218 6.947 1.578 1.00 0.00 H ATOM 279 N SER A 17 0.410 12.271 2.823 1.00 0.00 N ATOM 280 CA SER A 17 0.526 11.998 4.250 1.00 0.00 C ATOM 281 C SER A 17 -0.000 10.609 4.590 1.00 0.00 C ATOM 282 O SER A 17 -0.902 10.097 3.926 1.00 0.00 O ATOM 283 CB SER A 17 -0.230 13.045 5.044 1.00 0.00 C ATOM 284 OG SER A 17 -1.600 13.004 4.752 1.00 0.00 O ATOM 285 H SER A 17 -0.465 12.080 2.355 1.00 0.00 H ATOM 286 HA SER A 17 1.580 12.050 4.527 1.00 0.00 H ATOM 287 1HB SER A 17 -0.078 12.874 6.109 1.00 0.00 H ATOM 288 2HB SER A 17 0.165 14.033 4.812 1.00 0.00 H ATOM 289 HG SER A 17 -2.009 13.670 5.309 1.00 0.00 H ATOM 290 N LEU A 18 0.568 10.005 5.628 1.00 0.00 N ATOM 291 CA LEU A 18 0.165 8.669 6.051 1.00 0.00 C ATOM 292 C LEU A 18 0.351 8.487 7.552 1.00 0.00 C ATOM 293 O LEU A 18 1.339 8.948 8.125 1.00 0.00 O ATOM 294 CB LEU A 18 0.975 7.607 5.297 1.00 0.00 C ATOM 295 CG LEU A 18 2.473 7.556 5.624 1.00 0.00 C ATOM 296 CD1 LEU A 18 3.073 6.276 5.059 1.00 0.00 C ATOM 297 CD2 LEU A 18 3.160 8.784 5.045 1.00 0.00 C ATOM 298 H LEU A 18 1.298 10.483 6.137 1.00 0.00 H ATOM 299 HA LEU A 18 -0.890 8.534 5.811 1.00 0.00 H ATOM 300 1HB LEU A 18 0.554 6.627 5.519 1.00 0.00 H ATOM 301 2HB LEU A 18 0.875 7.788 4.227 1.00 0.00 H ATOM 302 HG LEU A 18 2.609 7.540 6.705 1.00 0.00 H ATOM 303 1HD1 LEU A 18 4.138 6.240 5.292 1.00 0.00 H ATOM 304 2HD1 LEU A 18 2.576 5.414 5.505 1.00 0.00 H ATOM 305 3HD1 LEU A 18 2.937 6.256 3.979 1.00 0.00 H ATOM 306 1HD2 LEU A 18 4.225 8.749 5.278 1.00 0.00 H ATOM 307 2HD2 LEU A 18 3.026 8.801 3.963 1.00 0.00 H ATOM 308 3HD2 LEU A 18 2.724 9.684 5.479 1.00 0.00 H ATOM 309 N ILE A 19 -0.602 7.810 8.184 1.00 0.00 N ATOM 310 CA ILE A 19 -0.521 7.525 9.611 1.00 0.00 C ATOM 311 C ILE A 19 -0.276 6.043 9.864 1.00 0.00 C ATOM 312 O ILE A 19 -1.047 5.193 9.422 1.00 0.00 O ATOM 313 CB ILE A 19 -1.808 7.965 10.332 1.00 0.00 C ATOM 314 CG1 ILE A 19 -2.192 9.388 9.920 1.00 0.00 C ATOM 315 CG2 ILE A 19 -1.631 7.872 11.840 1.00 0.00 C ATOM 316 CD1 ILE A 19 -1.141 10.424 10.251 1.00 0.00 C ATOM 317 H ILE A 19 -1.403 7.485 7.661 1.00 0.00 H ATOM 318 HA ILE A 19 0.309 8.094 10.031 1.00 0.00 H ATOM 319 HB ILE A 19 -2.632 7.317 10.032 1.00 0.00 H ATOM 320 1HG1 ILE A 19 -2.375 9.420 8.847 1.00 0.00 H ATOM 321 2HG1 ILE A 19 -3.119 9.674 10.418 1.00 0.00 H ATOM 322 1HG2 ILE A 19 -2.550 8.187 12.334 1.00 0.00 H ATOM 323 2HG2 ILE A 19 -1.404 6.844 12.117 1.00 0.00 H ATOM 324 3HG2 ILE A 19 -0.812 8.521 12.150 1.00 0.00 H ATOM 325 1HD1 ILE A 19 -1.485 11.407 9.930 1.00 0.00 H ATOM 326 2HD1 ILE A 19 -0.967 10.434 11.328 1.00 0.00 H ATOM 327 3HD1 ILE A 19 -0.214 10.178 9.736 1.00 0.00 H ATOM 328 N VAL A 20 0.803 5.741 10.579 1.00 0.00 N ATOM 329 CA VAL A 20 1.119 4.365 10.943 1.00 0.00 C ATOM 330 C VAL A 20 1.368 4.235 12.440 1.00 0.00 C ATOM 331 O VAL A 20 2.302 4.832 12.978 1.00 0.00 O ATOM 332 CB VAL A 20 2.363 3.882 10.174 1.00 0.00 C ATOM 333 CG1 VAL A 20 3.503 4.878 10.325 1.00 0.00 C ATOM 334 CG2 VAL A 20 2.779 2.507 10.674 1.00 0.00 C ATOM 335 H VAL A 20 1.419 6.483 10.877 1.00 0.00 H ATOM 336 HA VAL A 20 0.272 3.732 10.674 1.00 0.00 H ATOM 337 HB VAL A 20 2.124 3.826 9.112 1.00 0.00 H ATOM 338 1HG1 VAL A 20 4.374 4.521 9.776 1.00 0.00 H ATOM 339 2HG1 VAL A 20 3.196 5.846 9.928 1.00 0.00 H ATOM 340 3HG1 VAL A 20 3.758 4.982 11.380 1.00 0.00 H ATOM 341 1HG2 VAL A 20 3.659 2.171 10.126 1.00 0.00 H ATOM 342 2HG2 VAL A 20 3.013 2.562 11.737 1.00 0.00 H ATOM 343 3HG2 VAL A 20 1.963 1.801 10.517 1.00 0.00 H ATOM 344 N ASN A 21 0.529 3.451 13.109 1.00 0.00 N ATOM 345 CA ASN A 21 0.587 3.329 14.560 1.00 0.00 C ATOM 346 C ASN A 21 0.463 4.690 15.233 1.00 0.00 C ATOM 347 O ASN A 21 1.139 4.968 16.224 1.00 0.00 O ATOM 348 CB ASN A 21 1.869 2.637 14.986 1.00 0.00 C ATOM 349 CG ASN A 21 2.007 1.261 14.396 1.00 0.00 C ATOM 350 OD1 ASN A 21 1.019 0.530 14.257 1.00 0.00 O ATOM 351 ND2 ASN A 21 3.213 0.894 14.047 1.00 0.00 N ATOM 352 H ASN A 21 -0.167 2.928 12.598 1.00 0.00 H ATOM 353 HA ASN A 21 -0.260 2.727 14.891 1.00 0.00 H ATOM 354 1HB ASN A 21 2.726 3.239 14.681 1.00 0.00 H ATOM 355 2HB ASN A 21 1.896 2.558 16.073 1.00 0.00 H ATOM 356 1HD2 ASN A 21 3.365 -0.011 13.648 1.00 0.00 H ATOM 357 2HD2 ASN A 21 3.983 1.518 14.177 1.00 0.00 H ATOM 358 N LEU A 22 -0.406 5.536 14.689 1.00 0.00 N ATOM 359 CA LEU A 22 -0.642 6.859 15.253 1.00 0.00 C ATOM 360 C LEU A 22 0.594 7.741 15.127 1.00 0.00 C ATOM 361 O LEU A 22 0.673 8.808 15.737 1.00 0.00 O ATOM 362 CB LEU A 22 -1.046 6.742 16.728 1.00 0.00 C ATOM 363 CG LEU A 22 -2.199 5.776 17.027 1.00 0.00 C ATOM 364 CD1 LEU A 22 -2.493 5.783 18.521 1.00 0.00 C ATOM 365 CD2 LEU A 22 -3.426 6.185 16.226 1.00 0.00 C ATOM 366 H LEU A 22 -0.915 5.255 13.864 1.00 0.00 H ATOM 367 HA LEU A 22 -1.456 7.329 14.703 1.00 0.00 H ATOM 368 1HB LEU A 22 -0.180 6.412 17.300 1.00 0.00 H ATOM 369 2HB LEU A 22 -1.338 7.729 17.088 1.00 0.00 H ATOM 370 HG LEU A 22 -1.906 4.763 16.750 1.00 0.00 H ATOM 371 1HD1 LEU A 22 -3.313 5.096 18.734 1.00 0.00 H ATOM 372 2HD1 LEU A 22 -1.605 5.467 19.069 1.00 0.00 H ATOM 373 3HD1 LEU A 22 -2.774 6.789 18.832 1.00 0.00 H ATOM 374 1HD2 LEU A 22 -4.245 5.497 16.438 1.00 0.00 H ATOM 375 2HD2 LEU A 22 -3.720 7.197 16.504 1.00 0.00 H ATOM 376 3HD2 LEU A 22 -3.192 6.154 15.162 1.00 0.00 H ATOM 377 N ARG A 23 1.557 7.290 14.332 1.00 0.00 N ATOM 378 CA ARG A 23 2.703 8.116 13.971 1.00 0.00 C ATOM 379 C ARG A 23 2.480 8.814 12.636 1.00 0.00 C ATOM 380 O ARG A 23 2.201 8.168 11.625 1.00 0.00 O ATOM 381 CB ARG A 23 3.968 7.274 13.896 1.00 0.00 C ATOM 382 CG ARG A 23 5.247 8.060 13.653 1.00 0.00 C ATOM 383 CD ARG A 23 6.449 7.191 13.729 1.00 0.00 C ATOM 384 NE ARG A 23 7.677 7.947 13.541 1.00 0.00 N ATOM 385 CZ ARG A 23 8.913 7.410 13.538 1.00 0.00 C ATOM 386 NH1 ARG A 23 9.068 6.116 13.714 1.00 0.00 N ATOM 387 NH2 ARG A 23 9.969 8.184 13.358 1.00 0.00 N ATOM 388 H ARG A 23 1.495 6.350 13.967 1.00 0.00 H ATOM 389 HA ARG A 23 2.840 8.874 14.744 1.00 0.00 H ATOM 390 1HB ARG A 23 4.093 6.721 14.826 1.00 0.00 H ATOM 391 2HB ARG A 23 3.872 6.544 13.092 1.00 0.00 H ATOM 392 1HG ARG A 23 5.213 8.513 12.661 1.00 0.00 H ATOM 393 2HG ARG A 23 5.341 8.843 14.406 1.00 0.00 H ATOM 394 1HD ARG A 23 6.490 6.712 14.706 1.00 0.00 H ATOM 395 2HD ARG A 23 6.396 6.429 12.953 1.00 0.00 H ATOM 396 HE ARG A 23 7.598 8.946 13.403 1.00 0.00 H ATOM 397 1HH1 ARG A 23 8.260 5.525 13.851 1.00 0.00 H ATOM 398 2HH1 ARG A 23 9.994 5.714 13.711 1.00 0.00 H ATOM 399 1HH2 ARG A 23 9.850 9.178 13.223 1.00 0.00 H ATOM 400 2HH2 ARG A 23 10.895 7.781 13.356 1.00 0.00 H ATOM 401 N GLU A 24 2.605 10.137 12.637 1.00 0.00 N ATOM 402 CA GLU A 24 2.268 10.940 11.467 1.00 0.00 C ATOM 403 C GLU A 24 3.508 11.259 10.642 1.00 0.00 C ATOM 404 O GLU A 24 4.490 11.790 11.161 1.00 0.00 O ATOM 405 CB GLU A 24 1.579 12.238 11.892 1.00 0.00 C ATOM 406 CG GLU A 24 1.225 13.169 10.741 1.00 0.00 C ATOM 407 CD GLU A 24 0.471 14.391 11.186 1.00 0.00 C ATOM 408 OE1 GLU A 24 0.217 14.514 12.360 1.00 0.00 O ATOM 409 OE2 GLU A 24 0.150 15.203 10.351 1.00 0.00 O ATOM 410 H GLU A 24 2.941 10.598 13.470 1.00 0.00 H ATOM 411 HA GLU A 24 1.572 10.372 10.848 1.00 0.00 H ATOM 412 1HB GLU A 24 0.659 12.003 12.428 1.00 0.00 H ATOM 413 2HB GLU A 24 2.225 12.786 12.578 1.00 0.00 H ATOM 414 1HG GLU A 24 2.143 13.482 10.245 1.00 0.00 H ATOM 415 2HG GLU A 24 0.623 12.621 10.017 1.00 0.00 H ATOM 416 N PHE A 25 3.456 10.932 9.355 1.00 0.00 N ATOM 417 CA PHE A 25 4.466 11.390 8.408 1.00 0.00 C ATOM 418 C PHE A 25 3.862 12.330 7.373 1.00 0.00 C ATOM 419 O PHE A 25 2.699 12.187 6.993 1.00 0.00 O ATOM 420 CB PHE A 25 5.118 10.198 7.704 1.00 0.00 C ATOM 421 CG PHE A 25 5.925 9.321 8.619 1.00 0.00 C ATOM 422 CD1 PHE A 25 5.348 8.221 9.235 1.00 0.00 C ATOM 423 CD2 PHE A 25 7.261 9.595 8.865 1.00 0.00 C ATOM 424 CE1 PHE A 25 6.089 7.413 10.077 1.00 0.00 C ATOM 425 CE2 PHE A 25 8.005 8.789 9.705 1.00 0.00 C ATOM 426 CZ PHE A 25 7.418 7.697 10.312 1.00 0.00 C ATOM 427 H PHE A 25 2.700 10.350 9.026 1.00 0.00 H ATOM 428 HA PHE A 25 5.239 11.927 8.958 1.00 0.00 H ATOM 429 1HB PHE A 25 4.347 9.585 7.238 1.00 0.00 H ATOM 430 2HB PHE A 25 5.773 10.558 6.912 1.00 0.00 H ATOM 431 HD1 PHE A 25 4.297 7.996 9.049 1.00 0.00 H ATOM 432 HD2 PHE A 25 7.725 10.458 8.386 1.00 0.00 H ATOM 433 HE1 PHE A 25 5.623 6.552 10.555 1.00 0.00 H ATOM 434 HE2 PHE A 25 9.055 9.015 9.890 1.00 0.00 H ATOM 435 HZ PHE A 25 8.002 7.062 10.976 1.00 0.00 H ATOM 436 N ARG A 26 4.658 13.291 6.918 1.00 0.00 N ATOM 437 CA ARG A 26 4.272 14.139 5.796 1.00 0.00 C ATOM 438 C ARG A 26 5.406 14.270 4.788 1.00 0.00 C ATOM 439 O ARG A 26 6.511 14.690 5.133 1.00 0.00 O ATOM 440 CB ARG A 26 3.869 15.523 6.284 1.00 0.00 C ATOM 441 CG ARG A 26 3.401 16.474 5.195 1.00 0.00 C ATOM 442 CD ARG A 26 2.921 17.762 5.759 1.00 0.00 C ATOM 443 NE ARG A 26 2.442 18.663 4.723 1.00 0.00 N ATOM 444 CZ ARG A 26 3.222 19.515 4.029 1.00 0.00 C ATOM 445 NH1 ARG A 26 4.513 19.570 4.272 1.00 0.00 N ATOM 446 NH2 ARG A 26 2.689 20.295 3.105 1.00 0.00 N ATOM 447 H ARG A 26 5.555 13.438 7.359 1.00 0.00 H ATOM 448 HA ARG A 26 3.413 13.686 5.300 1.00 0.00 H ATOM 449 1HB ARG A 26 3.063 15.431 7.011 1.00 0.00 H ATOM 450 2HB ARG A 26 4.714 15.990 6.789 1.00 0.00 H ATOM 451 1HG ARG A 26 4.227 16.684 4.515 1.00 0.00 H ATOM 452 2HG ARG A 26 2.581 16.017 4.639 1.00 0.00 H ATOM 453 1HD ARG A 26 2.102 17.572 6.452 1.00 0.00 H ATOM 454 2HD ARG A 26 3.737 18.253 6.288 1.00 0.00 H ATOM 455 HE ARG A 26 1.454 18.649 4.508 1.00 0.00 H ATOM 456 1HH1 ARG A 26 4.920 18.973 4.978 1.00 0.00 H ATOM 457 2HH1 ARG A 26 5.097 20.208 3.752 1.00 0.00 H ATOM 458 1HH2 ARG A 26 1.696 20.253 2.919 1.00 0.00 H ATOM 459 2HH2 ARG A 26 3.273 20.933 2.585 1.00 0.00 H ATOM 460 N ILE A 27 5.126 13.909 3.541 1.00 0.00 N ATOM 461 CA ILE A 27 6.139 13.931 2.491 1.00 0.00 C ATOM 462 C ILE A 27 5.804 14.965 1.424 1.00 0.00 C ATOM 463 O ILE A 27 4.742 14.911 0.807 1.00 0.00 O ATOM 464 CB ILE A 27 6.280 12.544 1.836 1.00 0.00 C ATOM 465 CG1 ILE A 27 6.571 11.480 2.898 1.00 0.00 C ATOM 466 CG2 ILE A 27 7.377 12.563 0.783 1.00 0.00 C ATOM 467 CD1 ILE A 27 5.331 10.819 3.455 1.00 0.00 C ATOM 468 H ILE A 27 4.188 13.612 3.313 1.00 0.00 H ATOM 469 HA ILE A 27 7.098 14.190 2.942 1.00 0.00 H ATOM 470 HB ILE A 27 5.339 12.268 1.362 1.00 0.00 H ATOM 471 1HG1 ILE A 27 7.208 10.706 2.471 1.00 0.00 H ATOM 472 2HG1 ILE A 27 7.117 11.932 3.726 1.00 0.00 H ATOM 473 1HG2 ILE A 27 7.464 11.576 0.331 1.00 0.00 H ATOM 474 2HG2 ILE A 27 7.130 13.294 0.014 1.00 0.00 H ATOM 475 3HG2 ILE A 27 8.325 12.834 1.249 1.00 0.00 H ATOM 476 1HD1 ILE A 27 5.617 10.078 4.201 1.00 0.00 H ATOM 477 2HD1 ILE A 27 4.694 11.573 3.919 1.00 0.00 H ATOM 478 3HD1 ILE A 27 4.786 10.330 2.649 1.00 0.00 H ATOM 479 N THR A 28 6.719 15.904 1.211 1.00 0.00 N ATOM 480 CA THR A 28 6.574 16.886 0.143 1.00 0.00 C ATOM 481 C THR A 28 7.452 16.534 -1.052 1.00 0.00 C ATOM 482 O THR A 28 8.147 15.518 -1.045 1.00 0.00 O ATOM 483 CB THR A 28 6.921 18.301 0.640 1.00 0.00 C ATOM 484 OG1 THR A 28 6.649 19.254 -0.396 1.00 0.00 O ATOM 485 CG2 THR A 28 8.389 18.385 1.029 1.00 0.00 C ATOM 486 H THR A 28 7.536 15.941 1.805 1.00 0.00 H ATOM 487 HA THR A 28 5.536 16.884 -0.190 1.00 0.00 H ATOM 488 HB THR A 28 6.307 18.543 1.507 1.00 0.00 H ATOM 489 HG1 THR A 28 6.355 20.079 -0.002 1.00 0.00 H ATOM 490 1HG2 THR A 28 8.616 19.393 1.378 1.00 0.00 H ATOM 491 2HG2 THR A 28 8.596 17.670 1.824 1.00 0.00 H ATOM 492 3HG2 THR A 28 9.008 18.154 0.163 1.00 0.00 H ATOM 493 N LYS A 29 7.415 17.379 -2.076 1.00 0.00 N ATOM 494 CA LYS A 29 8.014 17.048 -3.364 1.00 0.00 C ATOM 495 C LYS A 29 9.533 17.006 -3.270 1.00 0.00 C ATOM 496 O LYS A 29 10.200 16.400 -4.108 1.00 0.00 O ATOM 497 CB LYS A 29 7.580 18.055 -4.431 1.00 0.00 C ATOM 498 CG LYS A 29 8.128 19.461 -4.228 1.00 0.00 C ATOM 499 CD LYS A 29 7.569 20.427 -5.263 1.00 0.00 C ATOM 500 CE LYS A 29 8.121 21.831 -5.066 1.00 0.00 C ATOM 501 NZ LYS A 29 7.566 22.791 -6.058 1.00 0.00 N ATOM 502 H LYS A 29 6.960 18.273 -1.961 1.00 0.00 H ATOM 503 HA LYS A 29 7.655 16.064 -3.670 1.00 0.00 H ATOM 504 1HB LYS A 29 7.905 17.708 -5.412 1.00 0.00 H ATOM 505 2HB LYS A 29 6.492 18.119 -4.450 1.00 0.00 H ATOM 506 1HG LYS A 29 7.860 19.816 -3.232 1.00 0.00 H ATOM 507 2HG LYS A 29 9.214 19.444 -4.308 1.00 0.00 H ATOM 508 1HD LYS A 29 7.831 20.079 -6.263 1.00 0.00 H ATOM 509 2HD LYS A 29 6.483 20.459 -5.182 1.00 0.00 H ATOM 510 1HE LYS A 29 7.878 22.180 -4.064 1.00 0.00 H ATOM 511 2HE LYS A 29 9.207 21.813 -5.167 1.00 0.00 H ATOM 512 1HZ LYS A 29 7.956 23.709 -5.894 1.00 0.00 H ATOM 513 2HZ LYS A 29 7.802 22.487 -6.992 1.00 0.00 H ATOM 514 3HZ LYS A 29 6.561 22.831 -5.962 1.00 0.00 H ATOM 515 N GLU A 30 10.075 17.655 -2.246 1.00 0.00 N ATOM 516 CA GLU A 30 11.521 17.736 -2.068 1.00 0.00 C ATOM 517 C GLU A 30 12.015 16.677 -1.090 1.00 0.00 C ATOM 518 O GLU A 30 13.220 16.492 -0.918 1.00 0.00 O ATOM 519 CB GLU A 30 11.921 19.128 -1.573 1.00 0.00 C ATOM 520 CG GLU A 30 11.635 20.252 -2.559 1.00 0.00 C ATOM 521 CD GLU A 30 12.084 21.597 -2.058 1.00 0.00 C ATOM 522 OE1 GLU A 30 12.466 21.687 -0.916 1.00 0.00 O ATOM 523 OE2 GLU A 30 12.044 22.535 -2.819 1.00 0.00 O ATOM 524 H GLU A 30 9.472 18.105 -1.572 1.00 0.00 H ATOM 525 HA GLU A 30 11.998 17.570 -3.035 1.00 0.00 H ATOM 526 1HB GLU A 30 11.391 19.351 -0.648 1.00 0.00 H ATOM 527 2HB GLU A 30 12.988 19.142 -1.350 1.00 0.00 H ATOM 528 1HG GLU A 30 12.147 20.037 -3.497 1.00 0.00 H ATOM 529 2HG GLU A 30 10.565 20.282 -2.758 1.00 0.00 H ATOM 530 N ALA A 31 11.078 15.985 -0.453 1.00 0.00 N ATOM 531 CA ALA A 31 11.392 15.160 0.708 1.00 0.00 C ATOM 532 C ALA A 31 11.820 13.759 0.290 1.00 0.00 C ATOM 533 O ALA A 31 11.171 12.772 0.635 1.00 0.00 O ATOM 534 CB ALA A 31 10.196 15.090 1.647 1.00 0.00 C ATOM 535 H ALA A 31 10.123 16.031 -0.780 1.00 0.00 H ATOM 536 HA ALA A 31 12.211 15.628 1.254 1.00 0.00 H ATOM 537 1HB ALA A 31 10.446 14.470 2.509 1.00 0.00 H ATOM 538 2HB ALA A 31 9.939 16.094 1.984 1.00 0.00 H ATOM 539 3HB ALA A 31 9.347 14.655 1.122 1.00 0.00 H ATOM 540 N GLU A 32 12.916 13.680 -0.457 1.00 0.00 N ATOM 541 CA GLU A 32 13.454 12.397 -0.895 1.00 0.00 C ATOM 542 C GLU A 32 14.206 11.702 0.234 1.00 0.00 C ATOM 543 O GLU A 32 14.223 10.474 0.315 1.00 0.00 O ATOM 544 CB GLU A 32 14.381 12.589 -2.097 1.00 0.00 C ATOM 545 CG GLU A 32 13.678 13.042 -3.368 1.00 0.00 C ATOM 546 CD GLU A 32 14.616 13.198 -4.532 1.00 0.00 C ATOM 547 OE1 GLU A 32 15.804 13.127 -4.327 1.00 0.00 O ATOM 548 OE2 GLU A 32 14.144 13.388 -5.628 1.00 0.00 O ATOM 549 H GLU A 32 13.389 14.530 -0.729 1.00 0.00 H ATOM 550 HA GLU A 32 12.624 11.762 -1.206 1.00 0.00 H ATOM 551 1HB GLU A 32 15.143 13.331 -1.854 1.00 0.00 H ATOM 552 2HB GLU A 32 14.894 11.652 -2.314 1.00 0.00 H ATOM 553 1HG GLU A 32 12.913 12.311 -3.628 1.00 0.00 H ATOM 554 2HG GLU A 32 13.182 13.993 -3.177 1.00 0.00 H ATOM 555 N GLU A 33 14.826 12.495 1.100 1.00 0.00 N ATOM 556 CA GLU A 33 15.561 11.957 2.239 1.00 0.00 C ATOM 557 C GLU A 33 14.619 11.322 3.253 1.00 0.00 C ATOM 558 O GLU A 33 14.947 10.309 3.870 1.00 0.00 O ATOM 559 CB GLU A 33 16.382 13.059 2.912 1.00 0.00 C ATOM 560 CG GLU A 33 17.541 13.581 2.074 1.00 0.00 C ATOM 561 CD GLU A 33 18.299 14.690 2.750 1.00 0.00 C ATOM 562 OE1 GLU A 33 17.842 15.166 3.762 1.00 0.00 O ATOM 563 OE2 GLU A 33 19.337 15.061 2.254 1.00 0.00 O ATOM 564 H GLU A 33 14.788 13.495 0.967 1.00 0.00 H ATOM 565 HA GLU A 33 16.251 11.195 1.877 1.00 0.00 H ATOM 566 1HB GLU A 33 15.734 13.903 3.149 1.00 0.00 H ATOM 567 2HB GLU A 33 16.791 12.686 3.852 1.00 0.00 H ATOM 568 1HG GLU A 33 18.227 12.760 1.870 1.00 0.00 H ATOM 569 2HG GLU A 33 17.153 13.940 1.122 1.00 0.00 H ATOM 570 N LEU A 34 13.444 11.922 3.420 1.00 0.00 N ATOM 571 CA LEU A 34 12.428 11.382 4.315 1.00 0.00 C ATOM 572 C LEU A 34 11.872 10.067 3.785 1.00 0.00 C ATOM 573 O LEU A 34 11.789 9.078 4.515 1.00 0.00 O ATOM 574 CB LEU A 34 11.288 12.392 4.493 1.00 0.00 C ATOM 575 CG LEU A 34 10.059 11.881 5.254 1.00 0.00 C ATOM 576 CD1 LEU A 34 10.482 11.392 6.633 1.00 0.00 C ATOM 577 CD2 LEU A 34 9.028 12.994 5.361 1.00 0.00 C ATOM 578 H LEU A 34 13.252 12.774 2.913 1.00 0.00 H ATOM 579 HA LEU A 34 12.885 11.202 5.289 1.00 0.00 H ATOM 580 1HB LEU A 34 11.672 13.259 5.028 1.00 0.00 H ATOM 581 2HB LEU A 34 10.955 12.718 3.507 1.00 0.00 H ATOM 582 HG LEU A 34 9.625 11.035 4.719 1.00 0.00 H ATOM 583 1HD1 LEU A 34 9.608 11.028 7.174 1.00 0.00 H ATOM 584 2HD1 LEU A 34 11.204 10.583 6.526 1.00 0.00 H ATOM 585 3HD1 LEU A 34 10.935 12.214 7.187 1.00 0.00 H ATOM 586 1HD2 LEU A 34 8.153 12.630 5.902 1.00 0.00 H ATOM 587 2HD2 LEU A 34 9.460 13.840 5.897 1.00 0.00 H ATOM 588 3HD2 LEU A 34 8.730 13.312 4.362 1.00 0.00 H ATOM 589 N ALA A 35 11.491 10.059 2.512 1.00 0.00 N ATOM 590 CA ALA A 35 10.896 8.880 1.898 1.00 0.00 C ATOM 591 C ALA A 35 11.825 7.676 2.003 1.00 0.00 C ATOM 592 O ALA A 35 11.378 6.555 2.244 1.00 0.00 O ATOM 593 CB ALA A 35 10.553 9.157 0.441 1.00 0.00 C ATOM 594 H ALA A 35 11.616 10.894 1.958 1.00 0.00 H ATOM 595 HA ALA A 35 9.965 8.650 2.417 1.00 0.00 H ATOM 596 1HB ALA A 35 10.109 8.267 -0.004 1.00 0.00 H ATOM 597 2HB ALA A 35 9.844 9.983 0.386 1.00 0.00 H ATOM 598 3HB ALA A 35 11.459 9.421 -0.102 1.00 0.00 H ATOM 599 N HIS A 36 13.119 7.916 1.822 1.00 0.00 N ATOM 600 CA HIS A 36 14.113 6.853 1.901 1.00 0.00 C ATOM 601 C HIS A 36 14.064 6.152 3.253 1.00 0.00 C ATOM 602 O HIS A 36 13.865 4.940 3.328 1.00 0.00 O ATOM 603 CB HIS A 36 15.520 7.408 1.658 1.00 0.00 C ATOM 604 CG HIS A 36 16.605 6.389 1.819 1.00 0.00 C ATOM 605 ND1 HIS A 36 16.874 5.432 0.864 1.00 0.00 N ATOM 606 CD2 HIS A 36 17.487 6.177 2.824 1.00 0.00 C ATOM 607 CE1 HIS A 36 17.877 4.675 1.274 1.00 0.00 C ATOM 608 NE2 HIS A 36 18.266 5.106 2.460 1.00 0.00 N ATOM 609 H HIS A 36 13.422 8.859 1.624 1.00 0.00 H ATOM 610 HA HIS A 36 13.901 6.122 1.121 1.00 0.00 H ATOM 611 1HB HIS A 36 15.581 7.815 0.648 1.00 0.00 H ATOM 612 2HB HIS A 36 15.714 8.225 2.352 1.00 0.00 H ATOM 613 HD1 HIS A 36 16.448 5.360 -0.038 1.00 0.00 H ATOM 614 HD2 HIS A 36 17.655 6.675 3.780 1.00 0.00 H ATOM 615 HE1 HIS A 36 18.244 3.856 0.656 1.00 0.00 H ATOM 616 N GLU A 37 14.246 6.922 4.320 1.00 0.00 N ATOM 617 CA GLU A 37 14.278 6.369 5.668 1.00 0.00 C ATOM 618 C GLU A 37 12.894 5.907 6.107 1.00 0.00 C ATOM 619 O GLU A 37 12.756 4.898 6.799 1.00 0.00 O ATOM 620 CB GLU A 37 14.818 7.404 6.657 1.00 0.00 C ATOM 621 CG GLU A 37 16.295 7.729 6.484 1.00 0.00 C ATOM 622 CD GLU A 37 16.821 8.648 7.550 1.00 0.00 C ATOM 623 OE1 GLU A 37 16.034 9.152 8.315 1.00 0.00 O ATOM 624 OE2 GLU A 37 18.012 8.847 7.600 1.00 0.00 O ATOM 625 H GLU A 37 14.366 7.917 4.194 1.00 0.00 H ATOM 626 HA GLU A 37 14.951 5.511 5.674 1.00 0.00 H ATOM 627 1HB GLU A 37 14.257 8.333 6.554 1.00 0.00 H ATOM 628 2HB GLU A 37 14.672 7.045 7.676 1.00 0.00 H ATOM 629 1HG GLU A 37 16.866 6.801 6.507 1.00 0.00 H ATOM 630 2HG GLU A 37 16.443 8.190 5.508 1.00 0.00 H ATOM 631 N LEU A 38 11.872 6.652 5.701 1.00 0.00 N ATOM 632 CA LEU A 38 10.500 6.347 6.089 1.00 0.00 C ATOM 633 C LEU A 38 10.091 4.956 5.619 1.00 0.00 C ATOM 634 O LEU A 38 9.638 4.131 6.411 1.00 0.00 O ATOM 635 CB LEU A 38 9.539 7.392 5.508 1.00 0.00 C ATOM 636 CG LEU A 38 8.094 7.325 6.018 1.00 0.00 C ATOM 637 CD1 LEU A 38 7.358 8.599 5.628 1.00 0.00 C ATOM 638 CD2 LEU A 38 7.407 6.097 5.439 1.00 0.00 C ATOM 639 H LEU A 38 12.049 7.450 5.108 1.00 0.00 H ATOM 640 HA LEU A 38 10.431 6.382 7.177 1.00 0.00 H ATOM 641 1HB LEU A 38 9.926 8.384 5.737 1.00 0.00 H ATOM 642 2HB LEU A 38 9.514 7.276 4.424 1.00 0.00 H ATOM 643 HG LEU A 38 8.096 7.260 7.107 1.00 0.00 H ATOM 644 1HD1 LEU A 38 6.331 8.551 5.992 1.00 0.00 H ATOM 645 2HD1 LEU A 38 7.859 9.459 6.072 1.00 0.00 H ATOM 646 3HD1 LEU A 38 7.354 8.700 4.544 1.00 0.00 H ATOM 647 1HD2 LEU A 38 6.381 6.049 5.802 1.00 0.00 H ATOM 648 2HD2 LEU A 38 7.404 6.161 4.350 1.00 0.00 H ATOM 649 3HD2 LEU A 38 7.944 5.200 5.748 1.00 0.00 H ATOM 650 N ILE A 39 10.254 4.703 4.325 1.00 0.00 N ATOM 651 CA ILE A 39 9.774 3.466 3.719 1.00 0.00 C ATOM 652 C ILE A 39 10.517 2.258 4.272 1.00 0.00 C ATOM 653 O ILE A 39 9.904 1.253 4.635 1.00 0.00 O ATOM 654 CB ILE A 39 9.928 3.507 2.188 1.00 0.00 C ATOM 655 CG1 ILE A 39 9.018 4.582 1.588 1.00 0.00 C ATOM 656 CG2 ILE A 39 9.618 2.146 1.585 1.00 0.00 C ATOM 657 CD1 ILE A 39 9.324 4.905 0.143 1.00 0.00 C ATOM 658 H ILE A 39 10.723 5.384 3.745 1.00 0.00 H ATOM 659 HA ILE A 39 8.712 3.359 3.948 1.00 0.00 H ATOM 660 HB ILE A 39 10.951 3.783 1.933 1.00 0.00 H ATOM 661 1HG1 ILE A 39 7.980 4.257 1.653 1.00 0.00 H ATOM 662 2HG1 ILE A 39 9.108 5.501 2.168 1.00 0.00 H ATOM 663 1HG2 ILE A 39 9.732 2.193 0.502 1.00 0.00 H ATOM 664 2HG2 ILE A 39 10.305 1.404 1.990 1.00 0.00 H ATOM 665 3HG2 ILE A 39 8.594 1.864 1.830 1.00 0.00 H ATOM 666 1HD1 ILE A 39 8.638 5.675 -0.211 1.00 0.00 H ATOM 667 2HD1 ILE A 39 10.350 5.267 0.061 1.00 0.00 H ATOM 668 3HD1 ILE A 39 9.206 4.008 -0.463 1.00 0.00 H ATOM 669 N ARG A 40 11.840 2.360 4.335 1.00 0.00 N ATOM 670 CA ARG A 40 12.673 1.257 4.798 1.00 0.00 C ATOM 671 C ARG A 40 12.218 0.758 6.164 1.00 0.00 C ATOM 672 O ARG A 40 12.168 -0.448 6.409 1.00 0.00 O ATOM 673 CB ARG A 40 14.131 1.684 4.878 1.00 0.00 C ATOM 674 CG ARG A 40 15.081 0.621 5.407 1.00 0.00 C ATOM 675 CD ARG A 40 15.195 -0.528 4.473 1.00 0.00 C ATOM 676 NE ARG A 40 16.047 -1.578 5.007 1.00 0.00 N ATOM 677 CZ ARG A 40 15.626 -2.569 5.816 1.00 0.00 C ATOM 678 NH1 ARG A 40 14.363 -2.632 6.176 1.00 0.00 N ATOM 679 NH2 ARG A 40 16.482 -3.479 6.249 1.00 0.00 N ATOM 680 H ARG A 40 12.280 3.225 4.056 1.00 0.00 H ATOM 681 HA ARG A 40 12.593 0.438 4.081 1.00 0.00 H ATOM 682 1HB ARG A 40 14.480 1.973 3.888 1.00 0.00 H ATOM 683 2HB ARG A 40 14.220 2.557 5.525 1.00 0.00 H ATOM 684 1HG ARG A 40 16.073 1.053 5.541 1.00 0.00 H ATOM 685 2HG ARG A 40 14.714 0.250 6.365 1.00 0.00 H ATOM 686 1HD ARG A 40 14.206 -0.950 4.294 1.00 0.00 H ATOM 687 2HD ARG A 40 15.621 -0.189 3.530 1.00 0.00 H ATOM 688 HE ARG A 40 17.026 -1.564 4.752 1.00 0.00 H ATOM 689 1HH1 ARG A 40 13.708 -1.936 5.845 1.00 0.00 H ATOM 690 2HH1 ARG A 40 14.046 -3.374 6.782 1.00 0.00 H ATOM 691 1HH2 ARG A 40 17.453 -3.431 5.973 1.00 0.00 H ATOM 692 2HH2 ARG A 40 16.166 -4.221 6.855 1.00 0.00 H ATOM 693 N ARG A 41 11.887 1.691 7.049 1.00 0.00 N ATOM 694 CA ARG A 41 11.573 1.357 8.432 1.00 0.00 C ATOM 695 C ARG A 41 10.103 0.988 8.591 1.00 0.00 C ATOM 696 O ARG A 41 9.763 0.047 9.308 1.00 0.00 O ATOM 697 CB ARG A 41 11.903 2.523 9.352 1.00 0.00 C ATOM 698 CG ARG A 41 11.553 2.302 10.815 1.00 0.00 C ATOM 699 CD ARG A 41 12.387 1.233 11.424 1.00 0.00 C ATOM 700 NE ARG A 41 12.021 0.981 12.808 1.00 0.00 N ATOM 701 CZ ARG A 41 11.030 0.155 13.199 1.00 0.00 C ATOM 702 NH1 ARG A 41 10.319 -0.489 12.301 1.00 0.00 N ATOM 703 NH2 ARG A 41 10.774 -0.007 14.485 1.00 0.00 N ATOM 704 H ARG A 41 11.851 2.657 6.756 1.00 0.00 H ATOM 705 HA ARG A 41 12.181 0.501 8.729 1.00 0.00 H ATOM 706 1HB ARG A 41 12.968 2.739 9.297 1.00 0.00 H ATOM 707 2HB ARG A 41 11.370 3.413 9.017 1.00 0.00 H ATOM 708 1HG ARG A 41 11.718 3.224 11.372 1.00 0.00 H ATOM 709 2HG ARG A 41 10.506 2.009 10.900 1.00 0.00 H ATOM 710 1HD ARG A 41 12.259 0.308 10.863 1.00 0.00 H ATOM 711 2HD ARG A 41 13.435 1.531 11.397 1.00 0.00 H ATOM 712 HE ARG A 41 12.546 1.459 13.528 1.00 0.00 H ATOM 713 1HH1 ARG A 41 10.514 -0.365 11.317 1.00 0.00 H ATOM 714 2HH1 ARG A 41 9.577 -1.108 12.593 1.00 0.00 H ATOM 715 1HH2 ARG A 41 11.322 0.488 15.176 1.00 0.00 H ATOM 716 2HH2 ARG A 41 10.033 -0.625 14.778 1.00 0.00 H ATOM 717 N ILE A 42 9.235 1.735 7.918 1.00 0.00 N ATOM 718 CA ILE A 42 7.802 1.670 8.180 1.00 0.00 C ATOM 719 C ILE A 42 7.154 0.527 7.409 1.00 0.00 C ATOM 720 O ILE A 42 6.282 -0.170 7.930 1.00 0.00 O ATOM 721 CB ILE A 42 7.114 2.996 7.810 1.00 0.00 C ATOM 722 CG1 ILE A 42 7.665 4.140 8.665 1.00 0.00 C ATOM 723 CG2 ILE A 42 5.607 2.879 7.978 1.00 0.00 C ATOM 724 CD1 ILE A 42 7.502 3.924 10.152 1.00 0.00 C ATOM 725 H ILE A 42 9.576 2.366 7.207 1.00 0.00 H ATOM 726 HA ILE A 42 7.653 1.501 9.247 1.00 0.00 H ATOM 727 HB ILE A 42 7.336 3.243 6.772 1.00 0.00 H ATOM 728 1HG1 ILE A 42 8.725 4.275 8.453 1.00 0.00 H ATOM 729 2HG1 ILE A 42 7.159 5.069 8.399 1.00 0.00 H ATOM 730 1HG2 ILE A 42 5.137 3.825 7.712 1.00 0.00 H ATOM 731 2HG2 ILE A 42 5.229 2.091 7.328 1.00 0.00 H ATOM 732 3HG2 ILE A 42 5.375 2.637 9.015 1.00 0.00 H ATOM 733 1HD1 ILE A 42 7.916 4.777 10.691 1.00 0.00 H ATOM 734 2HD1 ILE A 42 6.443 3.822 10.392 1.00 0.00 H ATOM 735 3HD1 ILE A 42 8.031 3.019 10.447 1.00 0.00 H ATOM 736 N ILE A 43 7.584 0.339 6.166 1.00 0.00 N ATOM 737 CA ILE A 43 6.956 -0.630 5.277 1.00 0.00 C ATOM 738 C ILE A 43 6.803 -1.984 5.958 1.00 0.00 C ATOM 739 O ILE A 43 7.603 -2.351 6.818 1.00 0.00 O ATOM 740 OXT ILE A 43 5.893 -2.708 5.657 1.00 0.00 O ATOM 741 CB ILE A 43 7.771 -0.796 3.981 1.00 0.00 C ATOM 742 CG1 ILE A 43 6.939 -1.512 2.914 1.00 0.00 C ATOM 743 CG2 ILE A 43 9.059 -1.557 4.257 1.00 0.00 C ATOM 744 CD1 ILE A 43 5.764 -0.704 2.412 1.00 0.00 C ATOM 745 H ILE A 43 8.365 0.882 5.829 1.00 0.00 H ATOM 746 HA ILE A 43 5.965 -0.261 5.006 1.00 0.00 H ATOM 747 HB ILE A 43 8.020 0.186 3.580 1.00 0.00 H ATOM 748 1HG1 ILE A 43 7.573 -1.758 2.063 1.00 0.00 H ATOM 749 2HG1 ILE A 43 6.558 -2.450 3.319 1.00 0.00 H ATOM 750 1HG2 ILE A 43 9.623 -1.665 3.330 1.00 0.00 H ATOM 751 2HG2 ILE A 43 9.657 -1.009 4.983 1.00 0.00 H ATOM 752 3HG2 ILE A 43 8.820 -2.544 4.654 1.00 0.00 H ATOM 753 1HD1 ILE A 43 5.223 -1.278 1.659 1.00 0.00 H ATOM 754 2HD1 ILE A 43 5.097 -0.476 3.244 1.00 0.00 H ATOM 755 3HD1 ILE A 43 6.124 0.224 1.970 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE start12_0034_0001.pdb label fa_atr fa_rep fa_sol fa_intra_atr_xover4 fa_intra_rep_xover4 fa_intra_sol_xover4 lk_ball lk_ball_iso lk_ball_bridge lk_ball_bridge_uncpl fa_elec fa_intra_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun_dev fa_dun_rot fa_dun_semi p_aa_pp hxl_tors ref rama_prepro gen_bonded total weights 1 0.55 1 1 0.55 1 0.92 -0.38 -0.33 -0.33 1 1 1.25 1 1 1 1 1.25 0.48 0.69 0.76 0.78 0.61 1 1 0.5 1 NA pose -216.777 34.1698 125.024 -21.3608 24.698 12.5048 69.8276 -80.417 -0.19877 -1.49486 -46.0492 -10.3627 0 -23.1103 -5.90444 -0.00354 -1.73017 0 5.76949 7.47376 36.4288 30.242 -12.1416 10.0244 -19.9247 7.78645 0 -75.5269 THR:NtermProteinFull_1 -3.581 0.36537 2.19499 -0.19083 0.15178 0.07845 1.55338 -1.33527 -0.00616 -0.08514 -0.5475 -1.10472 0 0 0 0 0 0 -0.06089 0.00025 0.08542 0 0 2.28541 -1.0874 0 0 -1.2839 LEU_2 -7.70695 1.72612 1.21687 -0.71339 0.93491 0.22713 1.44684 -1.92714 -0.00495 -0.0319 -0.63664 0.02884 0 0 0 0 0 0 -0.02383 0.56203 1.42646 0 -0.31074 0 0.18072 -0.09811 0 -3.70372 LYS_3 -5.67509 1.07596 3.20649 -0.43192 0.07443 0.22617 1.64145 -1.91793 -0 -0 -0.32178 -0.05478 0 0 0 0 0 0 -0.0079 0.42937 1.86924 0 0.05265 0 -1.5107 0.1231 0 -1.22124 GLU_4 -4.38378 0.21553 4.70114 -0.21417 0.03217 0.30265 1.87056 -2.12269 -0.00616 -0.08514 -0.68978 -0.58404 0 0 0 0 0 0 -0.04402 0.00055 0 3.09739 -0.27118 0 -2.7348 0.04505 0 -0.87071 LEU_5 -5.70514 0.8466 4.60406 -0.49913 0.52625 0.11394 2.19266 -2.40326 -0 -0 -1.42308 0.27429 0 0 0 0 0 0 -0.02019 0.03714 0.69449 0 -0.21092 0 0.18072 0.06645 0 -0.72513 ILE_6 -8.98809 0.95613 2.73357 -0.51816 0.71164 0.10222 2.2625 -2.527 -0 -0 -1.7536 0.05634 0 0 0 0 0 0 -0.0513 0.0095 0.72622 0 -0.39281 0 0.73287 0.32424 0 -5.61572 HIS_D_7 -5.61739 0.35313 5.9397 -0.73596 0.02653 0.7545 2.76648 -2.75503 -0.00495 -0.0319 -2.65203 -0.31279 0 0 0 0 -0.86508 0 0.05101 0.33856 0 1.53641 -0.36598 0 -0.45461 0.75251 0 -1.2769 GLU_8 -5.36926 0.45909 5.67216 -0.21512 0.02346 0.28885 2.60363 -2.70034 -0 -0 -2.29839 -0.57523 0 0 0 0 0 0 -0.04758 0.1261 0 3.0183 -0.31635 0 -2.7348 0.42914 0 -1.63633 ILE_9 -8.88116 2.66762 5.31429 -0.68652 1.2494 0.15452 3.29671 -3.36433 -0 -0 -2.83854 0.38731 0 0 0 0 0 0 -0.01211 1.7765 0.56156 0 -0.32257 0 0.73287 -0.03716 0 -0.00159 LEU_10 -7.22807 0.70266 3.45565 -0.50707 0.59623 0.12291 2.12453 -2.68138 -0 -0 -0.98045 0.25502 0 0 0 0 0 0 0.05629 0.23607 0.38053 0 -0.26309 0 0.18072 0.24759 0 -3.30188 ARG_11 -4.10506 0.28293 4.51955 -0.6241 0.09585 0.36044 1.83442 -2.00961 -0 -0 -1.25747 0.50585 0 0 0 0 -0.86508 0 0.14846 0.43019 2.40149 0 -0.12943 0 -1.2888 -0.06438 0 0.23525 ILE_12 -4.73622 0.51191 3.01077 -0.51236 0.55018 0.10167 1.62522 -1.82627 -0 -0 -0.65458 0.0835 0 0 0 0 0 0 -0.07008 0.28546 0.55954 0 -0.45234 0 0.73287 0.07627 0 -0.71444 GLY_13 -2.52959 0.29651 2.32287 -6e-05 0 0 0.90421 -1.24309 -0 -0 -0.76641 -0.36291 0 0 0 0 0 0 -0.07189 0 0 0 -1.52631 0 0.83697 0.69185 0 -1.44786 THR_14 -4.17921 0.78038 2.23159 -0.19842 0.15201 0.06804 1.07293 -1.62369 -0.00875 -0.1527 -0.93246 -0.83986 0 0 0 -0.00177 0 0 0.5499 0.01409 0.88069 0 -0.80507 2.34346 -1.0874 0.94208 0 -0.79416 THR_15 -2.8962 0.28521 1.24019 -0.16278 0.10284 0.05657 0.41676 -1.01624 -0.01341 -0.25451 -1.12151 -0.02135 0 0 0 -0.00177 0 0 -0.02012 0.08376 0.28888 0 -0.13581 2.30921 -1.0874 0.47029 0 -1.47739 PHE_16 -7.86775 2.14435 2.32636 -0.77828 0.04371 0.06567 1.88983 -2.07038 -0 -0 -1.96991 -0.55412 0 0 0 0 0 0 -0.00802 0.03315 0 2.34495 -0.15378 0 1.0402 0.07237 0 -3.44164 SER_17 -2.83824 0.10016 1.37368 -0.03211 0 0.07379 0.41069 -1.00393 -0 -0 -0.47438 -0.20962 0 0 0 0 0 0 0.08618 0.00766 0.55246 0 -0.12754 0.60183 -0.77834 -0.01513 0 -2.27285 LEU_18 -6.40456 1.30386 0.68103 -0.85701 3.50726 0.37306 1.60515 -1.59175 -0.00972 -0.03257 -1.28677 -0.04493 0 0 0 0 0 0 -0.03328 0.04661 2.04042 0 0.05744 0 0.18072 0.35006 0 -0.11497 ILE_19 -4.09058 0.60607 0.89146 -0.65304 0.91992 0.1298 0.35313 -1.25527 -0 -0 -0.28186 0.35876 0 0 0 0 0 0 0.10052 0.43898 1.00199 0 -0.76447 0 0.73287 0.10687 0 -1.40486 VAL_20 -5.18526 1.15545 2.46456 -0.40839 1.33405 0.10964 1.8847 -1.93695 -0.00972 -0.03257 -1.21476 -0.5916 0 0 0 0 0 0 0.02684 0.11462 1.29319 0 -0.57585 0 1.9342 -0.29259 0 0.06957 ASN_21 -2.55697 1.02522 1.86395 -0.19347 0.02493 0.33206 0.58503 -1.09849 -0 -0 0.47387 -1.01686 0 0 0 0 0 0 -0.10554 0.11029 0 1.87292 -1.00704 0 -0.93687 -0.29225 0 -0.91922 LEU_22 -2.20802 0.6252 1.5258 -0.53536 0.41068 0.15937 0.16816 -0.98237 -0.00163 -0.00463 -0.14948 -0.05298 0 0 0 0 0 0 0.40107 0.17248 0.13446 0 0.65302 0 0.18072 0.45102 0 0.94751 ARG_23 -5.71697 1.02819 4.58467 -0.51655 0.07153 0.28024 2.538 -2.45198 -0.00047 -0.00122 -1.70243 0.53273 0 0 0 0 0 0 0.29583 0.17266 1.88643 0 0.06994 0 -1.2888 0.69301 0 0.4748 GLU_24 -2.91187 0.39812 1.41593 -0.31499 0.07145 0.39 0.17232 -0.92714 -0.00163 -0.00463 -0.38629 -0.35161 0 0 0 0 0 0 1.092 0.0936 0 2.8625 0.21593 0 -2.7348 -0.10143 0 -1.02253 PHE_25 -8.09468 1.4454 1.85802 -0.57362 0.034 0.28848 1.71951 -1.83652 -0.00047 -0.00122 -1.47062 0.15381 0 0 0 0 0 0 0.2431 0.00154 0 1.92777 -0.32965 0 1.0402 -0.27567 0 -3.87063 ARG_26 -3.32767 0.17935 1.83349 -0.72791 0.19747 0.47427 0.51421 -1.14479 -0.01304 -0.04515 -0.56215 0.23617 0 0 0 0 0 0 -0.02116 0.03417 2.45535 0 -0.06312 0 -1.2888 -0.13077 0 -1.40008 ILE_27 -7.81768 1.3151 0.93147 -0.58984 0.96076 0.16587 2.22933 -1.88542 -0 -0 -1.84017 0.04073 0 0 0 0 0 0 0.30829 0.13644 3.22053 0 -0.75956 0 0.73287 -0.14846 0 -2.99975 THR_28 -4.4329 0.80769 2.97726 -0.20262 0.13956 0.07143 2.19943 -1.96921 -0.01776 -0.14737 -1.57745 -0.83833 0 0 0 0 0 0 0.84175 0.37115 0.96203 0 -0.64486 2.48451 -1.0874 0.05782 0 -0.00529 LYS_29 -3.89621 0.41732 2.62479 -0.43284 0.08217 0.23221 0.78556 -1.30044 -0 -0 -0.26079 0.17755 0 0 0 0 0 0 -0.05494 0.0374 1.54306 0 -0.04346 0 -1.5107 0.07383 0 -1.52549 GLU_30 -2.81618 0.54914 2.5165 -0.2276 0.03605 0.35579 1.22349 -1.21889 -0.02403 -0.15456 -0.81448 -0.57964 0 0 0 0 0 0 0.99046 0.02164 0 2.93807 -0.04016 0 -2.7348 -0.40162 0 -0.38083 ALA_31 -4.98559 0.78332 2.43052 -0.03025 0.01135 0 2.15379 -2.15238 -6e-05 -0.00041 -1.14593 -0.50491 0 0 0 0 0 0 0.07821 0 0 0 -0.08654 0 1.8394 0.24984 0 -1.35964 GLU_32 -3.49419 0.21593 3.20095 -0.21646 0.0292 0.30654 1.57648 -1.70211 -0 -0 -1.4458 -0.59101 0 0 0 0 0 0 0.07904 0.00765 0 3.05567 -0.27798 0 -2.7348 0.21583 0 -1.77505 GLU_33 -2.41217 0.07679 2.98722 -0.21649 0.03137 0.30504 1.04436 -1.4003 -0.02403 -0.15456 -0.22004 -0.59263 0 0 0 0 0 0 0.16974 0.00182 0 3.03838 -0.32939 0 -2.7348 -0.45174 0 -0.88142 LEU_34 -6.00946 1.01095 3.61895 -0.72225 0.49884 0.29877 2.0376 -2.32067 -0.00305 -0.01718 -1.02661 0.16755 0 0 0 0 0 0 -0.02028 0.42852 0.74317 0 -0.18658 0 0.18072 0.06439 0 -1.2566 ALA_35 -5.50071 0.80522 3.27262 -0.022 0 0 2.31162 -2.39584 -0.01304 -0.07926 -1.46488 -0.36584 0 0 0 0 0 0 -0.02446 0 0 0 -0.34182 0 1.8394 0.24187 0 -1.73714 HIS_D_36 -3.87957 0.21589 4.57673 -0.68731 0.01679 0.68369 1.87018 -2.13692 -0 -0 -1.64891 -0.30677 0 0 0 0 0 0 0.02731 0.05293 0 1.48373 -0.39123 0 -0.45461 0.68251 0 0.10442 GLU_37 -3.7174 0.09163 4.53407 -0.21547 0.02543 0.29191 1.69624 -2.07633 -0 -0 -1.09542 -0.58117 0 0 0 0 0 0 -0.04792 0.11645 0 3.06586 -0.315 0 -2.7348 0.52387 0 -0.43803 LEU_38 -9.24882 2.00115 3.21408 -0.70739 6.46953 0.32488 2.83488 -2.68002 -0.00981 -0.0409 -2.79342 -0.16751 0 0 0 0 0 0 0.16648 0.48206 1.03909 0 -0.15559 0 0.18072 0.35256 0 1.26197 ILE_39 -8.59589 1.58581 4.07147 -0.51116 0.60533 0.09952 2.9769 -2.8945 -0.00305 -0.01718 -1.70123 0.11782 0 0 0 0 0 0 -0.05454 0.06097 0.52636 0 -0.46766 0 0.73287 0.79416 0 -2.67399 ARG_40 -2.87675 0.09668 3.16406 -1.59973 0.58835 1.52092 0.98578 -1.54418 -0.01304 -0.07926 -0.49845 -0.99458 0 0 0 0 0 0 0.1472 0.00957 2.97303 0 -0.17141 0 -1.2888 0.42558 0 0.84496 ARG_41 -3.18448 0.15179 3.3819 -1.60644 0.58399 1.53801 1.2126 -1.59531 -0 -0 -0.46656 -1.04669 0 0 0 0 0 0 0.6095 0.01115 3.24455 0 -0.10165 0 -1.2888 0.3737 0 1.81727 ILE_42 -6.32021 1.44143 2.1042 -0.71568 1.54049 0.16694 1.56351 -1.69875 -0 -0 -0.37462 0.27009 0 0 0 0 0 0 0.10036 0.06219 0.87572 0 -0.35359 0 0.73287 0.18121 0 -0.42385 ILE:CtermProteinFull_43 -4.80448 1.06743 2.23398 -0.85655 1.2361 0.50882 1.67279 -1.69291 -0.00981 -0.0409 0.22457 -0.76263 0 0 0 0 0 0 0 0.11849 2.0624 0 0 0 0.73287 0.01667 0 1.70683 #END_POSE_ENERGIES_TABLE start12_0034_0001.pdb score_per_res -2.36699 total_score -101.78
HEEH_KT_rd6_6469.pdb
ATOM 1 N THR A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA THR A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C THR A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O THR A 1 1.957 2.116 -1.015 1.00 0.00 O ATOM 5 CB THR A 1 2.012 -0.770 -1.213 1.00 0.00 C ATOM 6 OG1 THR A 1 1.555 -2.128 -1.170 1.00 0.00 O ATOM 7 CG2 THR A 1 3.533 -0.750 -1.208 1.00 0.00 C ATOM 8 1H THR A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 9 2H THR A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 10 3H THR A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 11 HA THR A 1 1.804 -0.509 0.900 1.00 0.00 H ATOM 12 HB THR A 1 1.652 -0.309 -2.132 1.00 0.00 H ATOM 13 HG1 THR A 1 1.728 -2.550 -2.015 1.00 0.00 H ATOM 14 1HG2 THR A 1 3.907 -1.299 -2.072 1.00 0.00 H ATOM 15 2HG2 THR A 1 3.884 0.281 -1.252 1.00 0.00 H ATOM 16 3HG2 THR A 1 3.900 -1.219 -0.295 1.00 0.00 H ATOM 17 N GLU A 2 2.536 1.845 1.143 1.00 0.00 N ATOM 18 CA GLU A 2 3.008 3.214 1.307 1.00 0.00 C ATOM 19 C GLU A 2 4.170 3.513 0.368 1.00 0.00 C ATOM 20 O GLU A 2 4.317 4.633 -0.119 1.00 0.00 O ATOM 21 CB GLU A 2 3.433 3.462 2.756 1.00 0.00 C ATOM 22 CG GLU A 2 2.295 3.400 3.764 1.00 0.00 C ATOM 23 CD GLU A 2 1.910 1.992 4.125 1.00 0.00 C ATOM 24 OE1 GLU A 2 2.519 1.081 3.619 1.00 0.00 O ATOM 25 OE2 GLU A 2 1.004 1.827 4.908 1.00 0.00 O ATOM 26 H GLU A 2 2.612 1.203 1.919 1.00 0.00 H ATOM 27 HA GLU A 2 2.188 3.894 1.074 1.00 0.00 H ATOM 28 1HB GLU A 2 4.180 2.723 3.047 1.00 0.00 H ATOM 29 2HB GLU A 2 3.897 4.445 2.836 1.00 0.00 H ATOM 30 1HG GLU A 2 2.597 3.925 4.670 1.00 0.00 H ATOM 31 2HG GLU A 2 1.429 3.914 3.351 1.00 0.00 H ATOM 32 N GLU A 3 4.996 2.502 0.118 1.00 0.00 N ATOM 33 CA GLU A 3 6.186 2.671 -0.710 1.00 0.00 C ATOM 34 C GLU A 3 5.816 3.101 -2.123 1.00 0.00 C ATOM 35 O GLU A 3 6.487 3.942 -2.722 1.00 0.00 O ATOM 36 CB GLU A 3 6.993 1.371 -0.756 1.00 0.00 C ATOM 37 CG GLU A 3 7.649 0.992 0.564 1.00 0.00 C ATOM 38 CD GLU A 3 8.348 -0.338 0.508 1.00 0.00 C ATOM 39 OE1 GLU A 3 8.187 -1.032 -0.467 1.00 0.00 O ATOM 40 OE2 GLU A 3 9.043 -0.661 1.443 1.00 0.00 O ATOM 41 H GLU A 3 4.795 1.593 0.510 1.00 0.00 H ATOM 42 HA GLU A 3 6.812 3.443 -0.261 1.00 0.00 H ATOM 43 1HB GLU A 3 6.342 0.549 -1.054 1.00 0.00 H ATOM 44 2HB GLU A 3 7.777 1.457 -1.508 1.00 0.00 H ATOM 45 1HG GLU A 3 8.375 1.759 0.830 1.00 0.00 H ATOM 46 2HG GLU A 3 6.888 0.965 1.342 1.00 0.00 H ATOM 47 N LEU A 4 4.747 2.517 -2.653 1.00 0.00 N ATOM 48 CA LEU A 4 4.323 2.791 -4.021 1.00 0.00 C ATOM 49 C LEU A 4 3.626 4.140 -4.122 1.00 0.00 C ATOM 50 O LEU A 4 3.703 4.816 -5.148 1.00 0.00 O ATOM 51 CB LEU A 4 3.384 1.685 -4.518 1.00 0.00 C ATOM 52 CG LEU A 4 4.038 0.321 -4.772 1.00 0.00 C ATOM 53 CD1 LEU A 4 2.965 -0.699 -5.130 1.00 0.00 C ATOM 54 CD2 LEU A 4 5.064 0.449 -5.887 1.00 0.00 C ATOM 55 H LEU A 4 4.213 1.867 -2.094 1.00 0.00 H ATOM 56 HA LEU A 4 5.208 2.806 -4.661 1.00 0.00 H ATOM 57 1HB LEU A 4 2.595 1.542 -3.781 1.00 0.00 H ATOM 58 2HB LEU A 4 2.926 2.011 -5.452 1.00 0.00 H ATOM 59 HG LEU A 4 4.532 -0.021 -3.862 1.00 0.00 H ATOM 60 1HD1 LEU A 4 3.430 -1.668 -5.310 1.00 0.00 H ATOM 61 2HD1 LEU A 4 2.256 -0.784 -4.306 1.00 0.00 H ATOM 62 3HD1 LEU A 4 2.441 -0.375 -6.029 1.00 0.00 H ATOM 63 1HD2 LEU A 4 5.530 -0.520 -6.067 1.00 0.00 H ATOM 64 2HD2 LEU A 4 4.571 0.789 -6.798 1.00 0.00 H ATOM 65 3HD2 LEU A 4 5.829 1.170 -5.598 1.00 0.00 H ATOM 66 N ILE A 5 2.942 4.529 -3.050 1.00 0.00 N ATOM 67 CA ILE A 5 2.257 5.815 -3.003 1.00 0.00 C ATOM 68 C ILE A 5 3.250 6.969 -3.056 1.00 0.00 C ATOM 69 O ILE A 5 3.082 7.910 -3.833 1.00 0.00 O ATOM 70 CB ILE A 5 1.398 5.933 -1.731 1.00 0.00 C ATOM 71 CG1 ILE A 5 0.237 4.936 -1.775 1.00 0.00 C ATOM 72 CG2 ILE A 5 0.877 7.353 -1.571 1.00 0.00 C ATOM 73 CD1 ILE A 5 -0.518 4.819 -0.471 1.00 0.00 C ATOM 74 H ILE A 5 2.896 3.916 -2.248 1.00 0.00 H ATOM 75 HA ILE A 5 1.593 5.885 -3.865 1.00 0.00 H ATOM 76 HB ILE A 5 2.000 5.678 -0.860 1.00 0.00 H ATOM 77 1HG1 ILE A 5 -0.466 5.230 -2.553 1.00 0.00 H ATOM 78 2HG1 ILE A 5 0.617 3.948 -2.037 1.00 0.00 H ATOM 79 1HG2 ILE A 5 0.271 7.419 -0.668 1.00 0.00 H ATOM 80 2HG2 ILE A 5 1.717 8.043 -1.496 1.00 0.00 H ATOM 81 3HG2 ILE A 5 0.268 7.617 -2.436 1.00 0.00 H ATOM 82 1HD1 ILE A 5 -1.324 4.094 -0.581 1.00 0.00 H ATOM 83 2HD1 ILE A 5 0.161 4.490 0.315 1.00 0.00 H ATOM 84 3HD1 ILE A 5 -0.938 5.789 -0.207 1.00 0.00 H ATOM 85 N GLU A 6 4.284 6.893 -2.225 1.00 0.00 N ATOM 86 CA GLU A 6 5.286 7.948 -2.149 1.00 0.00 C ATOM 87 C GLU A 6 6.066 8.062 -3.453 1.00 0.00 C ATOM 88 O GLU A 6 6.408 9.161 -3.889 1.00 0.00 O ATOM 89 CB GLU A 6 6.249 7.687 -0.989 1.00 0.00 C ATOM 90 CG GLU A 6 7.174 8.851 -0.665 1.00 0.00 C ATOM 91 CD GLU A 6 6.453 10.018 -0.049 1.00 0.00 C ATOM 92 OE1 GLU A 6 5.448 9.803 0.585 1.00 0.00 O ATOM 93 OE2 GLU A 6 6.907 11.125 -0.213 1.00 0.00 O ATOM 94 H GLU A 6 4.378 6.081 -1.630 1.00 0.00 H ATOM 95 HA GLU A 6 4.777 8.895 -1.963 1.00 0.00 H ATOM 96 1HB GLU A 6 5.679 7.452 -0.089 1.00 0.00 H ATOM 97 2HB GLU A 6 6.869 6.821 -1.219 1.00 0.00 H ATOM 98 1HG GLU A 6 7.943 8.509 0.026 1.00 0.00 H ATOM 99 2HG GLU A 6 7.666 9.176 -1.581 1.00 0.00 H ATOM 100 N GLU A 7 6.344 6.920 -4.071 1.00 0.00 N ATOM 101 CA GLU A 7 7.104 6.888 -5.315 1.00 0.00 C ATOM 102 C GLU A 7 6.322 7.523 -6.457 1.00 0.00 C ATOM 103 O GLU A 7 6.875 8.275 -7.259 1.00 0.00 O ATOM 104 CB GLU A 7 7.473 5.447 -5.677 1.00 0.00 C ATOM 105 CG GLU A 7 8.281 5.308 -6.959 1.00 0.00 C ATOM 106 CD GLU A 7 9.653 5.914 -6.856 1.00 0.00 C ATOM 107 OE1 GLU A 7 10.134 6.064 -5.758 1.00 0.00 O ATOM 108 OE2 GLU A 7 10.221 6.227 -7.876 1.00 0.00 O ATOM 109 H GLU A 7 6.020 6.052 -3.670 1.00 0.00 H ATOM 110 HA GLU A 7 8.029 7.447 -5.170 1.00 0.00 H ATOM 111 1HB GLU A 7 8.054 5.006 -4.866 1.00 0.00 H ATOM 112 2HB GLU A 7 6.565 4.855 -5.787 1.00 0.00 H ATOM 113 1HG GLU A 7 8.380 4.250 -7.201 1.00 0.00 H ATOM 114 2HG GLU A 7 7.737 5.788 -7.772 1.00 0.00 H ATOM 115 N PHE A 8 5.031 7.218 -6.524 1.00 0.00 N ATOM 116 CA PHE A 8 4.160 7.790 -7.543 1.00 0.00 C ATOM 117 C PHE A 8 4.067 9.305 -7.401 1.00 0.00 C ATOM 118 O PHE A 8 4.120 10.035 -8.390 1.00 0.00 O ATOM 119 CB PHE A 8 2.761 7.178 -7.455 1.00 0.00 C ATOM 120 CG PHE A 8 1.867 7.542 -8.606 1.00 0.00 C ATOM 121 CD1 PHE A 8 2.083 7.009 -9.868 1.00 0.00 C ATOM 122 CD2 PHE A 8 0.807 8.420 -8.429 1.00 0.00 C ATOM 123 CE1 PHE A 8 1.261 7.343 -10.927 1.00 0.00 C ATOM 124 CE2 PHE A 8 -0.017 8.755 -9.486 1.00 0.00 C ATOM 125 CZ PHE A 8 0.211 8.216 -10.736 1.00 0.00 C ATOM 126 H PHE A 8 4.642 6.571 -5.851 1.00 0.00 H ATOM 127 HA PHE A 8 4.576 7.556 -8.524 1.00 0.00 H ATOM 128 1HB PHE A 8 2.841 6.092 -7.418 1.00 0.00 H ATOM 129 2HB PHE A 8 2.279 7.502 -6.534 1.00 0.00 H ATOM 130 HD1 PHE A 8 2.913 6.317 -10.018 1.00 0.00 H ATOM 131 HD2 PHE A 8 0.628 8.846 -7.442 1.00 0.00 H ATOM 132 HE1 PHE A 8 1.443 6.917 -11.913 1.00 0.00 H ATOM 133 HE2 PHE A 8 -0.846 9.446 -9.334 1.00 0.00 H ATOM 134 HZ PHE A 8 -0.437 8.481 -11.571 1.00 0.00 H ATOM 135 N ILE A 9 3.927 9.769 -6.164 1.00 0.00 N ATOM 136 CA ILE A 9 3.841 11.199 -5.889 1.00 0.00 C ATOM 137 C ILE A 9 5.089 11.929 -6.367 1.00 0.00 C ATOM 138 O ILE A 9 5.000 12.948 -7.052 1.00 0.00 O ATOM 139 CB ILE A 9 3.639 11.457 -4.385 1.00 0.00 C ATOM 140 CG1 ILE A 9 2.264 10.957 -3.937 1.00 0.00 C ATOM 141 CG2 ILE A 9 3.799 12.937 -4.073 1.00 0.00 C ATOM 142 CD1 ILE A 9 2.103 10.874 -2.436 1.00 0.00 C ATOM 143 H ILE A 9 3.880 9.117 -5.395 1.00 0.00 H ATOM 144 HA ILE A 9 2.976 11.601 -6.418 1.00 0.00 H ATOM 145 HB ILE A 9 4.380 10.894 -3.817 1.00 0.00 H ATOM 146 1HG1 ILE A 9 1.491 11.619 -4.327 1.00 0.00 H ATOM 147 2HG1 ILE A 9 2.084 9.965 -4.353 1.00 0.00 H ATOM 148 1HG2 ILE A 9 3.652 13.102 -3.006 1.00 0.00 H ATOM 149 2HG2 ILE A 9 4.798 13.263 -4.357 1.00 0.00 H ATOM 150 3HG2 ILE A 9 3.058 13.509 -4.634 1.00 0.00 H ATOM 151 1HD1 ILE A 9 1.103 10.512 -2.196 1.00 0.00 H ATOM 152 2HD1 ILE A 9 2.845 10.188 -2.027 1.00 0.00 H ATOM 153 3HD1 ILE A 9 2.244 11.863 -2.000 1.00 0.00 H ATOM 154 N ARG A 10 6.253 11.402 -6.002 1.00 0.00 N ATOM 155 CA ARG A 10 7.522 12.020 -6.368 1.00 0.00 C ATOM 156 C ARG A 10 7.706 12.048 -7.879 1.00 0.00 C ATOM 157 O ARG A 10 8.246 13.007 -8.431 1.00 0.00 O ATOM 158 CB ARG A 10 8.685 11.271 -5.733 1.00 0.00 C ATOM 159 CG ARG A 10 10.056 11.866 -6.010 1.00 0.00 C ATOM 160 CD ARG A 10 10.084 13.328 -5.748 1.00 0.00 C ATOM 161 NE ARG A 10 9.631 13.647 -4.404 1.00 0.00 N ATOM 162 CZ ARG A 10 9.199 14.861 -4.010 1.00 0.00 C ATOM 163 NH1 ARG A 10 9.165 15.857 -4.868 1.00 0.00 N ATOM 164 NH2 ARG A 10 8.807 15.050 -2.762 1.00 0.00 N ATOM 165 H ARG A 10 6.259 10.552 -5.457 1.00 0.00 H ATOM 166 HA ARG A 10 7.528 13.045 -5.995 1.00 0.00 H ATOM 167 1HB ARG A 10 8.551 11.241 -4.652 1.00 0.00 H ATOM 168 2HB ARG A 10 8.693 10.242 -6.091 1.00 0.00 H ATOM 169 1HG ARG A 10 10.796 11.389 -5.367 1.00 0.00 H ATOM 170 2HG ARG A 10 10.321 11.699 -7.054 1.00 0.00 H ATOM 171 1HD ARG A 10 11.102 13.699 -5.862 1.00 0.00 H ATOM 172 2HD ARG A 10 9.431 13.837 -6.457 1.00 0.00 H ATOM 173 HE ARG A 10 9.642 12.906 -3.716 1.00 0.00 H ATOM 174 1HH1 ARG A 10 9.465 15.712 -5.822 1.00 0.00 H ATOM 175 2HH1 ARG A 10 8.841 16.767 -4.573 1.00 0.00 H ATOM 176 1HH2 ARG A 10 8.833 14.284 -2.103 1.00 0.00 H ATOM 177 2HH2 ARG A 10 8.483 15.959 -2.467 1.00 0.00 H ATOM 178 N HIS A 11 7.253 10.991 -8.544 1.00 0.00 N ATOM 179 CA HIS A 11 7.344 10.904 -9.997 1.00 0.00 C ATOM 180 C HIS A 11 6.585 12.042 -10.666 1.00 0.00 C ATOM 181 O HIS A 11 7.135 12.763 -11.498 1.00 0.00 O ATOM 182 CB HIS A 11 6.801 9.560 -10.494 1.00 0.00 C ATOM 183 CG HIS A 11 6.965 9.352 -11.968 1.00 0.00 C ATOM 184 ND1 HIS A 11 8.189 9.098 -12.551 1.00 0.00 N ATOM 185 CD2 HIS A 11 6.062 9.362 -12.976 1.00 0.00 C ATOM 186 CE1 HIS A 11 8.030 8.960 -13.856 1.00 0.00 C ATOM 187 NE2 HIS A 11 6.749 9.116 -14.139 1.00 0.00 N ATOM 188 H HIS A 11 6.834 10.229 -8.031 1.00 0.00 H ATOM 189 HA HIS A 11 8.395 10.968 -10.282 1.00 0.00 H ATOM 190 1HB HIS A 11 7.312 8.747 -9.976 1.00 0.00 H ATOM 191 2HB HIS A 11 5.741 9.485 -10.255 1.00 0.00 H ATOM 192 HD1 HIS A 11 9.054 8.953 -12.071 1.00 0.00 H ATOM 193 HD2 HIS A 11 4.983 9.520 -13.002 1.00 0.00 H ATOM 194 HE1 HIS A 11 8.884 8.752 -14.501 1.00 0.00 H ATOM 195 N LEU A 12 5.317 12.197 -10.299 1.00 0.00 N ATOM 196 CA LEU A 12 4.463 13.211 -10.906 1.00 0.00 C ATOM 197 C LEU A 12 5.013 14.611 -10.661 1.00 0.00 C ATOM 198 O LEU A 12 4.999 15.458 -11.555 1.00 0.00 O ATOM 199 CB LEU A 12 3.039 13.109 -10.346 1.00 0.00 C ATOM 200 CG LEU A 12 2.073 12.224 -11.144 1.00 0.00 C ATOM 201 CD1 LEU A 12 2.720 10.870 -11.403 1.00 0.00 C ATOM 202 CD2 LEU A 12 0.771 12.069 -10.372 1.00 0.00 C ATOM 203 H LEU A 12 4.936 11.597 -9.582 1.00 0.00 H ATOM 204 HA LEU A 12 4.423 13.033 -11.981 1.00 0.00 H ATOM 205 1HB LEU A 12 3.092 12.712 -9.333 1.00 0.00 H ATOM 206 2HB LEU A 12 2.611 14.110 -10.300 1.00 0.00 H ATOM 207 HG LEU A 12 1.869 12.686 -12.110 1.00 0.00 H ATOM 208 1HD1 LEU A 12 2.033 10.241 -11.970 1.00 0.00 H ATOM 209 2HD1 LEU A 12 3.638 11.009 -11.973 1.00 0.00 H ATOM 210 3HD1 LEU A 12 2.950 10.389 -10.453 1.00 0.00 H ATOM 211 1HD2 LEU A 12 0.084 11.441 -10.940 1.00 0.00 H ATOM 212 2HD2 LEU A 12 0.973 11.605 -9.406 1.00 0.00 H ATOM 213 3HD2 LEU A 12 0.321 13.050 -10.217 1.00 0.00 H ATOM 214 N LEU A 13 5.495 14.848 -9.446 1.00 0.00 N ATOM 215 CA LEU A 13 6.028 16.154 -9.076 1.00 0.00 C ATOM 216 C LEU A 13 7.338 16.441 -9.800 1.00 0.00 C ATOM 217 O LEU A 13 7.620 17.582 -10.162 1.00 0.00 O ATOM 218 CB LEU A 13 6.250 16.226 -7.559 1.00 0.00 C ATOM 219 CG LEU A 13 4.985 16.123 -6.697 1.00 0.00 C ATOM 220 CD1 LEU A 13 5.379 15.976 -5.233 1.00 0.00 C ATOM 221 CD2 LEU A 13 4.122 17.357 -6.910 1.00 0.00 C ATOM 222 H LEU A 13 5.492 14.106 -8.762 1.00 0.00 H ATOM 223 HA LEU A 13 5.301 16.917 -9.355 1.00 0.00 H ATOM 224 1HB LEU A 13 6.917 15.418 -7.267 1.00 0.00 H ATOM 225 2HB LEU A 13 6.735 17.173 -7.323 1.00 0.00 H ATOM 226 HG LEU A 13 4.423 15.233 -6.982 1.00 0.00 H ATOM 227 1HD1 LEU A 13 4.480 15.902 -4.621 1.00 0.00 H ATOM 228 2HD1 LEU A 13 5.979 15.075 -5.106 1.00 0.00 H ATOM 229 3HD1 LEU A 13 5.958 16.845 -4.924 1.00 0.00 H ATOM 230 1HD2 LEU A 13 3.223 17.283 -6.298 1.00 0.00 H ATOM 231 2HD2 LEU A 13 4.683 18.247 -6.625 1.00 0.00 H ATOM 232 3HD2 LEU A 13 3.841 17.428 -7.961 1.00 0.00 H ATOM 233 N ARG A 14 8.133 15.396 -10.007 1.00 0.00 N ATOM 234 CA ARG A 14 9.415 15.534 -10.688 1.00 0.00 C ATOM 235 C ARG A 14 9.222 15.883 -12.159 1.00 0.00 C ATOM 236 O ARG A 14 9.985 16.662 -12.728 1.00 0.00 O ATOM 237 CB ARG A 14 10.222 14.249 -10.576 1.00 0.00 C ATOM 238 CG ARG A 14 11.577 14.283 -11.264 1.00 0.00 C ATOM 239 CD ARG A 14 12.502 15.243 -10.610 1.00 0.00 C ATOM 240 NE ARG A 14 13.779 15.322 -11.301 1.00 0.00 N ATOM 241 CZ ARG A 14 14.028 16.118 -12.359 1.00 0.00 C ATOM 242 NH1 ARG A 14 13.081 16.894 -12.835 1.00 0.00 N ATOM 243 NH2 ARG A 14 15.226 16.117 -12.918 1.00 0.00 N ATOM 244 H ARG A 14 7.843 14.485 -9.683 1.00 0.00 H ATOM 245 HA ARG A 14 9.978 16.336 -10.210 1.00 0.00 H ATOM 246 1HB ARG A 14 10.391 14.017 -9.525 1.00 0.00 H ATOM 247 2HB ARG A 14 9.653 13.424 -11.005 1.00 0.00 H ATOM 248 1HG ARG A 14 12.029 13.291 -11.227 1.00 0.00 H ATOM 249 2HG ARG A 14 11.449 14.584 -12.305 1.00 0.00 H ATOM 250 1HD ARG A 14 12.053 16.236 -10.608 1.00 0.00 H ATOM 251 2HD ARG A 14 12.688 14.927 -9.584 1.00 0.00 H ATOM 252 HE ARG A 14 14.533 14.739 -10.963 1.00 0.00 H ATOM 253 1HH1 ARG A 14 12.165 16.895 -12.408 1.00 0.00 H ATOM 254 2HH1 ARG A 14 13.268 17.491 -13.628 1.00 0.00 H ATOM 255 1HH2 ARG A 14 15.955 15.520 -12.552 1.00 0.00 H ATOM 256 2HH2 ARG A 14 15.413 16.713 -13.711 1.00 0.00 H ATOM 257 N LEU A 15 8.195 15.300 -12.770 1.00 0.00 N ATOM 258 CA LEU A 15 7.890 15.561 -14.171 1.00 0.00 C ATOM 259 C LEU A 15 7.625 17.042 -14.410 1.00 0.00 C ATOM 260 O LEU A 15 8.088 17.614 -15.398 1.00 0.00 O ATOM 261 CB LEU A 15 6.670 14.740 -14.610 1.00 0.00 C ATOM 262 CG LEU A 15 6.894 13.227 -14.724 1.00 0.00 C ATOM 263 CD1 LEU A 15 5.561 12.534 -14.977 1.00 0.00 C ATOM 264 CD2 LEU A 15 7.879 12.943 -15.848 1.00 0.00 C ATOM 265 H LEU A 15 7.612 14.660 -12.250 1.00 0.00 H ATOM 266 HA LEU A 15 8.745 15.257 -14.775 1.00 0.00 H ATOM 267 1HB LEU A 15 5.866 14.903 -13.894 1.00 0.00 H ATOM 268 2HB LEU A 15 6.341 15.101 -15.584 1.00 0.00 H ATOM 269 HG LEU A 15 7.295 12.846 -13.785 1.00 0.00 H ATOM 270 1HD1 LEU A 15 5.720 11.459 -15.058 1.00 0.00 H ATOM 271 2HD1 LEU A 15 4.883 12.738 -14.148 1.00 0.00 H ATOM 272 3HD1 LEU A 15 5.127 12.907 -15.903 1.00 0.00 H ATOM 273 1HD2 LEU A 15 8.039 11.867 -15.929 1.00 0.00 H ATOM 274 2HD2 LEU A 15 7.478 13.322 -16.788 1.00 0.00 H ATOM 275 3HD2 LEU A 15 8.828 13.435 -15.633 1.00 0.00 H ATOM 276 N GLY A 16 6.878 17.659 -13.502 1.00 0.00 N ATOM 277 CA GLY A 16 6.683 19.104 -13.522 1.00 0.00 C ATOM 278 C GLY A 16 5.508 19.489 -14.411 1.00 0.00 C ATOM 279 O GLY A 16 5.274 20.669 -14.670 1.00 0.00 O ATOM 280 H GLY A 16 6.433 17.113 -12.778 1.00 0.00 H ATOM 281 1HA GLY A 16 6.508 19.462 -12.507 1.00 0.00 H ATOM 282 2HA GLY A 16 7.590 19.588 -13.881 1.00 0.00 H ATOM 283 N ARG A 17 4.773 18.486 -14.879 1.00 0.00 N ATOM 284 CA ARG A 17 3.618 18.718 -15.738 1.00 0.00 C ATOM 285 C ARG A 17 2.345 18.161 -15.113 1.00 0.00 C ATOM 286 O ARG A 17 2.397 17.266 -14.269 1.00 0.00 O ATOM 287 CB ARG A 17 3.831 18.080 -17.103 1.00 0.00 C ATOM 288 CG ARG A 17 3.925 16.563 -17.092 1.00 0.00 C ATOM 289 CD ARG A 17 4.325 16.028 -18.418 1.00 0.00 C ATOM 290 NE ARG A 17 4.463 14.580 -18.401 1.00 0.00 N ATOM 291 CZ ARG A 17 3.447 13.713 -18.579 1.00 0.00 C ATOM 292 NH1 ARG A 17 2.229 14.161 -18.787 1.00 0.00 N ATOM 293 NH2 ARG A 17 3.675 12.412 -18.545 1.00 0.00 N ATOM 294 H ARG A 17 5.020 17.538 -14.632 1.00 0.00 H ATOM 295 HA ARG A 17 3.499 19.794 -15.875 1.00 0.00 H ATOM 296 1HB ARG A 17 3.010 18.354 -17.764 1.00 0.00 H ATOM 297 2HB ARG A 17 4.750 18.465 -17.545 1.00 0.00 H ATOM 298 1HG ARG A 17 4.668 16.250 -16.358 1.00 0.00 H ATOM 299 2HG ARG A 17 2.955 16.139 -16.830 1.00 0.00 H ATOM 300 1HD ARG A 17 3.570 16.289 -19.159 1.00 0.00 H ATOM 301 2HD ARG A 17 5.283 16.457 -18.710 1.00 0.00 H ATOM 302 HE ARG A 17 5.385 14.197 -18.243 1.00 0.00 H ATOM 303 1HH1 ARG A 17 2.054 15.156 -18.813 1.00 0.00 H ATOM 304 2HH1 ARG A 17 1.468 13.512 -18.921 1.00 0.00 H ATOM 305 1HH2 ARG A 17 4.612 12.067 -18.385 1.00 0.00 H ATOM 306 2HH2 ARG A 17 2.915 11.762 -18.678 1.00 0.00 H ATOM 307 N GLU A 18 1.203 18.696 -15.532 1.00 0.00 N ATOM 308 CA GLU A 18 -0.088 18.222 -15.048 1.00 0.00 C ATOM 309 C GLU A 18 -0.460 16.890 -15.685 1.00 0.00 C ATOM 310 O GLU A 18 -0.183 16.654 -16.861 1.00 0.00 O ATOM 311 CB GLU A 18 -1.178 19.257 -15.333 1.00 0.00 C ATOM 312 CG GLU A 18 -1.551 19.388 -16.803 1.00 0.00 C ATOM 313 CD GLU A 18 -0.627 20.298 -17.562 1.00 0.00 C ATOM 314 OE1 GLU A 18 0.416 20.620 -17.046 1.00 0.00 O ATOM 315 OE2 GLU A 18 -0.964 20.672 -18.661 1.00 0.00 O ATOM 316 H GLU A 18 1.230 19.449 -16.204 1.00 0.00 H ATOM 317 HA GLU A 18 -0.023 18.088 -13.967 1.00 0.00 H ATOM 318 1HB GLU A 18 -2.080 18.997 -14.780 1.00 0.00 H ATOM 319 2HB GLU A 18 -0.850 20.236 -14.983 1.00 0.00 H ATOM 320 1HG GLU A 18 -1.528 18.400 -17.262 1.00 0.00 H ATOM 321 2HG GLU A 18 -2.569 19.769 -16.875 1.00 0.00 H ATOM 322 N VAL A 19 -1.091 16.021 -14.902 1.00 0.00 N ATOM 323 CA VAL A 19 -1.571 14.740 -15.409 1.00 0.00 C ATOM 324 C VAL A 19 -3.005 14.476 -14.968 1.00 0.00 C ATOM 325 O VAL A 19 -3.501 15.098 -14.029 1.00 0.00 O ATOM 326 CB VAL A 19 -0.666 13.596 -14.913 1.00 0.00 C ATOM 327 CG1 VAL A 19 0.762 13.799 -15.397 1.00 0.00 C ATOM 328 CG2 VAL A 19 -0.716 13.517 -13.395 1.00 0.00 C ATOM 329 H VAL A 19 -1.242 16.253 -13.930 1.00 0.00 H ATOM 330 HA VAL A 19 -1.538 14.766 -16.498 1.00 0.00 H ATOM 331 HB VAL A 19 -1.019 12.657 -15.339 1.00 0.00 H ATOM 332 1HG1 VAL A 19 1.387 12.982 -15.038 1.00 0.00 H ATOM 333 2HG1 VAL A 19 0.778 13.817 -16.487 1.00 0.00 H ATOM 334 3HG1 VAL A 19 1.145 14.744 -15.012 1.00 0.00 H ATOM 335 1HG2 VAL A 19 -0.074 12.706 -13.052 1.00 0.00 H ATOM 336 2HG2 VAL A 19 -0.368 14.459 -12.970 1.00 0.00 H ATOM 337 3HG2 VAL A 19 -1.740 13.330 -13.074 1.00 0.00 H ATOM 338 N THR A 20 -3.667 13.550 -15.654 1.00 0.00 N ATOM 339 CA THR A 20 -4.976 13.072 -15.226 1.00 0.00 C ATOM 340 C THR A 20 -4.986 11.557 -15.072 1.00 0.00 C ATOM 341 O THR A 20 -4.725 10.824 -16.026 1.00 0.00 O ATOM 342 CB THR A 20 -6.074 13.497 -16.219 1.00 0.00 C ATOM 343 OG1 THR A 20 -6.076 14.925 -16.350 1.00 0.00 O ATOM 344 CG2 THR A 20 -7.440 13.035 -15.734 1.00 0.00 C ATOM 345 H THR A 20 -3.253 13.168 -16.492 1.00 0.00 H ATOM 346 HA THR A 20 -5.212 13.523 -14.262 1.00 0.00 H ATOM 347 HB THR A 20 -5.873 13.057 -17.195 1.00 0.00 H ATOM 348 HG1 THR A 20 -5.292 15.202 -16.830 1.00 0.00 H ATOM 349 1HG2 THR A 20 -8.203 13.344 -16.448 1.00 0.00 H ATOM 350 2HG2 THR A 20 -7.445 11.949 -15.644 1.00 0.00 H ATOM 351 3HG2 THR A 20 -7.651 13.480 -14.763 1.00 0.00 H ATOM 352 N LEU A 21 -5.287 11.092 -13.864 1.00 0.00 N ATOM 353 CA LEU A 21 -5.403 9.663 -13.600 1.00 0.00 C ATOM 354 C LEU A 21 -6.584 9.365 -12.685 1.00 0.00 C ATOM 355 O LEU A 21 -6.798 10.056 -11.688 1.00 0.00 O ATOM 356 CB LEU A 21 -4.111 9.135 -12.966 1.00 0.00 C ATOM 357 CG LEU A 21 -2.872 9.146 -13.871 1.00 0.00 C ATOM 358 CD1 LEU A 21 -1.957 10.294 -13.468 1.00 0.00 C ATOM 359 CD2 LEU A 21 -2.153 7.809 -13.764 1.00 0.00 C ATOM 360 H LEU A 21 -5.440 11.746 -13.109 1.00 0.00 H ATOM 361 HA LEU A 21 -5.558 9.147 -14.549 1.00 0.00 H ATOM 362 1HB LEU A 21 -3.884 9.737 -12.087 1.00 0.00 H ATOM 363 2HB LEU A 21 -4.276 8.107 -12.643 1.00 0.00 H ATOM 364 HG LEU A 21 -3.179 9.311 -14.904 1.00 0.00 H ATOM 365 1HD1 LEU A 21 -1.078 10.302 -14.111 1.00 0.00 H ATOM 366 2HD1 LEU A 21 -2.491 11.239 -13.572 1.00 0.00 H ATOM 367 3HD1 LEU A 21 -1.647 10.165 -12.431 1.00 0.00 H ATOM 368 1HD2 LEU A 21 -1.273 7.817 -14.408 1.00 0.00 H ATOM 369 2HD2 LEU A 21 -1.845 7.644 -12.731 1.00 0.00 H ATOM 370 3HD2 LEU A 21 -2.824 7.009 -14.075 1.00 0.00 H ATOM 371 N LEU A 22 -7.349 8.335 -13.029 1.00 0.00 N ATOM 372 CA LEU A 22 -8.508 7.942 -12.237 1.00 0.00 C ATOM 373 C LEU A 22 -9.581 9.023 -12.260 1.00 0.00 C ATOM 374 O LEU A 22 -10.500 9.015 -11.440 1.00 0.00 O ATOM 375 CB LEU A 22 -8.089 7.659 -10.789 1.00 0.00 C ATOM 376 CG LEU A 22 -6.760 6.914 -10.615 1.00 0.00 C ATOM 377 CD1 LEU A 22 -6.511 6.657 -9.134 1.00 0.00 C ATOM 378 CD2 LEU A 22 -6.801 5.610 -11.397 1.00 0.00 C ATOM 379 H LEU A 22 -7.121 7.810 -13.861 1.00 0.00 H ATOM 380 HA LEU A 22 -8.927 7.032 -12.665 1.00 0.00 H ATOM 381 1HB LEU A 22 -8.010 8.606 -10.258 1.00 0.00 H ATOM 382 2HB LEU A 22 -8.868 7.063 -10.312 1.00 0.00 H ATOM 383 HG LEU A 22 -5.944 7.534 -10.987 1.00 0.00 H ATOM 384 1HD1 LEU A 22 -5.566 6.128 -9.010 1.00 0.00 H ATOM 385 2HD1 LEU A 22 -6.467 7.607 -8.602 1.00 0.00 H ATOM 386 3HD1 LEU A 22 -7.321 6.051 -8.730 1.00 0.00 H ATOM 387 1HD2 LEU A 22 -5.856 5.081 -11.273 1.00 0.00 H ATOM 388 2HD2 LEU A 22 -7.616 4.988 -11.024 1.00 0.00 H ATOM 389 3HD2 LEU A 22 -6.962 5.824 -12.453 1.00 0.00 H ATOM 390 N GLY A 23 -9.459 9.951 -13.202 1.00 0.00 N ATOM 391 CA GLY A 23 -10.370 11.087 -13.280 1.00 0.00 C ATOM 392 C GLY A 23 -9.885 12.243 -12.414 1.00 0.00 C ATOM 393 O GLY A 23 -10.535 13.285 -12.333 1.00 0.00 O ATOM 394 H GLY A 23 -8.717 9.868 -13.882 1.00 0.00 H ATOM 395 1HA GLY A 23 -10.455 11.415 -14.317 1.00 0.00 H ATOM 396 2HA GLY A 23 -11.364 10.779 -12.959 1.00 0.00 H ATOM 397 N ILE A 24 -8.740 12.051 -11.768 1.00 0.00 N ATOM 398 CA ILE A 24 -8.174 13.071 -10.893 1.00 0.00 C ATOM 399 C ILE A 24 -7.141 13.914 -11.628 1.00 0.00 C ATOM 400 O ILE A 24 -6.208 13.385 -12.232 1.00 0.00 O ATOM 401 CB ILE A 24 -7.526 12.433 -9.650 1.00 0.00 C ATOM 402 CG1 ILE A 24 -8.567 11.644 -8.851 1.00 0.00 C ATOM 403 CG2 ILE A 24 -6.879 13.499 -8.780 1.00 0.00 C ATOM 404 CD1 ILE A 24 -7.968 10.694 -7.839 1.00 0.00 C ATOM 405 H ILE A 24 -8.249 11.176 -11.884 1.00 0.00 H ATOM 406 HA ILE A 24 -8.980 13.723 -10.554 1.00 0.00 H ATOM 407 HB ILE A 24 -6.763 11.721 -9.964 1.00 0.00 H ATOM 408 1HG1 ILE A 24 -9.222 12.336 -8.324 1.00 0.00 H ATOM 409 2HG1 ILE A 24 -9.188 11.064 -9.535 1.00 0.00 H ATOM 410 1HG2 ILE A 24 -6.426 13.031 -7.907 1.00 0.00 H ATOM 411 2HG2 ILE A 24 -6.111 14.018 -9.352 1.00 0.00 H ATOM 412 3HG2 ILE A 24 -7.636 14.214 -8.457 1.00 0.00 H ATOM 413 1HD1 ILE A 24 -8.767 10.171 -7.314 1.00 0.00 H ATOM 414 2HD1 ILE A 24 -7.335 9.968 -8.351 1.00 0.00 H ATOM 415 3HD1 ILE A 24 -7.370 11.256 -7.123 1.00 0.00 H ATOM 416 N LYS A 25 -7.311 15.231 -11.572 1.00 0.00 N ATOM 417 CA LYS A 25 -6.318 16.156 -12.106 1.00 0.00 C ATOM 418 C LYS A 25 -5.292 16.534 -11.046 1.00 0.00 C ATOM 419 O LYS A 25 -5.647 16.981 -9.956 1.00 0.00 O ATOM 420 CB LYS A 25 -6.997 17.413 -12.653 1.00 0.00 C ATOM 421 CG LYS A 25 -6.044 18.414 -13.294 1.00 0.00 C ATOM 422 CD LYS A 25 -6.800 19.593 -13.888 1.00 0.00 C ATOM 423 CE LYS A 25 -5.851 20.586 -14.543 1.00 0.00 C ATOM 424 NZ LYS A 25 -6.577 21.738 -15.143 1.00 0.00 N ATOM 425 H LYS A 25 -8.151 15.601 -11.150 1.00 0.00 H ATOM 426 HA LYS A 25 -5.803 15.669 -12.936 1.00 0.00 H ATOM 427 1HB LYS A 25 -7.738 17.131 -13.401 1.00 0.00 H ATOM 428 2HB LYS A 25 -7.524 17.923 -11.846 1.00 0.00 H ATOM 429 1HG LYS A 25 -5.344 18.782 -12.544 1.00 0.00 H ATOM 430 2HG LYS A 25 -5.477 17.922 -14.084 1.00 0.00 H ATOM 431 1HD LYS A 25 -7.508 19.233 -14.635 1.00 0.00 H ATOM 432 2HD LYS A 25 -7.356 20.102 -13.101 1.00 0.00 H ATOM 433 1HE LYS A 25 -5.149 20.963 -13.800 1.00 0.00 H ATOM 434 2HE LYS A 25 -5.282 20.085 -15.325 1.00 0.00 H ATOM 435 1HZ LYS A 25 -5.914 22.372 -15.566 1.00 0.00 H ATOM 436 2HZ LYS A 25 -7.218 21.402 -15.848 1.00 0.00 H ATOM 437 3HZ LYS A 25 -7.093 22.223 -14.423 1.00 0.00 H ATOM 438 N ILE A 26 -4.017 16.352 -11.374 1.00 0.00 N ATOM 439 CA ILE A 26 -2.939 16.613 -10.427 1.00 0.00 C ATOM 440 C ILE A 26 -2.036 17.738 -10.918 1.00 0.00 C ATOM 441 O ILE A 26 -1.475 17.664 -12.012 1.00 0.00 O ATOM 442 CB ILE A 26 -2.099 15.346 -10.188 1.00 0.00 C ATOM 443 CG1 ILE A 26 -2.979 14.216 -9.648 1.00 0.00 C ATOM 444 CG2 ILE A 26 -0.955 15.639 -9.229 1.00 0.00 C ATOM 445 CD1 ILE A 26 -3.398 13.213 -10.699 1.00 0.00 C ATOM 446 H ILE A 26 -3.789 16.025 -12.301 1.00 0.00 H ATOM 447 HA ILE A 26 -3.379 16.910 -9.474 1.00 0.00 H ATOM 448 HB ILE A 26 -1.686 14.999 -11.135 1.00 0.00 H ATOM 449 1HG1 ILE A 26 -2.445 13.683 -8.862 1.00 0.00 H ATOM 450 2HG1 ILE A 26 -3.880 14.637 -9.202 1.00 0.00 H ATOM 451 1HG2 ILE A 26 -0.372 14.732 -9.071 1.00 0.00 H ATOM 452 2HG2 ILE A 26 -0.315 16.413 -9.652 1.00 0.00 H ATOM 453 3HG2 ILE A 26 -1.358 15.982 -8.276 1.00 0.00 H ATOM 454 1HD1 ILE A 26 -4.019 12.443 -10.240 1.00 0.00 H ATOM 455 2HD1 ILE A 26 -3.966 13.720 -11.480 1.00 0.00 H ATOM 456 3HD1 ILE A 26 -2.513 12.751 -11.135 1.00 0.00 H ATOM 457 N THR A 27 -1.899 18.778 -10.104 1.00 0.00 N ATOM 458 CA THR A 27 -1.018 19.895 -10.428 1.00 0.00 C ATOM 459 C THR A 27 -0.065 20.196 -9.277 1.00 0.00 C ATOM 460 O THR A 27 0.973 20.828 -9.468 1.00 0.00 O ATOM 461 CB THR A 27 -1.828 21.158 -10.773 1.00 0.00 C ATOM 462 OG1 THR A 27 -2.536 21.607 -9.610 1.00 0.00 O ATOM 463 CG2 THR A 27 -2.821 20.867 -11.887 1.00 0.00 C ATOM 464 H THR A 27 -2.418 18.798 -9.238 1.00 0.00 H ATOM 465 HA THR A 27 -0.431 19.627 -11.307 1.00 0.00 H ATOM 466 HB THR A 27 -1.150 21.948 -11.096 1.00 0.00 H ATOM 467 HG1 THR A 27 -1.932 22.073 -9.028 1.00 0.00 H ATOM 468 1HG2 THR A 27 -3.385 21.771 -12.118 1.00 0.00 H ATOM 469 2HG2 THR A 27 -2.285 20.536 -12.776 1.00 0.00 H ATOM 470 3HG2 THR A 27 -3.508 20.085 -11.566 1.00 0.00 H ATOM 471 N THR A 28 -0.425 19.738 -8.082 1.00 0.00 N ATOM 472 CA THR A 28 0.341 20.049 -6.881 1.00 0.00 C ATOM 473 C THR A 28 0.510 18.817 -6.002 1.00 0.00 C ATOM 474 O THR A 28 0.138 17.710 -6.390 1.00 0.00 O ATOM 475 CB THR A 28 -0.330 21.174 -6.072 1.00 0.00 C ATOM 476 OG1 THR A 28 0.546 21.597 -5.019 1.00 0.00 O ATOM 477 CG2 THR A 28 -1.641 20.691 -5.472 1.00 0.00 C ATOM 478 H THR A 28 -1.250 19.160 -8.005 1.00 0.00 H ATOM 479 HA THR A 28 1.327 20.403 -7.181 1.00 0.00 H ATOM 480 HB THR A 28 -0.528 22.024 -6.725 1.00 0.00 H ATOM 481 HG1 THR A 28 1.183 22.226 -5.366 1.00 0.00 H ATOM 482 1HG2 THR A 28 -2.102 21.499 -4.903 1.00 0.00 H ATOM 483 2HG2 THR A 28 -2.314 20.379 -6.270 1.00 0.00 H ATOM 484 3HG2 THR A 28 -1.449 19.847 -4.810 1.00 0.00 H ATOM 485 N GLU A 29 1.074 19.016 -4.816 1.00 0.00 N ATOM 486 CA GLU A 29 1.439 17.905 -3.945 1.00 0.00 C ATOM 487 C GLU A 29 0.208 17.282 -3.302 1.00 0.00 C ATOM 488 O GLU A 29 0.149 16.069 -3.097 1.00 0.00 O ATOM 489 CB GLU A 29 2.411 18.374 -2.860 1.00 0.00 C ATOM 490 CG GLU A 29 3.752 18.867 -3.387 1.00 0.00 C ATOM 491 CD GLU A 29 4.688 19.298 -2.293 1.00 0.00 C ATOM 492 OE1 GLU A 29 4.259 19.375 -1.166 1.00 0.00 O ATOM 493 OE2 GLU A 29 5.834 19.550 -2.583 1.00 0.00 O ATOM 494 H GLU A 29 1.255 19.961 -4.509 1.00 0.00 H ATOM 495 HA GLU A 29 1.943 17.145 -4.545 1.00 0.00 H ATOM 496 1HB GLU A 29 1.957 19.186 -2.291 1.00 0.00 H ATOM 497 2HB GLU A 29 2.605 17.556 -2.166 1.00 0.00 H ATOM 498 1HG GLU A 29 4.222 18.067 -3.958 1.00 0.00 H ATOM 499 2HG GLU A 29 3.579 19.704 -4.062 1.00 0.00 H ATOM 500 N GLU A 30 -0.776 18.118 -2.985 1.00 0.00 N ATOM 501 CA GLU A 30 -1.999 17.653 -2.341 1.00 0.00 C ATOM 502 C GLU A 30 -2.794 16.739 -3.263 1.00 0.00 C ATOM 503 O GLU A 30 -3.415 15.775 -2.814 1.00 0.00 O ATOM 504 CB GLU A 30 -2.864 18.842 -1.916 1.00 0.00 C ATOM 505 CG GLU A 30 -2.267 19.686 -0.798 1.00 0.00 C ATOM 506 CD GLU A 30 -3.114 20.877 -0.449 1.00 0.00 C ATOM 507 OE1 GLU A 30 -4.051 21.146 -1.162 1.00 0.00 O ATOM 508 OE2 GLU A 30 -2.825 21.519 0.533 1.00 0.00 O ATOM 509 H GLU A 30 -0.673 19.100 -3.195 1.00 0.00 H ATOM 510 HA GLU A 30 -1.727 17.095 -1.444 1.00 0.00 H ATOM 511 1HB GLU A 30 -3.033 19.493 -2.773 1.00 0.00 H ATOM 512 2HB GLU A 30 -3.837 18.483 -1.581 1.00 0.00 H ATOM 513 1HG GLU A 30 -2.150 19.064 0.089 1.00 0.00 H ATOM 514 2HG GLU A 30 -1.278 20.026 -1.103 1.00 0.00 H ATOM 515 N LEU A 31 -2.772 17.046 -4.556 1.00 0.00 N ATOM 516 CA LEU A 31 -3.511 16.267 -5.542 1.00 0.00 C ATOM 517 C LEU A 31 -2.756 14.999 -5.920 1.00 0.00 C ATOM 518 O LEU A 31 -3.361 13.982 -6.259 1.00 0.00 O ATOM 519 CB LEU A 31 -3.770 17.109 -6.797 1.00 0.00 C ATOM 520 CG LEU A 31 -4.682 18.327 -6.605 1.00 0.00 C ATOM 521 CD1 LEU A 31 -4.567 19.244 -7.814 1.00 0.00 C ATOM 522 CD2 LEU A 31 -6.117 17.861 -6.406 1.00 0.00 C ATOM 523 H LEU A 31 -2.229 17.840 -4.863 1.00 0.00 H ATOM 524 HA LEU A 31 -4.472 15.986 -5.111 1.00 0.00 H ATOM 525 1HB LEU A 31 -2.815 17.468 -7.178 1.00 0.00 H ATOM 526 2HB LEU A 31 -4.224 16.472 -7.556 1.00 0.00 H ATOM 527 HG LEU A 31 -4.359 18.889 -5.728 1.00 0.00 H ATOM 528 1HD1 LEU A 31 -5.216 20.110 -7.677 1.00 0.00 H ATOM 529 2HD1 LEU A 31 -3.535 19.578 -7.921 1.00 0.00 H ATOM 530 3HD1 LEU A 31 -4.869 18.704 -8.711 1.00 0.00 H ATOM 531 1HD2 LEU A 31 -6.765 18.726 -6.268 1.00 0.00 H ATOM 532 2HD2 LEU A 31 -6.441 17.300 -7.283 1.00 0.00 H ATOM 533 3HD2 LEU A 31 -6.173 17.221 -5.525 1.00 0.00 H ATOM 534 N ALA A 32 -1.430 15.066 -5.860 1.00 0.00 N ATOM 535 CA ALA A 32 -0.593 13.895 -6.095 1.00 0.00 C ATOM 536 C ALA A 32 -0.848 12.818 -5.049 1.00 0.00 C ATOM 537 O ALA A 32 -0.890 11.629 -5.367 1.00 0.00 O ATOM 538 CB ALA A 32 0.877 14.287 -6.103 1.00 0.00 C ATOM 539 H ALA A 32 -0.991 15.950 -5.648 1.00 0.00 H ATOM 540 HA ALA A 32 -0.831 13.491 -7.079 1.00 0.00 H ATOM 541 1HB ALA A 32 1.489 13.402 -6.279 1.00 0.00 H ATOM 542 2HB ALA A 32 1.056 15.014 -6.894 1.00 0.00 H ATOM 543 3HB ALA A 32 1.142 14.725 -5.142 1.00 0.00 H ATOM 544 N ARG A 33 -1.018 13.239 -3.801 1.00 0.00 N ATOM 545 CA ARG A 33 -1.352 12.319 -2.720 1.00 0.00 C ATOM 546 C ARG A 33 -2.747 11.738 -2.904 1.00 0.00 C ATOM 547 O ARG A 33 -2.977 10.557 -2.642 1.00 0.00 O ATOM 548 CB ARG A 33 -1.272 13.024 -1.374 1.00 0.00 C ATOM 549 CG ARG A 33 -1.719 12.187 -0.186 1.00 0.00 C ATOM 550 CD ARG A 33 -0.740 11.114 0.128 1.00 0.00 C ATOM 551 NE ARG A 33 0.570 11.653 0.453 1.00 0.00 N ATOM 552 CZ ARG A 33 1.651 10.907 0.754 1.00 0.00 C ATOM 553 NH1 ARG A 33 1.562 9.596 0.768 1.00 0.00 N ATOM 554 NH2 ARG A 33 2.801 11.495 1.036 1.00 0.00 N ATOM 555 H ARG A 33 -0.912 14.222 -3.595 1.00 0.00 H ATOM 556 HA ARG A 33 -0.629 11.503 -2.725 1.00 0.00 H ATOM 557 1HB ARG A 33 -0.246 13.339 -1.188 1.00 0.00 H ATOM 558 2HB ARG A 33 -1.891 13.921 -1.396 1.00 0.00 H ATOM 559 1HG ARG A 33 -1.821 12.825 0.692 1.00 0.00 H ATOM 560 2HG ARG A 33 -2.679 11.720 -0.410 1.00 0.00 H ATOM 561 1HD ARG A 33 -1.094 10.538 0.983 1.00 0.00 H ATOM 562 2HD ARG A 33 -0.634 10.455 -0.733 1.00 0.00 H ATOM 563 HE ARG A 33 0.678 12.659 0.453 1.00 0.00 H ATOM 564 1HH1 ARG A 33 0.683 9.147 0.552 1.00 0.00 H ATOM 565 2HH1 ARG A 33 2.372 9.037 0.994 1.00 0.00 H ATOM 566 1HH2 ARG A 33 2.870 12.503 1.026 1.00 0.00 H ATOM 567 2HH2 ARG A 33 3.611 10.936 1.262 1.00 0.00 H ATOM 568 N LEU A 34 -3.677 12.573 -3.354 1.00 0.00 N ATOM 569 CA LEU A 34 -5.053 12.144 -3.570 1.00 0.00 C ATOM 570 C LEU A 34 -5.121 10.977 -4.546 1.00 0.00 C ATOM 571 O LEU A 34 -5.783 9.973 -4.283 1.00 0.00 O ATOM 572 CB LEU A 34 -5.895 13.311 -4.101 1.00 0.00 C ATOM 573 CG LEU A 34 -7.351 12.977 -4.450 1.00 0.00 C ATOM 574 CD1 LEU A 34 -8.089 12.542 -3.191 1.00 0.00 C ATOM 575 CD2 LEU A 34 -8.014 14.192 -5.080 1.00 0.00 C ATOM 576 H LEU A 34 -3.423 13.530 -3.554 1.00 0.00 H ATOM 577 HA LEU A 34 -5.470 11.824 -2.613 1.00 0.00 H ATOM 578 1HB LEU A 34 -5.908 14.100 -3.350 1.00 0.00 H ATOM 579 2HB LEU A 34 -5.420 13.702 -5.000 1.00 0.00 H ATOM 580 HG LEU A 34 -7.375 12.145 -5.154 1.00 0.00 H ATOM 581 1HD1 LEU A 34 -9.123 12.304 -3.439 1.00 0.00 H ATOM 582 2HD1 LEU A 34 -7.605 11.660 -2.772 1.00 0.00 H ATOM 583 3HD1 LEU A 34 -8.068 13.350 -2.460 1.00 0.00 H ATOM 584 1HD2 LEU A 34 -9.049 13.954 -5.329 1.00 0.00 H ATOM 585 2HD2 LEU A 34 -7.993 15.025 -4.376 1.00 0.00 H ATOM 586 3HD2 LEU A 34 -7.478 14.470 -5.987 1.00 0.00 H ATOM 587 N VAL A 35 -4.432 11.115 -5.673 1.00 0.00 N ATOM 588 CA VAL A 35 -4.457 10.097 -6.716 1.00 0.00 C ATOM 589 C VAL A 35 -3.580 8.908 -6.348 1.00 0.00 C ATOM 590 O VAL A 35 -3.925 7.759 -6.627 1.00 0.00 O ATOM 591 CB VAL A 35 -3.976 10.690 -8.054 1.00 0.00 C ATOM 592 CG1 VAL A 35 -2.512 11.094 -7.961 1.00 0.00 C ATOM 593 CG2 VAL A 35 -4.188 9.682 -9.173 1.00 0.00 C ATOM 594 H VAL A 35 -3.876 11.947 -5.811 1.00 0.00 H ATOM 595 HA VAL A 35 -5.484 9.749 -6.837 1.00 0.00 H ATOM 596 HB VAL A 35 -4.547 11.594 -8.266 1.00 0.00 H ATOM 597 1HG1 VAL A 35 -2.189 11.512 -8.915 1.00 0.00 H ATOM 598 2HG1 VAL A 35 -2.391 11.843 -7.179 1.00 0.00 H ATOM 599 3HG1 VAL A 35 -1.907 10.219 -7.726 1.00 0.00 H ATOM 600 1HG2 VAL A 35 -3.846 10.109 -10.116 1.00 0.00 H ATOM 601 2HG2 VAL A 35 -3.622 8.776 -8.958 1.00 0.00 H ATOM 602 3HG2 VAL A 35 -5.248 9.439 -9.249 1.00 0.00 H ATOM 603 N ALA A 36 -2.445 9.189 -5.718 1.00 0.00 N ATOM 604 CA ALA A 36 -1.444 8.164 -5.447 1.00 0.00 C ATOM 605 C ALA A 36 -2.008 7.064 -4.558 1.00 0.00 C ATOM 606 O ALA A 36 -1.720 5.883 -4.756 1.00 0.00 O ATOM 607 CB ALA A 36 -0.212 8.783 -4.805 1.00 0.00 C ATOM 608 H ALA A 36 -2.270 10.138 -5.419 1.00 0.00 H ATOM 609 HA ALA A 36 -1.135 7.723 -6.396 1.00 0.00 H ATOM 610 1HB ALA A 36 0.526 8.006 -4.609 1.00 0.00 H ATOM 611 2HB ALA A 36 0.215 9.527 -5.478 1.00 0.00 H ATOM 612 3HB ALA A 36 -0.492 9.261 -3.867 1.00 0.00 H ATOM 613 N TRP A 37 -2.815 7.458 -3.578 1.00 0.00 N ATOM 614 CA TRP A 37 -3.415 6.506 -2.651 1.00 0.00 C ATOM 615 C TRP A 37 -4.286 5.495 -3.386 1.00 0.00 C ATOM 616 O TRP A 37 -4.145 4.287 -3.199 1.00 0.00 O ATOM 617 CB TRP A 37 -4.252 7.239 -1.602 1.00 0.00 C ATOM 618 CG TRP A 37 -4.956 6.320 -0.649 1.00 0.00 C ATOM 619 CD1 TRP A 37 -4.446 5.786 0.496 1.00 0.00 C ATOM 620 CD2 TRP A 37 -6.312 5.821 -0.755 1.00 0.00 C ATOM 621 NE1 TRP A 37 -5.384 4.992 1.107 1.00 0.00 N ATOM 622 CE2 TRP A 37 -6.533 5.003 0.356 1.00 0.00 C ATOM 623 CE3 TRP A 37 -7.340 6.002 -1.689 1.00 0.00 C ATOM 624 CZ2 TRP A 37 -7.742 4.359 0.563 1.00 0.00 C ATOM 625 CZ3 TRP A 37 -8.553 5.357 -1.480 1.00 0.00 C ATOM 626 CH2 TRP A 37 -8.748 4.557 -0.382 1.00 0.00 C ATOM 627 H TRP A 37 -3.016 8.441 -3.472 1.00 0.00 H ATOM 628 HA TRP A 37 -2.615 5.969 -2.138 1.00 0.00 H ATOM 629 1HB TRP A 37 -3.611 7.905 -1.025 1.00 0.00 H ATOM 630 2HB TRP A 37 -5.001 7.855 -2.099 1.00 0.00 H ATOM 631 HD1 TRP A 37 -3.440 5.964 0.871 1.00 0.00 H ATOM 632 HE1 TRP A 37 -5.252 4.481 1.968 1.00 0.00 H ATOM 633 HE3 TRP A 37 -7.191 6.638 -2.561 1.00 0.00 H ATOM 634 HZ2 TRP A 37 -7.917 3.719 1.429 1.00 0.00 H ATOM 635 HZ3 TRP A 37 -9.348 5.502 -2.212 1.00 0.00 H ATOM 636 HH2 TRP A 37 -9.713 4.066 -0.249 1.00 0.00 H ATOM 637 N LEU A 38 -5.188 5.997 -4.223 1.00 0.00 N ATOM 638 CA LEU A 38 -6.106 5.141 -4.964 1.00 0.00 C ATOM 639 C LEU A 38 -5.399 4.440 -6.116 1.00 0.00 C ATOM 640 O LEU A 38 -5.714 3.297 -6.448 1.00 0.00 O ATOM 641 CB LEU A 38 -7.281 5.966 -5.504 1.00 0.00 C ATOM 642 CG LEU A 38 -8.372 5.172 -6.234 1.00 0.00 C ATOM 643 CD1 LEU A 38 -8.936 4.109 -5.301 1.00 0.00 C ATOM 644 CD2 LEU A 38 -9.463 6.122 -6.704 1.00 0.00 C ATOM 645 H LEU A 38 -5.237 6.998 -4.351 1.00 0.00 H ATOM 646 HA LEU A 38 -6.500 4.385 -4.283 1.00 0.00 H ATOM 647 1HB LEU A 38 -7.751 6.487 -4.671 1.00 0.00 H ATOM 648 2HB LEU A 38 -6.893 6.711 -6.198 1.00 0.00 H ATOM 649 HG LEU A 38 -7.938 4.664 -7.095 1.00 0.00 H ATOM 650 1HD1 LEU A 38 -9.711 3.544 -5.820 1.00 0.00 H ATOM 651 2HD1 LEU A 38 -8.138 3.431 -4.996 1.00 0.00 H ATOM 652 3HD1 LEU A 38 -9.364 4.587 -4.421 1.00 0.00 H ATOM 653 1HD2 LEU A 38 -10.239 5.558 -7.223 1.00 0.00 H ATOM 654 2HD2 LEU A 38 -9.899 6.630 -5.843 1.00 0.00 H ATOM 655 3HD2 LEU A 38 -9.036 6.860 -7.382 1.00 0.00 H ATOM 656 N TRP A 39 -4.441 5.131 -6.724 1.00 0.00 N ATOM 657 CA TRP A 39 -3.727 4.600 -7.879 1.00 0.00 C ATOM 658 C TRP A 39 -3.005 3.305 -7.532 1.00 0.00 C ATOM 659 O TRP A 39 -3.057 2.333 -8.285 1.00 0.00 O ATOM 660 CB TRP A 39 -2.720 5.626 -8.402 1.00 0.00 C ATOM 661 CG TRP A 39 -1.919 5.137 -9.571 1.00 0.00 C ATOM 662 CD1 TRP A 39 -2.301 5.144 -10.879 1.00 0.00 C ATOM 663 CD2 TRP A 39 -0.589 4.565 -9.543 1.00 0.00 C ATOM 664 NE1 TRP A 39 -1.306 4.616 -11.664 1.00 0.00 N ATOM 665 CE2 TRP A 39 -0.250 4.258 -10.864 1.00 0.00 C ATOM 666 CE3 TRP A 39 0.326 4.293 -8.519 1.00 0.00 C ATOM 667 CZ2 TRP A 39 0.969 3.688 -11.194 1.00 0.00 C ATOM 668 CZ3 TRP A 39 1.550 3.723 -8.851 1.00 0.00 C ATOM 669 CH2 TRP A 39 1.862 3.429 -10.155 1.00 0.00 C ATOM 670 H TRP A 39 -4.202 6.050 -6.377 1.00 0.00 H ATOM 671 HA TRP A 39 -4.451 4.395 -8.669 1.00 0.00 H ATOM 672 1HB TRP A 39 -3.246 6.533 -8.701 1.00 0.00 H ATOM 673 2HB TRP A 39 -2.029 5.897 -7.603 1.00 0.00 H ATOM 674 HD1 TRP A 39 -3.256 5.513 -11.248 1.00 0.00 H ATOM 675 HE1 TRP A 39 -1.343 4.508 -12.668 1.00 0.00 H ATOM 676 HE3 TRP A 39 0.084 4.527 -7.483 1.00 0.00 H ATOM 677 HZ2 TRP A 39 1.236 3.448 -12.224 1.00 0.00 H ATOM 678 HZ3 TRP A 39 2.257 3.514 -8.048 1.00 0.00 H ATOM 679 HH2 TRP A 39 2.831 2.983 -10.380 1.00 0.00 H ATOM 680 N VAL A 40 -2.331 3.299 -6.387 1.00 0.00 N ATOM 681 CA VAL A 40 -1.603 2.119 -5.933 1.00 0.00 C ATOM 682 C VAL A 40 -2.555 0.974 -5.613 1.00 0.00 C ATOM 683 O VAL A 40 -2.284 -0.181 -5.942 1.00 0.00 O ATOM 684 CB VAL A 40 -0.769 2.454 -4.682 1.00 0.00 C ATOM 685 CG1 VAL A 40 -0.179 1.187 -4.081 1.00 0.00 C ATOM 686 CG2 VAL A 40 0.329 3.443 -5.042 1.00 0.00 C ATOM 687 H VAL A 40 -2.321 4.132 -5.816 1.00 0.00 H ATOM 688 HA VAL A 40 -0.928 1.802 -6.728 1.00 0.00 H ATOM 689 HB VAL A 40 -1.422 2.894 -3.928 1.00 0.00 H ATOM 690 1HG1 VAL A 40 0.407 1.443 -3.197 1.00 0.00 H ATOM 691 2HG1 VAL A 40 -0.984 0.510 -3.798 1.00 0.00 H ATOM 692 3HG1 VAL A 40 0.465 0.702 -4.814 1.00 0.00 H ATOM 693 1HG2 VAL A 40 0.915 3.676 -4.152 1.00 0.00 H ATOM 694 2HG2 VAL A 40 0.979 3.005 -5.800 1.00 0.00 H ATOM 695 3HG2 VAL A 40 -0.118 4.358 -5.431 1.00 0.00 H ATOM 696 N ARG A 41 -3.671 1.301 -4.970 1.00 0.00 N ATOM 697 CA ARG A 41 -4.683 0.305 -4.638 1.00 0.00 C ATOM 698 C ARG A 41 -5.221 -0.373 -5.890 1.00 0.00 C ATOM 699 O ARG A 41 -5.463 -1.580 -5.898 1.00 0.00 O ATOM 700 CB ARG A 41 -5.834 0.946 -3.877 1.00 0.00 C ATOM 701 CG ARG A 41 -5.518 1.326 -2.439 1.00 0.00 C ATOM 702 CD ARG A 41 -6.590 2.163 -1.843 1.00 0.00 C ATOM 703 NE ARG A 41 -7.875 1.481 -1.846 1.00 0.00 N ATOM 704 CZ ARG A 41 -8.294 0.636 -0.884 1.00 0.00 C ATOM 705 NH1 ARG A 41 -7.521 0.379 0.148 1.00 0.00 N ATOM 706 NH2 ARG A 41 -9.482 0.064 -0.978 1.00 0.00 N ATOM 707 H ARG A 41 -3.822 2.264 -4.705 1.00 0.00 H ATOM 708 HA ARG A 41 -4.227 -0.451 -3.998 1.00 0.00 H ATOM 709 1HB ARG A 41 -6.154 1.849 -4.394 1.00 0.00 H ATOM 710 2HB ARG A 41 -6.683 0.262 -3.858 1.00 0.00 H ATOM 711 1HG ARG A 41 -5.414 0.422 -1.838 1.00 0.00 H ATOM 712 2HG ARG A 41 -4.585 1.891 -2.409 1.00 0.00 H ATOM 713 1HD ARG A 41 -6.334 2.403 -0.812 1.00 0.00 H ATOM 714 2HD ARG A 41 -6.693 3.084 -2.416 1.00 0.00 H ATOM 715 HE ARG A 41 -8.497 1.654 -2.624 1.00 0.00 H ATOM 716 1HH1 ARG A 41 -6.612 0.816 0.220 1.00 0.00 H ATOM 717 2HH1 ARG A 41 -7.835 -0.255 0.869 1.00 0.00 H ATOM 718 1HH2 ARG A 41 -10.076 0.262 -1.772 1.00 0.00 H ATOM 719 2HH2 ARG A 41 -9.795 -0.569 -0.258 1.00 0.00 H ATOM 720 N LEU A 42 -5.406 0.409 -6.948 1.00 0.00 N ATOM 721 CA LEU A 42 -5.929 -0.112 -8.204 1.00 0.00 C ATOM 722 C LEU A 42 -4.827 -0.756 -9.036 1.00 0.00 C ATOM 723 O LEU A 42 -5.077 -1.692 -9.795 1.00 0.00 O ATOM 724 CB LEU A 42 -6.594 1.012 -9.008 1.00 0.00 C ATOM 725 CG LEU A 42 -7.826 1.656 -8.358 1.00 0.00 C ATOM 726 CD1 LEU A 42 -8.241 2.882 -9.160 1.00 0.00 C ATOM 727 CD2 LEU A 42 -8.955 0.638 -8.291 1.00 0.00 C ATOM 728 H LEU A 42 -5.177 1.391 -6.880 1.00 0.00 H ATOM 729 HA LEU A 42 -6.684 -0.867 -7.978 1.00 0.00 H ATOM 730 1HB LEU A 42 -5.861 1.798 -9.178 1.00 0.00 H ATOM 731 2HB LEU A 42 -6.900 0.614 -9.976 1.00 0.00 H ATOM 732 HG LEU A 42 -7.575 1.986 -7.350 1.00 0.00 H ATOM 733 1HD1 LEU A 42 -9.116 3.339 -8.698 1.00 0.00 H ATOM 734 2HD1 LEU A 42 -7.422 3.601 -9.175 1.00 0.00 H ATOM 735 3HD1 LEU A 42 -8.483 2.585 -10.180 1.00 0.00 H ATOM 736 1HD2 LEU A 42 -9.830 1.096 -7.829 1.00 0.00 H ATOM 737 2HD2 LEU A 42 -9.208 0.308 -9.299 1.00 0.00 H ATOM 738 3HD2 LEU A 42 -8.638 -0.219 -7.698 1.00 0.00 H ATOM 739 N LEU A 43 -3.608 -0.250 -8.887 1.00 0.00 N ATOM 740 CA LEU A 43 -2.464 -0.777 -9.620 1.00 0.00 C ATOM 741 C LEU A 43 -2.425 -2.299 -9.557 1.00 0.00 C ATOM 742 O LEU A 43 -2.876 -2.901 -8.583 1.00 0.00 O ATOM 743 OXT LEU A 43 -1.949 -2.924 -10.464 1.00 0.00 O ATOM 744 CB LEU A 43 -1.160 -0.202 -9.054 1.00 0.00 C ATOM 745 CG LEU A 43 0.118 -0.576 -9.814 1.00 0.00 C ATOM 746 CD1 LEU A 43 0.100 0.074 -11.191 1.00 0.00 C ATOM 747 CD2 LEU A 43 1.334 -0.131 -9.015 1.00 0.00 C ATOM 748 H LEU A 43 -3.471 0.522 -8.249 1.00 0.00 H ATOM 749 HA LEU A 43 -2.551 -0.473 -10.664 1.00 0.00 H ATOM 750 1HB LEU A 43 -1.234 0.885 -9.046 1.00 0.00 H ATOM 751 2HB LEU A 43 -1.046 -0.545 -8.025 1.00 0.00 H ATOM 752 HG LEU A 43 0.154 -1.657 -9.956 1.00 0.00 H ATOM 753 1HD1 LEU A 43 1.008 -0.192 -11.731 1.00 0.00 H ATOM 754 2HD1 LEU A 43 -0.769 -0.277 -11.748 1.00 0.00 H ATOM 755 3HD1 LEU A 43 0.048 1.157 -11.081 1.00 0.00 H ATOM 756 1HD2 LEU A 43 2.243 -0.398 -9.555 1.00 0.00 H ATOM 757 2HD2 LEU A 43 1.300 0.950 -8.873 1.00 0.00 H ATOM 758 3HD2 LEU A 43 1.331 -0.624 -8.043 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE start21_0073_0001.pdb label fa_atr fa_rep fa_sol fa_intra_atr_xover4 fa_intra_rep_xover4 fa_intra_sol_xover4 lk_ball lk_ball_iso lk_ball_bridge lk_ball_bridge_uncpl fa_elec fa_intra_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun_dev fa_dun_rot fa_dun_semi p_aa_pp hxl_tors ref rama_prepro gen_bonded total weights 1 0.55 1 1 0.55 1 0.92 -0.38 -0.33 -0.33 1 1 1.25 1 1 1 1 1.25 0.48 0.69 0.76 0.78 0.61 1 1 0.5 1 NA pose -238.925 35.3421 138.759 -23.6206 13.5425 16.6364 80.687 -89.9448 -0.16882 -0.91975 -48.764 -11.9026 0 -25.8414 -2.82261 -0.39201 -1.12817 0 2.36944 6.42141 34.4101 32.5191 -12.7603 9.22293 -11.4064 -1.08912 0 -99.7749 THR:NtermProteinFull_1 -4.35762 0.44233 2.78196 -0.19068 0.14785 0.07834 2.073 -1.69038 -0 -0 -1.24855 -1.11691 0 0 0 0 0 0 0.02438 0.0005 0.08542 0 0 2.28861 -1.0874 0 0 -1.76914 GLU_2 -3.08238 0.19568 3.21201 -0.46628 0.28985 1.46693 1.39566 -1.57959 -0.02464 -0.13272 -1.78241 -2.98191 0 0 0 0 0 0 -0.05648 0.0307 0 4.00797 -0.35805 0 -2.7348 -0.24289 0 -2.84337 GLU_3 -3.05464 0.21232 3.12378 -0.21602 0.03445 0.30625 1.28879 -1.54913 -0.02564 -0.15306 -0.34998 -0.59102 0 0 0 0 0 0 -0.04381 0.01599 0 3.00349 -0.23809 0 -2.7348 -0.41969 0 -1.39081 LEU_4 -6.0508 0.78807 3.25712 -0.52102 0.82213 0.13191 1.78795 -2.09571 -0 -0 -0.97784 0.23508 0 0 0 0 0 0 0.11066 0.11493 0.33573 0 -0.28617 0 0.18072 -0.28596 0 -2.45321 ILE_5 -9.05942 1.57588 4.80901 -0.51223 0.70089 0.09804 3.02694 -3.305 -0 -0 -1.62405 0.16313 0 0 0 0 0 0 -0.06647 0.03815 0.48957 0 -0.47836 0 0.73287 0.16216 0 -3.2489 GLU_6 -4.414 0.14488 5.40638 -0.57334 0.12008 1.02565 2.39549 -2.53496 -0.00889 -0.08066 -3.2301 -0.66353 0 0 0 0 -0.56409 0 -0.04412 0.34134 0 3.56803 -0.3077 0 -2.7348 0.03403 0 -2.1203 GLU_7 -3.91971 0.14948 4.80172 -0.64485 0.16721 1.18441 2.11986 -2.21499 -0.001 -0.02034 -1.58505 -0.60537 0 0 0 0 0 0 0.0975 0.02748 0 3.38721 -0.19762 0 -2.7348 -0.36625 0 -0.35512 PHE_8 -9.753 1.3371 2.36343 -0.85241 0.04151 0.32017 2.60286 -2.64717 -0 -0 -1.88894 0.05235 0 0 0 0 0 0 0.01725 0.27144 0 2.22627 -0.09972 0 1.0402 -0.09169 0 -5.06035 ILE_9 -9.33605 1.92613 4.83054 -0.50999 0.59286 0.09849 2.6579 -3.341 -0 -0 -1.80534 0.17935 0 0 0 0 0 0 -0.0299 0.02195 0.47852 0 -0.39393 0 0.73287 0.44682 0 -3.45077 ARG_10 -5.08523 0.16896 5.31101 -1.64638 0.96846 1.35055 2.24925 -2.54339 -0.00522 -0.06718 -2.32766 0.11226 0 0 0 0 0 0 0.02606 0.8168 3.16153 0 -0.14776 0 -1.2888 0.31897 0 1.37223 HIS_D_11 -5.88136 0.62221 5.38711 -0.6595 0.01016 0.66908 2.80965 -2.79275 -0 -0 -2.21519 -0.29799 0 0 0 0 0 0 0.00974 0.08084 0 1.49736 -0.31639 0 -0.45461 0.41229 0 -1.11937 LEU_12 -7.61631 0.81117 2.36573 -0.54934 0.55308 0.12234 2.18653 -2.37317 -0.0261 -0.13056 -1.48 0.1263 0 0 0 0 0 0 -0.04132 0.18822 3.37362 0 -0.25742 0 0.18072 0.56474 0 -2.00176 LEU_13 -6.26555 0.69982 3.71107 -0.50771 0.46378 0.12115 1.41079 -2.33569 -0 -0 -0.85263 0.24945 0 0 0 0 0 0 -0.00258 0.18563 0.33539 0 -0.30746 0 0.18072 -0.02799 0 -2.94178 ARG_14 -3.17397 0.22666 3.86337 -1.59674 0.64395 1.53042 1.69788 -1.76084 -0 -0 -0.98307 -1.06151 0 0 0 0 0 0 0.03344 0.00692 3.42826 0 -0.12276 0 -1.2888 -0.19523 0 1.24799 LEU_15 -5.3392 0.66023 3.79087 -0.51135 0.67439 0.12016 1.75017 -2.03931 -0 -0 -0.40072 0.28982 0 0 0 0 0 0 0.66095 0.00423 0.4704 0 -0.23399 0 0.18072 0.03296 0 0.11031 GLY_16 -1.44859 0.12716 2.04021 -6e-05 0 0 0.55185 -0.96609 -0 -0 -0.43269 -0.40443 0 0 0 0 0 0 -0.17307 0 0 0 -1.47887 0 0.83697 -0.35359 0 -1.70118 ARG_17 -3.70866 0.29209 3.10372 -0.81662 0.22369 0.57352 0.89508 -1.51454 -0.03075 -0.14785 -0.23138 0.38497 0 0 0 0 0 0 -0.0007 0.22814 2.49724 0 -0.1472 0 -1.2888 -0.59097 0 -0.279 GLU_18 -2.6556 0.20391 1.86908 -0.75089 1.05223 2.06057 0.50806 -0.95226 -0.00465 -0.01729 -1.37332 -2.61935 0 0 0 0 0 0 -0.00971 0.02513 0 5.1861 -0.04213 0 -2.7348 -0.38611 0 -0.64104 VAL_19 -5.40041 0.79639 2.10259 -0.31287 0.23755 0.06639 1.99145 -1.80661 -0 -0 -1.31084 -0.42996 0 0 0 0 0 0 0.17424 0.00509 0.14836 0 -0.34435 0 1.9342 -0.4732 0 -2.622 THR_20 -3.25042 0.48557 1.36373 -0.17756 0.10169 0.06646 0.42167 -1.16978 -0 -0 -0.16356 -0.28817 0 0 0 0 0 0 0.1401 0.04394 0.20307 0 0.0333 2.29129 -1.0874 -0.01888 0 -1.00495 LEU_21 -6.57039 1.90882 2.53982 -0.44512 0.11043 0.11553 2.48685 -2.18096 -0 -0 -1.2728 -0.05054 0 0 0 0 0 0 0.0006 0.67696 2.26738 0 -0.06442 0 0.18072 0.287 0 -0.01013 LEU_22 -5.31991 1.39811 0.40124 -0.54788 0.46633 0.15669 0.61193 -1.03931 -0 -0 0.18739 -0.0918 0 0 0 0 0 0 0.19045 1.34196 0.15131 0 0.6121 0 0.18072 0.80805 0 -0.49264 GLY_23 -1.61126 0.38222 1.49307 -6e-05 0 0 0.32273 -0.85491 -0.00198 -0.0054 0.13074 -0.40735 0 0 0 0 0 0 -0.17635 0 0 0 -1.48349 0 0.83697 0.19481 0 -1.18026 ILE_24 -7.60112 1.08479 3.32987 -0.48632 0.49788 0.10365 2.81262 -2.55745 -0.00026 -0.00068 -1.89743 0.1889 0 0 0 0 0 0 0.45653 0.16583 0.51684 0 -0.65369 0 0.73287 -0.8081 0 -4.11528 LYS_25 -3.75287 0.43317 1.96567 -0.38577 0.05622 0.18445 0.91572 -1.25342 -0.0137 -0.04779 -0.48378 0.09751 0 0 0 0 0 0 -0.01059 0.01284 1.82691 0 0.10852 0 -1.5107 -0.403 0 -2.26061 ILE_26 -9.46137 1.87895 1.78826 -0.56097 0.38241 0.16078 2.22523 -2.48726 -0.00026 -0.00068 -1.20668 0.01762 0 0 0 0 0 0 0.06474 0.144 3.2557 0 -0.76073 0 0.73287 -0.31492 0 -4.14232 THR_27 -2.95526 0.239 1.19748 -0.11369 0.07045 0.06351 0.58367 -0.91034 -0.01173 -0.04239 0.76939 -0.75807 0 0 0 0 0 0 -0.04528 0.07895 0.16759 0 -0.67043 2.30063 -1.0874 0.10736 0 -1.01657 THR_28 -4.63145 0.41353 3.0657 -0.1985 0.14744 0.06802 2.344 -1.94338 -0 -0 -0.90624 -0.91814 0 0 0 -0.19601 0 0 0.3337 0.05495 0.73255 0 -0.69993 2.3424 -1.0874 0.76089 0 -0.31785 GLU_29 -3.7867 0.51468 2.51884 -0.21668 0.03459 0.30652 1.50236 -1.52701 -0 -0 -1.64294 -0.58846 0 0 0 -0.19601 0 0 -0.02886 0.12788 0 3.08379 -0.30456 0 -2.7348 0.21746 0 -2.71992 GLU_30 -3.04004 0.21462 2.99348 -0.21752 0.03338 0.30844 1.27346 -1.51682 -0 -0 -0.46973 -0.59613 0 0 0 0 0 0 -0.04683 0.01409 0 3.0198 -0.33953 0 -2.7348 -0.461 0 -1.56513 LEU_31 -7.8733 1.06635 4.52594 -0.49632 0.32899 0.12275 3.3824 -2.91326 -0 -0 -0.46184 0.17173 0 0 0 0 0 0 0.45848 0.37845 0.30113 0 -0.27571 0 0.18072 -0.35892 0 -1.46242 ALA_32 -6.42803 1.17393 3.07222 -0.02188 0 0 2.78668 -2.7314 -0 -0 -1.87903 -0.35743 0 0 0 0 0 0 0.23877 0 0 0 -0.21988 0 1.8394 -0.18718 0 -2.71383 ARG_33 -6.27799 0.85989 5.44652 -1.14104 0.49713 0.78324 2.51728 -3.00447 -0.00367 -0.01348 -2.23104 0.31033 0 0 0 0 -0.56409 0 -0.01185 0.3906 3.16176 0 -0.09555 0 -1.2888 -0.15318 0 -0.81842 LEU_34 -4.72266 0.34758 3.46773 -0.70507 0.40159 0.25971 1.78927 -2.00513 -0 -0 -0.92523 0.17124 0 0 0 0 0 0 -0.01037 0.03022 0.83106 0 -0.19238 0 0.18072 0.27741 0 -0.8043 VAL_35 -9.02928 2.76305 2.67959 -0.35929 0.30144 0.08512 2.84455 -2.86387 -0.00392 -0.02479 -2.35601 0.27045 0 0 0 0 0 0 0.2348 0.19666 0.99159 0 -0.19782 0 1.9342 0.32184 0 -2.21168 ALA_36 -7.0625 2.08787 3.10613 -0.02204 0 0 2.6795 -2.75415 -0 -0 -1.69234 -0.36177 0 0 0 0 0 0 -0.03525 0 0 0 -0.28593 0 1.8394 -0.14273 0 -2.6438 TRP_37 -6.76114 0.72609 4.56409 -1.28359 0.09013 0.46522 1.89772 -2.53907 -0 -0 -1.45292 -0.32462 0 0 0 0 0 0 -0.00576 0.01414 0 1.72479 -0.35417 0 1.6906 0.14765 0 -1.40083 LEU_38 -7.15129 0.85491 3.86479 -0.72328 0.72575 0.30352 2.05144 -2.48831 -0 -0 -1.29099 0.13293 0 0 0 0 0 0 -0.04961 0.01415 1.29226 0 -0.2856 0 0.18072 0.18795 0 -2.38067 TRP_39 -10.5527 1.66635 3.63356 -1.2864 0.06659 0.52262 2.80278 -3.09865 -0 -0 -2.47263 -0.30489 0 0 0 0 0 0 0.00723 0.00727 0 1.81425 -0.21023 0 1.6906 0.002 0 -5.71228 VAL_40 -7.85932 1.84552 3.76333 -0.3144 0.29052 0.07204 2.28831 -2.73898 -0.00517 -0.02983 -0.20714 -0.13629 0 0 0 0 0 0 -0.0124 0.01699 0.21738 0 -0.24569 0 1.9342 0.10055 0 -1.02039 ARG_41 -5.37285 0.46094 4.2022 -0.83245 0.20232 0.4881 1.50957 -2.02269 -0 -0 -0.32282 0.34565 0 0 0 0 0 0 -0.04535 0.21677 2.96869 0 -0.14145 0 -1.2888 0.0097 0 0.37752 LEU_42 -4.24615 0.5195 2.84499 -0.50859 0.47843 0.12537 1.43032 -1.64992 -0 -0 -0.40212 0.20188 0 0 0 0 0 0 0.03649 0.08747 0.28815 0 -0.27506 0 0.18072 -0.10886 0 -0.99739 LEU:CtermProteinFull_43 -4.00405 0.63619 2.80039 -0.73787 0.51468 0.55031 1.80776 -1.65169 -0.00124 -0.00505 -0.01447 0.35214 0 0 0 0 0 0 0 0.0038 0.43268 0 0 0 0.18072 -0.09343 0 0.77086 #END_POSE_ENERGIES_TABLE start21_0073_0001.pdb score_per_res -2.55917 total_score -110.044
HEEH_KT_rd6_6831.pdb
ATOM 1 N ASP A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA ASP A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C ASP A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O ASP A 1 1.398 2.333 -0.556 1.00 0.00 O ATOM 5 CB ASP A 1 1.994 -0.762 -1.214 1.00 0.00 C ATOM 6 CG ASP A 1 1.716 -2.257 -1.146 1.00 0.00 C ATOM 7 OD1 ASP A 1 1.426 -2.739 -0.077 1.00 0.00 O ATOM 8 OD2 ASP A 1 1.797 -2.903 -2.163 1.00 0.00 O ATOM 9 1H ASP A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 10 2H ASP A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 11 3H ASP A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 12 HA ASP A 1 1.804 -0.509 0.900 1.00 0.00 H ATOM 13 1HB ASP A 1 1.541 -0.364 -2.123 1.00 0.00 H ATOM 14 2HB ASP A 1 3.072 -0.610 -1.292 1.00 0.00 H ATOM 15 N VAL A 2 3.167 1.600 0.627 1.00 0.00 N ATOM 16 CA VAL A 2 3.786 2.916 0.728 1.00 0.00 C ATOM 17 C VAL A 2 4.140 3.466 -0.648 1.00 0.00 C ATOM 18 O VAL A 2 3.948 4.651 -0.921 1.00 0.00 O ATOM 19 CB VAL A 2 5.059 2.842 1.591 1.00 0.00 C ATOM 20 CG1 VAL A 2 5.290 1.420 2.080 1.00 0.00 C ATOM 21 CG2 VAL A 2 6.255 3.340 0.794 1.00 0.00 C ATOM 22 H VAL A 2 3.629 0.805 1.043 1.00 0.00 H ATOM 23 HA VAL A 2 3.079 3.596 1.205 1.00 0.00 H ATOM 24 HB VAL A 2 4.925 3.467 2.474 1.00 0.00 H ATOM 25 1HG1 VAL A 2 6.194 1.386 2.688 1.00 0.00 H ATOM 26 2HG1 VAL A 2 4.438 1.098 2.678 1.00 0.00 H ATOM 27 3HG1 VAL A 2 5.406 0.756 1.223 1.00 0.00 H ATOM 28 1HG2 VAL A 2 7.152 3.286 1.411 1.00 0.00 H ATOM 29 2HG2 VAL A 2 6.386 2.718 -0.092 1.00 0.00 H ATOM 30 3HG2 VAL A 2 6.086 4.373 0.490 1.00 0.00 H ATOM 31 N VAL A 3 4.658 2.599 -1.511 1.00 0.00 N ATOM 32 CA VAL A 3 4.980 2.981 -2.880 1.00 0.00 C ATOM 33 C VAL A 3 3.733 3.413 -3.640 1.00 0.00 C ATOM 34 O VAL A 3 3.729 4.446 -4.310 1.00 0.00 O ATOM 35 CB VAL A 3 5.647 1.806 -3.620 1.00 0.00 C ATOM 36 CG1 VAL A 3 5.769 0.599 -2.701 1.00 0.00 C ATOM 37 CG2 VAL A 3 4.846 1.457 -4.865 1.00 0.00 C ATOM 38 H VAL A 3 4.833 1.651 -1.210 1.00 0.00 H ATOM 39 HA VAL A 3 5.679 3.817 -2.851 1.00 0.00 H ATOM 40 HB VAL A 3 6.658 2.096 -3.906 1.00 0.00 H ATOM 41 1HG1 VAL A 3 6.242 -0.222 -3.240 1.00 0.00 H ATOM 42 2HG1 VAL A 3 6.376 0.862 -1.835 1.00 0.00 H ATOM 43 3HG1 VAL A 3 4.777 0.291 -2.371 1.00 0.00 H ATOM 44 1HG2 VAL A 3 5.324 0.626 -5.383 1.00 0.00 H ATOM 45 2HG2 VAL A 3 3.833 1.173 -4.579 1.00 0.00 H ATOM 46 3HG2 VAL A 3 4.807 2.322 -5.527 1.00 0.00 H ATOM 47 N HIS A 4 2.674 2.617 -3.531 1.00 0.00 N ATOM 48 CA HIS A 4 1.377 2.989 -4.083 1.00 0.00 C ATOM 49 C HIS A 4 0.986 4.402 -3.668 1.00 0.00 C ATOM 50 O HIS A 4 0.729 5.259 -4.514 1.00 0.00 O ATOM 51 CB HIS A 4 0.295 2.001 -3.635 1.00 0.00 C ATOM 52 CG HIS A 4 -1.071 2.330 -4.150 1.00 0.00 C ATOM 53 ND1 HIS A 4 -1.426 2.167 -5.473 1.00 0.00 N ATOM 54 CD2 HIS A 4 -2.169 2.813 -3.522 1.00 0.00 C ATOM 55 CE1 HIS A 4 -2.685 2.536 -5.636 1.00 0.00 C ATOM 56 NE2 HIS A 4 -3.158 2.932 -4.468 1.00 0.00 N ATOM 57 H HIS A 4 2.771 1.732 -3.054 1.00 0.00 H ATOM 58 HA HIS A 4 1.439 2.949 -5.171 1.00 0.00 H ATOM 59 1HB HIS A 4 0.555 0.997 -3.974 1.00 0.00 H ATOM 60 2HB HIS A 4 0.252 1.977 -2.546 1.00 0.00 H ATOM 61 HD1 HIS A 4 -0.863 1.757 -6.190 1.00 0.00 H ATOM 62 HD2 HIS A 4 -2.367 3.094 -2.487 1.00 0.00 H ATOM 63 HE1 HIS A 4 -3.157 2.481 -6.616 1.00 0.00 H ATOM 64 N ILE A 5 0.943 4.639 -2.362 1.00 0.00 N ATOM 65 CA ILE A 5 0.490 5.919 -1.830 1.00 0.00 C ATOM 66 C ILE A 5 1.412 7.053 -2.263 1.00 0.00 C ATOM 67 O ILE A 5 0.954 8.150 -2.583 1.00 0.00 O ATOM 68 CB ILE A 5 0.413 5.878 -0.293 1.00 0.00 C ATOM 69 CG1 ILE A 5 -0.703 4.934 0.161 1.00 0.00 C ATOM 70 CG2 ILE A 5 0.192 7.276 0.266 1.00 0.00 C ATOM 71 CD1 ILE A 5 -0.679 4.626 1.640 1.00 0.00 C ATOM 72 H ILE A 5 1.231 3.915 -1.720 1.00 0.00 H ATOM 73 HA ILE A 5 -0.512 6.117 -2.212 1.00 0.00 H ATOM 74 HB ILE A 5 1.345 5.480 0.108 1.00 0.00 H ATOM 75 1HG1 ILE A 5 -1.671 5.373 -0.081 1.00 0.00 H ATOM 76 2HG1 ILE A 5 -0.627 3.992 -0.384 1.00 0.00 H ATOM 77 1HG2 ILE A 5 0.139 7.229 1.353 1.00 0.00 H ATOM 78 2HG2 ILE A 5 1.019 7.920 -0.030 1.00 0.00 H ATOM 79 3HG2 ILE A 5 -0.741 7.681 -0.126 1.00 0.00 H ATOM 80 1HD1 ILE A 5 -1.499 3.951 1.885 1.00 0.00 H ATOM 81 2HD1 ILE A 5 0.269 4.153 1.898 1.00 0.00 H ATOM 82 3HD1 ILE A 5 -0.789 5.550 2.206 1.00 0.00 H ATOM 83 N LEU A 6 2.712 6.780 -2.272 1.00 0.00 N ATOM 84 CA LEU A 6 3.704 7.791 -2.617 1.00 0.00 C ATOM 85 C LEU A 6 3.546 8.247 -4.062 1.00 0.00 C ATOM 86 O LEU A 6 3.617 9.439 -4.359 1.00 0.00 O ATOM 87 CB LEU A 6 5.119 7.241 -2.400 1.00 0.00 C ATOM 88 CG LEU A 6 6.262 8.239 -2.621 1.00 0.00 C ATOM 89 CD1 LEU A 6 7.471 7.818 -1.797 1.00 0.00 C ATOM 90 CD2 LEU A 6 6.604 8.299 -4.103 1.00 0.00 C ATOM 91 H LEU A 6 3.021 5.849 -2.033 1.00 0.00 H ATOM 92 HA LEU A 6 3.563 8.652 -1.962 1.00 0.00 H ATOM 93 1HB LEU A 6 5.195 6.871 -1.379 1.00 0.00 H ATOM 94 2HB LEU A 6 5.274 6.403 -3.080 1.00 0.00 H ATOM 95 HG LEU A 6 5.954 9.228 -2.280 1.00 0.00 H ATOM 96 1HD1 LEU A 6 8.284 8.528 -1.954 1.00 0.00 H ATOM 97 2HD1 LEU A 6 7.204 7.802 -0.740 1.00 0.00 H ATOM 98 3HD1 LEU A 6 7.793 6.824 -2.105 1.00 0.00 H ATOM 99 1HD2 LEU A 6 7.417 9.010 -4.260 1.00 0.00 H ATOM 100 2HD2 LEU A 6 6.914 7.312 -4.445 1.00 0.00 H ATOM 101 3HD2 LEU A 6 5.728 8.620 -4.666 1.00 0.00 H ATOM 102 N GLU A 7 3.330 7.290 -4.959 1.00 0.00 N ATOM 103 CA GLU A 7 3.106 7.595 -6.367 1.00 0.00 C ATOM 104 C GLU A 7 1.886 8.488 -6.549 1.00 0.00 C ATOM 105 O GLU A 7 1.898 9.416 -7.359 1.00 0.00 O ATOM 106 CB GLU A 7 2.932 6.305 -7.172 1.00 0.00 C ATOM 107 CG GLU A 7 2.754 6.517 -8.669 1.00 0.00 C ATOM 108 CD GLU A 7 2.655 5.227 -9.434 1.00 0.00 C ATOM 109 OE1 GLU A 7 1.781 4.447 -9.136 1.00 0.00 O ATOM 110 OE2 GLU A 7 3.453 5.020 -10.317 1.00 0.00 O ATOM 111 H GLU A 7 3.321 6.326 -4.657 1.00 0.00 H ATOM 112 HA GLU A 7 3.982 8.119 -6.751 1.00 0.00 H ATOM 113 1HB GLU A 7 3.802 5.665 -7.025 1.00 0.00 H ATOM 114 2HB GLU A 7 2.060 5.763 -6.805 1.00 0.00 H ATOM 115 1HG GLU A 7 1.847 7.097 -8.838 1.00 0.00 H ATOM 116 2HG GLU A 7 3.597 7.094 -9.046 1.00 0.00 H ATOM 117 N GLU A 8 0.832 8.202 -5.792 1.00 0.00 N ATOM 118 CA GLU A 8 -0.362 9.039 -5.794 1.00 0.00 C ATOM 119 C GLU A 8 -0.054 10.439 -5.279 1.00 0.00 C ATOM 120 O GLU A 8 -0.568 11.430 -5.799 1.00 0.00 O ATOM 121 CB GLU A 8 -1.462 8.402 -4.942 1.00 0.00 C ATOM 122 CG GLU A 8 -2.056 7.130 -5.531 1.00 0.00 C ATOM 123 CD GLU A 8 -2.772 7.366 -6.832 1.00 0.00 C ATOM 124 OE1 GLU A 8 -3.757 8.064 -6.828 1.00 0.00 O ATOM 125 OE2 GLU A 8 -2.333 6.846 -7.831 1.00 0.00 O ATOM 126 H GLU A 8 0.857 7.384 -5.201 1.00 0.00 H ATOM 127 HA GLU A 8 -0.729 9.117 -6.818 1.00 0.00 H ATOM 128 1HB GLU A 8 -1.065 8.161 -3.956 1.00 0.00 H ATOM 129 2HB GLU A 8 -2.274 9.116 -4.802 1.00 0.00 H ATOM 130 1HG GLU A 8 -1.254 6.410 -5.696 1.00 0.00 H ATOM 131 2HG GLU A 8 -2.751 6.699 -4.812 1.00 0.00 H ATOM 132 N GLY A 9 0.788 10.515 -4.254 1.00 0.00 N ATOM 133 CA GLY A 9 1.155 11.793 -3.657 1.00 0.00 C ATOM 134 C GLY A 9 1.884 12.680 -4.659 1.00 0.00 C ATOM 135 O GLY A 9 1.673 13.892 -4.699 1.00 0.00 O ATOM 136 H GLY A 9 1.183 9.664 -3.877 1.00 0.00 H ATOM 137 1HA GLY A 9 0.258 12.300 -3.301 1.00 0.00 H ATOM 138 2HA GLY A 9 1.791 11.620 -2.789 1.00 0.00 H ATOM 139 N LEU A 10 2.742 12.067 -5.468 1.00 0.00 N ATOM 140 CA LEU A 10 3.421 12.779 -6.545 1.00 0.00 C ATOM 141 C LEU A 10 2.430 13.259 -7.598 1.00 0.00 C ATOM 142 O LEU A 10 2.534 14.379 -8.096 1.00 0.00 O ATOM 143 CB LEU A 10 4.472 11.873 -7.198 1.00 0.00 C ATOM 144 CG LEU A 10 5.692 11.537 -6.331 1.00 0.00 C ATOM 145 CD1 LEU A 10 6.547 10.495 -7.039 1.00 0.00 C ATOM 146 CD2 LEU A 10 6.488 12.805 -6.060 1.00 0.00 C ATOM 147 H LEU A 10 2.929 11.084 -5.334 1.00 0.00 H ATOM 148 HA LEU A 10 3.927 13.647 -6.121 1.00 0.00 H ATOM 149 1HB LEU A 10 3.996 10.935 -7.479 1.00 0.00 H ATOM 150 2HB LEU A 10 4.834 12.359 -8.105 1.00 0.00 H ATOM 151 HG LEU A 10 5.359 11.108 -5.386 1.00 0.00 H ATOM 152 1HD1 LEU A 10 7.414 10.255 -6.423 1.00 0.00 H ATOM 153 2HD1 LEU A 10 5.959 9.592 -7.203 1.00 0.00 H ATOM 154 3HD1 LEU A 10 6.882 10.889 -7.998 1.00 0.00 H ATOM 155 1HD2 LEU A 10 7.354 12.566 -5.443 1.00 0.00 H ATOM 156 2HD2 LEU A 10 6.822 13.233 -7.005 1.00 0.00 H ATOM 157 3HD2 LEU A 10 5.858 13.525 -5.538 1.00 0.00 H ATOM 158 N ARG A 11 1.469 12.404 -7.933 1.00 0.00 N ATOM 159 CA ARG A 11 0.420 12.762 -8.879 1.00 0.00 C ATOM 160 C ARG A 11 -0.429 13.911 -8.350 1.00 0.00 C ATOM 161 O ARG A 11 -0.864 14.776 -9.111 1.00 0.00 O ATOM 162 CB ARG A 11 -0.474 11.565 -9.165 1.00 0.00 C ATOM 163 CG ARG A 11 -1.624 11.839 -10.122 1.00 0.00 C ATOM 164 CD ARG A 11 -1.136 12.165 -11.487 1.00 0.00 C ATOM 165 NE ARG A 11 -2.230 12.474 -12.394 1.00 0.00 N ATOM 166 CZ ARG A 11 -2.801 13.688 -12.519 1.00 0.00 C ATOM 167 NH1 ARG A 11 -2.371 14.694 -11.791 1.00 0.00 N ATOM 168 NH2 ARG A 11 -3.792 13.867 -13.375 1.00 0.00 N ATOM 169 H ARG A 11 1.466 11.482 -7.520 1.00 0.00 H ATOM 170 HA ARG A 11 0.889 13.076 -9.813 1.00 0.00 H ATOM 171 1HB ARG A 11 0.123 10.759 -9.590 1.00 0.00 H ATOM 172 2HB ARG A 11 -0.902 11.199 -8.232 1.00 0.00 H ATOM 173 1HG ARG A 11 -2.262 10.958 -10.187 1.00 0.00 H ATOM 174 2HG ARG A 11 -2.208 12.684 -9.756 1.00 0.00 H ATOM 175 1HD ARG A 11 -0.477 13.031 -11.441 1.00 0.00 H ATOM 176 2HD ARG A 11 -0.589 11.314 -11.890 1.00 0.00 H ATOM 177 HE ARG A 11 -2.588 11.724 -12.971 1.00 0.00 H ATOM 178 1HH1 ARG A 11 -1.614 14.557 -11.137 1.00 0.00 H ATOM 179 2HH1 ARG A 11 -2.799 15.604 -11.884 1.00 0.00 H ATOM 180 1HH2 ARG A 11 -4.123 13.093 -13.935 1.00 0.00 H ATOM 181 2HH2 ARG A 11 -4.220 14.776 -13.468 1.00 0.00 H ATOM 182 N ARG A 12 -0.665 13.914 -7.042 1.00 0.00 N ATOM 183 CA ARG A 12 -1.490 14.938 -6.415 1.00 0.00 C ATOM 184 C ARG A 12 -0.656 16.147 -6.012 1.00 0.00 C ATOM 185 O ARG A 12 -1.195 17.211 -5.705 1.00 0.00 O ATOM 186 CB ARG A 12 -2.194 14.379 -5.187 1.00 0.00 C ATOM 187 CG ARG A 12 -3.209 13.284 -5.474 1.00 0.00 C ATOM 188 CD ARG A 12 -3.785 12.727 -4.224 1.00 0.00 C ATOM 189 NE ARG A 12 -2.789 12.014 -3.439 1.00 0.00 N ATOM 190 CZ ARG A 12 -2.987 11.553 -2.189 1.00 0.00 C ATOM 191 NH1 ARG A 12 -4.146 11.736 -1.597 1.00 0.00 N ATOM 192 NH2 ARG A 12 -2.016 10.915 -1.558 1.00 0.00 N ATOM 193 H ARG A 12 -0.260 13.187 -6.469 1.00 0.00 H ATOM 194 HA ARG A 12 -2.248 15.258 -7.130 1.00 0.00 H ATOM 195 1HB ARG A 12 -1.455 13.970 -4.499 1.00 0.00 H ATOM 196 2HB ARG A 12 -2.714 15.184 -4.668 1.00 0.00 H ATOM 197 1HG ARG A 12 -4.023 13.692 -6.075 1.00 0.00 H ATOM 198 2HG ARG A 12 -2.726 12.474 -6.021 1.00 0.00 H ATOM 199 1HD ARG A 12 -4.183 13.537 -3.614 1.00 0.00 H ATOM 200 2HD ARG A 12 -4.586 12.031 -4.471 1.00 0.00 H ATOM 201 HE ARG A 12 -1.884 11.854 -3.862 1.00 0.00 H ATOM 202 1HH1 ARG A 12 -4.889 12.223 -2.079 1.00 0.00 H ATOM 203 2HH1 ARG A 12 -4.295 11.390 -0.660 1.00 0.00 H ATOM 204 1HH2 ARG A 12 -1.125 10.774 -2.014 1.00 0.00 H ATOM 205 2HH2 ARG A 12 -2.165 10.570 -0.622 1.00 0.00 H ATOM 206 N GLY A 13 0.662 15.978 -6.015 1.00 0.00 N ATOM 207 CA GLY A 13 1.571 17.033 -5.583 1.00 0.00 C ATOM 208 C GLY A 13 1.395 17.338 -4.101 1.00 0.00 C ATOM 209 O GLY A 13 1.418 18.498 -3.689 1.00 0.00 O ATOM 210 H GLY A 13 1.044 15.097 -6.325 1.00 0.00 H ATOM 211 1HA GLY A 13 2.600 16.730 -5.776 1.00 0.00 H ATOM 212 2HA GLY A 13 1.387 17.933 -6.167 1.00 0.00 H ATOM 213 N THR A 14 1.221 16.291 -3.303 1.00 0.00 N ATOM 214 CA THR A 14 1.165 16.432 -1.853 1.00 0.00 C ATOM 215 C THR A 14 2.254 15.610 -1.176 1.00 0.00 C ATOM 216 O THR A 14 2.756 14.641 -1.745 1.00 0.00 O ATOM 217 CB THR A 14 -0.213 16.014 -1.308 1.00 0.00 C ATOM 218 OG1 THR A 14 -0.280 16.295 0.096 1.00 0.00 O ATOM 219 CG2 THR A 14 -0.448 14.528 -1.535 1.00 0.00 C ATOM 220 H THR A 14 1.124 15.372 -3.711 1.00 0.00 H ATOM 221 HA THR A 14 1.315 17.483 -1.602 1.00 0.00 H ATOM 222 HB THR A 14 -0.993 16.581 -1.816 1.00 0.00 H ATOM 223 HG1 THR A 14 -1.200 16.335 0.370 1.00 0.00 H ATOM 224 1HG2 THR A 14 -1.427 14.251 -1.144 1.00 0.00 H ATOM 225 2HG2 THR A 14 -0.409 14.313 -2.603 1.00 0.00 H ATOM 226 3HG2 THR A 14 0.323 13.955 -1.022 1.00 0.00 H ATOM 227 N SER A 15 2.614 16.001 0.042 1.00 0.00 N ATOM 228 CA SER A 15 3.580 15.248 0.834 1.00 0.00 C ATOM 229 C SER A 15 2.880 14.328 1.824 1.00 0.00 C ATOM 230 O SER A 15 1.888 14.709 2.448 1.00 0.00 O ATOM 231 CB SER A 15 4.500 16.198 1.576 1.00 0.00 C ATOM 232 OG SER A 15 3.775 17.017 2.452 1.00 0.00 O ATOM 233 H SER A 15 2.209 16.841 0.428 1.00 0.00 H ATOM 234 HA SER A 15 4.183 14.641 0.158 1.00 0.00 H ATOM 235 1HB SER A 15 5.238 15.625 2.136 1.00 0.00 H ATOM 236 2HB SER A 15 5.040 16.815 0.859 1.00 0.00 H ATOM 237 HG SER A 15 4.421 17.584 2.880 1.00 0.00 H ATOM 238 N VAL A 16 3.400 13.113 1.967 1.00 0.00 N ATOM 239 CA VAL A 16 2.821 12.133 2.877 1.00 0.00 C ATOM 240 C VAL A 16 3.903 11.419 3.679 1.00 0.00 C ATOM 241 O VAL A 16 4.970 11.101 3.154 1.00 0.00 O ATOM 242 CB VAL A 16 2.000 11.095 2.090 1.00 0.00 C ATOM 243 CG1 VAL A 16 2.039 11.402 0.600 1.00 0.00 C ATOM 244 CG2 VAL A 16 2.531 9.697 2.366 1.00 0.00 C ATOM 245 H VAL A 16 4.219 12.864 1.430 1.00 0.00 H ATOM 246 HA VAL A 16 2.159 12.652 3.569 1.00 0.00 H ATOM 247 HB VAL A 16 0.957 11.157 2.403 1.00 0.00 H ATOM 248 1HG1 VAL A 16 1.453 10.659 0.059 1.00 0.00 H ATOM 249 2HG1 VAL A 16 1.621 12.393 0.422 1.00 0.00 H ATOM 250 3HG1 VAL A 16 3.071 11.374 0.250 1.00 0.00 H ATOM 251 1HG2 VAL A 16 1.945 8.968 1.807 1.00 0.00 H ATOM 252 2HG2 VAL A 16 3.575 9.637 2.058 1.00 0.00 H ATOM 253 3HG2 VAL A 16 2.454 9.483 3.432 1.00 0.00 H ATOM 254 N THR A 17 3.621 11.171 4.953 1.00 0.00 N ATOM 255 CA THR A 17 4.504 10.368 5.790 1.00 0.00 C ATOM 256 C THR A 17 3.860 9.034 6.146 1.00 0.00 C ATOM 257 O THR A 17 2.723 8.987 6.614 1.00 0.00 O ATOM 258 CB THR A 17 4.881 11.120 7.080 1.00 0.00 C ATOM 259 OG1 THR A 17 5.571 12.332 6.744 1.00 0.00 O ATOM 260 CG2 THR A 17 5.776 10.259 7.958 1.00 0.00 C ATOM 261 H THR A 17 2.774 11.550 5.352 1.00 0.00 H ATOM 262 HA THR A 17 5.424 10.175 5.238 1.00 0.00 H ATOM 263 HB THR A 17 3.976 11.374 7.631 1.00 0.00 H ATOM 264 HG1 THR A 17 4.933 13.003 6.491 1.00 0.00 H ATOM 265 1HG2 THR A 17 6.032 10.807 8.864 1.00 0.00 H ATOM 266 2HG2 THR A 17 5.250 9.342 8.224 1.00 0.00 H ATOM 267 3HG2 THR A 17 6.687 10.010 7.415 1.00 0.00 H ATOM 268 N ILE A 18 4.595 7.950 5.922 1.00 0.00 N ATOM 269 CA ILE A 18 4.057 6.608 6.109 1.00 0.00 C ATOM 270 C ILE A 18 4.856 5.834 7.151 1.00 0.00 C ATOM 271 O ILE A 18 6.086 5.881 7.164 1.00 0.00 O ATOM 272 CB ILE A 18 4.054 5.828 4.781 1.00 0.00 C ATOM 273 CG1 ILE A 18 3.252 6.585 3.719 1.00 0.00 C ATOM 274 CG2 ILE A 18 3.487 4.431 4.986 1.00 0.00 C ATOM 275 CD1 ILE A 18 1.789 6.749 4.062 1.00 0.00 C ATOM 276 H ILE A 18 5.551 8.059 5.613 1.00 0.00 H ATOM 277 HA ILE A 18 3.025 6.693 6.452 1.00 0.00 H ATOM 278 HB ILE A 18 5.073 5.744 4.406 1.00 0.00 H ATOM 279 1HG1 ILE A 18 3.682 7.575 3.576 1.00 0.00 H ATOM 280 2HG1 ILE A 18 3.321 6.058 2.767 1.00 0.00 H ATOM 281 1HG2 ILE A 18 3.491 3.894 4.038 1.00 0.00 H ATOM 282 2HG2 ILE A 18 4.098 3.894 5.710 1.00 0.00 H ATOM 283 3HG2 ILE A 18 2.464 4.505 5.357 1.00 0.00 H ATOM 284 1HD1 ILE A 18 1.287 7.295 3.262 1.00 0.00 H ATOM 285 2HD1 ILE A 18 1.329 5.767 4.175 1.00 0.00 H ATOM 286 3HD1 ILE A 18 1.693 7.305 4.994 1.00 0.00 H ATOM 287 N GLU A 19 4.149 5.125 8.023 1.00 0.00 N ATOM 288 CA GLU A 19 4.789 4.229 8.980 1.00 0.00 C ATOM 289 C GLU A 19 4.260 2.808 8.845 1.00 0.00 C ATOM 290 O GLU A 19 3.083 2.546 9.099 1.00 0.00 O ATOM 291 CB GLU A 19 4.571 4.731 10.409 1.00 0.00 C ATOM 292 CG GLU A 19 5.212 6.080 10.706 1.00 0.00 C ATOM 293 CD GLU A 19 4.976 6.541 12.118 1.00 0.00 C ATOM 294 OE1 GLU A 19 4.247 5.885 12.823 1.00 0.00 O ATOM 295 OE2 GLU A 19 5.525 7.550 12.491 1.00 0.00 O ATOM 296 H GLU A 19 3.143 5.207 8.024 1.00 0.00 H ATOM 297 HA GLU A 19 5.862 4.223 8.784 1.00 0.00 H ATOM 298 1HB GLU A 19 3.502 4.819 10.605 1.00 0.00 H ATOM 299 2HB GLU A 19 4.975 4.006 11.115 1.00 0.00 H ATOM 300 1HG GLU A 19 6.286 6.005 10.536 1.00 0.00 H ATOM 301 2HG GLU A 19 4.812 6.820 10.015 1.00 0.00 H ATOM 302 N VAL A 20 5.134 1.892 8.443 1.00 0.00 N ATOM 303 CA VAL A 20 4.775 0.482 8.343 1.00 0.00 C ATOM 304 C VAL A 20 5.832 -0.403 8.991 1.00 0.00 C ATOM 305 O VAL A 20 7.014 -0.319 8.659 1.00 0.00 O ATOM 306 CB VAL A 20 4.606 0.077 6.867 1.00 0.00 C ATOM 307 CG1 VAL A 20 4.863 1.268 5.955 1.00 0.00 C ATOM 308 CG2 VAL A 20 5.546 -1.071 6.533 1.00 0.00 C ATOM 309 H VAL A 20 6.072 2.179 8.200 1.00 0.00 H ATOM 310 HA VAL A 20 3.827 0.329 8.858 1.00 0.00 H ATOM 311 HB VAL A 20 3.575 -0.237 6.701 1.00 0.00 H ATOM 312 1HG1 VAL A 20 4.739 0.964 4.915 1.00 0.00 H ATOM 313 2HG1 VAL A 20 4.155 2.063 6.187 1.00 0.00 H ATOM 314 3HG1 VAL A 20 5.880 1.630 6.107 1.00 0.00 H ATOM 315 1HG2 VAL A 20 5.421 -1.352 5.488 1.00 0.00 H ATOM 316 2HG2 VAL A 20 6.577 -0.758 6.704 1.00 0.00 H ATOM 317 3HG2 VAL A 20 5.317 -1.926 7.169 1.00 0.00 H ATOM 318 N GLY A 21 5.400 -1.251 9.918 1.00 0.00 N ATOM 319 CA GLY A 21 6.322 -2.048 10.717 1.00 0.00 C ATOM 320 C GLY A 21 7.342 -1.165 11.424 1.00 0.00 C ATOM 321 O GLY A 21 6.990 -0.354 12.281 1.00 0.00 O ATOM 322 H GLY A 21 4.407 -1.346 10.072 1.00 0.00 H ATOM 323 1HA GLY A 21 5.761 -2.624 11.453 1.00 0.00 H ATOM 324 2HA GLY A 21 6.836 -2.762 10.074 1.00 0.00 H ATOM 325 N VAL A 22 8.610 -1.328 11.060 1.00 0.00 N ATOM 326 CA VAL A 22 9.694 -0.604 11.715 1.00 0.00 C ATOM 327 C VAL A 22 10.315 0.424 10.777 1.00 0.00 C ATOM 328 O VAL A 22 11.436 0.882 10.998 1.00 0.00 O ATOM 329 CB VAL A 22 10.783 -1.585 12.189 1.00 0.00 C ATOM 330 CG1 VAL A 22 10.402 -3.015 11.834 1.00 0.00 C ATOM 331 CG2 VAL A 22 12.121 -1.213 11.569 1.00 0.00 C ATOM 332 H VAL A 22 8.829 -1.970 10.312 1.00 0.00 H ATOM 333 HA VAL A 22 9.288 -0.084 12.583 1.00 0.00 H ATOM 334 HB VAL A 22 10.857 -1.533 13.275 1.00 0.00 H ATOM 335 1HG1 VAL A 22 11.182 -3.695 12.177 1.00 0.00 H ATOM 336 2HG1 VAL A 22 9.460 -3.271 12.318 1.00 0.00 H ATOM 337 3HG1 VAL A 22 10.293 -3.104 10.753 1.00 0.00 H ATOM 338 1HG2 VAL A 22 12.886 -1.911 11.909 1.00 0.00 H ATOM 339 2HG2 VAL A 22 12.044 -1.260 10.482 1.00 0.00 H ATOM 340 3HG2 VAL A 22 12.393 -0.201 11.870 1.00 0.00 H ATOM 341 N ARG A 23 9.579 0.782 9.729 1.00 0.00 N ATOM 342 CA ARG A 23 10.127 1.597 8.653 1.00 0.00 C ATOM 343 C ARG A 23 9.365 2.910 8.514 1.00 0.00 C ATOM 344 O ARG A 23 8.143 2.947 8.650 1.00 0.00 O ATOM 345 CB ARG A 23 10.077 0.843 7.332 1.00 0.00 C ATOM 346 CG ARG A 23 10.869 -0.455 7.307 1.00 0.00 C ATOM 347 CD ARG A 23 12.330 -0.209 7.411 1.00 0.00 C ATOM 348 NE ARG A 23 12.825 0.592 6.303 1.00 0.00 N ATOM 349 CZ ARG A 23 13.184 0.098 5.102 1.00 0.00 C ATOM 350 NH1 ARG A 23 13.096 -1.193 4.870 1.00 0.00 N ATOM 351 NH2 ARG A 23 13.624 0.911 4.157 1.00 0.00 N ATOM 352 H ARG A 23 8.617 0.482 9.679 1.00 0.00 H ATOM 353 HA ARG A 23 11.169 1.821 8.883 1.00 0.00 H ATOM 354 1HB ARG A 23 9.043 0.603 7.089 1.00 0.00 H ATOM 355 2HB ARG A 23 10.461 1.480 6.535 1.00 0.00 H ATOM 356 1HG ARG A 23 10.566 -1.082 8.145 1.00 0.00 H ATOM 357 2HG ARG A 23 10.675 -0.981 6.371 1.00 0.00 H ATOM 358 1HD ARG A 23 12.544 0.322 8.338 1.00 0.00 H ATOM 359 2HD ARG A 23 12.860 -1.161 7.407 1.00 0.00 H ATOM 360 HE ARG A 23 12.907 1.590 6.444 1.00 0.00 H ATOM 361 1HH1 ARG A 23 12.760 -1.814 5.592 1.00 0.00 H ATOM 362 2HH1 ARG A 23 13.365 -1.563 3.970 1.00 0.00 H ATOM 363 1HH2 ARG A 23 13.691 1.904 4.336 1.00 0.00 H ATOM 364 2HH2 ARG A 23 13.892 0.541 3.258 1.00 0.00 H ATOM 365 N ILE A 24 10.096 3.986 8.241 1.00 0.00 N ATOM 366 CA ILE A 24 9.489 5.300 8.065 1.00 0.00 C ATOM 367 C ILE A 24 9.871 5.909 6.722 1.00 0.00 C ATOM 368 O ILE A 24 11.051 5.985 6.378 1.00 0.00 O ATOM 369 CB ILE A 24 9.906 6.254 9.199 1.00 0.00 C ATOM 370 CG1 ILE A 24 9.458 5.699 10.554 1.00 0.00 C ATOM 371 CG2 ILE A 24 9.324 7.640 8.969 1.00 0.00 C ATOM 372 CD1 ILE A 24 10.012 6.459 11.738 1.00 0.00 C ATOM 373 H ILE A 24 11.097 3.891 8.151 1.00 0.00 H ATOM 374 HA ILE A 24 8.405 5.187 8.103 1.00 0.00 H ATOM 375 HB ILE A 24 10.992 6.327 9.232 1.00 0.00 H ATOM 376 1HG1 ILE A 24 8.370 5.720 10.615 1.00 0.00 H ATOM 377 2HG1 ILE A 24 9.769 4.658 10.643 1.00 0.00 H ATOM 378 1HG2 ILE A 24 9.628 8.301 9.781 1.00 0.00 H ATOM 379 2HG2 ILE A 24 9.690 8.035 8.023 1.00 0.00 H ATOM 380 3HG2 ILE A 24 8.236 7.578 8.940 1.00 0.00 H ATOM 381 1HD1 ILE A 24 9.651 6.007 12.662 1.00 0.00 H ATOM 382 2HD1 ILE A 24 11.102 6.421 11.717 1.00 0.00 H ATOM 383 3HD1 ILE A 24 9.684 7.496 11.690 1.00 0.00 H ATOM 384 N VAL A 25 8.868 6.343 5.967 1.00 0.00 N ATOM 385 CA VAL A 25 9.092 6.890 4.636 1.00 0.00 C ATOM 386 C VAL A 25 8.498 8.287 4.507 1.00 0.00 C ATOM 387 O VAL A 25 7.332 8.509 4.837 1.00 0.00 O ATOM 388 CB VAL A 25 8.470 5.970 3.569 1.00 0.00 C ATOM 389 CG1 VAL A 25 7.808 4.767 4.223 1.00 0.00 C ATOM 390 CG2 VAL A 25 7.466 6.750 2.734 1.00 0.00 C ATOM 391 H VAL A 25 7.925 6.290 6.326 1.00 0.00 H ATOM 392 HA VAL A 25 10.167 6.952 4.463 1.00 0.00 H ATOM 393 HB VAL A 25 9.263 5.590 2.924 1.00 0.00 H ATOM 394 1HG1 VAL A 25 7.375 4.127 3.454 1.00 0.00 H ATOM 395 2HG1 VAL A 25 8.553 4.203 4.786 1.00 0.00 H ATOM 396 3HG1 VAL A 25 7.022 5.106 4.898 1.00 0.00 H ATOM 397 1HG2 VAL A 25 7.031 6.094 1.981 1.00 0.00 H ATOM 398 2HG2 VAL A 25 6.677 7.135 3.380 1.00 0.00 H ATOM 399 3HG2 VAL A 25 7.970 7.582 2.242 1.00 0.00 H ATOM 400 N ARG A 26 9.304 9.227 4.026 1.00 0.00 N ATOM 401 CA ARG A 26 8.875 10.614 3.899 1.00 0.00 C ATOM 402 C ARG A 26 9.054 11.119 2.473 1.00 0.00 C ATOM 403 O ARG A 26 10.174 11.205 1.971 1.00 0.00 O ATOM 404 CB ARG A 26 9.658 11.506 4.851 1.00 0.00 C ATOM 405 CG ARG A 26 9.419 11.231 6.327 1.00 0.00 C ATOM 406 CD ARG A 26 10.229 12.129 7.191 1.00 0.00 C ATOM 407 NE ARG A 26 9.941 11.928 8.602 1.00 0.00 N ATOM 408 CZ ARG A 26 10.568 11.034 9.391 1.00 0.00 C ATOM 409 NH1 ARG A 26 11.514 10.268 8.894 1.00 0.00 N ATOM 410 NH2 ARG A 26 10.233 10.928 10.665 1.00 0.00 N ATOM 411 H ARG A 26 10.239 8.972 3.739 1.00 0.00 H ATOM 412 HA ARG A 26 7.818 10.675 4.161 1.00 0.00 H ATOM 413 1HB ARG A 26 10.725 11.391 4.662 1.00 0.00 H ATOM 414 2HB ARG A 26 9.404 12.549 4.664 1.00 0.00 H ATOM 415 1HG ARG A 26 8.366 11.389 6.561 1.00 0.00 H ATOM 416 2HG ARG A 26 9.691 10.200 6.554 1.00 0.00 H ATOM 417 1HD ARG A 26 11.288 11.932 7.028 1.00 0.00 H ATOM 418 2HD ARG A 26 10.010 13.167 6.942 1.00 0.00 H ATOM 419 HE ARG A 26 9.219 12.499 9.020 1.00 0.00 H ATOM 420 1HH1 ARG A 26 11.770 10.350 7.920 1.00 0.00 H ATOM 421 2HH1 ARG A 26 11.984 9.599 9.485 1.00 0.00 H ATOM 422 1HH2 ARG A 26 9.506 11.517 11.047 1.00 0.00 H ATOM 423 2HH2 ARG A 26 10.703 10.259 11.256 1.00 0.00 H ATOM 424 N VAL A 27 7.943 11.451 1.825 1.00 0.00 N ATOM 425 CA VAL A 27 7.978 11.995 0.472 1.00 0.00 C ATOM 426 C VAL A 27 7.478 13.434 0.444 1.00 0.00 C ATOM 427 O VAL A 27 6.421 13.744 0.994 1.00 0.00 O ATOM 428 CB VAL A 27 7.116 11.136 -0.472 1.00 0.00 C ATOM 429 CG1 VAL A 27 6.486 9.978 0.287 1.00 0.00 C ATOM 430 CG2 VAL A 27 6.047 11.999 -1.125 1.00 0.00 C ATOM 431 H VAL A 27 7.051 11.323 2.279 1.00 0.00 H ATOM 432 HA VAL A 27 9.010 11.978 0.119 1.00 0.00 H ATOM 433 HB VAL A 27 7.757 10.705 -1.242 1.00 0.00 H ATOM 434 1HG1 VAL A 27 5.881 9.382 -0.396 1.00 0.00 H ATOM 435 2HG1 VAL A 27 7.271 9.354 0.715 1.00 0.00 H ATOM 436 3HG1 VAL A 27 5.854 10.368 1.085 1.00 0.00 H ATOM 437 1HG2 VAL A 27 5.442 11.385 -1.792 1.00 0.00 H ATOM 438 2HG2 VAL A 27 5.411 12.434 -0.355 1.00 0.00 H ATOM 439 3HG2 VAL A 27 6.522 12.796 -1.697 1.00 0.00 H ATOM 440 N THR A 28 8.244 14.308 -0.199 1.00 0.00 N ATOM 441 CA THR A 28 7.810 15.681 -0.429 1.00 0.00 C ATOM 442 C THR A 28 8.371 16.225 -1.737 1.00 0.00 C ATOM 443 O THR A 28 9.188 15.576 -2.390 1.00 0.00 O ATOM 444 CB THR A 28 8.232 16.598 0.734 1.00 0.00 C ATOM 445 OG1 THR A 28 7.572 17.865 0.611 1.00 0.00 O ATOM 446 CG2 THR A 28 9.738 16.812 0.726 1.00 0.00 C ATOM 447 H THR A 28 9.148 14.015 -0.539 1.00 0.00 H ATOM 448 HA THR A 28 6.721 15.697 -0.483 1.00 0.00 H ATOM 449 HB THR A 28 7.940 16.143 1.680 1.00 0.00 H ATOM 450 HG1 THR A 28 7.296 18.167 1.480 1.00 0.00 H ATOM 451 1HG2 THR A 28 10.017 17.461 1.555 1.00 0.00 H ATOM 452 2HG2 THR A 28 10.242 15.851 0.831 1.00 0.00 H ATOM 453 3HG2 THR A 28 10.034 17.276 -0.214 1.00 0.00 H ATOM 454 N GLU A 29 7.927 17.419 -2.115 1.00 0.00 N ATOM 455 CA GLU A 29 8.435 18.083 -3.309 1.00 0.00 C ATOM 456 C GLU A 29 9.940 18.309 -3.216 1.00 0.00 C ATOM 457 O GLU A 29 10.427 18.923 -2.266 1.00 0.00 O ATOM 458 CB GLU A 29 7.721 19.420 -3.521 1.00 0.00 C ATOM 459 CG GLU A 29 8.115 20.148 -4.798 1.00 0.00 C ATOM 460 CD GLU A 29 7.365 21.437 -4.991 1.00 0.00 C ATOM 461 OE1 GLU A 29 6.541 21.752 -4.167 1.00 0.00 O ATOM 462 OE2 GLU A 29 7.618 22.107 -5.965 1.00 0.00 O ATOM 463 H GLU A 29 7.219 17.878 -1.560 1.00 0.00 H ATOM 464 HA GLU A 29 8.231 17.448 -4.172 1.00 0.00 H ATOM 465 1HB GLU A 29 6.644 19.256 -3.547 1.00 0.00 H ATOM 466 2HB GLU A 29 7.931 20.082 -2.680 1.00 0.00 H ATOM 467 1HG GLU A 29 9.183 20.363 -4.767 1.00 0.00 H ATOM 468 2HG GLU A 29 7.929 19.493 -5.649 1.00 0.00 H ATOM 469 N GLY A 30 10.671 17.808 -4.205 1.00 0.00 N ATOM 470 CA GLY A 30 12.121 17.950 -4.233 1.00 0.00 C ATOM 471 C GLY A 30 12.782 17.060 -3.189 1.00 0.00 C ATOM 472 O GLY A 30 13.952 17.246 -2.852 1.00 0.00 O ATOM 473 H GLY A 30 10.210 17.317 -4.958 1.00 0.00 H ATOM 474 1HA GLY A 30 12.494 17.692 -5.225 1.00 0.00 H ATOM 475 2HA GLY A 30 12.389 18.991 -4.051 1.00 0.00 H ATOM 476 N GLY A 31 12.027 16.094 -2.679 1.00 0.00 N ATOM 477 CA GLY A 31 12.559 15.127 -1.725 1.00 0.00 C ATOM 478 C GLY A 31 13.454 14.107 -2.416 1.00 0.00 C ATOM 479 O GLY A 31 13.034 13.440 -3.362 1.00 0.00 O ATOM 480 H GLY A 31 11.059 16.026 -2.960 1.00 0.00 H ATOM 481 1HA GLY A 31 13.125 15.651 -0.954 1.00 0.00 H ATOM 482 2HA GLY A 31 11.736 14.617 -1.227 1.00 0.00 H ATOM 483 N GLU A 32 14.687 13.988 -1.938 1.00 0.00 N ATOM 484 CA GLU A 32 15.652 13.069 -2.527 1.00 0.00 C ATOM 485 C GLU A 32 15.233 11.619 -2.316 1.00 0.00 C ATOM 486 O GLU A 32 15.442 10.770 -3.183 1.00 0.00 O ATOM 487 CB GLU A 32 17.042 13.300 -1.930 1.00 0.00 C ATOM 488 CG GLU A 32 17.685 14.622 -2.326 1.00 0.00 C ATOM 489 CD GLU A 32 19.026 14.837 -1.681 1.00 0.00 C ATOM 490 OE1 GLU A 32 19.403 14.038 -0.858 1.00 0.00 O ATOM 491 OE2 GLU A 32 19.674 15.801 -2.013 1.00 0.00 O ATOM 492 H GLU A 32 14.964 14.549 -1.145 1.00 0.00 H ATOM 493 HA GLU A 32 15.707 13.264 -3.598 1.00 0.00 H ATOM 494 1HB GLU A 32 16.981 13.270 -0.842 1.00 0.00 H ATOM 495 2HB GLU A 32 17.710 12.497 -2.242 1.00 0.00 H ATOM 496 1HG GLU A 32 17.807 14.645 -3.408 1.00 0.00 H ATOM 497 2HG GLU A 32 17.018 15.436 -2.046 1.00 0.00 H ATOM 498 N PHE A 33 14.641 11.343 -1.159 1.00 0.00 N ATOM 499 CA PHE A 33 14.181 9.998 -0.837 1.00 0.00 C ATOM 500 C PHE A 33 13.154 9.507 -1.850 1.00 0.00 C ATOM 501 O PHE A 33 13.308 8.436 -2.436 1.00 0.00 O ATOM 502 CB PHE A 33 13.576 9.963 0.568 1.00 0.00 C ATOM 503 CG PHE A 33 13.009 8.625 0.950 1.00 0.00 C ATOM 504 CD1 PHE A 33 13.843 7.592 1.352 1.00 0.00 C ATOM 505 CD2 PHE A 33 11.642 8.396 0.909 1.00 0.00 C ATOM 506 CE1 PHE A 33 13.323 6.361 1.704 1.00 0.00 C ATOM 507 CE2 PHE A 33 11.119 7.167 1.261 1.00 0.00 C ATOM 508 CZ PHE A 33 11.961 6.148 1.659 1.00 0.00 C ATOM 509 H PHE A 33 14.504 12.083 -0.486 1.00 0.00 H ATOM 510 HA PHE A 33 15.039 9.324 -0.855 1.00 0.00 H ATOM 511 1HB PHE A 33 14.337 10.231 1.299 1.00 0.00 H ATOM 512 2HB PHE A 33 12.779 10.702 0.639 1.00 0.00 H ATOM 513 HD1 PHE A 33 14.920 7.760 1.389 1.00 0.00 H ATOM 514 HD2 PHE A 33 10.977 9.202 0.594 1.00 0.00 H ATOM 515 HE1 PHE A 33 13.989 5.557 2.017 1.00 0.00 H ATOM 516 HE2 PHE A 33 10.043 7.001 1.225 1.00 0.00 H ATOM 517 HZ PHE A 33 11.551 5.178 1.935 1.00 0.00 H ATOM 518 N VAL A 34 12.107 10.299 -2.054 1.00 0.00 N ATOM 519 CA VAL A 34 11.017 9.913 -2.941 1.00 0.00 C ATOM 520 C VAL A 34 11.529 9.606 -4.342 1.00 0.00 C ATOM 521 O VAL A 34 11.065 8.668 -4.991 1.00 0.00 O ATOM 522 CB VAL A 34 9.967 11.038 -3.017 1.00 0.00 C ATOM 523 CG1 VAL A 34 10.382 12.213 -2.144 1.00 0.00 C ATOM 524 CG2 VAL A 34 9.782 11.478 -4.461 1.00 0.00 C ATOM 525 H VAL A 34 12.065 11.191 -1.581 1.00 0.00 H ATOM 526 HA VAL A 34 10.542 9.018 -2.538 1.00 0.00 H ATOM 527 HB VAL A 34 9.020 10.666 -2.625 1.00 0.00 H ATOM 528 1HG1 VAL A 34 9.628 12.999 -2.209 1.00 0.00 H ATOM 529 2HG1 VAL A 34 10.473 11.884 -1.109 1.00 0.00 H ATOM 530 3HG1 VAL A 34 11.340 12.601 -2.488 1.00 0.00 H ATOM 531 1HG2 VAL A 34 9.038 12.272 -4.507 1.00 0.00 H ATOM 532 2HG2 VAL A 34 10.731 11.845 -4.854 1.00 0.00 H ATOM 533 3HG2 VAL A 34 9.445 10.631 -5.059 1.00 0.00 H ATOM 534 N GLU A 35 12.488 10.400 -4.803 1.00 0.00 N ATOM 535 CA GLU A 35 13.063 10.216 -6.131 1.00 0.00 C ATOM 536 C GLU A 35 13.811 8.893 -6.229 1.00 0.00 C ATOM 537 O GLU A 35 13.798 8.237 -7.270 1.00 0.00 O ATOM 538 CB GLU A 35 14.007 11.373 -6.468 1.00 0.00 C ATOM 539 CG GLU A 35 13.311 12.709 -6.686 1.00 0.00 C ATOM 540 CD GLU A 35 14.273 13.831 -6.961 1.00 0.00 C ATOM 541 OE1 GLU A 35 15.457 13.609 -6.874 1.00 0.00 O ATOM 542 OE2 GLU A 35 13.823 14.912 -7.260 1.00 0.00 O ATOM 543 H GLU A 35 12.829 11.151 -4.220 1.00 0.00 H ATOM 544 HA GLU A 35 12.254 10.215 -6.862 1.00 0.00 H ATOM 545 1HB GLU A 35 14.730 11.500 -5.662 1.00 0.00 H ATOM 546 2HB GLU A 35 14.566 11.135 -7.373 1.00 0.00 H ATOM 547 1HG GLU A 35 12.627 12.617 -7.529 1.00 0.00 H ATOM 548 2HG GLU A 35 12.724 12.949 -5.801 1.00 0.00 H ATOM 549 N GLU A 36 14.464 8.506 -5.138 1.00 0.00 N ATOM 550 CA GLU A 36 15.183 7.239 -5.084 1.00 0.00 C ATOM 551 C GLU A 36 14.219 6.061 -5.017 1.00 0.00 C ATOM 552 O GLU A 36 14.421 5.044 -5.680 1.00 0.00 O ATOM 553 CB GLU A 36 16.124 7.210 -3.877 1.00 0.00 C ATOM 554 CG GLU A 36 16.965 5.947 -3.766 1.00 0.00 C ATOM 555 CD GLU A 36 17.925 5.780 -4.911 1.00 0.00 C ATOM 556 OE1 GLU A 36 18.222 6.755 -5.559 1.00 0.00 O ATOM 557 OE2 GLU A 36 18.361 4.676 -5.139 1.00 0.00 O ATOM 558 H GLU A 36 14.463 9.106 -4.324 1.00 0.00 H ATOM 559 HA GLU A 36 15.787 7.146 -5.987 1.00 0.00 H ATOM 560 1HB GLU A 36 16.803 8.062 -3.925 1.00 0.00 H ATOM 561 2HB GLU A 36 15.542 7.307 -2.960 1.00 0.00 H ATOM 562 1HG GLU A 36 17.531 5.981 -2.835 1.00 0.00 H ATOM 563 2HG GLU A 36 16.303 5.084 -3.724 1.00 0.00 H ATOM 564 N LEU A 37 13.170 6.206 -4.214 1.00 0.00 N ATOM 565 CA LEU A 37 12.169 5.158 -4.065 1.00 0.00 C ATOM 566 C LEU A 37 11.430 4.911 -5.375 1.00 0.00 C ATOM 567 O LEU A 37 11.184 3.766 -5.754 1.00 0.00 O ATOM 568 CB LEU A 37 11.166 5.536 -2.968 1.00 0.00 C ATOM 569 CG LEU A 37 10.116 4.469 -2.630 1.00 0.00 C ATOM 570 CD1 LEU A 37 9.644 4.657 -1.194 1.00 0.00 C ATOM 571 CD2 LEU A 37 8.953 4.574 -3.606 1.00 0.00 C ATOM 572 H LEU A 37 13.065 7.065 -3.693 1.00 0.00 H ATOM 573 HA LEU A 37 12.673 4.236 -3.769 1.00 0.00 H ATOM 574 1HB LEU A 37 11.717 5.759 -2.056 1.00 0.00 H ATOM 575 2HB LEU A 37 10.635 6.437 -3.277 1.00 0.00 H ATOM 576 HG LEU A 37 10.566 3.479 -2.706 1.00 0.00 H ATOM 577 1HD1 LEU A 37 8.899 3.899 -0.954 1.00 0.00 H ATOM 578 2HD1 LEU A 37 10.492 4.558 -0.517 1.00 0.00 H ATOM 579 3HD1 LEU A 37 9.204 5.647 -1.083 1.00 0.00 H ATOM 580 1HD2 LEU A 37 8.208 3.815 -3.366 1.00 0.00 H ATOM 581 2HD2 LEU A 37 8.502 5.563 -3.529 1.00 0.00 H ATOM 582 3HD2 LEU A 37 9.316 4.418 -4.622 1.00 0.00 H ATOM 583 N TRP A 38 11.079 5.992 -6.062 1.00 0.00 N ATOM 584 CA TRP A 38 10.392 5.895 -7.344 1.00 0.00 C ATOM 585 C TRP A 38 11.251 5.180 -8.378 1.00 0.00 C ATOM 586 O TRP A 38 10.765 4.330 -9.124 1.00 0.00 O ATOM 587 CB TRP A 38 10.024 7.288 -7.859 1.00 0.00 C ATOM 588 CG TRP A 38 9.304 7.270 -9.173 1.00 0.00 C ATOM 589 CD1 TRP A 38 7.963 7.120 -9.367 1.00 0.00 C ATOM 590 CD2 TRP A 38 9.886 7.409 -10.492 1.00 0.00 C ATOM 591 NE1 TRP A 38 7.672 7.154 -10.708 1.00 0.00 N ATOM 592 CE2 TRP A 38 8.837 7.331 -11.411 1.00 0.00 C ATOM 593 CE3 TRP A 38 11.194 7.590 -10.958 1.00 0.00 C ATOM 594 CZ2 TRP A 38 9.050 7.426 -12.777 1.00 0.00 C ATOM 595 CZ3 TRP A 38 11.408 7.687 -12.328 1.00 0.00 C ATOM 596 CH2 TRP A 38 10.363 7.608 -13.214 1.00 0.00 C ATOM 597 H TRP A 38 11.294 6.905 -5.687 1.00 0.00 H ATOM 598 HA TRP A 38 9.471 5.328 -7.202 1.00 0.00 H ATOM 599 1HB TRP A 38 9.389 7.790 -7.128 1.00 0.00 H ATOM 600 2HB TRP A 38 10.928 7.885 -7.972 1.00 0.00 H ATOM 601 HD1 TRP A 38 7.230 6.992 -8.572 1.00 0.00 H ATOM 602 HE1 TRP A 38 6.752 7.062 -11.112 1.00 0.00 H ATOM 603 HE3 TRP A 38 12.028 7.656 -10.259 1.00 0.00 H ATOM 604 HZ2 TRP A 38 8.233 7.366 -13.497 1.00 0.00 H ATOM 605 HZ3 TRP A 38 12.429 7.827 -12.683 1.00 0.00 H ATOM 606 HH2 TRP A 38 10.565 7.688 -14.282 1.00 0.00 H ATOM 607 N HIS A 39 12.534 5.528 -8.417 1.00 0.00 N ATOM 608 CA HIS A 39 13.472 4.896 -9.337 1.00 0.00 C ATOM 609 C HIS A 39 13.624 3.410 -9.035 1.00 0.00 C ATOM 610 O HIS A 39 13.650 2.582 -9.945 1.00 0.00 O ATOM 611 CB HIS A 39 14.841 5.579 -9.270 1.00 0.00 C ATOM 612 CG HIS A 39 15.842 5.018 -10.231 1.00 0.00 C ATOM 613 ND1 HIS A 39 15.753 5.210 -11.594 1.00 0.00 N ATOM 614 CD2 HIS A 39 16.952 4.269 -10.028 1.00 0.00 C ATOM 615 CE1 HIS A 39 16.767 4.604 -12.187 1.00 0.00 C ATOM 616 NE2 HIS A 39 17.508 4.026 -11.260 1.00 0.00 N ATOM 617 H HIS A 39 12.867 6.247 -7.793 1.00 0.00 H ATOM 618 HA HIS A 39 13.089 5.009 -10.352 1.00 0.00 H ATOM 619 1HB HIS A 39 14.727 6.644 -9.478 1.00 0.00 H ATOM 620 2HB HIS A 39 15.246 5.484 -8.262 1.00 0.00 H ATOM 621 HD1 HIS A 39 15.085 5.785 -12.068 1.00 0.00 H ATOM 622 HD2 HIS A 39 17.422 3.871 -9.128 1.00 0.00 H ATOM 623 HE1 HIS A 39 16.878 4.640 -13.271 1.00 0.00 H ATOM 624 N ARG A 40 13.725 3.080 -7.752 1.00 0.00 N ATOM 625 CA ARG A 40 13.856 1.692 -7.326 1.00 0.00 C ATOM 626 C ARG A 40 12.651 0.867 -7.759 1.00 0.00 C ATOM 627 O ARG A 40 12.796 -0.259 -8.237 1.00 0.00 O ATOM 628 CB ARG A 40 14.008 1.608 -5.814 1.00 0.00 C ATOM 629 CG ARG A 40 14.121 0.196 -5.261 1.00 0.00 C ATOM 630 CD ARG A 40 15.380 -0.463 -5.692 1.00 0.00 C ATOM 631 NE ARG A 40 15.471 -1.830 -5.204 1.00 0.00 N ATOM 632 CZ ARG A 40 14.952 -2.903 -5.833 1.00 0.00 C ATOM 633 NH1 ARG A 40 14.310 -2.752 -6.970 1.00 0.00 N ATOM 634 NH2 ARG A 40 15.089 -4.107 -5.306 1.00 0.00 N ATOM 635 H ARG A 40 13.710 3.809 -7.054 1.00 0.00 H ATOM 636 HA ARG A 40 14.751 1.271 -7.787 1.00 0.00 H ATOM 637 1HB ARG A 40 14.898 2.155 -5.507 1.00 0.00 H ATOM 638 2HB ARG A 40 13.151 2.082 -5.336 1.00 0.00 H ATOM 639 1HG ARG A 40 14.108 0.231 -4.171 1.00 0.00 H ATOM 640 2HG ARG A 40 13.281 -0.402 -5.615 1.00 0.00 H ATOM 641 1HD ARG A 40 15.424 -0.487 -6.781 1.00 0.00 H ATOM 642 2HD ARG A 40 16.233 0.094 -5.307 1.00 0.00 H ATOM 643 HE ARG A 40 15.958 -1.986 -4.332 1.00 0.00 H ATOM 644 1HH1 ARG A 40 14.206 -1.831 -7.373 1.00 0.00 H ATOM 645 2HH1 ARG A 40 13.921 -3.556 -7.441 1.00 0.00 H ATOM 646 1HH2 ARG A 40 15.583 -4.224 -4.432 1.00 0.00 H ATOM 647 2HH2 ARG A 40 14.700 -4.911 -5.777 1.00 0.00 H ATOM 648 N TRP A 41 11.460 1.432 -7.591 1.00 0.00 N ATOM 649 CA TRP A 41 10.229 0.755 -7.976 1.00 0.00 C ATOM 650 C TRP A 41 10.163 0.546 -9.483 1.00 0.00 C ATOM 651 O TRP A 41 9.753 -0.515 -9.955 1.00 0.00 O ATOM 652 CB TRP A 41 9.012 1.559 -7.514 1.00 0.00 C ATOM 653 CG TRP A 41 7.703 0.914 -7.856 1.00 0.00 C ATOM 654 CD1 TRP A 41 6.899 1.214 -8.914 1.00 0.00 C ATOM 655 CD2 TRP A 41 7.038 -0.152 -7.135 1.00 0.00 C ATOM 656 NE1 TRP A 41 5.783 0.414 -8.901 1.00 0.00 N ATOM 657 CE2 TRP A 41 5.852 -0.429 -7.820 1.00 0.00 C ATOM 658 CE3 TRP A 41 7.350 -0.881 -5.981 1.00 0.00 C ATOM 659 CZ2 TRP A 41 4.969 -1.407 -7.391 1.00 0.00 C ATOM 660 CZ3 TRP A 41 6.464 -1.863 -5.552 1.00 0.00 C ATOM 661 CH2 TRP A 41 5.305 -2.118 -6.240 1.00 0.00 C ATOM 662 H TRP A 41 11.408 2.357 -7.186 1.00 0.00 H ATOM 663 HA TRP A 41 10.202 -0.219 -7.486 1.00 0.00 H ATOM 664 1HB TRP A 41 9.055 1.696 -6.433 1.00 0.00 H ATOM 665 2HB TRP A 41 9.036 2.549 -7.970 1.00 0.00 H ATOM 666 HD1 TRP A 41 7.110 1.977 -9.661 1.00 0.00 H ATOM 667 HE1 TRP A 41 5.032 0.440 -9.576 1.00 0.00 H ATOM 668 HE3 TRP A 41 8.270 -0.684 -5.433 1.00 0.00 H ATOM 669 HZ2 TRP A 41 4.042 -1.624 -7.924 1.00 0.00 H ATOM 670 HZ3 TRP A 41 6.714 -2.426 -4.652 1.00 0.00 H ATOM 671 HH2 TRP A 41 4.633 -2.896 -5.875 1.00 0.00 H ATOM 672 N ARG A 42 10.569 1.563 -10.235 1.00 0.00 N ATOM 673 CA ARG A 42 10.570 1.488 -11.691 1.00 0.00 C ATOM 674 C ARG A 42 11.524 0.408 -12.186 1.00 0.00 C ATOM 675 O ARG A 42 11.234 -0.295 -13.153 1.00 0.00 O ATOM 676 CB ARG A 42 10.966 2.826 -12.297 1.00 0.00 C ATOM 677 CG ARG A 42 11.027 2.848 -13.816 1.00 0.00 C ATOM 678 CD ARG A 42 9.686 2.649 -14.422 1.00 0.00 C ATOM 679 NE ARG A 42 9.746 2.623 -15.875 1.00 0.00 N ATOM 680 CZ ARG A 42 10.021 1.527 -16.609 1.00 0.00 C ATOM 681 NH1 ARG A 42 10.258 0.379 -16.014 1.00 0.00 N ATOM 682 NH2 ARG A 42 10.052 1.607 -17.928 1.00 0.00 N ATOM 683 H ARG A 42 10.885 2.411 -9.786 1.00 0.00 H ATOM 684 HA ARG A 42 9.561 1.243 -12.026 1.00 0.00 H ATOM 685 1HB ARG A 42 10.257 3.591 -11.984 1.00 0.00 H ATOM 686 2HB ARG A 42 11.948 3.118 -11.923 1.00 0.00 H ATOM 687 1HG ARG A 42 11.415 3.810 -14.151 1.00 0.00 H ATOM 688 2HG ARG A 42 11.684 2.050 -14.166 1.00 0.00 H ATOM 689 1HD ARG A 42 9.270 1.701 -14.081 1.00 0.00 H ATOM 690 2HD ARG A 42 9.027 3.463 -14.123 1.00 0.00 H ATOM 691 HE ARG A 42 9.569 3.487 -16.368 1.00 0.00 H ATOM 692 1HH1 ARG A 42 10.234 0.318 -15.006 1.00 0.00 H ATOM 693 2HH1 ARG A 42 10.464 -0.442 -16.565 1.00 0.00 H ATOM 694 1HH2 ARG A 42 9.869 2.489 -18.386 1.00 0.00 H ATOM 695 2HH2 ARG A 42 10.257 0.786 -18.479 1.00 0.00 H ATOM 696 N ARG A 43 12.664 0.280 -11.515 1.00 0.00 N ATOM 697 CA ARG A 43 13.665 -0.711 -11.888 1.00 0.00 C ATOM 698 C ARG A 43 13.278 -2.098 -11.389 1.00 0.00 C ATOM 699 O ARG A 43 12.611 -2.236 -10.364 1.00 0.00 O ATOM 700 OXT ARG A 43 13.624 -3.072 -11.997 1.00 0.00 O ATOM 701 CB ARG A 43 15.028 -0.334 -11.324 1.00 0.00 C ATOM 702 CG ARG A 43 16.169 -1.247 -11.745 1.00 0.00 C ATOM 703 CD ARG A 43 17.463 -0.815 -11.158 1.00 0.00 C ATOM 704 NE ARG A 43 17.870 0.493 -11.644 1.00 0.00 N ATOM 705 CZ ARG A 43 18.490 0.713 -12.820 1.00 0.00 C ATOM 706 NH1 ARG A 43 18.767 -0.296 -13.616 1.00 0.00 N ATOM 707 NH2 ARG A 43 18.820 1.943 -13.173 1.00 0.00 N ATOM 708 H ARG A 43 12.842 0.888 -10.728 1.00 0.00 H ATOM 709 HA ARG A 43 13.738 -0.739 -12.976 1.00 0.00 H ATOM 710 1HB ARG A 43 15.283 0.677 -11.637 1.00 0.00 H ATOM 711 2HB ARG A 43 14.985 -0.340 -10.235 1.00 0.00 H ATOM 712 1HG ARG A 43 15.963 -2.264 -11.411 1.00 0.00 H ATOM 713 2HG ARG A 43 16.264 -1.234 -12.831 1.00 0.00 H ATOM 714 1HD ARG A 43 17.370 -0.762 -10.073 1.00 0.00 H ATOM 715 2HD ARG A 43 18.239 -1.533 -11.420 1.00 0.00 H ATOM 716 HE ARG A 43 17.673 1.294 -11.059 1.00 0.00 H ATOM 717 1HH1 ARG A 43 18.515 -1.236 -13.346 1.00 0.00 H ATOM 718 2HH1 ARG A 43 19.232 -0.131 -14.497 1.00 0.00 H ATOM 719 1HH2 ARG A 43 18.607 2.719 -12.561 1.00 0.00 H ATOM 720 2HH2 ARG A 43 19.284 2.108 -14.054 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE start10_0088_0002.pdb label fa_atr fa_rep fa_sol fa_intra_atr_xover4 fa_intra_rep_xover4 fa_intra_sol_xover4 lk_ball lk_ball_iso lk_ball_bridge lk_ball_bridge_uncpl fa_elec fa_intra_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun_dev fa_dun_rot fa_dun_semi p_aa_pp hxl_tors ref rama_prepro gen_bonded total weights 1 0.55 1 1 0.55 1 0.92 -0.38 -0.33 -0.33 1 1 1.25 1 1 1 1 1.25 0.48 0.69 0.76 0.78 0.61 1 1 0.5 1 NA pose -186.129 37.5007 138.398 -22.5626 47.5299 15.9253 78.5962 -80.0379 -0.26093 -2.45551 -46.4561 -13.749 0 -22.8583 -6.68285 0 -1.59429 0 4.26452 214.052 39.3765 34.6176 -9.2206 7.81782 -8.66594 4.27786 0 221.684 ASP:NtermProteinFull_1 -3.24284 0.37124 3.01786 -0.12007 0.01577 0.35508 1.69242 -1.51074 -0 -0 -0.91097 -1.12156 0 0 0 0 0 0 0.01304 0 0 2.18224 0 0 -2.3716 0 0 -1.63015 VAL_2 -5.30333 1.56996 1.58003 -0.32788 0.91103 0.07048 1.43048 -1.59101 -0 -0 -1.16258 0.78817 0 0 0 0 0 0 0.05539 30.0354 1.50261 0 -0.1937 0 1.9342 0.06642 0 31.3657 VAL_3 -6.04496 4.423 2.1453 -0.32195 0.87804 0.06764 1.56223 -1.93367 -0 -0 -0.26486 0.88399 0 0 0 0 0 0 0.45685 27.8824 2.33896 0 -0.30542 0 1.9342 0.30058 0 34.0023 HIS_D_4 -5.01653 2.59645 5.19209 -0.67252 0.01129 0.67696 2.23412 -2.44676 -0.01751 -0.1811 -0.06966 -0.3185 0 0 0 0 0 0 0.04496 0 0 1.52975 -0.38131 0 -0.45461 1.12059 0 3.8477 ILE_5 -6.08355 0.38573 4.79252 -0.52091 0.71504 0.10426 2.4942 -2.70866 -0.0003 -0.00138 -1.90228 0.01413 0 0 0 0 0 0 -0.04905 0 0.90689 0 -0.23036 0 0.73287 0.95621 0 -0.39464 LEU_6 -8.3365 3.17737 3.4534 -0.70913 2.83726 0.33594 3.08152 -2.77421 -0 -0 -2.06338 -0.1262 0 0 0 0 0 0 0.13195 0 1.71739 0 -0.24691 0 0.18072 0.14815 0 0.80738 GLU_7 -4.60517 0.23468 5.36114 -0.33635 0.06332 0.36696 2.55574 -2.56074 -0.02854 -0.29936 -2.38154 -0.62372 0 0 0 0 0 0 0.31074 0 0 4.11693 -0.20994 0 -2.7348 -0.05706 0 -0.82771 GLU_8 -5.87773 0.48512 6.7487 -0.4444 0.06056 0.86744 3.15332 -3.04753 -0.01267 -0.14269 -2.38803 -0.5061 0 0 0 0 0 0 -0.03575 0 0 3.67062 -0.26402 0 -2.7348 -0.34271 0 -0.81067 GLY_9 -5.43796 0.30743 5.66716 -5e-05 0 0 3.89787 -3.05395 -0 -0 -2.75433 -0.41464 0 0 0 0 0 0 0.3678 0 0 0 0.5499 0 0.83697 0.18154 0 0.14775 LEU_10 -5.03399 0.78319 3.67081 -0.51085 0.65671 0.12019 1.95973 -2.19613 -0 -0 -0.92021 0.27789 0 0 0 0 0 0 0.17176 0 0.42356 0 -0.26066 0 0.18072 0.41988 0 -0.25742 ARG_11 -3.03806 0.19409 3.61252 -1.60894 0.63441 1.56731 1.68054 -1.65199 -0 -0 -0.79589 -1.15671 0 0 0 0 0 0 -0.05941 0 3.36074 0 -0.149 0 -1.2888 -0.06686 0 1.23396 ARG_12 -5.5206 0.38708 5.00787 -0.67273 0.11262 0.46014 2.09784 -2.45279 -0.0003 -0.00138 -1.17328 0.45533 0 0 0 0 0 0 -0.04045 0 1.58454 0 -0.04168 0 -1.2888 -0.32573 0 -1.41233 GLY_13 -1.89378 0.15941 2.54869 -5e-05 0 0 1.55589 -1.27503 -0 -0 -0.58308 -0.40934 0 0 0 0 0 0 0.48132 0 0 0 -0.58246 0 0.83697 -0.27622 0 0.56231 THR_14 -3.80463 0.31284 2.66743 -0.22404 0.17445 0.09023 1.41219 -1.71279 -0.00798 -0.14269 -0.65076 -1.0922 0 0 0 0 0 0 0.00746 0 2.00265 0 -0.33847 2.30378 -1.0874 -0.22398 0 -0.3139 SER_15 -2.5583 0.33189 1.55042 -0.03749 0 0.08223 0.59996 -0.91562 -0.01571 -0.23156 -0.20034 -0.2342 0 0 0 0 0 0 -0.00619 0 1.42896 0 0.30487 0.6 -0.77834 -0.14302 0 -0.22241 VAL_16 -4.84334 0.94665 1.46612 -0.37931 1.05179 0.08765 1.97634 -1.69738 -0 -0 -1.0284 -0.55449 0 0 0 0 0 0 0.15248 23.2227 0.77845 0 -0.51081 0 1.9342 -0.01632 0 22.5864 THR_17 -3.15153 0.43275 1.10908 -0.17555 0.12254 0.06285 0.43608 -0.99936 -0.0073 -0.11861 -0.4606 -0.12273 0 0 0 0 0 0 0.17562 0 0.14795 0 -0.15008 2.31392 -1.0874 -0.06632 0 -1.53869 ILE_18 -6.54398 1.99357 2.04423 -0.6344 1.15938 0.11197 2.33465 -1.90654 -0 -0 -1.75751 0.42774 0 0 0 0 0 0 0.25016 0 1.04848 0 -0.65892 0 0.73287 -0.18189 0 -1.58021 GLU_19 -2.53263 0.45424 1.24976 -0.2255 0.03754 0.3738 0.29595 -0.78372 -0.00133 -0.00572 -0.53899 -0.53263 0 0 0 0 0 0 0.2149 0 0 3.24007 0.31623 0 -2.7348 0.07907 0 -1.09377 VAL_20 -3.32569 1.09734 2.26225 -0.39475 2.81936 0.09048 1.81396 -1.49879 -0 -0 -1.50099 -0.89514 0 0 0 0 0 0 0.31141 17.4447 1.11554 0 -0.60664 0 1.9342 0.22613 0 20.8934 GLY_21 -1.12002 0.11106 0.90922 -0.00015 0 0 0.31839 -0.57318 -0 -0 0.47851 -0.31856 0 0 0 0 0 0 -0.17957 0 0 0 -1.27069 0 0.83697 0.64105 0 -0.16698 VAL_22 -1.89212 0.09003 1.33549 -0.38826 23.8133 0.08215 0.28683 -0.731 -0 -0 -0.04748 -1.20534 0 0 0 0 0 0 0.75727 51.9249 0.07662 0 0.23327 0 1.9342 0.923 0 77.1929 ARG_23 -3.6527 0.19462 3.60678 -1.08554 0.61707 0.585 2.23474 -1.74381 -0.00924 -0.08539 -1.37765 0.29759 0 0 0 0 0 0 -0.01431 0 2.36625 0 -0.02426 0 -1.2888 0.13731 0 0.75765 ILE_24 -3.60473 0.506 1.5994 -0.48082 0.67418 0.09986 0.42241 -1.12886 -0.00924 -0.08539 -0.41883 0.03085 0 0 0 0 0 0 -0.00634 0 0.32233 0 -0.69804 0 0.73287 -0.29037 0 -2.33472 VAL_25 -6.07682 0.70671 1.3749 -0.39305 2.14775 0.08989 2.32982 -1.7539 -0 -0 -1.6754 -0.66864 0 0 0 0 0 0 -0.02609 16.8283 1.03521 0 -0.78519 0 1.9342 -0.38293 0 14.6848 ARG_26 -4.03471 0.30911 2.07498 -0.62606 0.17847 0.42094 0.97559 -1.36637 -0.03498 -0.25886 -0.97037 -0.06601 0 0 0 0 0 0 0.09946 0 2.58994 0 0.07853 0 -1.2888 -0.10427 0 -2.02342 VAL_27 -6.31512 4.2302 0.95213 -0.39353 1.92118 0.08957 2.21727 -1.67969 -0 -0 -1.32986 -0.44801 0 0 0 0 0 0 0.35379 11.5476 1.8253 0 -0.78641 0 1.9342 -0.12244 0 13.9962 THR_28 -3.77082 0.23672 2.60613 -0.20988 0.1641 0.07688 1.48396 -1.59539 -0.02306 -0.18882 -1.15384 -1.11185 0 0 0 0 0 0 0.02347 0 0.91578 0 -0.05339 2.60012 -1.0874 -0.03199 0 -1.11928 GLU_29 -1.49139 0.2513 1.47764 -0.30752 0.05827 0.38381 0.41685 -0.76294 -0.01224 -0.08781 0.37247 -0.3273 0 0 0 0 0 0 -0.07778 0 0 2.74534 0.03046 0 -2.7348 0.30005 0 0.23441 GLY_30 -1.21501 0.02921 1.43585 -5e-05 0 0 0.40682 -0.71979 -0 -0 -0.04836 -0.42437 0 0 0 0 0 0 0.17723 0 0 0 -1.21133 0 0.83697 -0.24849 0 -0.98131 GLY_31 -3.46208 1.4396 3.61974 -0.00024 0 0 2.10807 -1.97663 -0 -0 -0.57245 -0.30683 0 0 0 0 0 0 -0.02508 0 0 0 1.22133 0 0.83697 0.4567 0 3.3391 GLU_32 -2.56302 0.06869 3.18777 -0.21696 0.03054 0.30627 1.32868 -1.4919 -0.01869 -0.16316 -0.32381 -0.601 0 0 0 0 0 0 0.01015 0 0 3.0327 -0.3353 0 -2.7348 0.54954 0 0.06571 PHE_33 -5.7285 0.4363 3.58573 -0.88474 0.04587 0.27681 2.34354 -2.25056 -0.00061 -0.00482 -1.32911 -0.0223 0 0 0 0 0 0 0.02606 0 0 1.73157 -0.47427 0 1.0402 0.16131 0 -1.04754 VAL_34 -7.83961 4.43866 3.31799 -0.32972 0.93266 0.07123 2.69101 -2.76196 -0.02592 -0.13383 -1.0538 0.7478 0 0 0 0 0 0 -0.05826 35.1663 1.16226 0 -0.00788 0 1.9342 0.59609 0 38.8472 GLU_35 -4.68848 1.14012 5.13275 -0.21726 0.03032 0.30634 2.08389 -2.45908 -0.01869 -0.16316 -1.41105 -0.60172 0 0 0 0 0 0 0.09368 0 0 3.02235 -0.33739 0 -2.7348 -0.06486 0 -0.88704 GLU_36 -4.07768 0.18422 5.19764 -0.65147 0.18081 1.20751 2.71914 -2.39869 -0 -0 -2.23896 -0.6262 0 0 0 0 0 0 0.02466 0 0 3.28585 -0.2142 0 -2.7348 -0.34242 0 -0.48459 LEU_37 -6.43096 0.73515 3.71707 -0.71039 2.82092 0.33844 2.51386 -2.44562 -0 -0 -2.24836 -0.12969 0 0 0 0 0 0 0.04758 0 1.7886 0 -0.25404 0 0.18072 -0.03694 0 -0.11365 TRP_38 -5.48631 0.21243 4.95678 -1.316 0.08939 0.5429 2.50358 -2.57725 -0.0166 -0.1598 -2.42109 -0.2554 0 0 0 0 0 0 0.05627 0 0 1.76837 -0.14121 0 1.6906 0.09675 0 -0.45659 HIS_D_39 -5.46444 0.20723 6.18974 -0.71967 0.01329 0.78321 3.17189 -2.94662 -0 -0 -2.55315 -0.28219 0 0 0 0 -0.79714 0 0.02642 0 0 1.82003 0.01494 0 -0.45461 0.12838 0 -0.86269 ARG_40 -4.10099 0.15061 5.23679 -1.56471 0.57895 1.44836 2.22083 -2.38009 -0 -0 -0.47004 -0.88821 0 0 0 0 0 0 0.00781 0 3.19599 0 -0.0756 0 -1.2888 0.15874 0 2.22965 TRP_41 -4.60093 0.99021 3.3246 -1.15116 0.03748 0.60707 1.66774 -1.93926 -0 -0 -0.56022 -0.3489 0 0 0 0 0 0 0.02057 0 0 2.47179 -0.0416 0 1.6906 0.09523 0 2.26321 ARG_42 -3.03183 0.08592 3.39258 -1.60077 0.62225 1.54112 1.3517 -1.52784 -0 -0 -0.97287 -1.09684 0 0 0 0 0 0 -0.02748 0 3.34164 0 -0.12895 0 -1.2888 -0.0582 0 0.60165 ARG:CtermProteinFull_43 -3.28573 0.10261 5.01913 -0.99783 0.31202 0.77635 2.5346 -2.11005 -0 -0 -0.62272 0.16505 0 0 0 0 -0.79714 0 0 0 2.39983 0 0 0 -1.2888 -0.08185 0 2.12546 #END_POSE_ENERGIES_TABLE start10_0088_0002.pdb score_per_res -1.33638 total_score -57.4643
HEEH_KT_rd6_6934.pdb
ATOM 1 N SER A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA SER A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C SER A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O SER A 1 1.392 2.335 -0.545 1.00 0.00 O ATOM 5 CB SER A 1 1.980 -0.754 -1.207 1.00 0.00 C ATOM 6 OG SER A 1 1.622 -2.108 -1.147 1.00 0.00 O ATOM 7 1H SER A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 8 2H SER A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 9 3H SER A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 10 HA SER A 1 1.804 -0.509 0.900 1.00 0.00 H ATOM 11 1HB SER A 1 1.577 -0.309 -2.117 1.00 0.00 H ATOM 12 2HB SER A 1 3.064 -0.664 -1.252 1.00 0.00 H ATOM 13 HG SER A 1 1.986 -2.513 -1.938 1.00 0.00 H ATOM 14 N ARG A 2 3.173 1.597 0.615 1.00 0.00 N ATOM 15 CA ARG A 2 3.815 2.905 0.680 1.00 0.00 C ATOM 16 C ARG A 2 4.100 3.448 -0.716 1.00 0.00 C ATOM 17 O ARG A 2 3.882 4.627 -0.990 1.00 0.00 O ATOM 18 CB ARG A 2 5.114 2.826 1.466 1.00 0.00 C ATOM 19 CG ARG A 2 4.945 2.620 2.963 1.00 0.00 C ATOM 20 CD ARG A 2 6.215 2.850 3.697 1.00 0.00 C ATOM 21 NE ARG A 2 7.238 1.886 3.325 1.00 0.00 N ATOM 22 CZ ARG A 2 7.403 0.682 3.907 1.00 0.00 C ATOM 23 NH1 ARG A 2 6.605 0.310 4.884 1.00 0.00 N ATOM 24 NH2 ARG A 2 8.365 -0.125 3.496 1.00 0.00 N ATOM 25 H ARG A 2 3.627 0.806 1.048 1.00 0.00 H ATOM 26 HA ARG A 2 3.143 3.595 1.191 1.00 0.00 H ATOM 27 1HB ARG A 2 5.719 2.003 1.087 1.00 0.00 H ATOM 28 2HB ARG A 2 5.684 3.744 1.322 1.00 0.00 H ATOM 29 1HG ARG A 2 4.198 3.317 3.344 1.00 0.00 H ATOM 30 2HG ARG A 2 4.618 1.597 3.155 1.00 0.00 H ATOM 31 1HD ARG A 2 6.590 3.848 3.472 1.00 0.00 H ATOM 32 2HD ARG A 2 6.038 2.762 4.768 1.00 0.00 H ATOM 33 HE ARG A 2 7.871 2.137 2.577 1.00 0.00 H ATOM 34 1HH1 ARG A 2 5.870 0.927 5.198 1.00 0.00 H ATOM 35 2HH1 ARG A 2 6.729 -0.592 5.320 1.00 0.00 H ATOM 36 1HH2 ARG A 2 8.979 0.161 2.745 1.00 0.00 H ATOM 37 2HH2 ARG A 2 8.489 -1.027 3.932 1.00 0.00 H ATOM 38 N GLU A 3 4.592 2.579 -1.593 1.00 0.00 N ATOM 39 CA GLU A 3 5.041 2.997 -2.916 1.00 0.00 C ATOM 40 C GLU A 3 3.897 3.603 -3.720 1.00 0.00 C ATOM 41 O GLU A 3 4.054 4.652 -4.346 1.00 0.00 O ATOM 42 CB GLU A 3 5.639 1.810 -3.676 1.00 0.00 C ATOM 43 CG GLU A 3 6.184 2.156 -5.054 1.00 0.00 C ATOM 44 CD GLU A 3 6.806 0.977 -5.750 1.00 0.00 C ATOM 45 OE1 GLU A 3 6.836 -0.082 -5.171 1.00 0.00 O ATOM 46 OE2 GLU A 3 7.251 1.137 -6.862 1.00 0.00 O ATOM 47 H GLU A 3 4.655 1.604 -1.337 1.00 0.00 H ATOM 48 HA GLU A 3 5.821 3.750 -2.794 1.00 0.00 H ATOM 49 1HB GLU A 3 6.452 1.377 -3.093 1.00 0.00 H ATOM 50 2HB GLU A 3 4.879 1.038 -3.801 1.00 0.00 H ATOM 51 1HG GLU A 3 5.371 2.539 -5.669 1.00 0.00 H ATOM 52 2HG GLU A 3 6.928 2.945 -4.951 1.00 0.00 H ATOM 53 N GLU A 4 2.748 2.937 -3.699 1.00 0.00 N ATOM 54 CA GLU A 4 1.599 3.369 -4.483 1.00 0.00 C ATOM 55 C GLU A 4 0.996 4.650 -3.921 1.00 0.00 C ATOM 56 O GLU A 4 0.566 5.527 -4.670 1.00 0.00 O ATOM 57 CB GLU A 4 0.536 2.269 -4.523 1.00 0.00 C ATOM 58 CG GLU A 4 0.939 1.034 -5.316 1.00 0.00 C ATOM 59 CD GLU A 4 -0.108 -0.045 -5.291 1.00 0.00 C ATOM 60 OE1 GLU A 4 -1.075 0.108 -4.584 1.00 0.00 O ATOM 61 OE2 GLU A 4 0.059 -1.023 -5.981 1.00 0.00 O ATOM 62 H GLU A 4 2.669 2.111 -3.123 1.00 0.00 H ATOM 63 HA GLU A 4 1.929 3.558 -5.506 1.00 0.00 H ATOM 64 1HB GLU A 4 0.303 1.952 -3.506 1.00 0.00 H ATOM 65 2HB GLU A 4 -0.381 2.663 -4.961 1.00 0.00 H ATOM 66 1HG GLU A 4 1.122 1.323 -6.350 1.00 0.00 H ATOM 67 2HG GLU A 4 1.869 0.640 -4.908 1.00 0.00 H ATOM 68 N HIS A 5 0.968 4.753 -2.596 1.00 0.00 N ATOM 69 CA HIS A 5 0.507 5.964 -1.931 1.00 0.00 C ATOM 70 C HIS A 5 1.317 7.177 -2.372 1.00 0.00 C ATOM 71 O HIS A 5 0.756 8.209 -2.741 1.00 0.00 O ATOM 72 CB HIS A 5 0.590 5.812 -0.409 1.00 0.00 C ATOM 73 CG HIS A 5 0.135 7.023 0.343 1.00 0.00 C ATOM 74 ND1 HIS A 5 -1.190 7.398 0.417 1.00 0.00 N ATOM 75 CD2 HIS A 5 0.827 7.944 1.053 1.00 0.00 C ATOM 76 CE1 HIS A 5 -1.293 8.499 1.142 1.00 0.00 C ATOM 77 NE2 HIS A 5 -0.084 8.850 1.539 1.00 0.00 N ATOM 78 H HIS A 5 1.275 3.970 -2.036 1.00 0.00 H ATOM 79 HA HIS A 5 -0.539 6.127 -2.196 1.00 0.00 H ATOM 80 1HB HIS A 5 -0.020 4.965 -0.094 1.00 0.00 H ATOM 81 2HB HIS A 5 1.619 5.598 -0.121 1.00 0.00 H ATOM 82 HD1 HIS A 5 -1.971 6.885 0.059 1.00 0.00 H ATOM 83 HD2 HIS A 5 1.888 8.065 1.275 1.00 0.00 H ATOM 84 HE1 HIS A 5 -2.266 8.957 1.320 1.00 0.00 H ATOM 85 N ALA A 6 2.638 7.046 -2.330 1.00 0.00 N ATOM 86 CA ALA A 6 3.528 8.149 -2.671 1.00 0.00 C ATOM 87 C ALA A 6 3.272 8.645 -4.089 1.00 0.00 C ATOM 88 O ALA A 6 3.286 9.848 -4.347 1.00 0.00 O ATOM 89 CB ALA A 6 4.981 7.726 -2.512 1.00 0.00 C ATOM 90 H ALA A 6 3.036 6.160 -2.054 1.00 0.00 H ATOM 91 HA ALA A 6 3.345 8.969 -1.976 1.00 0.00 H ATOM 92 1HB ALA A 6 5.633 8.560 -2.770 1.00 0.00 H ATOM 93 2HB ALA A 6 5.163 7.429 -1.479 1.00 0.00 H ATOM 94 3HB ALA A 6 5.189 6.886 -3.173 1.00 0.00 H ATOM 95 N ARG A 7 3.041 7.710 -5.004 1.00 0.00 N ATOM 96 CA ARG A 7 2.801 8.049 -6.401 1.00 0.00 C ATOM 97 C ARG A 7 1.442 8.713 -6.583 1.00 0.00 C ATOM 98 O ARG A 7 1.266 9.557 -7.461 1.00 0.00 O ATOM 99 CB ARG A 7 2.875 6.805 -7.274 1.00 0.00 C ATOM 100 CG ARG A 7 4.251 6.164 -7.359 1.00 0.00 C ATOM 101 CD ARG A 7 5.233 7.058 -8.024 1.00 0.00 C ATOM 102 NE ARG A 7 4.783 7.474 -9.342 1.00 0.00 N ATOM 103 CZ ARG A 7 5.295 8.511 -10.033 1.00 0.00 C ATOM 104 NH1 ARG A 7 6.272 9.225 -9.520 1.00 0.00 N ATOM 105 NH2 ARG A 7 4.815 8.810 -11.228 1.00 0.00 N ATOM 106 H ARG A 7 3.028 6.739 -4.724 1.00 0.00 H ATOM 107 HA ARG A 7 3.577 8.743 -6.727 1.00 0.00 H ATOM 108 1HB ARG A 7 2.184 6.054 -6.895 1.00 0.00 H ATOM 109 2HB ARG A 7 2.564 7.054 -8.289 1.00 0.00 H ATOM 110 1HG ARG A 7 4.612 5.944 -6.354 1.00 0.00 H ATOM 111 2HG ARG A 7 4.186 5.238 -7.932 1.00 0.00 H ATOM 112 1HD ARG A 7 5.382 7.950 -7.416 1.00 0.00 H ATOM 113 2HD ARG A 7 6.182 6.534 -8.137 1.00 0.00 H ATOM 114 HE ARG A 7 4.032 6.949 -9.770 1.00 0.00 H ATOM 115 1HH1 ARG A 7 6.639 8.996 -8.607 1.00 0.00 H ATOM 116 2HH1 ARG A 7 6.656 10.002 -10.038 1.00 0.00 H ATOM 117 1HH2 ARG A 7 4.064 8.261 -11.623 1.00 0.00 H ATOM 118 2HH2 ARG A 7 5.199 9.586 -11.746 1.00 0.00 H ATOM 119 N HIS A 8 0.485 8.327 -5.747 1.00 0.00 N ATOM 120 CA HIS A 8 -0.887 8.802 -5.883 1.00 0.00 C ATOM 121 C HIS A 8 -0.980 10.300 -5.628 1.00 0.00 C ATOM 122 O HIS A 8 -1.495 11.050 -6.458 1.00 0.00 O ATOM 123 CB HIS A 8 -1.816 8.056 -4.920 1.00 0.00 C ATOM 124 CG HIS A 8 -3.237 8.522 -4.971 1.00 0.00 C ATOM 125 ND1 HIS A 8 -4.076 8.236 -6.028 1.00 0.00 N ATOM 126 CD2 HIS A 8 -3.968 9.256 -4.099 1.00 0.00 C ATOM 127 CE1 HIS A 8 -5.262 8.774 -5.802 1.00 0.00 C ATOM 128 NE2 HIS A 8 -5.222 9.397 -4.639 1.00 0.00 N ATOM 129 H HIS A 8 0.713 7.690 -4.998 1.00 0.00 H ATOM 130 HA HIS A 8 -1.225 8.598 -6.900 1.00 0.00 H ATOM 131 1HB HIS A 8 -1.798 6.990 -5.149 1.00 0.00 H ATOM 132 2HB HIS A 8 -1.454 8.177 -3.899 1.00 0.00 H ATOM 133 HD1 HIS A 8 -3.865 7.647 -6.808 1.00 0.00 H ATOM 134 HD2 HIS A 8 -3.735 9.705 -3.133 1.00 0.00 H ATOM 135 HE1 HIS A 8 -6.070 8.659 -6.524 1.00 0.00 H ATOM 136 N VAL A 9 -0.480 10.731 -4.474 1.00 0.00 N ATOM 137 CA VAL A 9 -0.690 12.098 -4.011 1.00 0.00 C ATOM 138 C VAL A 9 0.035 13.098 -4.902 1.00 0.00 C ATOM 139 O VAL A 9 -0.267 14.292 -4.884 1.00 0.00 O ATOM 140 CB VAL A 9 -0.194 12.254 -2.561 1.00 0.00 C ATOM 141 CG1 VAL A 9 0.366 10.936 -2.046 1.00 0.00 C ATOM 142 CG2 VAL A 9 0.856 13.352 -2.488 1.00 0.00 C ATOM 143 H VAL A 9 0.060 10.096 -3.905 1.00 0.00 H ATOM 144 HA VAL A 9 -1.759 12.313 -4.041 1.00 0.00 H ATOM 145 HB VAL A 9 -1.039 12.515 -1.924 1.00 0.00 H ATOM 146 1HG1 VAL A 9 0.711 11.064 -1.019 1.00 0.00 H ATOM 147 2HG1 VAL A 9 -0.413 10.174 -2.073 1.00 0.00 H ATOM 148 3HG1 VAL A 9 1.201 10.626 -2.673 1.00 0.00 H ATOM 149 1HG2 VAL A 9 1.201 13.457 -1.459 1.00 0.00 H ATOM 150 2HG2 VAL A 9 1.698 13.093 -3.129 1.00 0.00 H ATOM 151 3HG2 VAL A 9 0.421 14.294 -2.822 1.00 0.00 H ATOM 152 N ILE A 10 0.993 12.606 -5.680 1.00 0.00 N ATOM 153 CA ILE A 10 1.776 13.460 -6.565 1.00 0.00 C ATOM 154 C ILE A 10 1.009 13.782 -7.841 1.00 0.00 C ATOM 155 O ILE A 10 0.906 14.943 -8.238 1.00 0.00 O ATOM 156 CB ILE A 10 3.116 12.793 -6.925 1.00 0.00 C ATOM 157 CG1 ILE A 10 4.006 12.677 -5.685 1.00 0.00 C ATOM 158 CG2 ILE A 10 3.823 13.578 -8.019 1.00 0.00 C ATOM 159 CD1 ILE A 10 5.150 11.702 -5.843 1.00 0.00 C ATOM 160 H ILE A 10 1.182 11.614 -5.658 1.00 0.00 H ATOM 161 HA ILE A 10 1.993 14.393 -6.043 1.00 0.00 H ATOM 162 HB ILE A 10 2.935 11.779 -7.279 1.00 0.00 H ATOM 163 1HG1 ILE A 10 4.421 13.655 -5.442 1.00 0.00 H ATOM 164 2HG1 ILE A 10 3.403 12.359 -4.833 1.00 0.00 H ATOM 165 1HG2 ILE A 10 4.769 13.094 -8.262 1.00 0.00 H ATOM 166 2HG2 ILE A 10 3.194 13.611 -8.908 1.00 0.00 H ATOM 167 3HG2 ILE A 10 4.014 14.594 -7.673 1.00 0.00 H ATOM 168 1HD1 ILE A 10 5.734 11.674 -4.923 1.00 0.00 H ATOM 169 2HD1 ILE A 10 4.754 10.707 -6.051 1.00 0.00 H ATOM 170 3HD1 ILE A 10 5.787 12.019 -6.667 1.00 0.00 H ATOM 171 N ARG A 11 0.472 12.747 -8.480 1.00 0.00 N ATOM 172 CA ARG A 11 -0.338 12.925 -9.679 1.00 0.00 C ATOM 173 C ARG A 11 -1.713 13.484 -9.337 1.00 0.00 C ATOM 174 O ARG A 11 -2.270 14.288 -10.085 1.00 0.00 O ATOM 175 CB ARG A 11 -0.498 11.604 -10.417 1.00 0.00 C ATOM 176 CG ARG A 11 -1.357 11.672 -11.670 1.00 0.00 C ATOM 177 CD ARG A 11 -0.731 12.516 -12.719 1.00 0.00 C ATOM 178 NE ARG A 11 -1.569 12.621 -13.903 1.00 0.00 N ATOM 179 CZ ARG A 11 -2.572 13.508 -14.053 1.00 0.00 C ATOM 180 NH1 ARG A 11 -2.848 14.359 -13.089 1.00 0.00 N ATOM 181 NH2 ARG A 11 -3.278 13.524 -15.171 1.00 0.00 N ATOM 182 H ARG A 11 0.630 11.815 -8.125 1.00 0.00 H ATOM 183 HA ARG A 11 0.171 13.628 -10.340 1.00 0.00 H ATOM 184 1HB ARG A 11 0.482 11.229 -10.708 1.00 0.00 H ATOM 185 2HB ARG A 11 -0.946 10.867 -9.750 1.00 0.00 H ATOM 186 1HG ARG A 11 -1.492 10.668 -12.073 1.00 0.00 H ATOM 187 2HG ARG A 11 -2.330 12.097 -11.422 1.00 0.00 H ATOM 188 1HD ARG A 11 -0.566 13.520 -12.328 1.00 0.00 H ATOM 189 2HD ARG A 11 0.223 12.081 -13.015 1.00 0.00 H ATOM 190 HE ARG A 11 -1.387 11.983 -14.666 1.00 0.00 H ATOM 191 1HH1 ARG A 11 -2.309 14.347 -12.236 1.00 0.00 H ATOM 192 2HH1 ARG A 11 -3.600 15.023 -13.202 1.00 0.00 H ATOM 193 1HH2 ARG A 11 -3.066 12.870 -15.912 1.00 0.00 H ATOM 194 2HH2 ARG A 11 -4.029 14.188 -15.284 1.00 0.00 H ATOM 195 N ARG A 12 -2.256 13.053 -8.204 1.00 0.00 N ATOM 196 CA ARG A 12 -3.606 13.437 -7.807 1.00 0.00 C ATOM 197 C ARG A 12 -3.660 14.898 -7.382 1.00 0.00 C ATOM 198 O ARG A 12 -4.698 15.550 -7.493 1.00 0.00 O ATOM 199 CB ARG A 12 -4.098 12.561 -6.665 1.00 0.00 C ATOM 200 CG ARG A 12 -5.492 12.895 -6.158 1.00 0.00 C ATOM 201 CD ARG A 12 -6.529 12.632 -7.189 1.00 0.00 C ATOM 202 NE ARG A 12 -7.859 12.992 -6.724 1.00 0.00 N ATOM 203 CZ ARG A 12 -8.373 14.237 -6.763 1.00 0.00 C ATOM 204 NH1 ARG A 12 -7.657 15.228 -7.246 1.00 0.00 N ATOM 205 NH2 ARG A 12 -9.595 14.462 -6.314 1.00 0.00 N ATOM 206 H ARG A 12 -1.721 12.443 -7.602 1.00 0.00 H ATOM 207 HA ARG A 12 -4.260 13.316 -8.671 1.00 0.00 H ATOM 208 1HB ARG A 12 -4.104 11.519 -6.982 1.00 0.00 H ATOM 209 2HB ARG A 12 -3.412 12.643 -5.822 1.00 0.00 H ATOM 210 1HG ARG A 12 -5.717 12.285 -5.282 1.00 0.00 H ATOM 211 2HG ARG A 12 -5.538 13.950 -5.887 1.00 0.00 H ATOM 212 1HD ARG A 12 -6.311 13.217 -8.082 1.00 0.00 H ATOM 213 2HD ARG A 12 -6.531 11.573 -7.441 1.00 0.00 H ATOM 214 HE ARG A 12 -8.440 12.256 -6.344 1.00 0.00 H ATOM 215 1HH1 ARG A 12 -6.722 15.056 -7.589 1.00 0.00 H ATOM 216 2HH1 ARG A 12 -8.042 16.161 -7.275 1.00 0.00 H ATOM 217 1HH2 ARG A 12 -10.145 13.700 -5.942 1.00 0.00 H ATOM 218 2HH2 ARG A 12 -9.980 15.394 -6.343 1.00 0.00 H ATOM 219 N GLY A 13 -2.534 15.409 -6.894 1.00 0.00 N ATOM 220 CA GLY A 13 -2.428 16.816 -6.523 1.00 0.00 C ATOM 221 C GLY A 13 -2.958 17.055 -5.115 1.00 0.00 C ATOM 222 O GLY A 13 -3.563 18.090 -4.837 1.00 0.00 O ATOM 223 H GLY A 13 -1.731 14.808 -6.777 1.00 0.00 H ATOM 224 1HA GLY A 13 -1.386 17.131 -6.582 1.00 0.00 H ATOM 225 2HA GLY A 13 -2.988 17.422 -7.234 1.00 0.00 H ATOM 226 N LEU A 14 -2.726 16.092 -4.229 1.00 0.00 N ATOM 227 CA LEU A 14 -3.230 16.170 -2.863 1.00 0.00 C ATOM 228 C LEU A 14 -2.315 17.014 -1.986 1.00 0.00 C ATOM 229 O LEU A 14 -1.124 17.151 -2.265 1.00 0.00 O ATOM 230 CB LEU A 14 -3.366 14.764 -2.266 1.00 0.00 C ATOM 231 CG LEU A 14 -4.339 13.825 -2.990 1.00 0.00 C ATOM 232 CD1 LEU A 14 -4.295 12.448 -2.341 1.00 0.00 C ATOM 233 CD2 LEU A 14 -5.743 14.409 -2.936 1.00 0.00 C ATOM 234 H LEU A 14 -2.187 15.285 -4.510 1.00 0.00 H ATOM 235 HA LEU A 14 -4.217 16.632 -2.885 1.00 0.00 H ATOM 236 1HB LEU A 14 -2.386 14.290 -2.268 1.00 0.00 H ATOM 237 2HB LEU A 14 -3.700 14.856 -1.233 1.00 0.00 H ATOM 238 HG LEU A 14 -4.032 13.714 -4.030 1.00 0.00 H ATOM 239 1HD1 LEU A 14 -4.986 11.781 -2.856 1.00 0.00 H ATOM 240 2HD1 LEU A 14 -3.284 12.046 -2.411 1.00 0.00 H ATOM 241 3HD1 LEU A 14 -4.582 12.530 -1.294 1.00 0.00 H ATOM 242 1HD2 LEU A 14 -6.435 13.742 -3.451 1.00 0.00 H ATOM 243 2HD2 LEU A 14 -6.052 14.520 -1.896 1.00 0.00 H ATOM 244 3HD2 LEU A 14 -5.750 15.385 -3.422 1.00 0.00 H ATOM 245 N GLU A 15 -2.879 17.579 -0.923 1.00 0.00 N ATOM 246 CA GLU A 15 -2.097 18.340 0.045 1.00 0.00 C ATOM 247 C GLU A 15 -1.848 17.531 1.310 1.00 0.00 C ATOM 248 O GLU A 15 -2.750 17.343 2.127 1.00 0.00 O ATOM 249 CB GLU A 15 -2.810 19.647 0.397 1.00 0.00 C ATOM 250 CG GLU A 15 -2.049 20.537 1.369 1.00 0.00 C ATOM 251 CD GLU A 15 -2.774 21.816 1.682 1.00 0.00 C ATOM 252 OE1 GLU A 15 -3.833 22.025 1.141 1.00 0.00 O ATOM 253 OE2 GLU A 15 -2.267 22.586 2.464 1.00 0.00 O ATOM 254 H GLU A 15 -3.874 17.479 -0.783 1.00 0.00 H ATOM 255 HA GLU A 15 -1.136 18.588 -0.407 1.00 0.00 H ATOM 256 1HB GLU A 15 -2.988 20.221 -0.513 1.00 0.00 H ATOM 257 2HB GLU A 15 -3.782 19.424 0.838 1.00 0.00 H ATOM 258 1HG GLU A 15 -1.886 19.988 2.296 1.00 0.00 H ATOM 259 2HG GLU A 15 -1.074 20.772 0.943 1.00 0.00 H ATOM 260 N ILE A 16 -0.619 17.051 1.468 1.00 0.00 N ATOM 261 CA ILE A 16 -0.260 16.224 2.614 1.00 0.00 C ATOM 262 C ILE A 16 0.885 16.843 3.403 1.00 0.00 C ATOM 263 O ILE A 16 1.896 17.252 2.831 1.00 0.00 O ATOM 264 CB ILE A 16 0.133 14.804 2.166 1.00 0.00 C ATOM 265 CG1 ILE A 16 -1.039 14.126 1.452 1.00 0.00 C ATOM 266 CG2 ILE A 16 0.586 13.976 3.358 1.00 0.00 C ATOM 267 CD1 ILE A 16 -0.672 12.823 0.778 1.00 0.00 C ATOM 268 H ILE A 16 0.085 17.265 0.776 1.00 0.00 H ATOM 269 HA ILE A 16 -1.130 16.142 3.267 1.00 0.00 H ATOM 270 HB ILE A 16 0.949 14.863 1.446 1.00 0.00 H ATOM 271 1HG1 ILE A 16 -1.835 13.927 2.169 1.00 0.00 H ATOM 272 2HG1 ILE A 16 -1.443 14.798 0.695 1.00 0.00 H ATOM 273 1HG2 ILE A 16 0.860 12.976 3.024 1.00 0.00 H ATOM 274 2HG2 ILE A 16 1.448 14.451 3.825 1.00 0.00 H ATOM 275 3HG2 ILE A 16 -0.226 13.907 4.083 1.00 0.00 H ATOM 276 1HD1 ILE A 16 -1.554 12.403 0.294 1.00 0.00 H ATOM 277 2HD1 ILE A 16 0.100 13.006 0.030 1.00 0.00 H ATOM 278 3HD1 ILE A 16 -0.298 12.121 1.522 1.00 0.00 H ATOM 279 N GLU A 17 0.723 16.911 4.721 1.00 0.00 N ATOM 280 CA GLU A 17 1.760 17.446 5.595 1.00 0.00 C ATOM 281 C GLU A 17 2.334 16.361 6.496 1.00 0.00 C ATOM 282 O GLU A 17 1.593 15.600 7.118 1.00 0.00 O ATOM 283 CB GLU A 17 1.202 18.588 6.447 1.00 0.00 C ATOM 284 CG GLU A 17 2.221 19.239 7.371 1.00 0.00 C ATOM 285 CD GLU A 17 1.648 20.383 8.160 1.00 0.00 C ATOM 286 OE1 GLU A 17 0.745 21.021 7.675 1.00 0.00 O ATOM 287 OE2 GLU A 17 2.115 20.619 9.250 1.00 0.00 O ATOM 288 H GLU A 17 -0.142 16.582 5.126 1.00 0.00 H ATOM 289 HA GLU A 17 2.562 17.847 4.974 1.00 0.00 H ATOM 290 1HB GLU A 17 0.797 19.364 5.796 1.00 0.00 H ATOM 291 2HB GLU A 17 0.382 18.217 7.061 1.00 0.00 H ATOM 292 1HG GLU A 17 2.599 18.488 8.064 1.00 0.00 H ATOM 293 2HG GLU A 17 3.059 19.598 6.776 1.00 0.00 H ATOM 294 N VAL A 18 3.660 16.295 6.563 1.00 0.00 N ATOM 295 CA VAL A 18 4.337 15.341 7.433 1.00 0.00 C ATOM 296 C VAL A 18 5.392 16.030 8.290 1.00 0.00 C ATOM 297 O VAL A 18 5.940 17.063 7.906 1.00 0.00 O ATOM 298 CB VAL A 18 5.003 14.233 6.595 1.00 0.00 C ATOM 299 CG1 VAL A 18 4.768 14.473 5.111 1.00 0.00 C ATOM 300 CG2 VAL A 18 6.491 14.175 6.903 1.00 0.00 C ATOM 301 H VAL A 18 4.213 16.922 5.996 1.00 0.00 H ATOM 302 HA VAL A 18 3.595 14.885 8.089 1.00 0.00 H ATOM 303 HB VAL A 18 4.542 13.277 6.843 1.00 0.00 H ATOM 304 1HG1 VAL A 18 5.246 13.681 4.534 1.00 0.00 H ATOM 305 2HG1 VAL A 18 3.698 14.475 4.908 1.00 0.00 H ATOM 306 3HG1 VAL A 18 5.195 15.435 4.827 1.00 0.00 H ATOM 307 1HG2 VAL A 18 6.956 13.389 6.308 1.00 0.00 H ATOM 308 2HG2 VAL A 18 6.951 15.134 6.661 1.00 0.00 H ATOM 309 3HG2 VAL A 18 6.636 13.961 7.963 1.00 0.00 H ATOM 310 N THR A 19 5.673 15.449 9.452 1.00 0.00 N ATOM 311 CA THR A 19 6.773 15.909 10.290 1.00 0.00 C ATOM 312 C THR A 19 7.930 14.919 10.272 1.00 0.00 C ATOM 313 O THR A 19 7.752 13.736 10.559 1.00 0.00 O ATOM 314 CB THR A 19 6.309 16.136 11.740 1.00 0.00 C ATOM 315 OG1 THR A 19 5.285 17.139 11.765 1.00 0.00 O ATOM 316 CG2 THR A 19 7.473 16.584 12.610 1.00 0.00 C ATOM 317 H THR A 19 5.110 14.671 9.761 1.00 0.00 H ATOM 318 HA THR A 19 7.126 16.866 9.905 1.00 0.00 H ATOM 319 HB THR A 19 5.899 15.209 12.140 1.00 0.00 H ATOM 320 HG1 THR A 19 4.540 16.849 11.233 1.00 0.00 H ATOM 321 1HG2 THR A 19 7.126 16.739 13.631 1.00 0.00 H ATOM 322 2HG2 THR A 19 8.249 15.818 12.602 1.00 0.00 H ATOM 323 3HG2 THR A 19 7.881 17.516 12.220 1.00 0.00 H ATOM 324 N PHE A 20 9.118 15.410 9.933 1.00 0.00 N ATOM 325 CA PHE A 20 10.291 14.556 9.803 1.00 0.00 C ATOM 326 C PHE A 20 11.546 15.262 10.299 1.00 0.00 C ATOM 327 O PHE A 20 11.966 16.273 9.734 1.00 0.00 O ATOM 328 CB PHE A 20 10.482 14.130 8.346 1.00 0.00 C ATOM 329 CG PHE A 20 11.620 13.172 8.138 1.00 0.00 C ATOM 330 CD1 PHE A 20 11.484 11.830 8.463 1.00 0.00 C ATOM 331 CD2 PHE A 20 12.829 13.609 7.619 1.00 0.00 C ATOM 332 CE1 PHE A 20 12.530 10.948 8.273 1.00 0.00 C ATOM 333 CE2 PHE A 20 13.876 12.729 7.427 1.00 0.00 C ATOM 334 CZ PHE A 20 13.726 11.397 7.755 1.00 0.00 C ATOM 335 H PHE A 20 9.210 16.401 9.762 1.00 0.00 H ATOM 336 HA PHE A 20 10.135 13.658 10.403 1.00 0.00 H ATOM 337 1HB PHE A 20 9.570 13.659 7.982 1.00 0.00 H ATOM 338 2HB PHE A 20 10.663 15.011 7.730 1.00 0.00 H ATOM 339 HD1 PHE A 20 10.538 11.475 8.872 1.00 0.00 H ATOM 340 HD2 PHE A 20 12.948 14.662 7.360 1.00 0.00 H ATOM 341 HE1 PHE A 20 12.409 9.896 8.533 1.00 0.00 H ATOM 342 HE2 PHE A 20 14.821 13.086 7.017 1.00 0.00 H ATOM 343 HZ PHE A 20 14.552 10.702 7.605 1.00 0.00 H ATOM 344 N ASN A 21 12.142 14.726 11.358 1.00 0.00 N ATOM 345 CA ASN A 21 13.307 15.344 11.978 1.00 0.00 C ATOM 346 C ASN A 21 13.015 16.780 12.392 1.00 0.00 C ATOM 347 O ASN A 21 13.837 17.675 12.192 1.00 0.00 O ATOM 348 CB ASN A 21 14.501 15.291 11.041 1.00 0.00 C ATOM 349 CG ASN A 21 14.948 13.884 10.755 1.00 0.00 C ATOM 350 OD1 ASN A 21 14.370 12.919 11.268 1.00 0.00 O ATOM 351 ND2 ASN A 21 15.966 13.749 9.944 1.00 0.00 N ATOM 352 H ASN A 21 11.776 13.867 11.746 1.00 0.00 H ATOM 353 HA ASN A 21 13.552 14.790 12.885 1.00 0.00 H ATOM 354 1HB ASN A 21 14.246 15.778 10.099 1.00 0.00 H ATOM 355 2HB ASN A 21 15.333 15.841 11.481 1.00 0.00 H ATOM 356 1HD2 ASN A 21 16.307 12.836 9.717 1.00 0.00 H ATOM 357 2HD2 ASN A 21 16.403 14.558 9.551 1.00 0.00 H ATOM 358 N TRP A 22 11.838 16.996 12.970 1.00 0.00 N ATOM 359 CA TRP A 22 11.483 18.297 13.522 1.00 0.00 C ATOM 360 C TRP A 22 11.225 19.313 12.416 1.00 0.00 C ATOM 361 O TRP A 22 10.984 20.490 12.685 1.00 0.00 O ATOM 362 CB TRP A 22 12.596 18.808 14.439 1.00 0.00 C ATOM 363 CG TRP A 22 12.917 17.876 15.568 1.00 0.00 C ATOM 364 CD1 TRP A 22 13.998 17.050 15.661 1.00 0.00 C ATOM 365 CD2 TRP A 22 12.148 17.667 16.777 1.00 0.00 C ATOM 366 NE1 TRP A 22 13.954 16.345 16.838 1.00 0.00 N ATOM 367 CE2 TRP A 22 12.830 16.711 17.534 1.00 0.00 C ATOM 368 CE3 TRP A 22 10.954 18.209 17.270 1.00 0.00 C ATOM 369 CZ2 TRP A 22 12.359 16.277 18.763 1.00 0.00 C ATOM 370 CZ3 TRP A 22 10.483 17.774 18.503 1.00 0.00 C ATOM 371 CH2 TRP A 22 11.168 16.834 19.230 1.00 0.00 C ATOM 372 H TRP A 22 11.172 16.238 13.029 1.00 0.00 H ATOM 373 HA TRP A 22 10.571 18.188 14.108 1.00 0.00 H ATOM 374 1HB TRP A 22 13.504 18.966 13.857 1.00 0.00 H ATOM 375 2HB TRP A 22 12.307 19.770 14.862 1.00 0.00 H ATOM 376 HD1 TRP A 22 14.781 16.963 14.910 1.00 0.00 H ATOM 377 HE1 TRP A 22 14.637 15.666 17.143 1.00 0.00 H ATOM 378 HE3 TRP A 22 10.408 18.958 16.698 1.00 0.00 H ATOM 379 HZ2 TRP A 22 12.889 15.531 19.356 1.00 0.00 H ATOM 380 HZ3 TRP A 22 9.553 18.200 18.880 1.00 0.00 H ATOM 381 HH2 TRP A 22 10.771 16.515 20.194 1.00 0.00 H ATOM 382 N ARG A 23 11.275 18.851 11.172 1.00 0.00 N ATOM 383 CA ARG A 23 11.007 19.709 10.024 1.00 0.00 C ATOM 384 C ARG A 23 9.634 19.421 9.431 1.00 0.00 C ATOM 385 O ARG A 23 9.132 18.301 9.518 1.00 0.00 O ATOM 386 CB ARG A 23 12.070 19.517 8.952 1.00 0.00 C ATOM 387 CG ARG A 23 13.500 19.733 9.423 1.00 0.00 C ATOM 388 CD ARG A 23 13.744 21.148 9.804 1.00 0.00 C ATOM 389 NE ARG A 23 13.455 22.061 8.710 1.00 0.00 N ATOM 390 CZ ARG A 23 14.309 22.352 7.710 1.00 0.00 C ATOM 391 NH1 ARG A 23 15.499 21.794 7.678 1.00 0.00 N ATOM 392 NH2 ARG A 23 13.951 23.198 6.759 1.00 0.00 N ATOM 393 H ARG A 23 11.506 17.880 11.017 1.00 0.00 H ATOM 394 HA ARG A 23 11.035 20.748 10.354 1.00 0.00 H ATOM 395 1HB ARG A 23 12.005 18.506 8.552 1.00 0.00 H ATOM 396 2HB ARG A 23 11.886 20.208 8.129 1.00 0.00 H ATOM 397 1HG ARG A 23 13.695 19.106 10.293 1.00 0.00 H ATOM 398 2HG ARG A 23 14.191 19.469 8.622 1.00 0.00 H ATOM 399 1HD ARG A 23 13.108 21.413 10.647 1.00 0.00 H ATOM 400 2HD ARG A 23 14.789 21.273 10.085 1.00 0.00 H ATOM 401 HE ARG A 23 12.549 22.510 8.700 1.00 0.00 H ATOM 402 1HH1 ARG A 23 15.773 21.148 8.405 1.00 0.00 H ATOM 403 2HH1 ARG A 23 16.140 22.012 6.929 1.00 0.00 H ATOM 404 1HH2 ARG A 23 13.036 23.627 6.783 1.00 0.00 H ATOM 405 2HH2 ARG A 23 14.591 23.415 6.010 1.00 0.00 H ATOM 406 N THR A 24 9.030 20.439 8.827 1.00 0.00 N ATOM 407 CA THR A 24 7.733 20.286 8.179 1.00 0.00 C ATOM 408 C THR A 24 7.886 20.108 6.674 1.00 0.00 C ATOM 409 O THR A 24 8.549 20.905 6.009 1.00 0.00 O ATOM 410 CB THR A 24 6.824 21.495 8.468 1.00 0.00 C ATOM 411 OG1 THR A 24 6.599 21.601 9.880 1.00 0.00 O ATOM 412 CG2 THR A 24 5.488 21.339 7.756 1.00 0.00 C ATOM 413 H THR A 24 9.482 21.343 8.817 1.00 0.00 H ATOM 414 HA THR A 24 7.244 19.402 8.589 1.00 0.00 H ATOM 415 HB THR A 24 7.310 22.407 8.121 1.00 0.00 H ATOM 416 HG1 THR A 24 7.440 21.720 10.329 1.00 0.00 H ATOM 417 1HG2 THR A 24 4.859 22.203 7.971 1.00 0.00 H ATOM 418 2HG2 THR A 24 5.655 21.269 6.681 1.00 0.00 H ATOM 419 3HG2 THR A 24 4.994 20.434 8.106 1.00 0.00 H ATOM 420 N ILE A 25 7.271 19.058 6.143 1.00 0.00 N ATOM 421 CA ILE A 25 7.286 18.807 4.707 1.00 0.00 C ATOM 422 C ILE A 25 5.886 18.912 4.114 1.00 0.00 C ATOM 423 O ILE A 25 4.945 18.288 4.606 1.00 0.00 O ATOM 424 CB ILE A 25 7.872 17.417 4.398 1.00 0.00 C ATOM 425 CG1 ILE A 25 9.304 17.312 4.927 1.00 0.00 C ATOM 426 CG2 ILE A 25 7.832 17.143 2.903 1.00 0.00 C ATOM 427 CD1 ILE A 25 9.873 15.912 4.876 1.00 0.00 C ATOM 428 H ILE A 25 6.780 18.416 6.748 1.00 0.00 H ATOM 429 HA ILE A 25 7.923 19.553 4.231 1.00 0.00 H ATOM 430 HB ILE A 25 7.289 16.654 4.913 1.00 0.00 H ATOM 431 1HG1 ILE A 25 9.955 17.966 4.348 1.00 0.00 H ATOM 432 2HG1 ILE A 25 9.336 17.654 5.962 1.00 0.00 H ATOM 433 1HG2 ILE A 25 8.250 16.157 2.702 1.00 0.00 H ATOM 434 2HG2 ILE A 25 6.800 17.177 2.554 1.00 0.00 H ATOM 435 3HG2 ILE A 25 8.417 17.899 2.379 1.00 0.00 H ATOM 436 1HD1 ILE A 25 10.891 15.918 5.267 1.00 0.00 H ATOM 437 2HD1 ILE A 25 9.256 15.246 5.479 1.00 0.00 H ATOM 438 3HD1 ILE A 25 9.884 15.562 3.844 1.00 0.00 H ATOM 439 N ILE A 26 5.755 19.703 3.056 1.00 0.00 N ATOM 440 CA ILE A 26 4.497 19.804 2.325 1.00 0.00 C ATOM 441 C ILE A 26 4.614 19.179 0.940 1.00 0.00 C ATOM 442 O ILE A 26 5.444 19.591 0.130 1.00 0.00 O ATOM 443 CB ILE A 26 4.056 21.273 2.190 1.00 0.00 C ATOM 444 CG1 ILE A 26 3.968 21.932 3.569 1.00 0.00 C ATOM 445 CG2 ILE A 26 2.722 21.363 1.467 1.00 0.00 C ATOM 446 CD1 ILE A 26 2.978 21.270 4.500 1.00 0.00 C ATOM 447 H ILE A 26 6.547 20.250 2.749 1.00 0.00 H ATOM 448 HA ILE A 26 3.728 19.271 2.885 1.00 0.00 H ATOM 449 HB ILE A 26 4.804 21.827 1.624 1.00 0.00 H ATOM 450 1HG1 ILE A 26 4.948 21.915 4.044 1.00 0.00 H ATOM 451 2HG1 ILE A 26 3.679 22.978 3.455 1.00 0.00 H ATOM 452 1HG2 ILE A 26 2.424 22.408 1.381 1.00 0.00 H ATOM 453 2HG2 ILE A 26 2.817 20.930 0.472 1.00 0.00 H ATOM 454 3HG2 ILE A 26 1.965 20.816 2.029 1.00 0.00 H ATOM 455 1HD1 ILE A 26 2.972 21.793 5.457 1.00 0.00 H ATOM 456 2HD1 ILE A 26 1.982 21.307 4.059 1.00 0.00 H ATOM 457 3HD1 ILE A 26 3.267 20.231 4.658 1.00 0.00 H ATOM 458 N VAL A 27 3.777 18.181 0.674 1.00 0.00 N ATOM 459 CA VAL A 27 3.803 17.480 -0.603 1.00 0.00 C ATOM 460 C VAL A 27 2.681 17.955 -1.516 1.00 0.00 C ATOM 461 O VAL A 27 1.510 17.943 -1.135 1.00 0.00 O ATOM 462 CB VAL A 27 3.672 15.961 -0.381 1.00 0.00 C ATOM 463 CG1 VAL A 27 3.645 15.228 -1.714 1.00 0.00 C ATOM 464 CG2 VAL A 27 4.818 15.464 0.486 1.00 0.00 C ATOM 465 H VAL A 27 3.106 17.903 1.376 1.00 0.00 H ATOM 466 HA VAL A 27 4.759 17.680 -1.089 1.00 0.00 H ATOM 467 HB VAL A 27 2.724 15.757 0.117 1.00 0.00 H ATOM 468 1HG1 VAL A 27 3.552 14.156 -1.538 1.00 0.00 H ATOM 469 2HG1 VAL A 27 2.796 15.574 -2.302 1.00 0.00 H ATOM 470 3HG1 VAL A 27 4.569 15.427 -2.256 1.00 0.00 H ATOM 471 1HG2 VAL A 27 4.719 14.390 0.640 1.00 0.00 H ATOM 472 2HG2 VAL A 27 5.766 15.673 -0.010 1.00 0.00 H ATOM 473 3HG2 VAL A 27 4.793 15.972 1.450 1.00 0.00 H ATOM 474 N SER A 28 3.045 18.375 -2.723 1.00 0.00 N ATOM 475 CA SER A 28 2.067 18.842 -3.699 1.00 0.00 C ATOM 476 C SER A 28 2.623 18.764 -5.115 1.00 0.00 C ATOM 477 O SER A 28 3.817 18.541 -5.312 1.00 0.00 O ATOM 478 CB SER A 28 1.656 20.267 -3.386 1.00 0.00 C ATOM 479 OG SER A 28 2.721 21.154 -3.591 1.00 0.00 O ATOM 480 H SER A 28 4.025 18.373 -2.970 1.00 0.00 H ATOM 481 HA SER A 28 1.186 18.201 -3.640 1.00 0.00 H ATOM 482 1HB SER A 28 0.816 20.551 -4.019 1.00 0.00 H ATOM 483 2HB SER A 28 1.321 20.330 -2.351 1.00 0.00 H ATOM 484 HG SER A 28 2.508 21.945 -3.089 1.00 0.00 H ATOM 485 N HIS A 29 1.750 18.948 -6.099 1.00 0.00 N ATOM 486 CA HIS A 29 2.136 18.826 -7.500 1.00 0.00 C ATOM 487 C HIS A 29 3.024 19.988 -7.929 1.00 0.00 C ATOM 488 O HIS A 29 3.650 19.944 -8.988 1.00 0.00 O ATOM 489 CB HIS A 29 0.897 18.764 -8.400 1.00 0.00 C ATOM 490 CG HIS A 29 0.038 19.987 -8.326 1.00 0.00 C ATOM 491 ND1 HIS A 29 -0.797 20.247 -7.258 1.00 0.00 N ATOM 492 CD2 HIS A 29 -0.118 21.021 -9.186 1.00 0.00 C ATOM 493 CE1 HIS A 29 -1.428 21.390 -7.466 1.00 0.00 C ATOM 494 NE2 HIS A 29 -1.034 21.878 -8.627 1.00 0.00 N ATOM 495 H HIS A 29 0.792 19.179 -5.871 1.00 0.00 H ATOM 496 HA HIS A 29 2.692 17.896 -7.626 1.00 0.00 H ATOM 497 1HB HIS A 29 1.206 18.626 -9.436 1.00 0.00 H ATOM 498 2HB HIS A 29 0.289 17.903 -8.122 1.00 0.00 H ATOM 499 HD2 HIS A 29 0.388 21.149 -10.143 1.00 0.00 H ATOM 500 HE1 HIS A 29 -2.150 21.850 -6.792 1.00 0.00 H ATOM 501 HE2 HIS A 29 -1.352 22.743 -9.043 1.00 0.00 H ATOM 502 N GLU A 30 3.075 21.025 -7.100 1.00 0.00 N ATOM 503 CA GLU A 30 3.850 22.219 -7.414 1.00 0.00 C ATOM 504 C GLU A 30 5.300 22.065 -6.975 1.00 0.00 C ATOM 505 O GLU A 30 6.169 22.835 -7.388 1.00 0.00 O ATOM 506 CB GLU A 30 3.232 23.448 -6.743 1.00 0.00 C ATOM 507 CG GLU A 30 1.887 23.868 -7.319 1.00 0.00 C ATOM 508 CD GLU A 30 1.332 25.104 -6.668 1.00 0.00 C ATOM 509 OE1 GLU A 30 1.914 25.562 -5.714 1.00 0.00 O ATOM 510 OE2 GLU A 30 0.325 25.591 -7.125 1.00 0.00 O ATOM 511 H GLU A 30 2.564 20.984 -6.229 1.00 0.00 H ATOM 512 HA GLU A 30 3.827 22.372 -8.494 1.00 0.00 H ATOM 513 1HB GLU A 30 3.094 23.252 -5.680 1.00 0.00 H ATOM 514 2HB GLU A 30 3.913 24.293 -6.835 1.00 0.00 H ATOM 515 1HG GLU A 30 2.002 24.054 -8.386 1.00 0.00 H ATOM 516 2HG GLU A 30 1.179 23.049 -7.195 1.00 0.00 H ATOM 517 N LEU A 31 5.558 21.067 -6.137 1.00 0.00 N ATOM 518 CA LEU A 31 6.808 20.995 -5.391 1.00 0.00 C ATOM 519 C LEU A 31 7.546 19.694 -5.678 1.00 0.00 C ATOM 520 O LEU A 31 7.294 18.672 -5.040 1.00 0.00 O ATOM 521 CB LEU A 31 6.536 21.114 -3.886 1.00 0.00 C ATOM 522 CG LEU A 31 5.850 22.410 -3.435 1.00 0.00 C ATOM 523 CD1 LEU A 31 5.499 22.311 -1.956 1.00 0.00 C ATOM 524 CD2 LEU A 31 6.771 23.591 -3.700 1.00 0.00 C ATOM 525 H LEU A 31 4.868 20.339 -6.012 1.00 0.00 H ATOM 526 HA LEU A 31 7.441 21.830 -5.694 1.00 0.00 H ATOM 527 1HB LEU A 31 5.904 20.281 -3.581 1.00 0.00 H ATOM 528 2HB LEU A 31 7.484 21.038 -3.354 1.00 0.00 H ATOM 529 HG LEU A 31 4.921 22.542 -3.990 1.00 0.00 H ATOM 530 1HD1 LEU A 31 5.012 23.232 -1.635 1.00 0.00 H ATOM 531 2HD1 LEU A 31 4.824 21.470 -1.798 1.00 0.00 H ATOM 532 3HD1 LEU A 31 6.409 22.161 -1.376 1.00 0.00 H ATOM 533 1HD2 LEU A 31 6.283 24.512 -3.380 1.00 0.00 H ATOM 534 2HD2 LEU A 31 7.700 23.461 -3.145 1.00 0.00 H ATOM 535 3HD2 LEU A 31 6.991 23.649 -4.767 1.00 0.00 H ATOM 536 N GLU A 32 8.461 19.738 -6.642 1.00 0.00 N ATOM 537 CA GLU A 32 9.137 18.535 -7.112 1.00 0.00 C ATOM 538 C GLU A 32 10.013 17.934 -6.019 1.00 0.00 C ATOM 539 O GLU A 32 10.149 16.716 -5.920 1.00 0.00 O ATOM 540 CB GLU A 32 9.986 18.848 -8.346 1.00 0.00 C ATOM 541 CG GLU A 32 9.182 19.191 -9.592 1.00 0.00 C ATOM 542 CD GLU A 32 10.048 19.533 -10.772 1.00 0.00 C ATOM 543 OE1 GLU A 32 11.240 19.628 -10.602 1.00 0.00 O ATOM 544 OE2 GLU A 32 9.518 19.699 -11.845 1.00 0.00 O ATOM 545 H GLU A 32 8.692 20.628 -7.059 1.00 0.00 H ATOM 546 HA GLU A 32 8.382 17.802 -7.396 1.00 0.00 H ATOM 547 1HB GLU A 32 10.645 19.690 -8.131 1.00 0.00 H ATOM 548 2HB GLU A 32 10.617 17.991 -8.580 1.00 0.00 H ATOM 549 1HG GLU A 32 8.553 18.339 -9.852 1.00 0.00 H ATOM 550 2HG GLU A 32 8.529 20.034 -9.369 1.00 0.00 H ATOM 551 N GLU A 33 10.607 18.798 -5.202 1.00 0.00 N ATOM 552 CA GLU A 33 11.543 18.361 -4.173 1.00 0.00 C ATOM 553 C GLU A 33 10.825 17.607 -3.061 1.00 0.00 C ATOM 554 O GLU A 33 11.316 16.591 -2.570 1.00 0.00 O ATOM 555 CB GLU A 33 12.291 19.561 -3.588 1.00 0.00 C ATOM 556 CG GLU A 33 13.318 20.180 -4.527 1.00 0.00 C ATOM 557 CD GLU A 33 13.982 21.397 -3.946 1.00 0.00 C ATOM 558 OE1 GLU A 33 13.546 21.855 -2.918 1.00 0.00 O ATOM 559 OE2 GLU A 33 14.927 21.870 -4.533 1.00 0.00 O ATOM 560 H GLU A 33 10.404 19.783 -5.296 1.00 0.00 H ATOM 561 HA GLU A 33 12.274 17.694 -4.632 1.00 0.00 H ATOM 562 1HB GLU A 33 11.577 20.338 -3.315 1.00 0.00 H ATOM 563 2HB GLU A 33 12.810 19.258 -2.678 1.00 0.00 H ATOM 564 1HG GLU A 33 14.082 19.436 -4.754 1.00 0.00 H ATOM 565 2HG GLU A 33 12.825 20.450 -5.459 1.00 0.00 H ATOM 566 N ALA A 34 9.660 18.112 -2.667 1.00 0.00 N ATOM 567 CA ALA A 34 8.849 17.460 -1.646 1.00 0.00 C ATOM 568 C ALA A 34 8.269 16.149 -2.158 1.00 0.00 C ATOM 569 O ALA A 34 8.167 15.172 -1.416 1.00 0.00 O ATOM 570 CB ALA A 34 7.735 18.387 -1.183 1.00 0.00 C ATOM 571 H ALA A 34 9.330 18.970 -3.085 1.00 0.00 H ATOM 572 HA ALA A 34 9.483 17.249 -0.783 1.00 0.00 H ATOM 573 1HB ALA A 34 7.138 17.886 -0.420 1.00 0.00 H ATOM 574 2HB ALA A 34 8.167 19.296 -0.765 1.00 0.00 H ATOM 575 3HB ALA A 34 7.100 18.643 -2.029 1.00 0.00 H ATOM 576 N ALA A 35 7.889 16.133 -3.431 1.00 0.00 N ATOM 577 CA ALA A 35 7.390 14.919 -4.067 1.00 0.00 C ATOM 578 C ALA A 35 8.459 13.835 -4.101 1.00 0.00 C ATOM 579 O ALA A 35 8.166 12.654 -3.922 1.00 0.00 O ATOM 580 CB ALA A 35 6.899 15.222 -5.475 1.00 0.00 C ATOM 581 H ALA A 35 7.946 16.984 -3.972 1.00 0.00 H ATOM 582 HA ALA A 35 6.539 14.552 -3.492 1.00 0.00 H ATOM 583 1HB ALA A 35 6.529 14.307 -5.936 1.00 0.00 H ATOM 584 2HB ALA A 35 6.094 15.956 -5.429 1.00 0.00 H ATOM 585 3HB ALA A 35 7.720 15.622 -6.068 1.00 0.00 H ATOM 586 N HIS A 36 9.703 14.246 -4.335 1.00 0.00 N ATOM 587 CA HIS A 36 10.820 13.310 -4.389 1.00 0.00 C ATOM 588 C HIS A 36 11.029 12.624 -3.046 1.00 0.00 C ATOM 589 O HIS A 36 11.181 11.404 -2.979 1.00 0.00 O ATOM 590 CB HIS A 36 12.107 14.028 -4.807 1.00 0.00 C ATOM 591 CG HIS A 36 13.292 13.121 -4.919 1.00 0.00 C ATOM 592 ND1 HIS A 36 13.438 12.210 -5.944 1.00 0.00 N ATOM 593 CD2 HIS A 36 14.387 12.983 -4.134 1.00 0.00 C ATOM 594 CE1 HIS A 36 14.573 11.551 -5.785 1.00 0.00 C ATOM 595 NE2 HIS A 36 15.166 12.001 -4.695 1.00 0.00 N ATOM 596 H HIS A 36 9.877 15.230 -4.477 1.00 0.00 H ATOM 597 HA HIS A 36 10.599 12.551 -5.140 1.00 0.00 H ATOM 598 1HB HIS A 36 11.956 14.513 -5.772 1.00 0.00 H ATOM 599 2HB HIS A 36 12.341 14.807 -4.083 1.00 0.00 H ATOM 600 HD1 HIS A 36 12.835 12.110 -6.736 1.00 0.00 H ATOM 601 HD2 HIS A 36 14.710 13.480 -3.219 1.00 0.00 H ATOM 602 HE1 HIS A 36 14.873 10.783 -6.497 1.00 0.00 H ATOM 603 N TRP A 37 11.035 13.413 -1.977 1.00 0.00 N ATOM 604 CA TRP A 37 11.270 12.888 -0.638 1.00 0.00 C ATOM 605 C TRP A 37 10.276 11.785 -0.297 1.00 0.00 C ATOM 606 O TRP A 37 10.657 10.730 0.212 1.00 0.00 O ATOM 607 CB TRP A 37 11.169 14.008 0.400 1.00 0.00 C ATOM 608 CG TRP A 37 11.325 13.531 1.812 1.00 0.00 C ATOM 609 CD1 TRP A 37 12.487 13.438 2.518 1.00 0.00 C ATOM 610 CD2 TRP A 37 10.277 13.079 2.703 1.00 0.00 C ATOM 611 NE1 TRP A 37 12.237 12.959 3.780 1.00 0.00 N ATOM 612 CE2 TRP A 37 10.889 12.736 3.912 1.00 0.00 C ATOM 613 CE3 TRP A 37 8.889 12.940 2.575 1.00 0.00 C ATOM 614 CZ2 TRP A 37 10.164 12.258 4.992 1.00 0.00 C ATOM 615 CZ3 TRP A 37 8.162 12.462 3.658 1.00 0.00 C ATOM 616 CH2 TRP A 37 8.784 12.131 4.836 1.00 0.00 C ATOM 617 H TRP A 37 10.872 14.404 -2.096 1.00 0.00 H ATOM 618 HA TRP A 37 12.279 12.475 -0.600 1.00 0.00 H ATOM 619 1HB TRP A 37 11.938 14.756 0.204 1.00 0.00 H ATOM 620 2HB TRP A 37 10.202 14.502 0.309 1.00 0.00 H ATOM 621 HD1 TRP A 37 13.471 13.704 2.135 1.00 0.00 H ATOM 622 HE1 TRP A 37 12.930 12.797 4.496 1.00 0.00 H ATOM 623 HE3 TRP A 37 8.390 13.204 1.643 1.00 0.00 H ATOM 624 HZ2 TRP A 37 10.640 11.989 5.935 1.00 0.00 H ATOM 625 HZ3 TRP A 37 7.082 12.357 3.550 1.00 0.00 H ATOM 626 HH2 TRP A 37 8.183 11.759 5.666 1.00 0.00 H ATOM 627 N LEU A 38 9.003 12.034 -0.580 1.00 0.00 N ATOM 628 CA LEU A 38 7.942 11.100 -0.222 1.00 0.00 C ATOM 629 C LEU A 38 8.101 9.775 -0.956 1.00 0.00 C ATOM 630 O LEU A 38 7.936 8.706 -0.370 1.00 0.00 O ATOM 631 CB LEU A 38 6.571 11.708 -0.544 1.00 0.00 C ATOM 632 CG LEU A 38 5.358 10.840 -0.188 1.00 0.00 C ATOM 633 CD1 LEU A 38 5.302 10.638 1.320 1.00 0.00 C ATOM 634 CD2 LEU A 38 4.089 11.506 -0.698 1.00 0.00 C ATOM 635 H LEU A 38 8.763 12.891 -1.057 1.00 0.00 H ATOM 636 HA LEU A 38 7.993 10.913 0.851 1.00 0.00 H ATOM 637 1HB LEU A 38 6.474 12.650 -0.005 1.00 0.00 H ATOM 638 2HB LEU A 38 6.526 11.919 -1.612 1.00 0.00 H ATOM 639 HG LEU A 38 5.465 9.858 -0.651 1.00 0.00 H ATOM 640 1HD1 LEU A 38 4.440 10.021 1.573 1.00 0.00 H ATOM 641 2HD1 LEU A 38 6.213 10.143 1.656 1.00 0.00 H ATOM 642 3HD1 LEU A 38 5.211 11.606 1.813 1.00 0.00 H ATOM 643 1HD2 LEU A 38 3.227 10.887 -0.446 1.00 0.00 H ATOM 644 2HD2 LEU A 38 3.981 12.486 -0.234 1.00 0.00 H ATOM 645 3HD2 LEU A 38 4.149 11.621 -1.781 1.00 0.00 H ATOM 646 N HIS A 39 8.424 9.853 -2.244 1.00 0.00 N ATOM 647 CA HIS A 39 8.699 8.663 -3.038 1.00 0.00 C ATOM 648 C HIS A 39 9.941 7.939 -2.535 1.00 0.00 C ATOM 649 O HIS A 39 9.941 6.719 -2.380 1.00 0.00 O ATOM 650 CB HIS A 39 8.876 9.028 -4.516 1.00 0.00 C ATOM 651 CG HIS A 39 9.120 7.846 -5.402 1.00 0.00 C ATOM 652 ND1 HIS A 39 8.140 6.922 -5.695 1.00 0.00 N ATOM 653 CD2 HIS A 39 10.231 7.438 -6.059 1.00 0.00 C ATOM 654 CE1 HIS A 39 8.639 5.995 -6.496 1.00 0.00 C ATOM 655 NE2 HIS A 39 9.905 6.286 -6.730 1.00 0.00 N ATOM 656 H HIS A 39 8.480 10.762 -2.682 1.00 0.00 H ATOM 657 HA HIS A 39 7.845 7.988 -2.957 1.00 0.00 H ATOM 658 1HB HIS A 39 7.985 9.544 -4.873 1.00 0.00 H ATOM 659 2HB HIS A 39 9.716 9.714 -4.622 1.00 0.00 H ATOM 660 HD2 HIS A 39 11.204 7.931 -6.055 1.00 0.00 H ATOM 661 HE1 HIS A 39 8.097 5.138 -6.894 1.00 0.00 H ATOM 662 HE2 HIS A 39 10.537 5.751 -7.309 1.00 0.00 H ATOM 663 N ARG A 40 11.001 8.700 -2.283 1.00 0.00 N ATOM 664 CA ARG A 40 12.287 8.124 -1.912 1.00 0.00 C ATOM 665 C ARG A 40 12.181 7.326 -0.618 1.00 0.00 C ATOM 666 O ARG A 40 12.821 6.286 -0.464 1.00 0.00 O ATOM 667 CB ARG A 40 13.334 9.215 -1.747 1.00 0.00 C ATOM 668 CG ARG A 40 14.711 8.723 -1.328 1.00 0.00 C ATOM 669 CD ARG A 40 15.338 7.885 -2.382 1.00 0.00 C ATOM 670 NE ARG A 40 16.635 7.373 -1.968 1.00 0.00 N ATOM 671 CZ ARG A 40 16.819 6.254 -1.241 1.00 0.00 C ATOM 672 NH1 ARG A 40 15.782 5.542 -0.857 1.00 0.00 N ATOM 673 NH2 ARG A 40 18.041 5.871 -0.915 1.00 0.00 N ATOM 674 H ARG A 40 10.913 9.704 -2.350 1.00 0.00 H ATOM 675 HA ARG A 40 12.610 7.454 -2.710 1.00 0.00 H ATOM 676 1HB ARG A 40 13.449 9.754 -2.686 1.00 0.00 H ATOM 677 2HB ARG A 40 12.999 9.932 -0.997 1.00 0.00 H ATOM 678 1HG ARG A 40 15.361 9.577 -1.138 1.00 0.00 H ATOM 679 2HG ARG A 40 14.623 8.124 -0.421 1.00 0.00 H ATOM 680 1HD ARG A 40 14.692 7.036 -2.604 1.00 0.00 H ATOM 681 2HD ARG A 40 15.479 8.479 -3.284 1.00 0.00 H ATOM 682 HE ARG A 40 17.456 7.894 -2.245 1.00 0.00 H ATOM 683 1HH1 ARG A 40 14.848 5.834 -1.107 1.00 0.00 H ATOM 684 2HH1 ARG A 40 15.920 4.703 -0.312 1.00 0.00 H ATOM 685 1HH2 ARG A 40 18.838 6.419 -1.210 1.00 0.00 H ATOM 686 2HH2 ARG A 40 18.179 5.033 -0.370 1.00 0.00 H ATOM 687 N ARG A 41 11.368 7.820 0.310 1.00 0.00 N ATOM 688 CA ARG A 41 11.125 7.120 1.566 1.00 0.00 C ATOM 689 C ARG A 41 10.277 5.874 1.346 1.00 0.00 C ATOM 690 O ARG A 41 10.500 4.841 1.978 1.00 0.00 O ATOM 691 CB ARG A 41 10.427 8.035 2.562 1.00 0.00 C ATOM 692 CG ARG A 41 11.264 9.209 3.047 1.00 0.00 C ATOM 693 CD ARG A 41 12.485 8.755 3.760 1.00 0.00 C ATOM 694 NE ARG A 41 12.165 8.069 5.002 1.00 0.00 N ATOM 695 CZ ARG A 41 13.027 7.302 5.696 1.00 0.00 C ATOM 696 NH1 ARG A 41 14.255 7.133 5.259 1.00 0.00 N ATOM 697 NH2 ARG A 41 12.638 6.719 6.817 1.00 0.00 N ATOM 698 H ARG A 41 10.908 8.703 0.142 1.00 0.00 H ATOM 699 HA ARG A 41 12.085 6.821 1.987 1.00 0.00 H ATOM 700 1HB ARG A 41 9.522 8.439 2.112 1.00 0.00 H ATOM 701 2HB ARG A 41 10.129 7.459 3.438 1.00 0.00 H ATOM 702 1HG ARG A 41 11.570 9.814 2.194 1.00 0.00 H ATOM 703 2HG ARG A 41 10.673 9.818 3.732 1.00 0.00 H ATOM 704 1HD ARG A 41 13.043 8.068 3.125 1.00 0.00 H ATOM 705 2HD ARG A 41 13.108 9.616 3.998 1.00 0.00 H ATOM 706 HE ARG A 41 11.229 8.176 5.370 1.00 0.00 H ATOM 707 1HH1 ARG A 41 14.552 7.578 4.403 1.00 0.00 H ATOM 708 2HH1 ARG A 41 14.902 6.557 5.780 1.00 0.00 H ATOM 709 1HH2 ARG A 41 11.694 6.849 7.153 1.00 0.00 H ATOM 710 2HH2 ARG A 41 13.284 6.144 7.338 1.00 0.00 H ATOM 711 N ALA A 42 9.304 5.976 0.448 1.00 0.00 N ATOM 712 CA ALA A 42 8.371 4.884 0.200 1.00 0.00 C ATOM 713 C ALA A 42 9.067 3.706 -0.470 1.00 0.00 C ATOM 714 O ALA A 42 8.788 2.549 -0.158 1.00 0.00 O ATOM 715 CB ALA A 42 7.207 5.365 -0.653 1.00 0.00 C ATOM 716 H ALA A 42 9.210 6.834 -0.078 1.00 0.00 H ATOM 717 HA ALA A 42 7.966 4.552 1.156 1.00 0.00 H ATOM 718 1HB ALA A 42 6.519 4.538 -0.830 1.00 0.00 H ATOM 719 2HB ALA A 42 6.683 6.169 -0.135 1.00 0.00 H ATOM 720 3HB ALA A 42 7.583 5.733 -1.607 1.00 0.00 H ATOM 721 N ARG A 43 9.975 4.008 -1.393 1.00 0.00 N ATOM 722 CA ARG A 43 10.566 2.988 -2.250 1.00 0.00 C ATOM 723 C ARG A 43 11.793 2.363 -1.598 1.00 0.00 C ATOM 724 O ARG A 43 12.496 3.014 -0.825 1.00 0.00 O ATOM 725 OXT ARG A 43 12.084 1.224 -1.836 1.00 0.00 O ATOM 726 CB ARG A 43 10.956 3.580 -3.596 1.00 0.00 C ATOM 727 CG ARG A 43 11.567 2.591 -4.576 1.00 0.00 C ATOM 728 CD ARG A 43 10.567 1.600 -5.051 1.00 0.00 C ATOM 729 NE ARG A 43 11.053 0.844 -6.194 1.00 0.00 N ATOM 730 CZ ARG A 43 11.764 -0.297 -6.111 1.00 0.00 C ATOM 731 NH1 ARG A 43 12.063 -0.801 -4.934 1.00 0.00 N ATOM 732 NH2 ARG A 43 12.160 -0.911 -7.212 1.00 0.00 N ATOM 733 H ARG A 43 10.263 4.970 -1.502 1.00 0.00 H ATOM 734 HA ARG A 43 9.824 2.206 -2.419 1.00 0.00 H ATOM 735 1HB ARG A 43 10.078 4.015 -4.070 1.00 0.00 H ATOM 736 2HB ARG A 43 11.678 4.382 -3.445 1.00 0.00 H ATOM 737 1HG ARG A 43 11.954 3.128 -5.442 1.00 0.00 H ATOM 738 2HG ARG A 43 12.381 2.051 -4.090 1.00 0.00 H ATOM 739 1HD ARG A 43 10.342 0.897 -4.249 1.00 0.00 H ATOM 740 2HD ARG A 43 9.655 2.116 -5.346 1.00 0.00 H ATOM 741 HE ARG A 43 10.842 1.200 -7.117 1.00 0.00 H ATOM 742 1HH1 ARG A 43 11.760 -0.332 -4.092 1.00 0.00 H ATOM 743 2HH1 ARG A 43 12.596 -1.656 -4.871 1.00 0.00 H ATOM 744 1HH2 ARG A 43 11.930 -0.524 -8.117 1.00 0.00 H ATOM 745 2HH2 ARG A 43 12.693 -1.766 -7.150 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE start12_0085_0002.pdb label fa_atr fa_rep fa_sol fa_intra_atr_xover4 fa_intra_rep_xover4 fa_intra_sol_xover4 lk_ball lk_ball_iso lk_ball_bridge lk_ball_bridge_uncpl fa_elec fa_intra_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun_dev fa_dun_rot fa_dun_semi p_aa_pp hxl_tors ref rama_prepro gen_bonded total weights 1 0.55 1 1 0.55 1 0.92 -0.38 -0.33 -0.33 1 1 1.25 1 1 1 1 1.25 0.48 0.69 0.76 0.78 0.61 1 1 0.5 1 NA pose -188.623 22.4383 138.028 -24.3778 13.0593 17.9644 70.4168 -79.773 -0.28884 -2.25131 -45.7992 -14.8388 0 -19.6489 -7.93472 0 0 0 3.94099 72.3209 29.2139 38.5724 -9.74646 6.30994 -14.5032 0.57476 0 5.05398 SER:NtermProteinFull_1 -2.07936 0.09022 2.60553 -0.02957 0 0.02113 1.19457 -1.10922 -0.01553 -0.09043 -0.81191 -1.19322 0 0 0 0 0 0 -0.00455 0 0.49232 0 0 0.6 -0.77834 0 0 -1.10835 ARG_2 -3.4509 0.32739 2.77479 -0.81534 0.19301 0.54433 1.67701 -1.56295 -0.01433 -0.15854 -1.43665 0.45812 0 0 0 0 0 0 0.13839 0 1.4514 0 -0.09011 0 -1.2888 0.07589 0 -1.17729 GLU_3 -4.36477 0.33796 4.22604 -0.33006 0.0673 0.38541 1.3633 -2.01346 -0.01177 -0.12868 -1.04815 -0.57922 0 0 0 0 0 0 -0.01007 0 0 3.17921 -0.08711 0 -2.7348 0.09546 0 -1.65343 GLU_4 -3.73545 0.12768 4.53168 -0.21529 0.03102 0.30396 1.75962 -2.04068 -0.01553 -0.09043 -0.92086 -0.59529 0 0 0 0 0 0 0.34224 0 0 3.07639 -0.29204 0 -2.7348 -0.18772 0 -0.6555 HIS_D_5 -4.95186 0.64483 4.71079 -0.70313 0.01223 0.73911 2.70711 -2.56528 -0 -0 -1.88048 -0.29904 0 0 0 0 0 0 -0.0065 0 0 1.54545 -0.22313 0 -0.45461 0.20366 0 -0.52084 ALA_6 -5.79854 0.5828 3.06779 -0.02185 0 0 2.48206 -2.52258 -0 -0 -1.32613 -0.36195 0 0 0 0 0 0 -0.04734 0 0 0 -0.306 0 1.8394 0.36326 0 -2.0491 ARG_7 -4.80322 0.25219 4.93418 -1.21069 0.5883 0.79096 2.16921 -2.34403 -0 -0 -1.98607 0.467 0 0 0 0 0 0 0.00658 0.26838 2.52288 0 -0.16491 0 -1.2888 -0.20524 0 -0.0033 HIS_D_8 -5.8205 0.62151 5.98554 -0.69177 0.01271 0.70847 3.21021 -2.87603 -0.00123 -0.00603 -3.16934 -0.29403 0 0 0 0 0 0 0.41619 0.02853 0 1.54421 -0.31197 0 -0.45461 0.32178 0 -0.77635 VAL_9 -8.00332 2.04504 3.12319 -0.35189 1.83673 0.07575 2.3004 -2.65068 -0 -0 -1.6282 0.27068 0 0 0 0 0 0 -0.0671 47.7251 0.9027 0 0.49933 0 1.9342 0.55015 0 48.5621 ILE_10 -5.77686 0.75638 3.25651 -0.50373 0.50627 0.09842 2.0817 -2.19987 -0 -0 -0.28268 0.06768 0 0 0 0 0 0 0.1261 0.27812 0.62832 0 -0.49659 0 0.73287 0.2498 0 -0.47758 ARG_11 -2.27715 0.12207 2.73917 -1.61592 0.64294 1.58338 0.97987 -1.30114 -0 -0 -0.21613 -1.18717 0 0 0 0 0 0 -0.02793 0 3.44775 0 -0.13897 0 -1.2888 0.08876 0 1.55074 ARG_12 -4.80302 0.58427 3.89308 -1.63875 0.75082 1.6817 1.22078 -1.78716 -0 -0 -1.10251 -1.4321 0 0 0 0 0 0 0.23824 0 3.63257 0 -0.15437 0 -1.2888 -0.27783 0 -0.4831 GLY_13 -2.64267 0.12037 2.73235 -5e-05 0 0 1.05529 -1.39324 -0.00123 -0.00603 -0.17693 -0.38466 0 0 0 0 0 0 -0.06355 0 0 0 -1.38803 0 0.83697 0.01515 0 -1.29625 LEU_14 -5.49362 0.71066 3.13275 -0.48263 0.58241 0.08119 1.33331 -1.73776 -0.0001 -0.00025 -0.211 0.38147 0 0 0 0 0 0 -0.00189 0 0.33776 0 -0.23506 0 0.18072 0.03957 0 -1.38246 GLU_15 -1.54898 0.11692 1.24664 -0.34506 0.07947 0.49347 0.19729 -0.61478 -0 -0 -0.06531 -0.42505 0 0 0 0 0 0 -0.04264 0 0 3.1004 0.2654 0 -2.7348 -0.02326 0 -0.30027 ILE_16 -4.8273 1.42721 2.31326 -0.47749 0.65667 0.09609 1.85747 -1.58169 -0.00267 -0.01023 -1.58988 0.08667 0 0 0 0 0 0 -0.05749 0 0.39824 0 -0.72545 0 0.73287 -0.05972 0 -1.76344 GLU_17 -3.26798 0.47582 1.45003 -0.29386 0.06604 0.33856 0.30544 -0.98345 -0.01084 -0.12389 -0.50576 -0.30217 0 0 0 0 0 0 -0.00605 0 0 3.4236 0.31202 0 -2.7348 -0.19089 0 -2.04818 VAL_18 -5.06979 1.24204 2.00413 -0.36334 0.72085 0.08387 2.04996 -1.78298 -0.00404 -0.01508 -1.81371 -0.16804 0 0 0 0 0 0 0.18457 23.4644 0.99132 0 -0.36574 0 1.9342 -0.19356 0 22.899 THR_19 -2.33941 0.91681 1.00077 -0.17843 0.12425 0.06517 0.43524 -0.85785 -0.00293 -0.07794 -0.05303 -0.36548 0 0 0 0 0 0 0.01605 0 0.11297 0 -0.06496 2.44587 -1.0874 -0.20471 0 -0.11502 PHE_20 -6.21795 0.62491 3.67662 -0.79493 0.04203 0.15614 1.99168 -2.32226 -0.00146 -0.0051 -1.14551 -0.57181 0 0 0 0 0 0 -0.05954 0 0 2.22237 -0.30071 0 1.0402 0.55915 0 -1.10618 ASN_21 -3.57835 1.44145 2.58713 -0.18652 0.03595 0.34496 0.65016 -1.45722 -0 -0 0.06345 -0.93356 0 0 0 0 0 0 0.11826 0 0 3.05786 -1.02228 0 -0.93687 0.28208 0 0.46651 TRP_22 -2.22706 0.85764 1.79792 -0.89517 0.02824 0.43141 0.14027 -0.99331 -0 -0.00012 -0.33908 -0.54021 0 0 0 0 0 0 -0.00067 0 0 1.62889 0.4468 0 1.6906 0.37928 0 2.40543 ARG_23 -3.9529 0.65755 4.93971 -1.14058 0.50525 0.62358 2.43136 -2.224 -0.02375 -0.1757 -1.91911 0.41499 0 0 0 0 0 0 0.00476 0.10712 2.24075 0 -0.02989 0 -1.2888 0.57189 0 1.74223 THR_24 -2.5652 0.14768 1.40321 -0.17773 0.12545 0.0637 0.26523 -0.91968 -0.03457 -0.37112 -0.10619 -0.29429 0 0 0 0 0 0 0.02764 0 0.11642 0 -0.03689 2.44587 -1.0874 -0.09903 0 -1.09691 ILE_25 -6.53119 0.53243 1.65397 -0.48268 0.65202 0.09969 2.19304 -1.96406 -0.00953 -0.03016 -1.93192 0.08669 0 0 0 0 0 0 0.20872 0.01711 0.41065 0 -0.78506 0 0.73287 -0.28442 0 -5.43184 ILE_26 -4.54523 0.5598 1.07899 -0.65683 1.10149 0.12911 0.72647 -1.41777 -0.01031 -0.06356 -0.78448 0.34132 0 0 0 0 0 0 -0.04692 0 1.03117 0 -0.74994 0 0.73287 -0.54236 0 -3.11617 VAL_27 -5.84447 0.50803 1.33886 -0.27987 0.19938 0.05954 1.93515 -1.77583 -0.0042 -0.01446 -1.20511 -0.10999 0 0 0 0 0 0 -0.01783 0 0.19025 0 -0.60768 0 1.9342 -0.52046 0 -4.21449 SER_28 -3.88921 0.33491 4.02168 -0.02557 0 0.06092 1.7983 -1.93095 -0.02684 -0.1911 -0.83479 -0.40569 0 0 0 0 0 0 0.24989 0 0.03443 0 -0.56176 0.81821 -0.77834 -0.37267 0 -1.69859 HIS_29 -3.08443 0.14042 2.88696 -0.73024 0.0102 0.81124 0.70014 -1.35237 -0.01587 -0.09336 -0.21668 -1.88692 0 0 0 0 0 0 -0.04946 0.08426 0 1.65199 -0.07667 0 -0.45461 -0.1468 0 -1.8222 GLU_30 -3.05859 0.34516 2.99387 -0.22469 0.02903 0.33716 0.62675 -1.33945 -0.02061 -0.10727 -0.442 -0.601 0 0 0 0 0 0 1.18693 0.10322 0 2.91955 -0.12655 0 -2.7348 -0.26228 0 -0.37556 LEU_31 -5.07674 0.24151 4.14817 -0.50923 0.46578 0.13696 2.65603 -2.30042 -0.0189 -0.13672 -1.07276 -0.01765 0 0 0 0 0 0 0.00817 0 1.09333 0 0.03253 0 0.18072 0.3083 0 0.13909 GLU_32 -2.4484 0.07169 2.73441 -0.21772 0.03051 0.30734 1.24372 -1.41553 -0.00474 -0.01392 -0.82834 -0.60134 0 0 0 0 0 0 -0.0239 0.00111 0 3.02998 -0.35267 0 -2.7348 0.2912 0 -0.93138 GLU_33 -2.61998 0.17647 3.02492 -0.21257 0.02821 0.29709 1.27925 -1.49129 -0 -0 -0.40536 -0.58131 0 0 0 0 0 0 0.13175 0.0566 0 3.09404 -0.22377 0 -2.7348 -0.39226 0 -0.57301 ALA_34 -4.69618 0.37838 2.65553 -0.02234 0 0 1.87806 -2.10525 -0 -0 -0.6281 -0.3593 0 0 0 0 0 0 0.25331 0 0 0 -0.07027 0 1.8394 -0.2576 0 -1.13437 ALA_35 -4.73323 0.25601 3.30994 -0.02228 0 0 2.31641 -2.30037 -0 -0 -1.92534 -0.36341 0 0 0 0 0 0 -0.01401 0 0 0 -0.26107 0 1.8394 -0.27946 0 -2.17741 HIS_D_36 -4.521 0.25833 5.38694 -0.70461 0.01261 0.74648 2.78758 -2.5405 -0 -0 -2.80487 -0.28798 0 0 0 0 0 0 -0.02188 0.00015 0 1.6356 -0.1223 0 -0.45461 0.06447 0 -0.56558 TRP_37 -8.97316 1.30035 4.041 -1.3636 0.17719 0.54368 2.67256 -2.82202 -0 -0 -2.18823 -0.2589 0 0 0 0 0 0 0.02178 0.02823 0 1.76176 -0.2651 0 1.6906 0.37311 0 -3.26075 LEU_38 -6.96282 0.7592 2.83156 -0.7032 0.47565 0.26304 2.0816 -2.4117 -0 -0 -1.36157 0.15149 0 0 0 0 0 0 0.289 0.12675 0.94444 0 -0.24939 0 0.18072 0.22249 0 -3.36276 HIS_39 -5.99961 0.309 5.76942 -0.70629 0.01239 0.75461 2.93234 -2.95179 -0.01177 -0.12868 -1.96197 -0.21898 0 0 0 0 0 0 0.06343 0 0 1.70112 -0.085 0 -0.45461 0.246 0 -0.73039 ARG_40 -4.13897 0.12668 4.94015 -1.60776 0.63064 1.56206 1.93204 -2.2478 -0.00588 -0.02701 -1.11561 -1.14545 0 0 0 0 0 0 0.15745 0 3.30331 0 -0.1591 0 -1.2888 0.10503 0 1.02099 ARG_41 -4.60683 0.40468 4.38697 -1.12002 1.16056 0.67405 1.55024 -1.99096 -0.01433 -0.15854 -0.8071 0.48891 0 0 0 0 0 0 -0.03583 0 2.47225 0 -0.11225 0 -1.2888 -0.14258 0 0.86043 ALA_42 -4.36455 0.44543 2.55333 -0.02202 0 0 1.91694 -1.92685 -0 -0 -0.94227 -0.35357 0 0 0 0 0 0 0.35669 0 0 0 -0.05978 0 1.8394 -0.13178 0 -0.68904 ARG:CtermProteinFull_43 -2.93266 0.05846 4.13852 -1.30251 0.4657 1.47062 1.33165 -1.64681 -0.00588 -0.02701 -0.6715 -0.93499 0 0 0 0 0 0 0 0.03181 2.45862 0 0 0 -1.2888 -0.05713 0 1.08809 #END_POSE_ENERGIES_TABLE start12_0085_0002.pdb score_per_res -1.55272 total_score -66.7671
HEEH_KT_rd6_7045.pdb
ATOM 1 N SER A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA SER A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C SER A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O SER A 1 1.281 2.379 -0.260 1.00 0.00 O ATOM 5 CB SER A 1 1.980 -0.754 -1.207 1.00 0.00 C ATOM 6 OG SER A 1 1.541 -0.161 -2.398 1.00 0.00 O ATOM 7 1H SER A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 8 2H SER A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 9 3H SER A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 10 HA SER A 1 1.804 -0.509 0.900 1.00 0.00 H ATOM 11 1HB SER A 1 3.069 -0.768 -1.185 1.00 0.00 H ATOM 12 2HB SER A 1 1.639 -1.788 -1.165 1.00 0.00 H ATOM 13 HG SER A 1 2.105 -0.512 -3.092 1.00 0.00 H ATOM 14 N VAL A 2 3.298 1.550 0.293 1.00 0.00 N ATOM 15 CA VAL A 2 3.926 2.859 0.428 1.00 0.00 C ATOM 16 C VAL A 2 4.121 3.518 -0.931 1.00 0.00 C ATOM 17 O VAL A 2 4.469 4.695 -1.016 1.00 0.00 O ATOM 18 CB VAL A 2 5.290 2.727 1.132 1.00 0.00 C ATOM 19 CG1 VAL A 2 5.570 1.274 1.484 1.00 0.00 C ATOM 20 CG2 VAL A 2 6.388 3.288 0.242 1.00 0.00 C ATOM 21 H VAL A 2 3.858 0.719 0.427 1.00 0.00 H ATOM 22 HA VAL A 2 3.278 3.492 1.034 1.00 0.00 H ATOM 23 HB VAL A 2 5.260 3.284 2.069 1.00 0.00 H ATOM 24 1HG1 VAL A 2 6.538 1.200 1.981 1.00 0.00 H ATOM 25 2HG1 VAL A 2 4.791 0.904 2.150 1.00 0.00 H ATOM 26 3HG1 VAL A 2 5.584 0.675 0.573 1.00 0.00 H ATOM 27 1HG2 VAL A 2 7.349 3.193 0.746 1.00 0.00 H ATOM 28 2HG2 VAL A 2 6.414 2.735 -0.697 1.00 0.00 H ATOM 29 3HG2 VAL A 2 6.189 4.340 0.037 1.00 0.00 H ATOM 30 N GLU A 3 3.895 2.751 -1.993 1.00 0.00 N ATOM 31 CA GLU A 3 4.046 3.260 -3.351 1.00 0.00 C ATOM 32 C GLU A 3 2.988 4.309 -3.667 1.00 0.00 C ATOM 33 O GLU A 3 3.294 5.373 -4.204 1.00 0.00 O ATOM 34 CB GLU A 3 3.961 2.114 -4.362 1.00 0.00 C ATOM 35 CG GLU A 3 4.156 2.539 -5.811 1.00 0.00 C ATOM 36 CD GLU A 3 4.203 1.374 -6.761 1.00 0.00 C ATOM 37 OE1 GLU A 3 4.128 0.258 -6.306 1.00 0.00 O ATOM 38 OE2 GLU A 3 4.313 1.601 -7.942 1.00 0.00 O ATOM 39 H GLU A 3 3.612 1.792 -1.856 1.00 0.00 H ATOM 40 HA GLU A 3 5.032 3.720 -3.441 1.00 0.00 H ATOM 41 1HB GLU A 3 4.719 1.366 -4.129 1.00 0.00 H ATOM 42 2HB GLU A 3 2.988 1.631 -4.283 1.00 0.00 H ATOM 43 1HG GLU A 3 3.336 3.196 -6.100 1.00 0.00 H ATOM 44 2HG GLU A 3 5.083 3.105 -5.891 1.00 0.00 H ATOM 45 N GLU A 4 1.739 4.002 -3.331 1.00 0.00 N ATOM 46 CA GLU A 4 0.635 4.925 -3.561 1.00 0.00 C ATOM 47 C GLU A 4 0.686 6.098 -2.591 1.00 0.00 C ATOM 48 O GLU A 4 0.419 7.239 -2.968 1.00 0.00 O ATOM 49 CB GLU A 4 -0.705 4.197 -3.426 1.00 0.00 C ATOM 50 CG GLU A 4 -0.983 3.183 -4.526 1.00 0.00 C ATOM 51 CD GLU A 4 -2.283 2.453 -4.334 1.00 0.00 C ATOM 52 OE1 GLU A 4 -2.903 2.640 -3.315 1.00 0.00 O ATOM 53 OE2 GLU A 4 -2.656 1.706 -5.208 1.00 0.00 O ATOM 54 H GLU A 4 1.550 3.106 -2.905 1.00 0.00 H ATOM 55 HA GLU A 4 0.711 5.309 -4.580 1.00 0.00 H ATOM 56 1HB GLU A 4 -0.740 3.673 -2.471 1.00 0.00 H ATOM 57 2HB GLU A 4 -1.516 4.925 -3.430 1.00 0.00 H ATOM 58 1HG GLU A 4 -1.008 3.700 -5.485 1.00 0.00 H ATOM 59 2HG GLU A 4 -0.167 2.461 -4.555 1.00 0.00 H ATOM 60 N ILE A 5 1.031 5.811 -1.341 1.00 0.00 N ATOM 61 CA ILE A 5 1.130 6.845 -0.317 1.00 0.00 C ATOM 62 C ILE A 5 2.262 7.816 -0.622 1.00 0.00 C ATOM 63 O ILE A 5 2.121 9.025 -0.441 1.00 0.00 O ATOM 64 CB ILE A 5 1.349 6.221 1.073 1.00 0.00 C ATOM 65 CG1 ILE A 5 0.104 5.446 1.513 1.00 0.00 C ATOM 66 CG2 ILE A 5 1.697 7.298 2.090 1.00 0.00 C ATOM 67 CD1 ILE A 5 0.322 4.585 2.736 1.00 0.00 C ATOM 68 H ILE A 5 1.230 4.852 -1.093 1.00 0.00 H ATOM 69 HA ILE A 5 0.191 7.398 -0.292 1.00 0.00 H ATOM 70 HB ILE A 5 2.167 5.503 1.025 1.00 0.00 H ATOM 71 1HG1 ILE A 5 -0.703 6.146 1.727 1.00 0.00 H ATOM 72 2HG1 ILE A 5 -0.230 4.802 0.699 1.00 0.00 H ATOM 73 1HG2 ILE A 5 1.848 6.840 3.067 1.00 0.00 H ATOM 74 2HG2 ILE A 5 2.610 7.806 1.783 1.00 0.00 H ATOM 75 3HG2 ILE A 5 0.882 8.019 2.149 1.00 0.00 H ATOM 76 1HD1 ILE A 5 -0.605 4.068 2.986 1.00 0.00 H ATOM 77 2HD1 ILE A 5 1.103 3.853 2.532 1.00 0.00 H ATOM 78 3HD1 ILE A 5 0.623 5.213 3.574 1.00 0.00 H ATOM 79 N ALA A 6 3.385 7.281 -1.089 1.00 0.00 N ATOM 80 CA ALA A 6 4.544 8.101 -1.423 1.00 0.00 C ATOM 81 C ALA A 6 4.227 9.063 -2.562 1.00 0.00 C ATOM 82 O ALA A 6 4.702 10.198 -2.577 1.00 0.00 O ATOM 83 CB ALA A 6 5.729 7.219 -1.788 1.00 0.00 C ATOM 84 H ALA A 6 3.438 6.280 -1.214 1.00 0.00 H ATOM 85 HA ALA A 6 4.823 8.681 -0.543 1.00 0.00 H ATOM 86 1HB ALA A 6 6.586 7.846 -2.035 1.00 0.00 H ATOM 87 2HB ALA A 6 5.980 6.578 -0.943 1.00 0.00 H ATOM 88 3HB ALA A 6 5.472 6.602 -2.648 1.00 0.00 H ATOM 89 N ARG A 7 3.422 8.601 -3.513 1.00 0.00 N ATOM 90 CA ARG A 7 3.060 9.411 -4.670 1.00 0.00 C ATOM 91 C ARG A 7 2.119 10.543 -4.278 1.00 0.00 C ATOM 92 O ARG A 7 2.245 11.665 -4.766 1.00 0.00 O ATOM 93 CB ARG A 7 2.400 8.553 -5.738 1.00 0.00 C ATOM 94 CG ARG A 7 2.030 9.293 -7.014 1.00 0.00 C ATOM 95 CD ARG A 7 3.232 9.798 -7.724 1.00 0.00 C ATOM 96 NE ARG A 7 2.890 10.431 -8.988 1.00 0.00 N ATOM 97 CZ ARG A 7 3.759 11.104 -9.767 1.00 0.00 C ATOM 98 NH1 ARG A 7 5.016 11.221 -9.400 1.00 0.00 N ATOM 99 NH2 ARG A 7 3.349 11.645 -10.900 1.00 0.00 N ATOM 100 H ARG A 7 3.052 7.665 -3.433 1.00 0.00 H ATOM 101 HA ARG A 7 3.971 9.843 -5.088 1.00 0.00 H ATOM 102 1HB ARG A 7 3.066 7.737 -6.012 1.00 0.00 H ATOM 103 2HB ARG A 7 1.488 8.111 -5.337 1.00 0.00 H ATOM 104 1HG ARG A 7 1.494 8.619 -7.683 1.00 0.00 H ATOM 105 2HG ARG A 7 1.393 10.144 -6.770 1.00 0.00 H ATOM 106 1HD ARG A 7 3.741 10.533 -7.101 1.00 0.00 H ATOM 107 2HD ARG A 7 3.908 8.969 -7.931 1.00 0.00 H ATOM 108 HE ARG A 7 1.931 10.362 -9.304 1.00 0.00 H ATOM 109 1HH1 ARG A 7 5.330 10.807 -8.533 1.00 0.00 H ATOM 110 2HH1 ARG A 7 5.668 11.725 -9.984 1.00 0.00 H ATOM 111 1HH2 ARG A 7 2.382 11.555 -11.183 1.00 0.00 H ATOM 112 2HH2 ARG A 7 4.000 12.149 -11.484 1.00 0.00 H ATOM 113 N GLU A 8 1.176 10.241 -3.392 1.00 0.00 N ATOM 114 CA GLU A 8 0.251 11.246 -2.885 1.00 0.00 C ATOM 115 C GLU A 8 0.976 12.290 -2.046 1.00 0.00 C ATOM 116 O GLU A 8 0.686 13.483 -2.135 1.00 0.00 O ATOM 117 CB GLU A 8 -0.851 10.585 -2.053 1.00 0.00 C ATOM 118 CG GLU A 8 -1.828 9.742 -2.860 1.00 0.00 C ATOM 119 CD GLU A 8 -2.854 9.055 -2.003 1.00 0.00 C ATOM 120 OE1 GLU A 8 -2.746 9.133 -0.802 1.00 0.00 O ATOM 121 OE2 GLU A 8 -3.747 8.451 -2.549 1.00 0.00 O ATOM 122 H GLU A 8 1.099 9.289 -3.060 1.00 0.00 H ATOM 123 HA GLU A 8 -0.219 11.744 -3.734 1.00 0.00 H ATOM 124 1HB GLU A 8 -0.400 9.942 -1.296 1.00 0.00 H ATOM 125 2HB GLU A 8 -1.423 11.352 -1.531 1.00 0.00 H ATOM 126 1HG GLU A 8 -2.340 10.384 -3.576 1.00 0.00 H ATOM 127 2HG GLU A 8 -1.269 8.993 -3.420 1.00 0.00 H ATOM 128 N LEU A 9 1.922 11.835 -1.232 1.00 0.00 N ATOM 129 CA LEU A 9 2.727 12.734 -0.414 1.00 0.00 C ATOM 130 C LEU A 9 3.625 13.610 -1.279 1.00 0.00 C ATOM 131 O LEU A 9 3.805 14.795 -1.001 1.00 0.00 O ATOM 132 CB LEU A 9 3.583 11.931 0.572 1.00 0.00 C ATOM 133 CG LEU A 9 2.836 11.343 1.776 1.00 0.00 C ATOM 134 CD1 LEU A 9 3.620 10.164 2.335 1.00 0.00 C ATOM 135 CD2 LEU A 9 2.645 12.422 2.832 1.00 0.00 C ATOM 136 H LEU A 9 2.088 10.840 -1.178 1.00 0.00 H ATOM 137 HA LEU A 9 2.056 13.377 0.156 1.00 0.00 H ATOM 138 1HB LEU A 9 4.048 11.105 0.036 1.00 0.00 H ATOM 139 2HB LEU A 9 4.372 12.578 0.956 1.00 0.00 H ATOM 140 HG LEU A 9 1.862 10.973 1.455 1.00 0.00 H ATOM 141 1HD1 LEU A 9 3.089 9.746 3.191 1.00 0.00 H ATOM 142 2HD1 LEU A 9 3.725 9.399 1.566 1.00 0.00 H ATOM 143 3HD1 LEU A 9 4.607 10.500 2.651 1.00 0.00 H ATOM 144 1HD2 LEU A 9 2.113 12.005 3.687 1.00 0.00 H ATOM 145 2HD2 LEU A 9 3.618 12.792 3.155 1.00 0.00 H ATOM 146 3HD2 LEU A 9 2.066 13.245 2.410 1.00 0.00 H ATOM 147 N TRP A 10 4.185 13.019 -2.328 1.00 0.00 N ATOM 148 CA TRP A 10 5.059 13.746 -3.241 1.00 0.00 C ATOM 149 C TRP A 10 4.322 14.901 -3.905 1.00 0.00 C ATOM 150 O TRP A 10 4.828 16.022 -3.964 1.00 0.00 O ATOM 151 CB TRP A 10 5.613 12.805 -4.312 1.00 0.00 C ATOM 152 CG TRP A 10 6.238 13.521 -5.472 1.00 0.00 C ATOM 153 CD1 TRP A 10 7.537 13.918 -5.580 1.00 0.00 C ATOM 154 CD2 TRP A 10 5.590 13.930 -6.701 1.00 0.00 C ATOM 155 NE1 TRP A 10 7.741 14.543 -6.785 1.00 0.00 N ATOM 156 CE2 TRP A 10 6.561 14.558 -7.484 1.00 0.00 C ATOM 157 CE3 TRP A 10 4.283 13.813 -7.191 1.00 0.00 C ATOM 158 CZ2 TRP A 10 6.271 15.075 -8.737 1.00 0.00 C ATOM 159 CZ3 TRP A 10 3.993 14.330 -8.448 1.00 0.00 C ATOM 160 CH2 TRP A 10 4.962 14.945 -9.200 1.00 0.00 C ATOM 161 H TRP A 10 4.003 12.041 -2.498 1.00 0.00 H ATOM 162 HA TRP A 10 5.898 14.149 -2.671 1.00 0.00 H ATOM 163 1HB TRP A 10 6.363 12.150 -3.869 1.00 0.00 H ATOM 164 2HB TRP A 10 4.810 12.174 -4.692 1.00 0.00 H ATOM 165 HD1 TRP A 10 8.301 13.761 -4.821 1.00 0.00 H ATOM 166 HE1 TRP A 10 8.617 14.931 -7.106 1.00 0.00 H ATOM 167 HE3 TRP A 10 3.510 13.324 -6.598 1.00 0.00 H ATOM 168 HZ2 TRP A 10 7.027 15.567 -9.350 1.00 0.00 H ATOM 169 HZ3 TRP A 10 2.973 14.237 -8.822 1.00 0.00 H ATOM 170 HH2 TRP A 10 4.699 15.339 -10.183 1.00 0.00 H ATOM 171 N ARG A 11 3.124 14.622 -4.406 1.00 0.00 N ATOM 172 CA ARG A 11 2.311 15.639 -5.064 1.00 0.00 C ATOM 173 C ARG A 11 1.957 16.766 -4.102 1.00 0.00 C ATOM 174 O ARG A 11 1.951 17.938 -4.480 1.00 0.00 O ATOM 175 CB ARG A 11 1.032 15.028 -5.617 1.00 0.00 C ATOM 176 CG ARG A 11 0.095 16.012 -6.299 1.00 0.00 C ATOM 177 CD ARG A 11 0.695 16.574 -7.536 1.00 0.00 C ATOM 178 NE ARG A 11 -0.178 17.551 -8.167 1.00 0.00 N ATOM 179 CZ ARG A 11 -0.227 18.857 -7.840 1.00 0.00 C ATOM 180 NH1 ARG A 11 0.552 19.326 -6.890 1.00 0.00 N ATOM 181 NH2 ARG A 11 -1.057 19.667 -8.474 1.00 0.00 N ATOM 182 H ARG A 11 2.766 13.680 -4.330 1.00 0.00 H ATOM 183 HA ARG A 11 2.883 16.054 -5.894 1.00 0.00 H ATOM 184 1HB ARG A 11 1.283 14.255 -6.342 1.00 0.00 H ATOM 185 2HB ARG A 11 0.478 14.551 -4.808 1.00 0.00 H ATOM 186 1HG ARG A 11 -0.832 15.506 -6.566 1.00 0.00 H ATOM 187 2HG ARG A 11 -0.124 16.837 -5.619 1.00 0.00 H ATOM 188 1HD ARG A 11 1.637 17.065 -7.293 1.00 0.00 H ATOM 189 2HD ARG A 11 0.878 15.770 -8.249 1.00 0.00 H ATOM 190 HE ARG A 11 -0.792 17.227 -8.902 1.00 0.00 H ATOM 191 1HH1 ARG A 11 1.186 18.708 -6.405 1.00 0.00 H ATOM 192 2HH1 ARG A 11 0.515 20.305 -6.645 1.00 0.00 H ATOM 193 1HH2 ARG A 11 -1.655 19.306 -9.204 1.00 0.00 H ATOM 194 2HH2 ARG A 11 -1.093 20.645 -8.229 1.00 0.00 H ATOM 195 N ARG A 12 1.661 16.405 -2.859 1.00 0.00 N ATOM 196 CA ARG A 12 1.370 17.390 -1.823 1.00 0.00 C ATOM 197 C ARG A 12 2.530 18.360 -1.645 1.00 0.00 C ATOM 198 O ARG A 12 2.325 19.555 -1.430 1.00 0.00 O ATOM 199 CB ARG A 12 1.080 16.702 -0.497 1.00 0.00 C ATOM 200 CG ARG A 12 0.807 17.644 0.665 1.00 0.00 C ATOM 201 CD ARG A 12 -0.449 18.412 0.466 1.00 0.00 C ATOM 202 NE ARG A 12 -0.690 19.347 1.553 1.00 0.00 N ATOM 203 CZ ARG A 12 -0.176 20.591 1.620 1.00 0.00 C ATOM 204 NH1 ARG A 12 0.604 21.033 0.658 1.00 0.00 N ATOM 205 NH2 ARG A 12 -0.456 21.367 2.653 1.00 0.00 N ATOM 206 H ARG A 12 1.637 15.423 -2.623 1.00 0.00 H ATOM 207 HA ARG A 12 0.485 17.954 -2.121 1.00 0.00 H ATOM 208 1HB ARG A 12 0.212 16.053 -0.607 1.00 0.00 H ATOM 209 2HB ARG A 12 1.926 16.073 -0.221 1.00 0.00 H ATOM 210 1HG ARG A 12 0.714 17.068 1.586 1.00 0.00 H ATOM 211 2HG ARG A 12 1.631 18.352 0.761 1.00 0.00 H ATOM 212 1HD ARG A 12 -0.386 18.977 -0.463 1.00 0.00 H ATOM 213 2HD ARG A 12 -1.292 17.724 0.415 1.00 0.00 H ATOM 214 HE ARG A 12 -1.285 19.043 2.312 1.00 0.00 H ATOM 215 1HH1 ARG A 12 0.818 20.440 -0.131 1.00 0.00 H ATOM 216 2HH1 ARG A 12 0.989 21.965 0.709 1.00 0.00 H ATOM 217 1HH2 ARG A 12 -1.055 21.027 3.392 1.00 0.00 H ATOM 218 2HH2 ARG A 12 -0.071 22.298 2.703 1.00 0.00 H ATOM 219 N GLY A 13 3.750 17.841 -1.734 1.00 0.00 N ATOM 220 CA GLY A 13 4.945 18.661 -1.585 1.00 0.00 C ATOM 221 C GLY A 13 5.853 18.117 -0.489 1.00 0.00 C ATOM 222 O GLY A 13 6.707 18.832 0.036 1.00 0.00 O ATOM 223 H GLY A 13 3.850 16.851 -1.911 1.00 0.00 H ATOM 224 1HA GLY A 13 5.488 18.689 -2.531 1.00 0.00 H ATOM 225 2HA GLY A 13 4.657 19.684 -1.349 1.00 0.00 H ATOM 226 N VAL A 14 5.664 16.847 -0.147 1.00 0.00 N ATOM 227 CA VAL A 14 6.511 16.184 0.837 1.00 0.00 C ATOM 228 C VAL A 14 7.708 15.516 0.173 1.00 0.00 C ATOM 229 O VAL A 14 7.559 14.791 -0.811 1.00 0.00 O ATOM 230 CB VAL A 14 5.703 15.128 1.614 1.00 0.00 C ATOM 231 CG1 VAL A 14 6.587 14.421 2.630 1.00 0.00 C ATOM 232 CG2 VAL A 14 4.514 15.786 2.298 1.00 0.00 C ATOM 233 H VAL A 14 4.914 16.328 -0.579 1.00 0.00 H ATOM 234 HA VAL A 14 6.876 16.933 1.541 1.00 0.00 H ATOM 235 HB VAL A 14 5.347 14.370 0.915 1.00 0.00 H ATOM 236 1HG1 VAL A 14 5.999 13.678 3.169 1.00 0.00 H ATOM 237 2HG1 VAL A 14 7.411 13.927 2.115 1.00 0.00 H ATOM 238 3HG1 VAL A 14 6.984 15.150 3.336 1.00 0.00 H ATOM 239 1HG2 VAL A 14 3.946 15.033 2.844 1.00 0.00 H ATOM 240 2HG2 VAL A 14 4.870 16.547 2.992 1.00 0.00 H ATOM 241 3HG2 VAL A 14 3.873 16.249 1.547 1.00 0.00 H ATOM 242 N SER A 15 8.895 15.764 0.716 1.00 0.00 N ATOM 243 CA SER A 15 10.122 15.197 0.168 1.00 0.00 C ATOM 244 C SER A 15 10.186 13.694 0.403 1.00 0.00 C ATOM 245 O SER A 15 9.698 13.192 1.416 1.00 0.00 O ATOM 246 CB SER A 15 11.331 15.867 0.792 1.00 0.00 C ATOM 247 OG SER A 15 11.372 17.230 0.469 1.00 0.00 O ATOM 248 H SER A 15 8.949 16.361 1.528 1.00 0.00 H ATOM 249 HA SER A 15 10.140 15.384 -0.907 1.00 0.00 H ATOM 250 1HB SER A 15 11.294 15.748 1.875 1.00 0.00 H ATOM 251 2HB SER A 15 12.239 15.380 0.440 1.00 0.00 H ATOM 252 HG SER A 15 12.157 17.580 0.897 1.00 0.00 H ATOM 253 N VAL A 16 10.789 12.977 -0.540 1.00 0.00 N ATOM 254 CA VAL A 16 10.852 11.522 -0.476 1.00 0.00 C ATOM 255 C VAL A 16 12.285 11.040 -0.288 1.00 0.00 C ATOM 256 O VAL A 16 13.230 11.675 -0.758 1.00 0.00 O ATOM 257 CB VAL A 16 10.270 10.905 -1.761 1.00 0.00 C ATOM 258 CG1 VAL A 16 8.762 11.100 -1.809 1.00 0.00 C ATOM 259 CG2 VAL A 16 10.934 11.525 -2.980 1.00 0.00 C ATOM 260 H VAL A 16 11.217 13.455 -1.321 1.00 0.00 H ATOM 261 HA VAL A 16 10.257 11.188 0.375 1.00 0.00 H ATOM 262 HB VAL A 16 10.455 9.830 -1.753 1.00 0.00 H ATOM 263 1HG1 VAL A 16 8.367 10.657 -2.724 1.00 0.00 H ATOM 264 2HG1 VAL A 16 8.304 10.617 -0.946 1.00 0.00 H ATOM 265 3HG1 VAL A 16 8.532 12.165 -1.795 1.00 0.00 H ATOM 266 1HG2 VAL A 16 10.518 11.084 -3.885 1.00 0.00 H ATOM 267 2HG2 VAL A 16 10.754 12.601 -2.985 1.00 0.00 H ATOM 268 3HG2 VAL A 16 12.007 11.337 -2.946 1.00 0.00 H ATOM 269 N ILE A 17 12.441 9.915 0.401 1.00 0.00 N ATOM 270 CA ILE A 17 13.756 9.325 0.618 1.00 0.00 C ATOM 271 C ILE A 17 14.029 8.205 -0.378 1.00 0.00 C ATOM 272 O ILE A 17 13.256 7.251 -0.479 1.00 0.00 O ATOM 273 CB ILE A 17 13.884 8.780 2.052 1.00 0.00 C ATOM 274 CG1 ILE A 17 13.818 9.925 3.066 1.00 0.00 C ATOM 275 CG2 ILE A 17 15.180 7.999 2.211 1.00 0.00 C ATOM 276 CD1 ILE A 17 13.492 9.477 4.473 1.00 0.00 C ATOM 277 H ILE A 17 11.627 9.457 0.785 1.00 0.00 H ATOM 278 HA ILE A 17 14.510 10.102 0.484 1.00 0.00 H ATOM 279 HB ILE A 17 13.044 8.120 2.267 1.00 0.00 H ATOM 280 1HG1 ILE A 17 14.774 10.448 3.087 1.00 0.00 H ATOM 281 2HG1 ILE A 17 13.060 10.644 2.754 1.00 0.00 H ATOM 282 1HG2 ILE A 17 15.254 7.622 3.231 1.00 0.00 H ATOM 283 2HG2 ILE A 17 15.187 7.163 1.513 1.00 0.00 H ATOM 284 3HG2 ILE A 17 16.027 8.653 2.003 1.00 0.00 H ATOM 285 1HD1 ILE A 17 13.462 10.344 5.133 1.00 0.00 H ATOM 286 2HD1 ILE A 17 12.520 8.982 4.481 1.00 0.00 H ATOM 287 3HD1 ILE A 17 14.256 8.784 4.820 1.00 0.00 H ATOM 288 N ARG A 18 15.130 8.326 -1.110 1.00 0.00 N ATOM 289 CA ARG A 18 15.523 7.305 -2.075 1.00 0.00 C ATOM 290 C ARG A 18 16.428 6.260 -1.435 1.00 0.00 C ATOM 291 O ARG A 18 17.312 6.591 -0.644 1.00 0.00 O ATOM 292 CB ARG A 18 16.242 7.936 -3.258 1.00 0.00 C ATOM 293 CG ARG A 18 16.646 6.963 -4.354 1.00 0.00 C ATOM 294 CD ARG A 18 17.160 7.670 -5.555 1.00 0.00 C ATOM 295 NE ARG A 18 18.375 8.414 -5.268 1.00 0.00 N ATOM 296 CZ ARG A 18 19.620 7.902 -5.331 1.00 0.00 C ATOM 297 NH1 ARG A 18 19.796 6.644 -5.673 1.00 0.00 N ATOM 298 NH2 ARG A 18 20.663 8.663 -5.050 1.00 0.00 N ATOM 299 H ARG A 18 15.710 9.144 -0.996 1.00 0.00 H ATOM 300 HA ARG A 18 14.624 6.811 -2.443 1.00 0.00 H ATOM 301 1HB ARG A 18 15.604 8.694 -3.710 1.00 0.00 H ATOM 302 2HB ARG A 18 17.147 8.435 -2.911 1.00 0.00 H ATOM 303 1HG ARG A 18 17.431 6.303 -3.984 1.00 0.00 H ATOM 304 2HG ARG A 18 15.781 6.368 -4.650 1.00 0.00 H ATOM 305 1HD ARG A 18 17.381 6.945 -6.338 1.00 0.00 H ATOM 306 2HD ARG A 18 16.407 8.372 -5.914 1.00 0.00 H ATOM 307 HE ARG A 18 18.280 9.386 -5.002 1.00 0.00 H ATOM 308 1HH1 ARG A 18 18.998 6.063 -5.887 1.00 0.00 H ATOM 309 2HH1 ARG A 18 20.728 6.260 -5.720 1.00 0.00 H ATOM 310 1HH2 ARG A 18 20.528 9.629 -4.788 1.00 0.00 H ATOM 311 2HH2 ARG A 18 21.595 8.278 -5.098 1.00 0.00 H ATOM 312 N PHE A 19 16.201 4.998 -1.779 1.00 0.00 N ATOM 313 CA PHE A 19 17.049 3.910 -1.305 1.00 0.00 C ATOM 314 C PHE A 19 16.916 2.681 -2.195 1.00 0.00 C ATOM 315 O PHE A 19 15.997 2.588 -3.009 1.00 0.00 O ATOM 316 CB PHE A 19 16.693 3.544 0.137 1.00 0.00 C ATOM 317 CG PHE A 19 15.237 3.239 0.343 1.00 0.00 C ATOM 318 CD1 PHE A 19 14.771 1.933 0.282 1.00 0.00 C ATOM 319 CD2 PHE A 19 14.329 4.256 0.596 1.00 0.00 C ATOM 320 CE1 PHE A 19 13.431 1.652 0.471 1.00 0.00 C ATOM 321 CE2 PHE A 19 12.990 3.977 0.787 1.00 0.00 C ATOM 322 CZ PHE A 19 12.541 2.673 0.724 1.00 0.00 C ATOM 323 H PHE A 19 15.420 4.785 -2.384 1.00 0.00 H ATOM 324 HA PHE A 19 18.087 4.244 -1.334 1.00 0.00 H ATOM 325 1HB PHE A 19 17.270 2.672 0.443 1.00 0.00 H ATOM 326 2HB PHE A 19 16.965 4.365 0.799 1.00 0.00 H ATOM 327 HD1 PHE A 19 15.476 1.126 0.083 1.00 0.00 H ATOM 328 HD2 PHE A 19 14.684 5.286 0.646 1.00 0.00 H ATOM 329 HE1 PHE A 19 13.079 0.622 0.420 1.00 0.00 H ATOM 330 HE2 PHE A 19 12.287 4.786 0.986 1.00 0.00 H ATOM 331 HZ PHE A 19 11.485 2.452 0.872 1.00 0.00 H ATOM 332 N LEU A 20 17.839 1.738 -2.035 1.00 0.00 N ATOM 333 CA LEU A 20 17.735 0.444 -2.699 1.00 0.00 C ATOM 334 C LEU A 20 17.333 -0.648 -1.715 1.00 0.00 C ATOM 335 O LEU A 20 17.735 -0.629 -0.552 1.00 0.00 O ATOM 336 CB LEU A 20 19.070 0.079 -3.360 1.00 0.00 C ATOM 337 CG LEU A 20 19.588 1.073 -4.407 1.00 0.00 C ATOM 338 CD1 LEU A 20 21.019 0.715 -4.784 1.00 0.00 C ATOM 339 CD2 LEU A 20 18.678 1.047 -5.626 1.00 0.00 C ATOM 340 H LEU A 20 18.633 1.923 -1.439 1.00 0.00 H ATOM 341 HA LEU A 20 16.972 0.514 -3.475 1.00 0.00 H ATOM 342 1HB LEU A 20 19.829 -0.010 -2.584 1.00 0.00 H ATOM 343 2HB LEU A 20 18.964 -0.890 -3.847 1.00 0.00 H ATOM 344 HG LEU A 20 19.597 2.078 -3.982 1.00 0.00 H ATOM 345 1HD1 LEU A 20 21.387 1.422 -5.528 1.00 0.00 H ATOM 346 2HD1 LEU A 20 21.652 0.761 -3.897 1.00 0.00 H ATOM 347 3HD1 LEU A 20 21.045 -0.292 -5.197 1.00 0.00 H ATOM 348 1HD2 LEU A 20 19.046 1.754 -6.370 1.00 0.00 H ATOM 349 2HD2 LEU A 20 18.670 0.043 -6.052 1.00 0.00 H ATOM 350 3HD2 LEU A 20 17.666 1.324 -5.331 1.00 0.00 H ATOM 351 N VAL A 21 16.537 -1.600 -2.190 1.00 0.00 N ATOM 352 CA VAL A 21 16.080 -2.704 -1.354 1.00 0.00 C ATOM 353 C VAL A 21 16.238 -4.039 -2.069 1.00 0.00 C ATOM 354 O VAL A 21 16.183 -4.107 -3.297 1.00 0.00 O ATOM 355 CB VAL A 21 14.603 -2.503 -0.966 1.00 0.00 C ATOM 356 CG1 VAL A 21 14.068 -1.207 -1.556 1.00 0.00 C ATOM 357 CG2 VAL A 21 13.778 -3.691 -1.438 1.00 0.00 C ATOM 358 H VAL A 21 16.241 -1.559 -3.155 1.00 0.00 H ATOM 359 HA VAL A 21 16.682 -2.721 -0.444 1.00 0.00 H ATOM 360 HB VAL A 21 14.530 -2.417 0.118 1.00 0.00 H ATOM 361 1HG1 VAL A 21 13.023 -1.081 -1.272 1.00 0.00 H ATOM 362 2HG1 VAL A 21 14.650 -0.367 -1.177 1.00 0.00 H ATOM 363 3HG1 VAL A 21 14.146 -1.242 -2.643 1.00 0.00 H ATOM 364 1HG2 VAL A 21 12.735 -3.543 -1.160 1.00 0.00 H ATOM 365 2HG2 VAL A 21 13.856 -3.781 -2.522 1.00 0.00 H ATOM 366 3HG2 VAL A 21 14.152 -4.602 -0.971 1.00 0.00 H ATOM 367 N LEU A 22 16.435 -5.101 -1.294 1.00 0.00 N ATOM 368 CA LEU A 22 16.451 -6.453 -1.837 1.00 0.00 C ATOM 369 C LEU A 22 17.285 -6.526 -3.109 1.00 0.00 C ATOM 370 O LEU A 22 16.785 -6.898 -4.171 1.00 0.00 O ATOM 371 CB LEU A 22 15.021 -6.925 -2.128 1.00 0.00 C ATOM 372 CG LEU A 22 14.304 -7.628 -0.969 1.00 0.00 C ATOM 373 CD1 LEU A 22 12.797 -7.500 -1.151 1.00 0.00 C ATOM 374 CD2 LEU A 22 14.726 -9.089 -0.921 1.00 0.00 C ATOM 375 H LEU A 22 16.577 -4.966 -0.303 1.00 0.00 H ATOM 376 HA LEU A 22 16.896 -7.118 -1.097 1.00 0.00 H ATOM 377 1HB LEU A 22 14.422 -6.062 -2.414 1.00 0.00 H ATOM 378 2HB LEU A 22 15.048 -7.617 -2.970 1.00 0.00 H ATOM 379 HG LEU A 22 14.569 -7.143 -0.029 1.00 0.00 H ATOM 380 1HD1 LEU A 22 12.288 -7.999 -0.326 1.00 0.00 H ATOM 381 2HD1 LEU A 22 12.521 -6.445 -1.162 1.00 0.00 H ATOM 382 3HD1 LEU A 22 12.504 -7.963 -2.092 1.00 0.00 H ATOM 383 1HD2 LEU A 22 14.217 -9.588 -0.096 1.00 0.00 H ATOM 384 2HD2 LEU A 22 14.461 -9.575 -1.860 1.00 0.00 H ATOM 385 3HD2 LEU A 22 15.805 -9.151 -0.772 1.00 0.00 H ATOM 386 N GLY A 23 18.560 -6.169 -2.997 1.00 0.00 N ATOM 387 CA GLY A 23 19.435 -6.075 -4.159 1.00 0.00 C ATOM 388 C GLY A 23 19.414 -4.673 -4.753 1.00 0.00 C ATOM 389 O GLY A 23 19.863 -3.715 -4.124 1.00 0.00 O ATOM 390 H GLY A 23 18.932 -5.957 -2.082 1.00 0.00 H ATOM 391 1HA GLY A 23 20.453 -6.336 -3.870 1.00 0.00 H ATOM 392 2HA GLY A 23 19.120 -6.797 -4.911 1.00 0.00 H ATOM 393 N ARG A 24 18.888 -4.558 -5.967 1.00 0.00 N ATOM 394 CA ARG A 24 18.903 -3.294 -6.693 1.00 0.00 C ATOM 395 C ARG A 24 17.500 -2.891 -7.128 1.00 0.00 C ATOM 396 O ARG A 24 17.233 -2.720 -8.318 1.00 0.00 O ATOM 397 CB ARG A 24 19.801 -3.390 -7.917 1.00 0.00 C ATOM 398 CG ARG A 24 21.248 -3.754 -7.622 1.00 0.00 C ATOM 399 CD ARG A 24 21.954 -2.661 -6.905 1.00 0.00 C ATOM 400 NE ARG A 24 21.767 -1.375 -7.558 1.00 0.00 N ATOM 401 CZ ARG A 24 22.496 -0.934 -8.601 1.00 0.00 C ATOM 402 NH1 ARG A 24 23.455 -1.684 -9.097 1.00 0.00 N ATOM 403 NH2 ARG A 24 22.248 0.254 -9.126 1.00 0.00 N ATOM 404 H ARG A 24 18.467 -5.368 -6.400 1.00 0.00 H ATOM 405 HA ARG A 24 19.300 -2.521 -6.034 1.00 0.00 H ATOM 406 1HB ARG A 24 19.406 -4.140 -8.601 1.00 0.00 H ATOM 407 2HB ARG A 24 19.802 -2.436 -8.444 1.00 0.00 H ATOM 408 1HG ARG A 24 21.278 -4.648 -6.999 1.00 0.00 H ATOM 409 2HG ARG A 24 21.773 -3.946 -8.558 1.00 0.00 H ATOM 410 1HD ARG A 24 21.570 -2.586 -5.888 1.00 0.00 H ATOM 411 2HD ARG A 24 23.021 -2.876 -6.875 1.00 0.00 H ATOM 412 HE ARG A 24 21.038 -0.770 -7.204 1.00 0.00 H ATOM 413 1HH1 ARG A 24 23.645 -2.592 -8.696 1.00 0.00 H ATOM 414 2HH1 ARG A 24 24.001 -1.353 -9.879 1.00 0.00 H ATOM 415 1HH2 ARG A 24 21.510 0.831 -8.744 1.00 0.00 H ATOM 416 2HH2 ARG A 24 22.794 0.584 -9.907 1.00 0.00 H ATOM 417 N HIS A 25 16.606 -2.740 -6.158 1.00 0.00 N ATOM 418 CA HIS A 25 15.302 -2.136 -6.404 1.00 0.00 C ATOM 419 C HIS A 25 15.253 -0.702 -5.895 1.00 0.00 C ATOM 420 O HIS A 25 15.449 -0.448 -4.705 1.00 0.00 O ATOM 421 CB HIS A 25 14.192 -2.957 -5.740 1.00 0.00 C ATOM 422 CG HIS A 25 12.817 -2.418 -5.986 1.00 0.00 C ATOM 423 ND1 HIS A 25 12.195 -2.498 -7.215 1.00 0.00 N ATOM 424 CD2 HIS A 25 11.944 -1.792 -5.162 1.00 0.00 C ATOM 425 CE1 HIS A 25 10.998 -1.944 -7.135 1.00 0.00 C ATOM 426 NE2 HIS A 25 10.822 -1.508 -5.901 1.00 0.00 N ATOM 427 H HIS A 25 16.835 -3.052 -5.224 1.00 0.00 H ATOM 428 HA HIS A 25 15.120 -2.132 -7.479 1.00 0.00 H ATOM 429 1HB HIS A 25 14.227 -3.983 -6.108 1.00 0.00 H ATOM 430 2HB HIS A 25 14.358 -2.990 -4.664 1.00 0.00 H ATOM 431 HD2 HIS A 25 12.102 -1.557 -4.109 1.00 0.00 H ATOM 432 HE1 HIS A 25 10.278 -1.861 -7.949 1.00 0.00 H ATOM 433 HE2 HIS A 25 9.997 -1.041 -5.551 1.00 0.00 H ATOM 434 N GLU A 26 14.992 0.234 -6.800 1.00 0.00 N ATOM 435 CA GLU A 26 14.989 1.651 -6.460 1.00 0.00 C ATOM 436 C GLU A 26 13.585 2.135 -6.123 1.00 0.00 C ATOM 437 O GLU A 26 12.663 2.003 -6.926 1.00 0.00 O ATOM 438 CB GLU A 26 15.560 2.478 -7.614 1.00 0.00 C ATOM 439 CG GLU A 26 15.568 3.980 -7.369 1.00 0.00 C ATOM 440 CD GLU A 26 16.210 4.752 -8.487 1.00 0.00 C ATOM 441 OE1 GLU A 26 16.700 4.137 -9.403 1.00 0.00 O ATOM 442 OE2 GLU A 26 16.209 5.959 -8.426 1.00 0.00 O ATOM 443 H GLU A 26 14.788 -0.044 -7.750 1.00 0.00 H ATOM 444 HA GLU A 26 15.629 1.799 -5.588 1.00 0.00 H ATOM 445 1HB GLU A 26 16.586 2.166 -7.813 1.00 0.00 H ATOM 446 2HB GLU A 26 14.980 2.290 -8.518 1.00 0.00 H ATOM 447 1HG GLU A 26 14.541 4.323 -7.248 1.00 0.00 H ATOM 448 2HG GLU A 26 16.101 4.183 -6.441 1.00 0.00 H ATOM 449 N VAL A 27 13.429 2.696 -4.927 1.00 0.00 N ATOM 450 CA VAL A 27 12.153 3.266 -4.510 1.00 0.00 C ATOM 451 C VAL A 27 12.335 4.672 -3.952 1.00 0.00 C ATOM 452 O VAL A 27 13.421 5.035 -3.499 1.00 0.00 O ATOM 453 CB VAL A 27 11.493 2.374 -3.441 1.00 0.00 C ATOM 454 CG1 VAL A 27 12.369 1.167 -3.141 1.00 0.00 C ATOM 455 CG2 VAL A 27 11.238 3.183 -2.178 1.00 0.00 C ATOM 456 H VAL A 27 14.214 2.728 -4.293 1.00 0.00 H ATOM 457 HA VAL A 27 11.496 3.316 -5.378 1.00 0.00 H ATOM 458 HB VAL A 27 10.547 1.997 -3.829 1.00 0.00 H ATOM 459 1HG1 VAL A 27 11.887 0.547 -2.383 1.00 0.00 H ATOM 460 2HG1 VAL A 27 12.508 0.583 -4.050 1.00 0.00 H ATOM 461 3HG1 VAL A 27 13.338 1.502 -2.771 1.00 0.00 H ATOM 462 1HG2 VAL A 27 10.771 2.546 -1.427 1.00 0.00 H ATOM 463 2HG2 VAL A 27 12.184 3.565 -1.793 1.00 0.00 H ATOM 464 3HG2 VAL A 27 10.576 4.018 -2.408 1.00 0.00 H ATOM 465 N ARG A 28 11.265 5.460 -3.989 1.00 0.00 N ATOM 466 CA ARG A 28 11.228 6.733 -3.278 1.00 0.00 C ATOM 467 C ARG A 28 9.997 6.830 -2.387 1.00 0.00 C ATOM 468 O ARG A 28 8.874 6.952 -2.874 1.00 0.00 O ATOM 469 CB ARG A 28 11.232 7.895 -4.260 1.00 0.00 C ATOM 470 CG ARG A 28 12.520 8.059 -5.052 1.00 0.00 C ATOM 471 CD ARG A 28 12.484 9.268 -5.914 1.00 0.00 C ATOM 472 NE ARG A 28 11.437 9.187 -6.919 1.00 0.00 N ATOM 473 CZ ARG A 28 11.557 8.547 -8.099 1.00 0.00 C ATOM 474 NH1 ARG A 28 12.681 7.938 -8.405 1.00 0.00 N ATOM 475 NH2 ARG A 28 10.544 8.530 -8.948 1.00 0.00 N ATOM 476 H ARG A 28 10.458 5.169 -4.521 1.00 0.00 H ATOM 477 HA ARG A 28 12.120 6.807 -2.654 1.00 0.00 H ATOM 478 1HB ARG A 28 10.419 7.770 -4.975 1.00 0.00 H ATOM 479 2HB ARG A 28 11.054 8.826 -3.723 1.00 0.00 H ATOM 480 1HG ARG A 28 13.360 8.152 -4.364 1.00 0.00 H ATOM 481 2HG ARG A 28 12.668 7.187 -5.690 1.00 0.00 H ATOM 482 1HD ARG A 28 12.298 10.148 -5.299 1.00 0.00 H ATOM 483 2HD ARG A 28 13.440 9.378 -6.425 1.00 0.00 H ATOM 484 HE ARG A 28 10.557 9.644 -6.720 1.00 0.00 H ATOM 485 1HH1 ARG A 28 13.455 7.950 -7.756 1.00 0.00 H ATOM 486 2HH1 ARG A 28 12.771 7.458 -9.289 1.00 0.00 H ATOM 487 1HH2 ARG A 28 9.679 8.998 -8.712 1.00 0.00 H ATOM 488 2HH2 ARG A 28 10.634 8.051 -9.831 1.00 0.00 H ATOM 489 N ALA A 29 10.216 6.775 -1.077 1.00 0.00 N ATOM 490 CA ALA A 29 9.122 6.646 -0.122 1.00 0.00 C ATOM 491 C ALA A 29 8.865 7.962 0.602 1.00 0.00 C ATOM 492 O ALA A 29 9.794 8.602 1.095 1.00 0.00 O ATOM 493 CB ALA A 29 9.421 5.541 0.881 1.00 0.00 C ATOM 494 H ALA A 29 11.166 6.824 -0.734 1.00 0.00 H ATOM 495 HA ALA A 29 8.220 6.365 -0.666 1.00 0.00 H ATOM 496 1HB ALA A 29 8.595 5.458 1.587 1.00 0.00 H ATOM 497 2HB ALA A 29 9.544 4.595 0.354 1.00 0.00 H ATOM 498 3HB ALA A 29 10.336 5.778 1.420 1.00 0.00 H ATOM 499 N GLY A 30 7.598 8.361 0.662 1.00 0.00 N ATOM 500 CA GLY A 30 7.209 9.570 1.378 1.00 0.00 C ATOM 501 C GLY A 30 7.148 9.325 2.880 1.00 0.00 C ATOM 502 O GLY A 30 6.976 10.258 3.664 1.00 0.00 O ATOM 503 H GLY A 30 6.888 7.812 0.201 1.00 0.00 H ATOM 504 1HA GLY A 30 7.924 10.365 1.164 1.00 0.00 H ATOM 505 2HA GLY A 30 6.237 9.907 1.021 1.00 0.00 H ATOM 506 N LEU A 31 7.290 8.064 3.276 1.00 0.00 N ATOM 507 CA LEU A 31 7.290 7.699 4.687 1.00 0.00 C ATOM 508 C LEU A 31 8.703 7.424 5.185 1.00 0.00 C ATOM 509 O LEU A 31 9.398 6.555 4.659 1.00 0.00 O ATOM 510 CB LEU A 31 6.411 6.463 4.916 1.00 0.00 C ATOM 511 CG LEU A 31 4.968 6.569 4.407 1.00 0.00 C ATOM 512 CD1 LEU A 31 4.280 5.217 4.543 1.00 0.00 C ATOM 513 CD2 LEU A 31 4.229 7.640 5.194 1.00 0.00 C ATOM 514 H LEU A 31 7.400 7.340 2.580 1.00 0.00 H ATOM 515 HA LEU A 31 6.872 8.529 5.259 1.00 0.00 H ATOM 516 1HB LEU A 31 6.875 5.611 4.421 1.00 0.00 H ATOM 517 2HB LEU A 31 6.371 6.257 5.985 1.00 0.00 H ATOM 518 HG LEU A 31 4.974 6.835 3.349 1.00 0.00 H ATOM 519 1HD1 LEU A 31 3.255 5.293 4.181 1.00 0.00 H ATOM 520 2HD1 LEU A 31 4.818 4.474 3.955 1.00 0.00 H ATOM 521 3HD1 LEU A 31 4.274 4.916 5.590 1.00 0.00 H ATOM 522 1HD2 LEU A 31 3.203 7.716 4.832 1.00 0.00 H ATOM 523 2HD2 LEU A 31 4.222 7.375 6.252 1.00 0.00 H ATOM 524 3HD2 LEU A 31 4.732 8.599 5.065 1.00 0.00 H ATOM 525 N GLU A 32 9.122 8.169 6.202 1.00 0.00 N ATOM 526 CA GLU A 32 10.452 8.003 6.776 1.00 0.00 C ATOM 527 C GLU A 32 10.611 6.627 7.407 1.00 0.00 C ATOM 528 O GLU A 32 11.694 6.041 7.379 1.00 0.00 O ATOM 529 CB GLU A 32 10.722 9.087 7.822 1.00 0.00 C ATOM 530 CG GLU A 32 10.872 10.490 7.249 1.00 0.00 C ATOM 531 CD GLU A 32 11.047 11.539 8.311 1.00 0.00 C ATOM 532 OE1 GLU A 32 10.928 11.213 9.468 1.00 0.00 O ATOM 533 OE2 GLU A 32 11.301 12.669 7.965 1.00 0.00 O ATOM 534 H GLU A 32 8.504 8.870 6.586 1.00 0.00 H ATOM 535 HA GLU A 32 11.189 8.111 5.980 1.00 0.00 H ATOM 536 1HB GLU A 32 9.906 9.107 8.545 1.00 0.00 H ATOM 537 2HB GLU A 32 11.636 8.849 8.366 1.00 0.00 H ATOM 538 1HG GLU A 32 11.737 10.510 6.588 1.00 0.00 H ATOM 539 2HG GLU A 32 9.989 10.724 6.655 1.00 0.00 H ATOM 540 N GLU A 33 9.526 6.113 7.976 1.00 0.00 N ATOM 541 CA GLU A 33 9.545 4.805 8.620 1.00 0.00 C ATOM 542 C GLU A 33 9.958 3.713 7.641 1.00 0.00 C ATOM 543 O GLU A 33 10.663 2.774 8.005 1.00 0.00 O ATOM 544 CB GLU A 33 8.170 4.480 9.210 1.00 0.00 C ATOM 545 CG GLU A 33 7.790 5.322 10.420 1.00 0.00 C ATOM 546 CD GLU A 33 6.407 5.026 10.928 1.00 0.00 C ATOM 547 OE1 GLU A 33 5.711 4.270 10.293 1.00 0.00 O ATOM 548 OE2 GLU A 33 6.045 5.557 11.951 1.00 0.00 O ATOM 549 H GLU A 33 8.665 6.641 7.962 1.00 0.00 H ATOM 550 HA GLU A 33 10.267 4.832 9.438 1.00 0.00 H ATOM 551 1HB GLU A 33 7.404 4.626 8.448 1.00 0.00 H ATOM 552 2HB GLU A 33 8.140 3.433 9.508 1.00 0.00 H ATOM 553 1HG GLU A 33 8.506 5.134 11.219 1.00 0.00 H ATOM 554 2HG GLU A 33 7.856 6.376 10.152 1.00 0.00 H ATOM 555 N ILE A 34 9.511 3.844 6.396 1.00 0.00 N ATOM 556 CA ILE A 34 9.764 2.828 5.382 1.00 0.00 C ATOM 557 C ILE A 34 11.230 2.817 4.967 1.00 0.00 C ATOM 558 O ILE A 34 11.850 1.757 4.870 1.00 0.00 O ATOM 559 CB ILE A 34 8.881 3.056 4.142 1.00 0.00 C ATOM 560 CG1 ILE A 34 7.403 2.872 4.499 1.00 0.00 C ATOM 561 CG2 ILE A 34 9.283 2.111 3.021 1.00 0.00 C ATOM 562 CD1 ILE A 34 7.031 1.449 4.846 1.00 0.00 C ATOM 563 H ILE A 34 8.985 4.669 6.146 1.00 0.00 H ATOM 564 HA ILE A 34 9.512 1.853 5.799 1.00 0.00 H ATOM 565 HB ILE A 34 8.996 4.084 3.798 1.00 0.00 H ATOM 566 1HG1 ILE A 34 7.152 3.508 5.347 1.00 0.00 H ATOM 567 2HG1 ILE A 34 6.784 3.190 3.659 1.00 0.00 H ATOM 568 1HG2 ILE A 34 8.648 2.286 2.153 1.00 0.00 H ATOM 569 2HG2 ILE A 34 10.323 2.289 2.751 1.00 0.00 H ATOM 570 3HG2 ILE A 34 9.165 1.080 3.354 1.00 0.00 H ATOM 571 1HD1 ILE A 34 5.969 1.399 5.086 1.00 0.00 H ATOM 572 2HD1 ILE A 34 7.242 0.800 3.995 1.00 0.00 H ATOM 573 3HD1 ILE A 34 7.613 1.121 5.706 1.00 0.00 H ATOM 574 N ALA A 35 11.779 4.001 4.721 1.00 0.00 N ATOM 575 CA ALA A 35 13.174 4.129 4.313 1.00 0.00 C ATOM 576 C ALA A 35 14.112 3.594 5.386 1.00 0.00 C ATOM 577 O ALA A 35 15.100 2.926 5.084 1.00 0.00 O ATOM 578 CB ALA A 35 13.503 5.582 3.999 1.00 0.00 C ATOM 579 H ALA A 35 11.217 4.834 4.819 1.00 0.00 H ATOM 580 HA ALA A 35 13.321 3.552 3.400 1.00 0.00 H ATOM 581 1HB ALA A 35 14.547 5.661 3.697 1.00 0.00 H ATOM 582 2HB ALA A 35 12.863 5.933 3.189 1.00 0.00 H ATOM 583 3HB ALA A 35 13.334 6.192 4.885 1.00 0.00 H ATOM 584 N GLU A 36 13.798 3.892 6.643 1.00 0.00 N ATOM 585 CA GLU A 36 14.610 3.436 7.765 1.00 0.00 C ATOM 586 C GLU A 36 14.515 1.926 7.935 1.00 0.00 C ATOM 587 O GLU A 36 15.496 1.268 8.282 1.00 0.00 O ATOM 588 CB GLU A 36 14.174 4.133 9.056 1.00 0.00 C ATOM 589 CG GLU A 36 14.635 5.578 9.177 1.00 0.00 C ATOM 590 CD GLU A 36 14.275 6.199 10.498 1.00 0.00 C ATOM 591 OE1 GLU A 36 13.567 5.576 11.252 1.00 0.00 O ATOM 592 OE2 GLU A 36 14.708 7.298 10.753 1.00 0.00 O ATOM 593 H GLU A 36 12.975 4.449 6.825 1.00 0.00 H ATOM 594 HA GLU A 36 15.649 3.701 7.570 1.00 0.00 H ATOM 595 1HB GLU A 36 13.087 4.121 9.127 1.00 0.00 H ATOM 596 2HB GLU A 36 14.564 3.585 9.914 1.00 0.00 H ATOM 597 1HG GLU A 36 15.718 5.615 9.055 1.00 0.00 H ATOM 598 2HG GLU A 36 14.187 6.160 8.373 1.00 0.00 H ATOM 599 N HIS A 37 13.328 1.381 7.690 1.00 0.00 N ATOM 600 CA HIS A 37 13.107 -0.056 7.798 1.00 0.00 C ATOM 601 C HIS A 37 14.000 -0.825 6.832 1.00 0.00 C ATOM 602 O HIS A 37 14.711 -1.747 7.229 1.00 0.00 O ATOM 603 CB HIS A 37 11.639 -0.400 7.529 1.00 0.00 C ATOM 604 CG HIS A 37 11.342 -1.865 7.597 1.00 0.00 C ATOM 605 ND1 HIS A 37 11.267 -2.555 8.789 1.00 0.00 N ATOM 606 CD2 HIS A 37 11.102 -2.773 6.622 1.00 0.00 C ATOM 607 CE1 HIS A 37 10.993 -3.824 8.543 1.00 0.00 C ATOM 608 NE2 HIS A 37 10.889 -3.982 7.236 1.00 0.00 N ATOM 609 H HIS A 37 12.559 1.978 7.422 1.00 0.00 H ATOM 610 HA HIS A 37 13.344 -0.368 8.816 1.00 0.00 H ATOM 611 1HB HIS A 37 11.006 0.111 8.257 1.00 0.00 H ATOM 612 2HB HIS A 37 11.356 -0.040 6.540 1.00 0.00 H ATOM 613 HD1 HIS A 37 11.324 -2.159 9.706 1.00 0.00 H ATOM 614 HD2 HIS A 37 11.058 -2.697 5.535 1.00 0.00 H ATOM 615 HE1 HIS A 37 10.892 -4.538 9.360 1.00 0.00 H ATOM 616 N TRP A 38 13.958 -0.438 5.561 1.00 0.00 N ATOM 617 CA TRP A 38 14.644 -1.181 4.511 1.00 0.00 C ATOM 618 C TRP A 38 16.156 -1.086 4.668 1.00 0.00 C ATOM 619 O TRP A 38 16.883 -2.030 4.357 1.00 0.00 O ATOM 620 CB TRP A 38 14.237 -0.655 3.133 1.00 0.00 C ATOM 621 CG TRP A 38 12.834 -1.012 2.747 1.00 0.00 C ATOM 622 CD1 TRP A 38 11.753 -0.182 2.742 1.00 0.00 C ATOM 623 CD2 TRP A 38 12.349 -2.303 2.305 1.00 0.00 C ATOM 624 NE1 TRP A 38 10.635 -0.863 2.330 1.00 0.00 N ATOM 625 CE2 TRP A 38 10.981 -2.162 2.057 1.00 0.00 C ATOM 626 CE3 TRP A 38 12.958 -3.548 2.102 1.00 0.00 C ATOM 627 CZ2 TRP A 38 10.203 -3.221 1.616 1.00 0.00 C ATOM 628 CZ3 TRP A 38 12.177 -4.609 1.659 1.00 0.00 C ATOM 629 CH2 TRP A 38 10.836 -4.449 1.422 1.00 0.00 C ATOM 630 H TRP A 38 13.436 0.391 5.316 1.00 0.00 H ATOM 631 HA TRP A 38 14.351 -2.230 4.581 1.00 0.00 H ATOM 632 1HB TRP A 38 14.332 0.431 3.115 1.00 0.00 H ATOM 633 2HB TRP A 38 14.913 -1.055 2.377 1.00 0.00 H ATOM 634 HD1 TRP A 38 11.775 0.870 3.023 1.00 0.00 H ATOM 635 HE1 TRP A 38 9.707 -0.473 2.242 1.00 0.00 H ATOM 636 HE3 TRP A 38 14.024 -3.680 2.286 1.00 0.00 H ATOM 637 HZ2 TRP A 38 9.135 -3.113 1.423 1.00 0.00 H ATOM 638 HZ3 TRP A 38 12.659 -5.575 1.504 1.00 0.00 H ATOM 639 HH2 TRP A 38 10.253 -5.302 1.074 1.00 0.00 H ATOM 640 N GLU A 39 16.625 0.059 5.152 1.00 0.00 N ATOM 641 CA GLU A 39 18.046 0.258 5.408 1.00 0.00 C ATOM 642 C GLU A 39 18.541 -0.661 6.517 1.00 0.00 C ATOM 643 O GLU A 39 19.614 -1.255 6.411 1.00 0.00 O ATOM 644 CB GLU A 39 18.321 1.717 5.780 1.00 0.00 C ATOM 645 CG GLU A 39 18.400 2.665 4.592 1.00 0.00 C ATOM 646 CD GLU A 39 18.754 4.071 4.988 1.00 0.00 C ATOM 647 OE1 GLU A 39 18.808 4.341 6.163 1.00 0.00 O ATOM 648 OE2 GLU A 39 18.970 4.877 4.113 1.00 0.00 O ATOM 649 H GLU A 39 15.979 0.811 5.350 1.00 0.00 H ATOM 650 HA GLU A 39 18.597 0.031 4.493 1.00 0.00 H ATOM 651 1HB GLU A 39 17.536 2.078 6.444 1.00 0.00 H ATOM 652 2HB GLU A 39 19.264 1.782 6.323 1.00 0.00 H ATOM 653 1HG GLU A 39 19.152 2.296 3.895 1.00 0.00 H ATOM 654 2HG GLU A 39 17.439 2.668 4.079 1.00 0.00 H ATOM 655 N ARG A 40 17.754 -0.771 7.581 1.00 0.00 N ATOM 656 CA ARG A 40 18.096 -1.642 8.700 1.00 0.00 C ATOM 657 C ARG A 40 18.174 -3.098 8.261 1.00 0.00 C ATOM 658 O ARG A 40 19.029 -3.852 8.726 1.00 0.00 O ATOM 659 CB ARG A 40 17.071 -1.506 9.816 1.00 0.00 C ATOM 660 CG ARG A 40 17.318 -2.397 11.023 1.00 0.00 C ATOM 661 CD ARG A 40 18.565 -2.021 11.737 1.00 0.00 C ATOM 662 NE ARG A 40 18.830 -2.899 12.865 1.00 0.00 N ATOM 663 CZ ARG A 40 19.470 -4.082 12.780 1.00 0.00 C ATOM 664 NH1 ARG A 40 19.903 -4.512 11.616 1.00 0.00 N ATOM 665 NH2 ARG A 40 19.663 -4.809 13.867 1.00 0.00 N ATOM 666 H ARG A 40 16.895 -0.240 7.616 1.00 0.00 H ATOM 667 HA ARG A 40 19.070 -1.341 9.087 1.00 0.00 H ATOM 668 1HB ARG A 40 17.049 -0.475 10.166 1.00 0.00 H ATOM 669 2HB ARG A 40 16.079 -1.742 9.430 1.00 0.00 H ATOM 670 1HG ARG A 40 16.484 -2.306 11.719 1.00 0.00 H ATOM 671 2HG ARG A 40 17.408 -3.434 10.698 1.00 0.00 H ATOM 672 1HD ARG A 40 19.409 -2.082 11.051 1.00 0.00 H ATOM 673 2HD ARG A 40 18.476 -1.002 12.112 1.00 0.00 H ATOM 674 HE ARG A 40 18.512 -2.602 13.778 1.00 0.00 H ATOM 675 1HH1 ARG A 40 19.756 -3.957 10.785 1.00 0.00 H ATOM 676 2HH1 ARG A 40 20.383 -5.399 11.552 1.00 0.00 H ATOM 677 1HH2 ARG A 40 19.330 -4.478 14.762 1.00 0.00 H ATOM 678 2HH2 ARG A 40 20.142 -5.694 13.803 1.00 0.00 H ATOM 679 N TRP A 41 17.277 -3.490 7.362 1.00 0.00 N ATOM 680 CA TRP A 41 17.261 -4.849 6.836 1.00 0.00 C ATOM 681 C TRP A 41 18.510 -5.135 6.011 1.00 0.00 C ATOM 682 O TRP A 41 19.087 -6.218 6.097 1.00 0.00 O ATOM 683 CB TRP A 41 16.015 -5.073 5.976 1.00 0.00 C ATOM 684 CG TRP A 41 15.915 -6.461 5.419 1.00 0.00 C ATOM 685 CD1 TRP A 41 15.380 -7.551 6.037 1.00 0.00 C ATOM 686 CD2 TRP A 41 16.362 -6.916 4.119 1.00 0.00 C ATOM 687 NE1 TRP A 41 15.465 -8.649 5.217 1.00 0.00 N ATOM 688 CE2 TRP A 41 16.062 -8.278 4.038 1.00 0.00 C ATOM 689 CE3 TRP A 41 16.984 -6.286 3.034 1.00 0.00 C ATOM 690 CZ2 TRP A 41 16.363 -9.031 2.914 1.00 0.00 C ATOM 691 CZ3 TRP A 41 17.284 -7.040 1.905 1.00 0.00 C ATOM 692 CH2 TRP A 41 16.981 -8.377 1.848 1.00 0.00 C ATOM 693 H TRP A 41 16.587 -2.828 7.036 1.00 0.00 H ATOM 694 HA TRP A 41 17.230 -5.545 7.675 1.00 0.00 H ATOM 695 1HB TRP A 41 15.123 -4.878 6.571 1.00 0.00 H ATOM 696 2HB TRP A 41 16.015 -4.369 5.145 1.00 0.00 H ATOM 697 HD1 TRP A 41 14.949 -7.551 7.036 1.00 0.00 H ATOM 698 HE1 TRP A 41 15.142 -9.579 5.443 1.00 0.00 H ATOM 699 HE3 TRP A 41 17.225 -5.224 3.073 1.00 0.00 H ATOM 700 HZ2 TRP A 41 16.130 -10.094 2.849 1.00 0.00 H ATOM 701 HZ3 TRP A 41 17.769 -6.542 1.065 1.00 0.00 H ATOM 702 HH2 TRP A 41 17.230 -8.938 0.947 1.00 0.00 H ATOM 703 N LEU A 42 18.922 -4.156 5.212 1.00 0.00 N ATOM 704 CA LEU A 42 19.963 -4.368 4.215 1.00 0.00 C ATOM 705 C LEU A 42 21.307 -4.650 4.872 1.00 0.00 C ATOM 706 O LEU A 42 21.951 -5.660 4.585 1.00 0.00 O ATOM 707 CB LEU A 42 20.080 -3.141 3.302 1.00 0.00 C ATOM 708 CG LEU A 42 21.177 -3.211 2.231 1.00 0.00 C ATOM 709 CD1 LEU A 42 20.906 -4.386 1.301 1.00 0.00 C ATOM 710 CD2 LEU A 42 21.218 -1.901 1.459 1.00 0.00 C ATOM 711 H LEU A 42 18.502 -3.241 5.299 1.00 0.00 H ATOM 712 HA LEU A 42 19.686 -5.228 3.602 1.00 0.00 H ATOM 713 1HB LEU A 42 19.129 -2.995 2.792 1.00 0.00 H ATOM 714 2HB LEU A 42 20.276 -2.266 3.920 1.00 0.00 H ATOM 715 HG LEU A 42 22.142 -3.381 2.710 1.00 0.00 H ATOM 716 1HD1 LEU A 42 21.685 -4.436 0.541 1.00 0.00 H ATOM 717 2HD1 LEU A 42 20.902 -5.312 1.877 1.00 0.00 H ATOM 718 3HD1 LEU A 42 19.938 -4.253 0.820 1.00 0.00 H ATOM 719 1HD2 LEU A 42 21.998 -1.950 0.699 1.00 0.00 H ATOM 720 2HD2 LEU A 42 20.254 -1.731 0.980 1.00 0.00 H ATOM 721 3HD2 LEU A 42 21.431 -1.081 2.145 1.00 0.00 H ATOM 722 N GLU A 43 21.727 -3.752 5.757 1.00 0.00 N ATOM 723 CA GLU A 43 23.036 -3.857 6.393 1.00 0.00 C ATOM 724 C GLU A 43 23.103 -3.008 7.655 1.00 0.00 C ATOM 725 O GLU A 43 22.437 -1.978 7.760 1.00 0.00 O ATOM 726 OXT GLU A 43 23.812 -3.341 8.564 1.00 0.00 O ATOM 727 CB GLU A 43 24.137 -3.430 5.420 1.00 0.00 C ATOM 728 CG GLU A 43 25.550 -3.573 5.969 1.00 0.00 C ATOM 729 CD GLU A 43 26.609 -3.276 4.943 1.00 0.00 C ATOM 730 OE1 GLU A 43 26.260 -2.983 3.825 1.00 0.00 O ATOM 731 OE2 GLU A 43 27.768 -3.342 5.279 1.00 0.00 O ATOM 732 H GLU A 43 21.124 -2.978 5.996 1.00 0.00 H ATOM 733 HA GLU A 43 23.208 -4.899 6.662 1.00 0.00 H ATOM 734 1HB GLU A 43 24.070 -4.025 4.510 1.00 0.00 H ATOM 735 2HB GLU A 43 23.992 -2.386 5.141 1.00 0.00 H ATOM 736 1HG GLU A 43 25.673 -2.891 6.809 1.00 0.00 H ATOM 737 2HG GLU A 43 25.684 -4.589 6.338 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE start14_0414_0002.pdb label fa_atr fa_rep fa_sol fa_intra_atr_xover4 fa_intra_rep_xover4 fa_intra_sol_xover4 lk_ball lk_ball_iso lk_ball_bridge lk_ball_bridge_uncpl fa_elec fa_intra_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun_dev fa_dun_rot fa_dun_semi p_aa_pp hxl_tors ref rama_prepro gen_bonded total weights 1 0.55 1 1 0.55 1 0.92 -0.38 -0.33 -0.33 1 1 1.25 1 1 1 1 1.25 0.48 0.69 0.76 0.78 0.61 1 1 0.5 1 NA pose -190.565 28.5201 131.748 -23.1795 13.1506 15.4097 68.7065 -78.025 -0.1988 -1.62546 -39.4672 -12.9458 0 -20.8833 -6.40825 0 0 0 4.05994 136.264 26.9492 38.0059 -8.81995 1.35367 -9.18638 5.17783 0 78.0403 SER:NtermProteinFull_1 -2.17492 0.24436 2.55582 -0.03079 0 0.06012 1.51636 -1.20143 -0.02441 -0.212 -0.61986 -1.52958 0 0 0 0 0 0 0.15143 0.24505 0.26546 0 0 0.75367 -0.77834 0 0 -0.77906 VAL_2 -4.86058 0.87374 1.17288 -0.35867 3.06892 0.07684 1.28271 -1.40621 -0.00084 -0.00913 -1.17149 0.03727 0 0 0 0 0 0 -0.04708 48.0779 0.35699 0 0.59213 0 1.9342 0.17783 0 49.7974 GLU_3 -3.18149 0.31356 3.29517 -0.32834 0.0582 0.37421 1.49842 -1.65736 -0.01145 -0.14185 -0.15832 -0.5395 0 0 0 0 0 0 0.0435 0.02316 0 3.29057 -0.09661 0 -2.7348 0.23695 0 0.28402 GLU_4 -3.53136 0.15539 4.52685 -0.21402 0.03118 0.30186 1.90531 -2.01905 -0.01296 -0.07015 -0.74096 -0.59053 0 0 0 0 0 0 0.03657 0 0 3.1129 -0.25625 0 -2.7348 -0.09503 0 -0.19505 ILE_5 -5.9925 0.96566 4.22873 -0.51975 0.70548 0.10354 2.15051 -2.46488 -0.00984 -0.11427 -1.15632 0.02179 0 0 0 0 0 0 -0.0649 0 0.85068 0 -0.30802 0 0.73287 -0.10289 0 -0.97411 ALA_6 -5.8589 0.64928 3.94076 -0.02248 0 0 3.21391 -2.86481 -0 -0 -2.10026 -0.36678 0 0 0 0 0 0 -0.05407 0 0 0 -0.26585 0 1.8394 -0.14919 0 -2.03897 ARG_7 -5.44161 0.27213 5.35198 -0.91418 0.43954 0.67502 2.47617 -2.62574 -0 -0 -1.86263 0.17619 0 0 0 0 0 0 0.19005 0.09883 2.59686 0 -0.08305 0 -1.2888 -0.23235 0 -0.17159 GLU_8 -4.26939 0.16174 5.21964 -0.21477 0.03088 0.30162 2.21855 -2.36298 -0.00984 -0.11427 -1.62447 -0.59301 0 0 0 0 0 0 0.13147 0 0 3.04093 -0.24072 0 -2.7348 -0.21588 0 -1.27532 LEU_9 -7.77987 1.56146 4.97839 -0.47874 0.17004 0.11851 3.11229 -3.10397 -0 -0 -2.86228 0.16093 0 0 0 0 0 0 0.00967 1.67682 0.36498 0 -0.27865 0 0.18072 -0.20758 0 -2.37727 TRP_10 -6.98649 0.69439 5.68426 -1.3753 0.14494 0.54304 2.52637 -3.07231 -0 -0 -1.35745 -0.37177 0 0 0 0 0 0 0.01128 0.66881 0 1.66703 -0.27831 0 1.6906 0.11354 0 0.30266 ARG_11 -3.72547 0.57554 3.58608 -1.59388 0.6095 1.52173 1.2339 -1.78603 -0 -0 -0.54077 -1.05412 0 0 0 0 0 0 0.1652 0 3.28991 0 -0.12088 0 -1.2888 0.08959 0 0.96151 ARG_12 -3.02569 0.23806 3.17857 -1.60651 0.6103 1.55533 1.40745 -1.49507 -0 -0 -0.7252 -1.12036 0 0 0 0 0 0 -0.03327 0 3.16791 0 -0.16835 0 -1.2888 -0.02575 0 0.66862 GLY_13 -2.0168 0.17246 2.50253 -8e-05 0 0 1.04465 -1.27376 -0.00733 -0.11074 -0.65151 -0.31865 0 0 0 0 0 0 -0.05523 0 0 0 -1.54182 0 0.83697 0.90561 0 -0.51368 VAL_14 -4.42412 0.6138 2.77757 -0.27766 0.19319 0.05554 1.93206 -1.77492 -0.00014 -0.00121 -0.83427 0.07544 0 0 0 0 0 0 -0.07794 0.07826 0.13043 0 -0.48729 0 1.9342 0.61188 0 0.52481 SER_15 -1.51994 0.1501 1.14585 -0.02592 0 0.02146 0.32335 -0.71895 -0.02867 -0.2744 -0.06661 -0.11382 0 0 0 0 0 0 0.25532 0 0.49136 0 -0.04607 0.6 -0.77834 -0.56782 0 -1.1531 VAL_16 -4.58292 0.46531 1.14519 -0.31457 0.28871 0.06917 0.40453 -1.20679 -0.00296 -0.00828 -0.10449 -0.29469 0 0 0 0 0 0 -0.05088 0.50443 0.84461 0 -0.3555 0 1.9342 -0.33881 0 -1.60376 ILE_17 -4.7878 0.70873 2.33119 -0.48439 0.45052 0.10956 1.98127 -1.75224 -0.00014 -0.0004 -1.77004 0.10978 0 0 0 0 0 0 0.02911 0.56431 0.4614 0 -0.68238 0 0.73287 -0.35723 0 -2.35589 ARG_18 -3.64372 0.29538 2.43211 -0.91314 0.22162 0.58757 0.64594 -1.0978 -0.003 -0.00928 -1.02758 0.60272 0 0 0 0 0 0 -0.00037 0 2.63449 0 -0.04031 0 -1.2888 -0.48639 0 -1.09053 PHE_19 -8.76213 1.62087 1.52994 -0.99723 0.12447 0.62707 2.02666 -2.27113 -0.00014 -0.0004 -1.60332 -0.20005 0 0 0 0 0 0 0.13711 0.32154 0 1.48645 -0.48882 0 1.0402 -0.01895 0 -5.42786 LEU_20 -4.95167 0.90035 1.55478 -0.47291 0.34956 0.08835 0.66167 -1.4523 -0 -0 -0.81226 0.14663 0 0 0 0 0 0 0.0309 0.23334 0.61021 0 -0.34517 0 0.18072 -0.03776 0 -3.31556 VAL_21 -6.83154 2.13173 2.23563 -0.3651 0.75091 0.08437 2.12238 -2.06037 -0 -0 -0.97831 -0.28288 0 0 0 0 0 0 0.13437 32.0998 0.58987 0 -0.3518 0 1.9342 -0.34983 0 30.8635 LEU_22 -3.11814 1.33529 0.84683 -0.5141 0.23972 0.17032 0.40507 -0.80275 -0 -0 0.48231 -0.02161 0 0 0 0 0 0 0.17369 8.83043 0.21415 0 0.69026 0 0.18072 0.87533 0 9.98753 GLY_23 -1.79095 0.13562 2.07047 -0.0003 0 0 0.44216 -1.01584 -0 -0 0.26016 -0.3438 0 0 0 0 0 0 0.12572 0 0 0 -1.44657 0 0.83697 2.20687 0 1.4805 ARG_24 -2.44836 0.19505 1.38023 -1.25563 0.5082 0.78958 0.26956 -0.8542 -0.00255 -0.00804 -0.08426 0.06505 0 0 0 0 0 0 1.05175 0.84765 1.58874 0 -0.25044 0 -1.2888 1.89365 0 2.39721 HIS_25 -5.03592 0.87401 4.23101 -0.60155 0.01193 0.47652 2.63701 -2.38293 -0 -0 -1.65937 -0.79872 0 0 0 0 0 0 -0.03861 0 0 2.39395 -0.05949 0 -0.45461 0.67591 0 0.26915 GLU_26 -3.36542 0.32701 2.70988 -0.31869 0.07163 0.40023 0.45534 -1.35464 -0.01381 -0.05533 -1.02234 -0.37368 0 0 0 0 0 0 0.10763 0.08994 0 2.87384 0.21197 0 -2.7348 -0.10035 0 -2.09158 VAL_27 -5.86425 2.30658 1.97318 -0.35746 0.68228 0.08197 1.92041 -1.9356 -0 -0 -1.5497 -0.11344 0 0 0 0 0 0 0.5114 39.9373 0.29313 0 -0.34153 0 1.9342 -0.28428 0 39.1942 ARG_28 -4.16618 1.49071 1.64698 -0.89943 0.22188 0.72776 0.41408 -1.05061 -0.01716 -0.06603 -0.07379 -0.02279 0 0 0 0 0 0 0.34753 0.07271 2.48168 0 0.02163 0 -1.2888 0.0143 0 -0.14552 ALA_29 -5.0613 0.37419 1.93145 -0.02511 0.00014 0 2.04887 -1.95134 -0.02148 -0.16487 -0.82636 -0.33955 0 0 0 0 0 0 0.00582 0 0 0 0.52357 0 1.8394 0.37982 0 -1.28676 GLY_30 -3.10147 0.53489 1.44202 -5e-05 0 0 0.67135 -1.19314 -0.01241 -0.04456 0.23108 -0.4193 0 0 0 0 0 0 0.01514 0 0 0 0.34279 0 0.83697 0.20919 0 -0.48749 LEU_31 -5.32609 0.58885 2.32456 -0.49757 0.34885 0.11584 1.62068 -1.67647 -0 -0 -0.23398 0.0908 0 0 0 0 0 0 -0.03488 0.15448 1.07727 0 -0.359 0 0.18072 0.01687 0 -1.60907 GLU_32 -3.12506 0.34608 3.03347 -0.21875 0.03258 0.31239 1.39666 -1.5576 -0.00567 -0.01668 -0.5968 -0.60725 0 0 0 0 0 0 -0.03611 0.0061 0 3.03443 -0.35766 0 -2.7348 -0.30437 0 -1.39905 GLU_33 -2.98566 0.16049 3.25191 -0.21741 0.02986 0.30525 1.12916 -1.55136 -0.00094 -0.01827 -0.7996 -0.59986 0 0 0 0 0 0 -0.03252 0 0 3.04899 -0.28723 0 -2.7348 -0.4168 0 -1.71877 ILE_34 -7.21114 2.31484 3.75767 -0.70234 1.41454 0.15505 2.55408 -2.41719 -0 -0 -0.96057 0.41632 0 0 0 0 0 0 -0.0466 0.40616 0.61558 0 -0.48491 0 0.73287 -0.0402 0 0.50416 ALA_35 -5.48471 0.68081 3.07978 -0.02171 0 0 1.9255 -2.31104 -0 -0 -0.89182 -0.35614 0 0 0 0 0 0 -0.00618 0 0 0 -0.22751 0 1.8394 0.08728 0 -1.68635 GLU_36 -4.06255 0.13307 5.02285 -0.21464 0.02155 0.28675 2.04431 -2.31249 -0.00698 -0.10127 -1.74791 -0.57923 0 0 0 0 0 0 0.03555 0.40914 0 3.04138 -0.32387 0 -2.7348 -0.28159 0 -1.37075 HIS_D_37 -4.67529 0.24696 5.00783 -0.6963 0.01396 0.71597 2.6844 -2.44664 -0 -0 -2.08415 -0.29653 0 0 0 0 0 0 0.18299 0.00525 0 1.50194 -0.28995 0 -0.45461 0.21551 0 -0.36867 TRP_38 -8.16222 1.85625 4.10363 -0.90162 0.02416 0.34633 2.59243 -2.67306 -0 -0 -2.07877 -0.32329 0 0 0 0 0 0 0.16133 0 0 1.707 0.12316 0 1.6906 0.35854 0 -1.17554 GLU_39 -4.30265 0.22476 5.5395 -0.21078 0.01992 0.27351 2.49637 -2.49549 -0.00608 -0.084 -0.80182 -0.55932 0 0 0 0 0 0 0.06161 0.88945 0 3.06578 -0.16459 0 -2.7348 -0.19494 0 1.01643 ARG_40 -2.97825 0.13316 4.08834 -1.60346 0.62417 1.54922 1.57596 -1.86782 -0 -0 -0.98134 -1.11523 0 0 0 0 0 0 0.03855 0 3.32034 0 -0.14198 0 -1.2888 -0.1724 0 1.18046 TRP_41 -4.74019 0.30024 3.13105 -1.32728 0.089 0.57309 1.54376 -1.82977 -0 -0 -0.25771 -0.23116 0 0 0 0 0 0 0.46604 0 0 1.95465 -0.0034 0 1.6906 -0.05549 0 1.30343 LEU_42 -3.59262 0.15238 3.1947 -0.6976 0.46167 0.23842 1.42463 -1.59352 -0 -0 -0.89175 0.22115 0 0 0 0 0 0 0.02784 0 0.70318 0 -0.15147 0 0.18072 0.58236 0 0.26009 GLU:CtermProteinFull_43 -1.61816 0.04486 2.60638 -0.38923 0.08661 0.61655 0.7702 -1.08338 -0 -0 -0.13033 -0.59325 0 0 0 0 0 0 0 0.02325 0 2.78608 0 0 -2.7348 0.56265 0 0.94744 #END_POSE_ENERGIES_TABLE start14_0414_0002.pdb score_per_res -2.22464 total_score -95.6594
HEEH_rd2_0750.pdb
ATOM 1 N SER A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA SER A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C SER A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O SER A 1 1.745 2.198 -0.917 1.00 0.00 O ATOM 5 CB SER A 1 1.980 -0.754 -1.207 1.00 0.00 C ATOM 6 OG SER A 1 3.370 -0.616 -1.323 1.00 0.00 O ATOM 7 1H SER A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 8 2H SER A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 9 3H SER A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 10 HA SER A 1 1.804 -0.509 0.900 1.00 0.00 H ATOM 11 1HB SER A 1 1.723 -1.809 -1.116 1.00 0.00 H ATOM 12 2HB SER A 1 1.498 -0.377 -2.108 1.00 0.00 H ATOM 13 HG SER A 1 3.731 -1.503 -1.246 1.00 0.00 H ATOM 14 N LEU A 2 2.775 1.752 1.034 1.00 0.00 N ATOM 15 CA LEU A 2 3.379 3.074 1.146 1.00 0.00 C ATOM 16 C LEU A 2 4.412 3.303 0.049 1.00 0.00 C ATOM 17 O LEU A 2 4.541 4.409 -0.475 1.00 0.00 O ATOM 18 CB LEU A 2 4.039 3.241 2.521 1.00 0.00 C ATOM 19 CG LEU A 2 3.077 3.342 3.711 1.00 0.00 C ATOM 20 CD1 LEU A 2 3.868 3.270 5.011 1.00 0.00 C ATOM 21 CD2 LEU A 2 2.292 4.642 3.621 1.00 0.00 C ATOM 22 H LEU A 2 2.943 1.071 1.760 1.00 0.00 H ATOM 23 HA LEU A 2 2.593 3.824 1.047 1.00 0.00 H ATOM 24 1HB LEU A 2 4.695 2.390 2.696 1.00 0.00 H ATOM 25 2HB LEU A 2 4.647 4.145 2.507 1.00 0.00 H ATOM 26 HG LEU A 2 2.386 2.499 3.695 1.00 0.00 H ATOM 27 1HD1 LEU A 2 3.185 3.343 5.857 1.00 0.00 H ATOM 28 2HD1 LEU A 2 4.404 2.323 5.058 1.00 0.00 H ATOM 29 3HD1 LEU A 2 4.581 4.094 5.049 1.00 0.00 H ATOM 30 1HD2 LEU A 2 1.608 4.714 4.467 1.00 0.00 H ATOM 31 2HD2 LEU A 2 2.982 5.486 3.639 1.00 0.00 H ATOM 32 3HD2 LEU A 2 1.723 4.659 2.691 1.00 0.00 H ATOM 33 N GLU A 3 5.147 2.250 -0.293 1.00 0.00 N ATOM 34 CA GLU A 3 6.104 2.308 -1.391 1.00 0.00 C ATOM 35 C GLU A 3 5.413 2.641 -2.707 1.00 0.00 C ATOM 36 O GLU A 3 5.886 3.482 -3.472 1.00 0.00 O ATOM 37 CB GLU A 3 6.851 0.978 -1.519 1.00 0.00 C ATOM 38 CG GLU A 3 7.882 0.942 -2.638 1.00 0.00 C ATOM 39 CD GLU A 3 8.633 -0.359 -2.699 1.00 0.00 C ATOM 40 OE1 GLU A 3 8.676 -1.046 -1.706 1.00 0.00 O ATOM 41 OE2 GLU A 3 9.164 -0.668 -3.739 1.00 0.00 O ATOM 42 H GLU A 3 5.040 1.387 0.221 1.00 0.00 H ATOM 43 HA GLU A 3 6.835 3.088 -1.173 1.00 0.00 H ATOM 44 1HB GLU A 3 7.365 0.758 -0.583 1.00 0.00 H ATOM 45 2HB GLU A 3 6.136 0.175 -1.696 1.00 0.00 H ATOM 46 1HG GLU A 3 7.376 1.100 -3.590 1.00 0.00 H ATOM 47 2HG GLU A 3 8.589 1.757 -2.493 1.00 0.00 H ATOM 48 N GLU A 4 4.291 1.978 -2.965 1.00 0.00 N ATOM 49 CA GLU A 4 3.491 2.258 -4.152 1.00 0.00 C ATOM 50 C GLU A 4 3.031 3.709 -4.177 1.00 0.00 C ATOM 51 O GLU A 4 3.072 4.366 -5.217 1.00 0.00 O ATOM 52 CB GLU A 4 2.277 1.327 -4.208 1.00 0.00 C ATOM 53 CG GLU A 4 1.419 1.488 -5.455 1.00 0.00 C ATOM 54 CD GLU A 4 2.099 0.992 -6.701 1.00 0.00 C ATOM 55 OE1 GLU A 4 3.056 0.265 -6.584 1.00 0.00 O ATOM 56 OE2 GLU A 4 1.662 1.342 -7.772 1.00 0.00 O ATOM 57 H GLU A 4 3.984 1.262 -2.322 1.00 0.00 H ATOM 58 HA GLU A 4 4.104 2.070 -5.034 1.00 0.00 H ATOM 59 1HB GLU A 4 2.612 0.290 -4.164 1.00 0.00 H ATOM 60 2HB GLU A 4 1.642 1.504 -3.340 1.00 0.00 H ATOM 61 1HG GLU A 4 0.490 0.935 -5.318 1.00 0.00 H ATOM 62 2HG GLU A 4 1.169 2.541 -5.578 1.00 0.00 H ATOM 63 N ALA A 5 2.593 4.206 -3.025 1.00 0.00 N ATOM 64 CA ALA A 5 2.161 5.593 -2.903 1.00 0.00 C ATOM 65 C ALA A 5 3.286 6.554 -3.268 1.00 0.00 C ATOM 66 O ALA A 5 3.058 7.571 -3.924 1.00 0.00 O ATOM 67 CB ALA A 5 1.665 5.872 -1.492 1.00 0.00 C ATOM 68 H ALA A 5 2.559 3.607 -2.212 1.00 0.00 H ATOM 69 HA ALA A 5 1.326 5.757 -3.585 1.00 0.00 H ATOM 70 1HB ALA A 5 1.346 6.912 -1.417 1.00 0.00 H ATOM 71 2HB ALA A 5 0.823 5.217 -1.266 1.00 0.00 H ATOM 72 3HB ALA A 5 2.469 5.687 -0.781 1.00 0.00 H ATOM 73 N ILE A 6 4.500 6.226 -2.840 1.00 0.00 N ATOM 74 CA ILE A 6 5.676 7.009 -3.200 1.00 0.00 C ATOM 75 C ILE A 6 5.894 7.016 -4.707 1.00 0.00 C ATOM 76 O ILE A 6 6.101 8.069 -5.309 1.00 0.00 O ATOM 77 CB ILE A 6 6.934 6.462 -2.501 1.00 0.00 C ATOM 78 CG1 ILE A 6 6.847 6.688 -0.989 1.00 0.00 C ATOM 79 CG2 ILE A 6 8.185 7.115 -3.069 1.00 0.00 C ATOM 80 CD1 ILE A 6 7.880 5.921 -0.196 1.00 0.00 C ATOM 81 H ILE A 6 4.611 5.414 -2.251 1.00 0.00 H ATOM 82 HA ILE A 6 5.525 8.035 -2.864 1.00 0.00 H ATOM 83 HB ILE A 6 6.997 5.385 -2.655 1.00 0.00 H ATOM 84 1HG1 ILE A 6 6.969 7.749 -0.773 1.00 0.00 H ATOM 85 2HG1 ILE A 6 5.859 6.394 -0.634 1.00 0.00 H ATOM 86 1HG2 ILE A 6 9.065 6.718 -2.563 1.00 0.00 H ATOM 87 2HG2 ILE A 6 8.253 6.905 -4.135 1.00 0.00 H ATOM 88 3HG2 ILE A 6 8.134 8.193 -2.914 1.00 0.00 H ATOM 89 1HD1 ILE A 6 7.754 6.132 0.866 1.00 0.00 H ATOM 90 2HD1 ILE A 6 7.754 4.852 -0.371 1.00 0.00 H ATOM 91 3HD1 ILE A 6 8.878 6.225 -0.510 1.00 0.00 H ATOM 92 N ARG A 7 5.846 5.834 -5.312 1.00 0.00 N ATOM 93 CA ARG A 7 6.104 5.693 -6.740 1.00 0.00 C ATOM 94 C ARG A 7 5.050 6.421 -7.564 1.00 0.00 C ATOM 95 O ARG A 7 5.362 7.041 -8.581 1.00 0.00 O ATOM 96 CB ARG A 7 6.128 4.224 -7.138 1.00 0.00 C ATOM 97 CG ARG A 7 7.307 3.434 -6.593 1.00 0.00 C ATOM 98 CD ARG A 7 7.233 2.001 -6.979 1.00 0.00 C ATOM 99 NE ARG A 7 8.278 1.214 -6.345 1.00 0.00 N ATOM 100 CZ ARG A 7 9.535 1.093 -6.813 1.00 0.00 C ATOM 101 NH1 ARG A 7 9.888 1.712 -7.918 1.00 0.00 N ATOM 102 NH2 ARG A 7 10.415 0.351 -6.162 1.00 0.00 N ATOM 103 H ARG A 7 5.625 5.011 -4.769 1.00 0.00 H ATOM 104 HA ARG A 7 7.080 6.125 -6.960 1.00 0.00 H ATOM 105 1HB ARG A 7 5.217 3.739 -6.790 1.00 0.00 H ATOM 106 2HB ARG A 7 6.149 4.142 -8.224 1.00 0.00 H ATOM 107 1HG ARG A 7 8.235 3.848 -6.987 1.00 0.00 H ATOM 108 2HG ARG A 7 7.315 3.495 -5.504 1.00 0.00 H ATOM 109 1HD ARG A 7 6.269 1.593 -6.679 1.00 0.00 H ATOM 110 2HD ARG A 7 7.345 1.910 -8.059 1.00 0.00 H ATOM 111 HE ARG A 7 8.045 0.723 -5.492 1.00 0.00 H ATOM 112 1HH1 ARG A 7 9.216 2.278 -8.416 1.00 0.00 H ATOM 113 2HH1 ARG A 7 10.830 1.621 -8.269 1.00 0.00 H ATOM 114 1HH2 ARG A 7 10.144 -0.125 -5.312 1.00 0.00 H ATOM 115 2HH2 ARG A 7 11.356 0.261 -6.513 1.00 0.00 H ATOM 116 N ARG A 8 3.800 6.343 -7.120 1.00 0.00 N ATOM 117 CA ARG A 8 2.695 6.980 -7.826 1.00 0.00 C ATOM 118 C ARG A 8 2.687 8.486 -7.593 1.00 0.00 C ATOM 119 O ARG A 8 2.245 9.253 -8.448 1.00 0.00 O ATOM 120 CB ARG A 8 1.364 6.394 -7.377 1.00 0.00 C ATOM 121 CG ARG A 8 1.166 4.925 -7.716 1.00 0.00 C ATOM 122 CD ARG A 8 1.155 4.697 -9.184 1.00 0.00 C ATOM 123 NE ARG A 8 0.977 3.292 -9.513 1.00 0.00 N ATOM 124 CZ ARG A 8 0.946 2.797 -10.766 1.00 0.00 C ATOM 125 NH1 ARG A 8 1.084 3.604 -11.794 1.00 0.00 N ATOM 126 NH2 ARG A 8 0.778 1.501 -10.960 1.00 0.00 N ATOM 127 H ARG A 8 3.611 5.830 -6.271 1.00 0.00 H ATOM 128 HA ARG A 8 2.812 6.792 -8.894 1.00 0.00 H ATOM 129 1HB ARG A 8 1.266 6.499 -6.298 1.00 0.00 H ATOM 130 2HB ARG A 8 0.548 6.952 -7.836 1.00 0.00 H ATOM 131 1HG ARG A 8 1.977 4.339 -7.284 1.00 0.00 H ATOM 132 2HG ARG A 8 0.214 4.583 -7.309 1.00 0.00 H ATOM 133 1HD ARG A 8 0.337 5.259 -9.634 1.00 0.00 H ATOM 134 2HD ARG A 8 2.101 5.029 -9.610 1.00 0.00 H ATOM 135 HE ARG A 8 0.867 2.640 -8.747 1.00 0.00 H ATOM 136 1HH1 ARG A 8 1.213 4.595 -11.645 1.00 0.00 H ATOM 137 2HH1 ARG A 8 1.061 3.233 -12.733 1.00 0.00 H ATOM 138 1HH2 ARG A 8 0.672 0.880 -10.169 1.00 0.00 H ATOM 139 2HH2 ARG A 8 0.756 1.130 -11.899 1.00 0.00 H ATOM 140 N ALA A 9 3.179 8.902 -6.431 1.00 0.00 N ATOM 141 CA ALA A 9 3.347 10.320 -6.135 1.00 0.00 C ATOM 142 C ALA A 9 4.337 10.969 -7.094 1.00 0.00 C ATOM 143 O ALA A 9 4.090 12.058 -7.612 1.00 0.00 O ATOM 144 CB ALA A 9 3.804 10.509 -4.696 1.00 0.00 C ATOM 145 H ALA A 9 3.443 8.219 -5.736 1.00 0.00 H ATOM 146 HA ALA A 9 2.381 10.813 -6.242 1.00 0.00 H ATOM 147 1HB ALA A 9 3.925 11.573 -4.489 1.00 0.00 H ATOM 148 2HB ALA A 9 3.058 10.092 -4.019 1.00 0.00 H ATOM 149 3HB ALA A 9 4.754 10.000 -4.546 1.00 0.00 H ATOM 150 N GLU A 10 5.457 10.295 -7.326 1.00 0.00 N ATOM 151 CA GLU A 10 6.438 10.752 -8.304 1.00 0.00 C ATOM 152 C GLU A 10 5.850 10.767 -9.709 1.00 0.00 C ATOM 153 O GLU A 10 5.982 11.750 -10.437 1.00 0.00 O ATOM 154 CB GLU A 10 7.681 9.860 -8.270 1.00 0.00 C ATOM 155 CG GLU A 10 8.776 10.269 -9.245 1.00 0.00 C ATOM 156 CD GLU A 10 9.987 9.382 -9.170 1.00 0.00 C ATOM 157 OE1 GLU A 10 10.055 8.575 -8.275 1.00 0.00 O ATOM 158 OE2 GLU A 10 10.846 9.512 -10.010 1.00 0.00 O ATOM 159 H GLU A 10 5.635 9.444 -6.813 1.00 0.00 H ATOM 160 HA GLU A 10 6.742 11.766 -8.041 1.00 0.00 H ATOM 161 1HB GLU A 10 8.107 9.867 -7.266 1.00 0.00 H ATOM 162 2HB GLU A 10 7.398 8.832 -8.497 1.00 0.00 H ATOM 163 1HG GLU A 10 8.377 10.235 -10.258 1.00 0.00 H ATOM 164 2HG GLU A 10 9.070 11.297 -9.034 1.00 0.00 H ATOM 165 N GLU A 11 5.200 9.670 -10.084 1.00 0.00 N ATOM 166 CA GLU A 11 4.532 9.581 -11.376 1.00 0.00 C ATOM 167 C GLU A 11 3.599 10.765 -11.598 1.00 0.00 C ATOM 168 O GLU A 11 3.680 11.448 -12.618 1.00 0.00 O ATOM 169 CB GLU A 11 3.744 8.273 -11.480 1.00 0.00 C ATOM 170 CG GLU A 11 2.949 8.118 -12.769 1.00 0.00 C ATOM 171 CD GLU A 11 2.083 6.889 -12.778 1.00 0.00 C ATOM 172 OE1 GLU A 11 2.202 6.095 -11.876 1.00 0.00 O ATOM 173 OE2 GLU A 11 1.300 6.745 -13.687 1.00 0.00 O ATOM 174 H GLU A 11 5.169 8.878 -9.458 1.00 0.00 H ATOM 175 HA GLU A 11 5.291 9.582 -12.160 1.00 0.00 H ATOM 176 1HB GLU A 11 4.429 7.428 -11.406 1.00 0.00 H ATOM 177 2HB GLU A 11 3.046 8.201 -10.646 1.00 0.00 H ATOM 178 1HG GLU A 11 2.316 8.995 -12.901 1.00 0.00 H ATOM 179 2HG GLU A 11 3.642 8.074 -13.608 1.00 0.00 H ATOM 180 N ALA A 12 2.715 11.003 -10.635 1.00 0.00 N ATOM 181 CA ALA A 12 1.750 12.091 -10.734 1.00 0.00 C ATOM 182 C ALA A 12 2.450 13.436 -10.878 1.00 0.00 C ATOM 183 O ALA A 12 2.076 14.254 -11.719 1.00 0.00 O ATOM 184 CB ALA A 12 0.834 12.099 -9.518 1.00 0.00 C ATOM 185 H ALA A 12 2.710 10.414 -9.815 1.00 0.00 H ATOM 186 HA ALA A 12 1.128 11.924 -11.614 1.00 0.00 H ATOM 187 1HB ALA A 12 0.119 12.917 -9.606 1.00 0.00 H ATOM 188 2HB ALA A 12 0.297 11.153 -9.461 1.00 0.00 H ATOM 189 3HB ALA A 12 1.429 12.233 -8.616 1.00 0.00 H ATOM 190 N LEU A 13 3.467 13.660 -10.054 1.00 0.00 N ATOM 191 CA LEU A 13 4.219 14.909 -10.085 1.00 0.00 C ATOM 192 C LEU A 13 4.816 15.158 -11.464 1.00 0.00 C ATOM 193 O LEU A 13 4.731 16.263 -11.998 1.00 0.00 O ATOM 194 CB LEU A 13 5.336 14.881 -9.034 1.00 0.00 C ATOM 195 CG LEU A 13 6.221 16.133 -8.971 1.00 0.00 C ATOM 196 CD1 LEU A 13 5.365 17.344 -8.627 1.00 0.00 C ATOM 197 CD2 LEU A 13 7.319 15.927 -7.938 1.00 0.00 C ATOM 198 H LEU A 13 3.727 12.946 -9.388 1.00 0.00 H ATOM 199 HA LEU A 13 3.539 15.727 -9.845 1.00 0.00 H ATOM 200 1HB LEU A 13 4.886 14.745 -8.052 1.00 0.00 H ATOM 201 2HB LEU A 13 5.983 14.028 -9.236 1.00 0.00 H ATOM 202 HG LEU A 13 6.671 16.309 -9.949 1.00 0.00 H ATOM 203 1HD1 LEU A 13 5.994 18.233 -8.583 1.00 0.00 H ATOM 204 2HD1 LEU A 13 4.601 17.479 -9.393 1.00 0.00 H ATOM 205 3HD1 LEU A 13 4.888 17.189 -7.660 1.00 0.00 H ATOM 206 1HD2 LEU A 13 7.948 16.816 -7.894 1.00 0.00 H ATOM 207 2HD2 LEU A 13 6.870 15.752 -6.960 1.00 0.00 H ATOM 208 3HD2 LEU A 13 7.926 15.066 -8.219 1.00 0.00 H ATOM 209 N ARG A 14 5.422 14.123 -12.036 1.00 0.00 N ATOM 210 CA ARG A 14 6.035 14.227 -13.355 1.00 0.00 C ATOM 211 C ARG A 14 4.991 14.512 -14.427 1.00 0.00 C ATOM 212 O ARG A 14 5.245 15.259 -15.371 1.00 0.00 O ATOM 213 CB ARG A 14 6.778 12.946 -13.703 1.00 0.00 C ATOM 214 CG ARG A 14 8.050 12.707 -12.904 1.00 0.00 C ATOM 215 CD ARG A 14 8.736 11.458 -13.324 1.00 0.00 C ATOM 216 NE ARG A 14 9.902 11.177 -12.502 1.00 0.00 N ATOM 217 CZ ARG A 14 11.120 11.722 -12.689 1.00 0.00 C ATOM 218 NH1 ARG A 14 11.315 12.573 -13.671 1.00 0.00 N ATOM 219 NH2 ARG A 14 12.118 11.401 -11.884 1.00 0.00 N ATOM 220 H ARG A 14 5.459 13.241 -11.545 1.00 0.00 H ATOM 221 HA ARG A 14 6.753 15.048 -13.339 1.00 0.00 H ATOM 222 1HB ARG A 14 6.123 12.091 -13.543 1.00 0.00 H ATOM 223 2HB ARG A 14 7.049 12.958 -14.759 1.00 0.00 H ATOM 224 1HG ARG A 14 8.736 13.542 -13.053 1.00 0.00 H ATOM 225 2HG ARG A 14 7.804 12.624 -11.845 1.00 0.00 H ATOM 226 1HD ARG A 14 8.047 10.619 -13.238 1.00 0.00 H ATOM 227 2HD ARG A 14 9.064 11.554 -14.359 1.00 0.00 H ATOM 228 HE ARG A 14 9.790 10.526 -11.735 1.00 0.00 H ATOM 229 1HH1 ARG A 14 10.552 12.819 -14.286 1.00 0.00 H ATOM 230 2HH1 ARG A 14 12.228 12.981 -13.812 1.00 0.00 H ATOM 231 1HH2 ARG A 14 11.968 10.746 -11.129 1.00 0.00 H ATOM 232 2HH2 ARG A 14 13.030 11.809 -12.025 1.00 0.00 H ATOM 233 N LYS A 15 3.815 13.912 -14.274 1.00 0.00 N ATOM 234 CA LYS A 15 2.727 14.107 -15.225 1.00 0.00 C ATOM 235 C LYS A 15 2.035 15.445 -15.004 1.00 0.00 C ATOM 236 O LYS A 15 1.415 15.993 -15.915 1.00 0.00 O ATOM 237 CB LYS A 15 1.713 12.966 -15.119 1.00 0.00 C ATOM 238 CG LYS A 15 2.215 11.628 -15.644 1.00 0.00 C ATOM 239 CD LYS A 15 1.168 10.538 -15.468 1.00 0.00 C ATOM 240 CE LYS A 15 1.605 9.238 -16.128 1.00 0.00 C ATOM 241 NZ LYS A 15 0.632 8.138 -15.888 1.00 0.00 N ATOM 242 H LYS A 15 3.672 13.306 -13.480 1.00 0.00 H ATOM 243 HA LYS A 15 3.142 14.090 -16.234 1.00 0.00 H ATOM 244 1HB LYS A 15 1.426 12.831 -14.076 1.00 0.00 H ATOM 245 2HB LYS A 15 0.813 13.227 -15.675 1.00 0.00 H ATOM 246 1HG LYS A 15 2.457 11.719 -16.703 1.00 0.00 H ATOM 247 2HG LYS A 15 3.119 11.342 -15.106 1.00 0.00 H ATOM 248 1HD LYS A 15 1.005 10.358 -14.404 1.00 0.00 H ATOM 249 2HD LYS A 15 0.227 10.862 -15.912 1.00 0.00 H ATOM 250 1HE LYS A 15 1.704 9.391 -17.201 1.00 0.00 H ATOM 251 2HE LYS A 15 2.576 8.938 -15.734 1.00 0.00 H ATOM 252 1HZ LYS A 15 0.957 7.295 -16.341 1.00 0.00 H ATOM 253 2HZ LYS A 15 0.545 7.974 -14.895 1.00 0.00 H ATOM 254 3HZ LYS A 15 -0.269 8.396 -16.266 1.00 0.00 H ATOM 255 N GLY A 16 2.144 15.968 -13.787 1.00 0.00 N ATOM 256 CA GLY A 16 1.554 17.259 -13.452 1.00 0.00 C ATOM 257 C GLY A 16 0.271 17.087 -12.649 1.00 0.00 C ATOM 258 O GLY A 16 -0.429 18.058 -12.364 1.00 0.00 O ATOM 259 H GLY A 16 2.648 15.458 -13.076 1.00 0.00 H ATOM 260 1HA GLY A 16 2.270 17.848 -12.878 1.00 0.00 H ATOM 261 2HA GLY A 16 1.344 17.811 -14.367 1.00 0.00 H ATOM 262 N GLN A 17 -0.032 15.845 -12.287 1.00 0.00 N ATOM 263 CA GLN A 17 -1.217 15.547 -11.491 1.00 0.00 C ATOM 264 C GLN A 17 -0.954 15.768 -10.007 1.00 0.00 C ATOM 265 O GLN A 17 0.015 15.247 -9.454 1.00 0.00 O ATOM 266 CB GLN A 17 -1.675 14.106 -11.731 1.00 0.00 C ATOM 267 CG GLN A 17 -2.805 13.652 -10.822 1.00 0.00 C ATOM 268 CD GLN A 17 -4.103 14.385 -11.102 1.00 0.00 C ATOM 269 OE1 GLN A 17 -4.578 14.421 -12.240 1.00 0.00 O ATOM 270 NE2 GLN A 17 -4.685 14.974 -10.063 1.00 0.00 N ATOM 271 H GLN A 17 0.573 15.088 -12.571 1.00 0.00 H ATOM 272 HA GLN A 17 -2.022 16.211 -11.807 1.00 0.00 H ATOM 273 1HB GLN A 17 -2.010 13.997 -12.763 1.00 0.00 H ATOM 274 2HB GLN A 17 -0.834 13.427 -11.587 1.00 0.00 H ATOM 275 1HG GLN A 17 -2.974 12.586 -10.974 1.00 0.00 H ATOM 276 2HG GLN A 17 -2.522 13.841 -9.787 1.00 0.00 H ATOM 277 1HE2 GLN A 17 -5.544 15.472 -10.187 1.00 0.00 H ATOM 278 2HE2 GLN A 17 -4.265 14.919 -9.157 1.00 0.00 H ATOM 279 N THR A 18 -1.821 16.545 -9.367 1.00 0.00 N ATOM 280 CA THR A 18 -1.743 16.755 -7.927 1.00 0.00 C ATOM 281 C THR A 18 -1.966 15.453 -7.167 1.00 0.00 C ATOM 282 O THR A 18 -2.959 14.759 -7.385 1.00 0.00 O ATOM 283 CB THR A 18 -2.769 17.806 -7.463 1.00 0.00 C ATOM 284 OG1 THR A 18 -2.527 19.045 -8.143 1.00 0.00 O ATOM 285 CG2 THR A 18 -2.665 18.027 -5.962 1.00 0.00 C ATOM 286 H THR A 18 -2.553 17.001 -9.892 1.00 0.00 H ATOM 287 HA THR A 18 -0.750 17.134 -7.685 1.00 0.00 H ATOM 288 HB THR A 18 -3.775 17.465 -7.706 1.00 0.00 H ATOM 289 HG1 THR A 18 -1.736 18.965 -8.682 1.00 0.00 H ATOM 290 1HG2 THR A 18 -3.398 18.772 -5.653 1.00 0.00 H ATOM 291 2HG2 THR A 18 -2.860 17.089 -5.442 1.00 0.00 H ATOM 292 3HG2 THR A 18 -1.664 18.377 -5.714 1.00 0.00 H ATOM 293 N PHE A 19 -1.037 15.128 -6.275 1.00 0.00 N ATOM 294 CA PHE A 19 -1.124 13.902 -5.491 1.00 0.00 C ATOM 295 C PHE A 19 -1.375 14.206 -4.019 1.00 0.00 C ATOM 296 O PHE A 19 -0.806 15.146 -3.464 1.00 0.00 O ATOM 297 CB PHE A 19 0.159 13.082 -5.636 1.00 0.00 C ATOM 298 CG PHE A 19 0.200 11.860 -4.764 1.00 0.00 C ATOM 299 CD1 PHE A 19 -0.279 10.644 -5.227 1.00 0.00 C ATOM 300 CD2 PHE A 19 0.716 11.924 -3.478 1.00 0.00 C ATOM 301 CE1 PHE A 19 -0.242 9.518 -4.425 1.00 0.00 C ATOM 302 CE2 PHE A 19 0.755 10.800 -2.675 1.00 0.00 C ATOM 303 CZ PHE A 19 0.275 9.596 -3.150 1.00 0.00 C ATOM 304 H PHE A 19 -0.250 15.746 -6.136 1.00 0.00 H ATOM 305 HA PHE A 19 -1.955 13.306 -5.871 1.00 0.00 H ATOM 306 1HB PHE A 19 0.273 12.765 -6.672 1.00 0.00 H ATOM 307 2HB PHE A 19 1.018 13.705 -5.389 1.00 0.00 H ATOM 308 HD1 PHE A 19 -0.687 10.582 -6.236 1.00 0.00 H ATOM 309 HD2 PHE A 19 1.096 12.875 -3.103 1.00 0.00 H ATOM 310 HE1 PHE A 19 -0.622 8.569 -4.802 1.00 0.00 H ATOM 311 HE2 PHE A 19 1.164 10.864 -1.667 1.00 0.00 H ATOM 312 HZ PHE A 19 0.303 8.710 -2.517 1.00 0.00 H ATOM 313 N GLU A 20 -2.229 13.405 -3.392 1.00 0.00 N ATOM 314 CA GLU A 20 -2.513 13.551 -1.969 1.00 0.00 C ATOM 315 C GLU A 20 -2.771 12.199 -1.317 1.00 0.00 C ATOM 316 O GLU A 20 -3.553 11.394 -1.824 1.00 0.00 O ATOM 317 CB GLU A 20 -3.719 14.469 -1.758 1.00 0.00 C ATOM 318 CG GLU A 20 -4.049 14.748 -0.298 1.00 0.00 C ATOM 319 CD GLU A 20 -5.140 15.768 -0.129 1.00 0.00 C ATOM 320 OE1 GLU A 20 -5.416 16.476 -1.068 1.00 0.00 O ATOM 321 OE2 GLU A 20 -5.697 15.841 0.940 1.00 0.00 O ATOM 322 H GLU A 20 -2.694 12.676 -3.914 1.00 0.00 H ATOM 323 HA GLU A 20 -1.648 14.011 -1.489 1.00 0.00 H ATOM 324 1HB GLU A 20 -3.539 15.426 -2.248 1.00 0.00 H ATOM 325 2HB GLU A 20 -4.600 14.025 -2.221 1.00 0.00 H ATOM 326 1HG GLU A 20 -4.361 13.818 0.177 1.00 0.00 H ATOM 327 2HG GLU A 20 -3.149 15.097 0.206 1.00 0.00 H ATOM 328 N TYR A 21 -2.110 11.955 -0.190 1.00 0.00 N ATOM 329 CA TYR A 21 -2.298 10.716 0.555 1.00 0.00 C ATOM 330 C TYR A 21 -2.020 10.918 2.039 1.00 0.00 C ATOM 331 O TYR A 21 -0.986 11.469 2.417 1.00 0.00 O ATOM 332 CB TYR A 21 -1.400 9.612 -0.007 1.00 0.00 C ATOM 333 CG TYR A 21 -1.553 8.282 0.697 1.00 0.00 C ATOM 334 CD1 TYR A 21 -2.615 7.448 0.379 1.00 0.00 C ATOM 335 CD2 TYR A 21 -0.633 7.897 1.660 1.00 0.00 C ATOM 336 CE1 TYR A 21 -2.756 6.233 1.022 1.00 0.00 C ATOM 337 CE2 TYR A 21 -0.774 6.682 2.303 1.00 0.00 C ATOM 338 CZ TYR A 21 -1.830 5.852 1.987 1.00 0.00 C ATOM 339 OH TYR A 21 -1.970 4.643 2.627 1.00 0.00 O ATOM 340 H TYR A 21 -1.461 12.646 0.159 1.00 0.00 H ATOM 341 HA TYR A 21 -3.332 10.393 0.434 1.00 0.00 H ATOM 342 1HB TYR A 21 -1.622 9.465 -1.065 1.00 0.00 H ATOM 343 2HB TYR A 21 -0.357 9.918 0.068 1.00 0.00 H ATOM 344 HD1 TYR A 21 -3.339 7.751 -0.378 1.00 0.00 H ATOM 345 HD2 TYR A 21 0.201 8.553 1.910 1.00 0.00 H ATOM 346 HE1 TYR A 21 -3.590 5.578 0.772 1.00 0.00 H ATOM 347 HE2 TYR A 21 -0.051 6.380 3.061 1.00 0.00 H ATOM 348 HH TYR A 21 -2.777 4.216 2.330 1.00 0.00 H ATOM 349 N ALA A 22 -2.948 10.470 2.876 1.00 0.00 N ATOM 350 CA ALA A 22 -2.771 10.532 4.322 1.00 0.00 C ATOM 351 C ALA A 22 -2.626 11.972 4.798 1.00 0.00 C ATOM 352 O ALA A 22 -1.947 12.243 5.788 1.00 0.00 O ATOM 353 CB ALA A 22 -1.560 9.712 4.743 1.00 0.00 C ATOM 354 H ALA A 22 -3.799 10.075 2.502 1.00 0.00 H ATOM 355 HA ALA A 22 -3.649 10.093 4.798 1.00 0.00 H ATOM 356 1HB ALA A 22 -1.441 9.768 5.825 1.00 0.00 H ATOM 357 2HB ALA A 22 -1.704 8.672 4.448 1.00 0.00 H ATOM 358 3HB ALA A 22 -0.668 10.106 4.259 1.00 0.00 H ATOM 359 N GLY A 23 -3.268 12.892 4.086 1.00 0.00 N ATOM 360 CA GLY A 23 -3.303 14.291 4.496 1.00 0.00 C ATOM 361 C GLY A 23 -2.095 15.051 3.966 1.00 0.00 C ATOM 362 O GLY A 23 -1.935 16.243 4.227 1.00 0.00 O ATOM 363 H GLY A 23 -3.744 12.616 3.240 1.00 0.00 H ATOM 364 1HA GLY A 23 -4.219 14.755 4.130 1.00 0.00 H ATOM 365 2HA GLY A 23 -3.326 14.350 5.584 1.00 0.00 H ATOM 366 N ILE A 24 -1.245 14.354 3.219 1.00 0.00 N ATOM 367 CA ILE A 24 -0.051 14.963 2.647 1.00 0.00 C ATOM 368 C ILE A 24 -0.203 15.170 1.145 1.00 0.00 C ATOM 369 O ILE A 24 -0.334 14.209 0.387 1.00 0.00 O ATOM 370 CB ILE A 24 1.193 14.099 2.923 1.00 0.00 C ATOM 371 CG1 ILE A 24 1.388 13.909 4.429 1.00 0.00 C ATOM 372 CG2 ILE A 24 2.428 14.729 2.298 1.00 0.00 C ATOM 373 CD1 ILE A 24 2.445 12.889 4.785 1.00 0.00 C ATOM 374 H ILE A 24 -1.432 13.377 3.043 1.00 0.00 H ATOM 375 HA ILE A 24 0.103 15.934 3.119 1.00 0.00 H ATOM 376 HB ILE A 24 1.048 13.107 2.496 1.00 0.00 H ATOM 377 1HG1 ILE A 24 1.665 14.860 4.883 1.00 0.00 H ATOM 378 2HG1 ILE A 24 0.447 13.595 4.881 1.00 0.00 H ATOM 379 1HG2 ILE A 24 3.298 14.105 2.503 1.00 0.00 H ATOM 380 2HG2 ILE A 24 2.289 14.813 1.221 1.00 0.00 H ATOM 381 3HG2 ILE A 24 2.585 15.721 2.722 1.00 0.00 H ATOM 382 1HD1 ILE A 24 2.525 12.810 5.869 1.00 0.00 H ATOM 383 2HD1 ILE A 24 2.169 11.919 4.370 1.00 0.00 H ATOM 384 3HD1 ILE A 24 3.404 13.201 4.373 1.00 0.00 H ATOM 385 N ARG A 25 -0.185 16.429 0.722 1.00 0.00 N ATOM 386 CA ARG A 25 -0.373 16.768 -0.684 1.00 0.00 C ATOM 387 C ARG A 25 0.953 17.106 -1.352 1.00 0.00 C ATOM 388 O ARG A 25 1.688 17.978 -0.888 1.00 0.00 O ATOM 389 CB ARG A 25 -1.325 17.946 -0.829 1.00 0.00 C ATOM 390 CG ARG A 25 -1.635 18.346 -2.262 1.00 0.00 C ATOM 391 CD ARG A 25 -2.690 19.390 -2.326 1.00 0.00 C ATOM 392 NE ARG A 25 -3.981 18.884 -1.889 1.00 0.00 N ATOM 393 CZ ARG A 25 -5.076 19.645 -1.696 1.00 0.00 C ATOM 394 NH1 ARG A 25 -5.019 20.942 -1.904 1.00 0.00 N ATOM 395 NH2 ARG A 25 -6.206 19.088 -1.297 1.00 0.00 N ATOM 396 H ARG A 25 -0.038 17.172 1.391 1.00 0.00 H ATOM 397 HA ARG A 25 -0.811 15.907 -1.192 1.00 0.00 H ATOM 398 1HB ARG A 25 -2.270 17.712 -0.340 1.00 0.00 H ATOM 399 2HB ARG A 25 -0.904 18.817 -0.327 1.00 0.00 H ATOM 400 1HG ARG A 25 -0.734 18.740 -2.733 1.00 0.00 H ATOM 401 2HG ARG A 25 -1.983 17.473 -2.817 1.00 0.00 H ATOM 402 1HD ARG A 25 -2.415 20.224 -1.681 1.00 0.00 H ATOM 403 2HD ARG A 25 -2.791 19.743 -3.351 1.00 0.00 H ATOM 404 HE ARG A 25 -4.063 17.890 -1.719 1.00 0.00 H ATOM 405 1HH1 ARG A 25 -4.155 21.368 -2.209 1.00 0.00 H ATOM 406 2HH1 ARG A 25 -5.840 21.513 -1.759 1.00 0.00 H ATOM 407 1HH2 ARG A 25 -6.249 18.091 -1.137 1.00 0.00 H ATOM 408 2HH2 ARG A 25 -7.026 19.659 -1.152 1.00 0.00 H ATOM 409 N VAL A 26 1.255 16.410 -2.443 1.00 0.00 N ATOM 410 CA VAL A 26 2.466 16.676 -3.210 1.00 0.00 C ATOM 411 C VAL A 26 2.182 17.606 -4.382 1.00 0.00 C ATOM 412 O VAL A 26 1.416 17.268 -5.284 1.00 0.00 O ATOM 413 CB VAL A 26 3.064 15.358 -3.738 1.00 0.00 C ATOM 414 CG1 VAL A 26 4.283 15.636 -4.606 1.00 0.00 C ATOM 415 CG2 VAL A 26 3.428 14.451 -2.572 1.00 0.00 C ATOM 416 H VAL A 26 0.630 15.678 -2.748 1.00 0.00 H ATOM 417 HA VAL A 26 3.194 17.153 -2.553 1.00 0.00 H ATOM 418 HB VAL A 26 2.327 14.862 -4.369 1.00 0.00 H ATOM 419 1HG1 VAL A 26 4.692 14.694 -4.970 1.00 0.00 H ATOM 420 2HG1 VAL A 26 3.992 16.256 -5.453 1.00 0.00 H ATOM 421 3HG1 VAL A 26 5.038 16.156 -4.016 1.00 0.00 H ATOM 422 1HG2 VAL A 26 3.850 13.521 -2.952 1.00 0.00 H ATOM 423 2HG2 VAL A 26 4.161 14.950 -1.938 1.00 0.00 H ATOM 424 3HG2 VAL A 26 2.534 14.232 -1.988 1.00 0.00 H ATOM 425 N THR A 27 2.804 18.780 -4.364 1.00 0.00 N ATOM 426 CA THR A 27 2.638 19.753 -5.437 1.00 0.00 C ATOM 427 C THR A 27 3.957 20.016 -6.151 1.00 0.00 C ATOM 428 O THR A 27 3.978 20.559 -7.256 1.00 0.00 O ATOM 429 CB THR A 27 2.066 21.078 -4.900 1.00 0.00 C ATOM 430 OG1 THR A 27 2.983 21.650 -3.958 1.00 0.00 O ATOM 431 CG2 THR A 27 0.726 20.844 -4.220 1.00 0.00 C ATOM 432 H THR A 27 3.408 19.004 -3.586 1.00 0.00 H ATOM 433 HA THR A 27 1.923 19.353 -6.158 1.00 0.00 H ATOM 434 HB THR A 27 1.931 21.777 -5.726 1.00 0.00 H ATOM 435 HG1 THR A 27 3.005 22.603 -4.073 1.00 0.00 H ATOM 436 1HG2 THR A 27 0.337 21.792 -3.847 1.00 0.00 H ATOM 437 2HG2 THR A 27 0.023 20.420 -4.937 1.00 0.00 H ATOM 438 3HG2 THR A 27 0.856 20.154 -3.388 1.00 0.00 H ATOM 439 N THR A 28 5.057 19.629 -5.514 1.00 0.00 N ATOM 440 CA THR A 28 6.382 19.804 -6.096 1.00 0.00 C ATOM 441 C THR A 28 7.357 18.758 -5.572 1.00 0.00 C ATOM 442 O THR A 28 6.962 17.818 -4.882 1.00 0.00 O ATOM 443 CB THR A 28 6.932 21.214 -5.808 1.00 0.00 C ATOM 444 OG1 THR A 28 8.135 21.422 -6.558 1.00 0.00 O ATOM 445 CG2 THR A 28 7.227 21.378 -4.325 1.00 0.00 C ATOM 446 H THR A 28 4.972 19.202 -4.603 1.00 0.00 H ATOM 447 HA THR A 28 6.301 19.697 -7.179 1.00 0.00 H ATOM 448 HB THR A 28 6.197 21.960 -6.111 1.00 0.00 H ATOM 449 HG1 THR A 28 8.135 22.311 -6.923 1.00 0.00 H ATOM 450 1HG2 THR A 28 7.615 22.380 -4.140 1.00 0.00 H ATOM 451 2HG2 THR A 28 6.311 21.231 -3.753 1.00 0.00 H ATOM 452 3HG2 THR A 28 7.968 20.641 -4.018 1.00 0.00 H ATOM 453 N GLN A 29 8.632 18.926 -5.904 1.00 0.00 N ATOM 454 CA GLN A 29 9.652 17.946 -5.551 1.00 0.00 C ATOM 455 C GLN A 29 9.907 17.933 -4.050 1.00 0.00 C ATOM 456 O GLN A 29 10.064 16.872 -3.446 1.00 0.00 O ATOM 457 CB GLN A 29 10.955 18.234 -6.301 1.00 0.00 C ATOM 458 CG GLN A 29 12.027 17.173 -6.117 1.00 0.00 C ATOM 459 CD GLN A 29 11.618 15.831 -6.695 1.00 0.00 C ATOM 460 OE1 GLN A 29 11.036 15.759 -7.781 1.00 0.00 O ATOM 461 NE2 GLN A 29 11.919 14.759 -5.971 1.00 0.00 N ATOM 462 H GLN A 29 8.903 19.755 -6.414 1.00 0.00 H ATOM 463 HA GLN A 29 9.302 16.958 -5.855 1.00 0.00 H ATOM 464 1HB GLN A 29 10.750 18.323 -7.367 1.00 0.00 H ATOM 465 2HB GLN A 29 11.365 19.187 -5.965 1.00 0.00 H ATOM 466 1HG GLN A 29 12.937 17.499 -6.621 1.00 0.00 H ATOM 467 2HG GLN A 29 12.216 17.042 -5.052 1.00 0.00 H ATOM 468 1HE2 GLN A 29 11.674 13.847 -6.302 1.00 0.00 H ATOM 469 2HE2 GLN A 29 12.391 14.863 -5.096 1.00 0.00 H ATOM 470 N GLU A 30 9.947 19.118 -3.451 1.00 0.00 N ATOM 471 CA GLU A 30 10.106 19.243 -2.007 1.00 0.00 C ATOM 472 C GLU A 30 9.020 18.475 -1.265 1.00 0.00 C ATOM 473 O GLU A 30 9.307 17.705 -0.349 1.00 0.00 O ATOM 474 CB GLU A 30 10.077 20.716 -1.593 1.00 0.00 C ATOM 475 CG GLU A 30 10.216 20.950 -0.095 1.00 0.00 C ATOM 476 CD GLU A 30 10.165 22.406 0.277 1.00 0.00 C ATOM 477 OE1 GLU A 30 10.181 23.226 -0.609 1.00 0.00 O ATOM 478 OE2 GLU A 30 10.109 22.698 1.448 1.00 0.00 O ATOM 479 H GLU A 30 9.866 19.955 -4.011 1.00 0.00 H ATOM 480 HA GLU A 30 11.077 18.832 -1.729 1.00 0.00 H ATOM 481 1HB GLU A 30 10.886 21.250 -2.091 1.00 0.00 H ATOM 482 2HB GLU A 30 9.139 21.166 -1.916 1.00 0.00 H ATOM 483 1HG GLU A 30 9.412 20.427 0.420 1.00 0.00 H ATOM 484 2HG GLU A 30 11.162 20.527 0.242 1.00 0.00 H ATOM 485 N ALA A 31 7.772 18.690 -1.667 1.00 0.00 N ATOM 486 CA ALA A 31 6.641 18.008 -1.049 1.00 0.00 C ATOM 487 C ALA A 31 6.731 16.500 -1.248 1.00 0.00 C ATOM 488 O ALA A 31 6.413 15.726 -0.345 1.00 0.00 O ATOM 489 CB ALA A 31 5.330 18.538 -1.613 1.00 0.00 C ATOM 490 H ALA A 31 7.602 19.342 -2.419 1.00 0.00 H ATOM 491 HA ALA A 31 6.650 18.221 0.021 1.00 0.00 H ATOM 492 1HB ALA A 31 4.495 18.019 -1.142 1.00 0.00 H ATOM 493 2HB ALA A 31 5.254 19.607 -1.412 1.00 0.00 H ATOM 494 3HB ALA A 31 5.302 18.369 -2.688 1.00 0.00 H ATOM 495 N LEU A 32 7.166 16.090 -2.434 1.00 0.00 N ATOM 496 CA LEU A 32 7.367 14.676 -2.729 1.00 0.00 C ATOM 497 C LEU A 32 8.413 14.064 -1.806 1.00 0.00 C ATOM 498 O LEU A 32 8.224 12.967 -1.280 1.00 0.00 O ATOM 499 CB LEU A 32 7.797 14.496 -4.190 1.00 0.00 C ATOM 500 CG LEU A 32 8.080 13.053 -4.627 1.00 0.00 C ATOM 501 CD1 LEU A 32 6.831 12.206 -4.423 1.00 0.00 C ATOM 502 CD2 LEU A 32 8.517 13.040 -6.085 1.00 0.00 C ATOM 503 H LEU A 32 7.364 16.775 -3.149 1.00 0.00 H ATOM 504 HA LEU A 32 6.421 14.154 -2.581 1.00 0.00 H ATOM 505 1HB LEU A 32 7.012 14.889 -4.834 1.00 0.00 H ATOM 506 2HB LEU A 32 8.703 15.077 -4.361 1.00 0.00 H ATOM 507 HG LEU A 32 8.872 12.634 -4.007 1.00 0.00 H ATOM 508 1HD1 LEU A 32 7.032 11.180 -4.733 1.00 0.00 H ATOM 509 2HD1 LEU A 32 6.552 12.217 -3.369 1.00 0.00 H ATOM 510 3HD1 LEU A 32 6.015 12.612 -5.019 1.00 0.00 H ATOM 511 1HD2 LEU A 32 8.719 12.014 -6.395 1.00 0.00 H ATOM 512 2HD2 LEU A 32 7.724 13.458 -6.706 1.00 0.00 H ATOM 513 3HD2 LEU A 32 9.421 13.638 -6.199 1.00 0.00 H ATOM 514 N GLU A 33 9.516 14.778 -1.614 1.00 0.00 N ATOM 515 CA GLU A 33 10.594 14.307 -0.753 1.00 0.00 C ATOM 516 C GLU A 33 10.130 14.182 0.692 1.00 0.00 C ATOM 517 O GLU A 33 10.476 13.226 1.386 1.00 0.00 O ATOM 518 CB GLU A 33 11.794 15.253 -0.834 1.00 0.00 C ATOM 519 CG GLU A 33 12.539 15.211 -2.160 1.00 0.00 C ATOM 520 CD GLU A 33 13.207 13.888 -2.415 1.00 0.00 C ATOM 521 OE1 GLU A 33 13.760 13.336 -1.494 1.00 0.00 O ATOM 522 OE2 GLU A 33 13.165 13.429 -3.532 1.00 0.00 O ATOM 523 H GLU A 33 9.611 15.671 -2.077 1.00 0.00 H ATOM 524 HA GLU A 33 10.913 13.324 -1.104 1.00 0.00 H ATOM 525 1HB GLU A 33 11.461 16.278 -0.670 1.00 0.00 H ATOM 526 2HB GLU A 33 12.504 15.008 -0.044 1.00 0.00 H ATOM 527 1HG GLU A 33 11.835 15.410 -2.968 1.00 0.00 H ATOM 528 2HG GLU A 33 13.291 15.999 -2.168 1.00 0.00 H ATOM 529 N LYS A 34 9.344 15.155 1.142 1.00 0.00 N ATOM 530 CA LYS A 34 8.796 15.134 2.493 1.00 0.00 C ATOM 531 C LYS A 34 7.828 13.973 2.677 1.00 0.00 C ATOM 532 O LYS A 34 7.846 13.294 3.703 1.00 0.00 O ATOM 533 CB LYS A 34 8.097 16.458 2.807 1.00 0.00 C ATOM 534 CG LYS A 34 9.040 17.639 2.991 1.00 0.00 C ATOM 535 CD LYS A 34 8.269 18.928 3.235 1.00 0.00 C ATOM 536 CE LYS A 34 9.210 20.103 3.459 1.00 0.00 C ATOM 537 NZ LYS A 34 8.473 21.388 3.600 1.00 0.00 N ATOM 538 H LYS A 34 9.121 15.928 0.532 1.00 0.00 H ATOM 539 HA LYS A 34 9.620 15.018 3.199 1.00 0.00 H ATOM 540 1HB LYS A 34 7.405 16.704 2.002 1.00 0.00 H ATOM 541 2HB LYS A 34 7.511 16.352 3.721 1.00 0.00 H ATOM 542 1HG LYS A 34 9.696 17.452 3.842 1.00 0.00 H ATOM 543 2HG LYS A 34 9.655 17.756 2.100 1.00 0.00 H ATOM 544 1HD LYS A 34 7.634 19.141 2.373 1.00 0.00 H ATOM 545 2HD LYS A 34 7.634 18.812 4.112 1.00 0.00 H ATOM 546 1HE LYS A 34 9.796 19.933 4.361 1.00 0.00 H ATOM 547 2HE LYS A 34 9.897 20.184 2.617 1.00 0.00 H ATOM 548 1HZ LYS A 34 9.131 22.140 3.747 1.00 0.00 H ATOM 549 2HZ LYS A 34 7.940 21.565 2.760 1.00 0.00 H ATOM 550 3HZ LYS A 34 7.846 21.331 4.390 1.00 0.00 H ATOM 551 N PHE A 35 6.982 13.750 1.676 1.00 0.00 N ATOM 552 CA PHE A 35 6.071 12.612 1.682 1.00 0.00 C ATOM 553 C PHE A 35 6.835 11.295 1.717 1.00 0.00 C ATOM 554 O PHE A 35 6.536 10.414 2.522 1.00 0.00 O ATOM 555 CB PHE A 35 5.162 12.649 0.452 1.00 0.00 C ATOM 556 CG PHE A 35 4.262 11.453 0.328 1.00 0.00 C ATOM 557 CD1 PHE A 35 3.159 11.309 1.157 1.00 0.00 C ATOM 558 CD2 PHE A 35 4.515 10.469 -0.616 1.00 0.00 C ATOM 559 CE1 PHE A 35 2.329 10.209 1.044 1.00 0.00 C ATOM 560 CE2 PHE A 35 3.688 9.370 -0.732 1.00 0.00 C ATOM 561 CZ PHE A 35 2.593 9.240 0.100 1.00 0.00 C ATOM 562 H PHE A 35 6.970 14.386 0.891 1.00 0.00 H ATOM 563 HA PHE A 35 5.444 12.676 2.572 1.00 0.00 H ATOM 564 1HB PHE A 35 4.539 13.541 0.486 1.00 0.00 H ATOM 565 2HB PHE A 35 5.772 12.710 -0.448 1.00 0.00 H ATOM 566 HD1 PHE A 35 2.949 12.076 1.903 1.00 0.00 H ATOM 567 HD2 PHE A 35 5.380 10.572 -1.272 1.00 0.00 H ATOM 568 HE1 PHE A 35 1.466 10.108 1.702 1.00 0.00 H ATOM 569 HE2 PHE A 35 3.898 8.604 -1.478 1.00 0.00 H ATOM 570 HZ PHE A 35 1.941 8.372 0.011 1.00 0.00 H ATOM 571 N ARG A 36 7.823 11.167 0.838 1.00 0.00 N ATOM 572 CA ARG A 36 8.618 9.948 0.751 1.00 0.00 C ATOM 573 C ARG A 36 9.269 9.618 2.088 1.00 0.00 C ATOM 574 O ARG A 36 9.223 8.477 2.548 1.00 0.00 O ATOM 575 CB ARG A 36 9.696 10.086 -0.314 1.00 0.00 C ATOM 576 CG ARG A 36 10.579 8.861 -0.494 1.00 0.00 C ATOM 577 CD ARG A 36 11.541 9.037 -1.611 1.00 0.00 C ATOM 578 NE ARG A 36 12.514 10.080 -1.330 1.00 0.00 N ATOM 579 CZ ARG A 36 13.598 9.924 -0.545 1.00 0.00 C ATOM 580 NH1 ARG A 36 13.832 8.765 0.029 1.00 0.00 N ATOM 581 NH2 ARG A 36 14.425 10.937 -0.351 1.00 0.00 N ATOM 582 H ARG A 36 8.029 11.934 0.214 1.00 0.00 H ATOM 583 HA ARG A 36 7.960 9.125 0.470 1.00 0.00 H ATOM 584 1HB ARG A 36 9.232 10.302 -1.275 1.00 0.00 H ATOM 585 2HB ARG A 36 10.345 10.927 -0.068 1.00 0.00 H ATOM 586 1HG ARG A 36 11.144 8.683 0.421 1.00 0.00 H ATOM 587 2HG ARG A 36 9.956 7.993 -0.711 1.00 0.00 H ATOM 588 1HD ARG A 36 12.080 8.105 -1.778 1.00 0.00 H ATOM 589 2HD ARG A 36 11.001 9.310 -2.517 1.00 0.00 H ATOM 590 HE ARG A 36 12.367 10.987 -1.754 1.00 0.00 H ATOM 591 1HH1 ARG A 36 13.200 7.991 -0.119 1.00 0.00 H ATOM 592 2HH1 ARG A 36 14.644 8.648 0.618 1.00 0.00 H ATOM 593 1HH2 ARG A 36 14.244 11.828 -0.792 1.00 0.00 H ATOM 594 2HH2 ARG A 36 15.236 10.820 0.238 1.00 0.00 H ATOM 595 N LYS A 37 9.876 10.624 2.709 1.00 0.00 N ATOM 596 CA LYS A 37 10.510 10.451 4.010 1.00 0.00 C ATOM 597 C LYS A 37 9.507 9.970 5.052 1.00 0.00 C ATOM 598 O LYS A 37 9.789 9.051 5.821 1.00 0.00 O ATOM 599 CB LYS A 37 11.158 11.758 4.469 1.00 0.00 C ATOM 600 CG LYS A 37 12.418 12.138 3.703 1.00 0.00 C ATOM 601 CD LYS A 37 12.974 13.471 4.180 1.00 0.00 C ATOM 602 CE LYS A 37 14.221 13.863 3.401 1.00 0.00 C ATOM 603 NZ LYS A 37 14.773 15.169 3.853 1.00 0.00 N ATOM 604 H LYS A 37 9.898 11.533 2.268 1.00 0.00 H ATOM 605 HA LYS A 37 11.299 9.705 3.914 1.00 0.00 H ATOM 606 1HB LYS A 37 10.443 12.575 4.364 1.00 0.00 H ATOM 607 2HB LYS A 37 11.418 11.684 5.525 1.00 0.00 H ATOM 608 1HG LYS A 37 13.176 11.367 3.843 1.00 0.00 H ATOM 609 2HG LYS A 37 12.189 12.209 2.640 1.00 0.00 H ATOM 610 1HD LYS A 37 12.218 14.247 4.054 1.00 0.00 H ATOM 611 2HD LYS A 37 13.226 13.402 5.238 1.00 0.00 H ATOM 612 1HE LYS A 37 14.984 13.097 3.527 1.00 0.00 H ATOM 613 2HE LYS A 37 13.980 13.933 2.340 1.00 0.00 H ATOM 614 1HZ LYS A 37 15.596 15.392 3.312 1.00 0.00 H ATOM 615 2HZ LYS A 37 14.079 15.892 3.723 1.00 0.00 H ATOM 616 3HZ LYS A 37 15.018 15.111 4.831 1.00 0.00 H ATOM 617 N TRP A 38 8.336 10.596 5.072 1.00 0.00 N ATOM 618 CA TRP A 38 7.264 10.188 5.971 1.00 0.00 C ATOM 619 C TRP A 38 6.868 8.736 5.733 1.00 0.00 C ATOM 620 O TRP A 38 6.771 7.947 6.673 1.00 0.00 O ATOM 621 CB TRP A 38 6.042 11.090 5.789 1.00 0.00 C ATOM 622 CG TRP A 38 4.813 10.581 6.480 1.00 0.00 C ATOM 623 CD1 TRP A 38 4.472 10.776 7.785 1.00 0.00 C ATOM 624 CD2 TRP A 38 3.750 9.785 5.903 1.00 0.00 C ATOM 625 NE1 TRP A 38 3.277 10.159 8.059 1.00 0.00 N ATOM 626 CE2 TRP A 38 2.820 9.549 6.918 1.00 0.00 C ATOM 627 CE3 TRP A 38 3.517 9.262 4.625 1.00 0.00 C ATOM 628 CZ2 TRP A 38 1.668 8.809 6.701 1.00 0.00 C ATOM 629 CZ3 TRP A 38 2.362 8.521 4.406 1.00 0.00 C ATOM 630 CH2 TRP A 38 1.461 8.301 5.418 1.00 0.00 C ATOM 631 H TRP A 38 8.184 11.376 4.447 1.00 0.00 H ATOM 632 HA TRP A 38 7.616 10.290 6.998 1.00 0.00 H ATOM 633 1HB TRP A 38 6.264 12.086 6.173 1.00 0.00 H ATOM 634 2HB TRP A 38 5.820 11.192 4.727 1.00 0.00 H ATOM 635 HD1 TRP A 38 5.062 11.340 8.505 1.00 0.00 H ATOM 636 HE1 TRP A 38 2.809 10.154 8.954 1.00 0.00 H ATOM 637 HE3 TRP A 38 4.227 9.436 3.817 1.00 0.00 H ATOM 638 HZ2 TRP A 38 0.941 8.623 7.492 1.00 0.00 H ATOM 639 HZ3 TRP A 38 2.188 8.117 3.409 1.00 0.00 H ATOM 640 HH2 TRP A 38 0.565 7.716 5.212 1.00 0.00 H ATOM 641 N ALA A 39 6.640 8.390 4.471 1.00 0.00 N ATOM 642 CA ALA A 39 6.151 7.063 4.117 1.00 0.00 C ATOM 643 C ALA A 39 7.183 5.991 4.443 1.00 0.00 C ATOM 644 O ALA A 39 6.837 4.898 4.892 1.00 0.00 O ATOM 645 CB ALA A 39 5.782 7.010 2.642 1.00 0.00 C ATOM 646 H ALA A 39 6.809 9.064 3.738 1.00 0.00 H ATOM 647 HA ALA A 39 5.246 6.862 4.692 1.00 0.00 H ATOM 648 1HB ALA A 39 5.419 6.013 2.393 1.00 0.00 H ATOM 649 2HB ALA A 39 5.001 7.742 2.436 1.00 0.00 H ATOM 650 3HB ALA A 39 6.659 7.237 2.039 1.00 0.00 H ATOM 651 N GLU A 40 8.453 6.310 4.214 1.00 0.00 N ATOM 652 CA GLU A 40 9.540 5.381 4.500 1.00 0.00 C ATOM 653 C GLU A 40 9.693 5.157 5.999 1.00 0.00 C ATOM 654 O GLU A 40 10.001 4.051 6.442 1.00 0.00 O ATOM 655 CB GLU A 40 10.854 5.903 3.915 1.00 0.00 C ATOM 656 CG GLU A 40 10.939 5.833 2.397 1.00 0.00 C ATOM 657 CD GLU A 40 12.213 6.418 1.855 1.00 0.00 C ATOM 658 OE1 GLU A 40 13.013 6.876 2.635 1.00 0.00 O ATOM 659 OE2 GLU A 40 12.386 6.407 0.659 1.00 0.00 O ATOM 660 H GLU A 40 8.670 7.219 3.833 1.00 0.00 H ATOM 661 HA GLU A 40 9.313 4.426 4.025 1.00 0.00 H ATOM 662 1HB GLU A 40 10.997 6.942 4.211 1.00 0.00 H ATOM 663 2HB GLU A 40 11.687 5.329 4.324 1.00 0.00 H ATOM 664 1HG GLU A 40 10.871 4.790 2.088 1.00 0.00 H ATOM 665 2HG GLU A 40 10.090 6.366 1.972 1.00 0.00 H ATOM 666 N LYS A 41 9.475 6.213 6.775 1.00 0.00 N ATOM 667 CA LYS A 41 9.503 6.114 8.230 1.00 0.00 C ATOM 668 C LYS A 41 8.326 5.296 8.748 1.00 0.00 C ATOM 669 O LYS A 41 8.442 4.590 9.750 1.00 0.00 O ATOM 670 CB LYS A 41 9.495 7.506 8.862 1.00 0.00 C ATOM 671 CG LYS A 41 10.802 8.273 8.711 1.00 0.00 C ATOM 672 CD LYS A 41 10.703 9.661 9.326 1.00 0.00 C ATOM 673 CE LYS A 41 12.008 10.429 9.174 1.00 0.00 C ATOM 674 NZ LYS A 41 11.925 11.790 9.770 1.00 0.00 N ATOM 675 H LYS A 41 9.286 7.108 6.347 1.00 0.00 H ATOM 676 HA LYS A 41 10.429 5.620 8.525 1.00 0.00 H ATOM 677 1HB LYS A 41 8.702 8.105 8.413 1.00 0.00 H ATOM 678 2HB LYS A 41 9.278 7.421 9.927 1.00 0.00 H ATOM 679 1HG LYS A 41 11.606 7.723 9.204 1.00 0.00 H ATOM 680 2HG LYS A 41 11.047 8.369 7.654 1.00 0.00 H ATOM 681 1HD LYS A 41 9.903 10.219 8.838 1.00 0.00 H ATOM 682 2HD LYS A 41 10.466 9.573 10.386 1.00 0.00 H ATOM 683 1HE LYS A 41 12.811 9.880 9.663 1.00 0.00 H ATOM 684 2HE LYS A 41 12.253 10.524 8.117 1.00 0.00 H ATOM 685 1HZ LYS A 41 12.807 12.266 9.649 1.00 0.00 H ATOM 686 2HZ LYS A 41 11.193 12.315 9.311 1.00 0.00 H ATOM 687 3HZ LYS A 41 11.716 11.715 10.755 1.00 0.00 H ATOM 688 N GLN A 42 7.194 5.396 8.060 1.00 0.00 N ATOM 689 CA GLN A 42 6.011 4.623 8.416 1.00 0.00 C ATOM 690 C GLN A 42 6.139 3.177 7.954 1.00 0.00 C ATOM 691 O GLN A 42 5.601 2.264 8.582 1.00 0.00 O ATOM 692 CB GLN A 42 4.755 5.255 7.811 1.00 0.00 C ATOM 693 CG GLN A 42 4.379 6.596 8.417 1.00 0.00 C ATOM 694 CD GLN A 42 4.043 6.490 9.893 1.00 0.00 C ATOM 695 OE1 GLN A 42 3.302 5.597 10.313 1.00 0.00 O ATOM 696 NE2 GLN A 42 4.588 7.403 10.690 1.00 0.00 N ATOM 697 H GLN A 42 7.152 6.025 7.271 1.00 0.00 H ATOM 698 HA GLN A 42 5.902 4.635 9.501 1.00 0.00 H ATOM 699 1HB GLN A 42 4.900 5.399 6.740 1.00 0.00 H ATOM 700 2HB GLN A 42 3.909 4.579 7.938 1.00 0.00 H ATOM 701 1HG GLN A 42 5.219 7.282 8.306 1.00 0.00 H ATOM 702 2HG GLN A 42 3.506 6.988 7.895 1.00 0.00 H ATOM 703 1HE2 GLN A 42 4.402 7.383 11.673 1.00 0.00 H ATOM 704 2HE2 GLN A 42 5.183 8.109 10.308 1.00 0.00 H ATOM 705 N LYS A 43 6.854 2.974 6.853 1.00 0.00 N ATOM 706 CA LYS A 43 7.071 1.636 6.316 1.00 0.00 C ATOM 707 C LYS A 43 7.916 0.793 7.262 1.00 0.00 C ATOM 708 O LYS A 43 8.756 1.317 7.994 1.00 0.00 O ATOM 709 OXT LYS A 43 7.768 -0.397 7.301 1.00 0.00 O ATOM 710 CB LYS A 43 7.738 1.712 4.942 1.00 0.00 C ATOM 711 CG LYS A 43 7.937 0.362 4.264 1.00 0.00 C ATOM 712 CD LYS A 43 8.568 0.523 2.889 1.00 0.00 C ATOM 713 CE LYS A 43 8.801 -0.826 2.225 1.00 0.00 C ATOM 714 NZ LYS A 43 9.470 -0.688 0.903 1.00 0.00 N ATOM 715 H LYS A 43 7.258 3.767 6.375 1.00 0.00 H ATOM 716 HA LYS A 43 6.102 1.152 6.189 1.00 0.00 H ATOM 717 1HB LYS A 43 7.136 2.333 4.279 1.00 0.00 H ATOM 718 2HB LYS A 43 8.715 2.186 5.037 1.00 0.00 H ATOM 719 1HG LYS A 43 8.584 -0.263 4.880 1.00 0.00 H ATOM 720 2HG LYS A 43 6.975 -0.136 4.157 1.00 0.00 H ATOM 721 1HD LYS A 43 7.913 1.122 2.255 1.00 0.00 H ATOM 722 2HD LYS A 43 9.524 1.039 2.984 1.00 0.00 H ATOM 723 1HE LYS A 43 9.422 -1.447 2.869 1.00 0.00 H ATOM 724 2HE LYS A 43 7.845 -1.331 2.083 1.00 0.00 H ATOM 725 1HZ LYS A 43 9.605 -1.603 0.496 1.00 0.00 H ATOM 726 2HZ LYS A 43 8.893 -0.129 0.289 1.00 0.00 H ATOM 727 3HZ LYS A 43 10.366 -0.238 1.024 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE heeh_baker_nods_heeh.3.4.2.2.bp_r5_pass_20150509085227_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 rama omega fa_dun p_aa_pp ref total weights 0.8 0.44 0.75 0.004 0.7 1 1.17 1.17 1.17 1.1 1 0.2 0.5 0.56 0.32 1 NA pose -162.519 14.851 87.3949 0.36521 -24.6242 0 -20.7902 -1.6241 -1.25314 -5.16446 0 -5.24643 1.81798 45.4882 -6.15653 -7.49999 -84.9605 SER:NtermProteinFull_1 -1.88885 0.13276 1.43086 0.00225 -0.31134 0 0 0 -0.25614 0 0 0 0.00338 0.2647 0 0.17658 -0.4458 LEU_2 -3.58632 0.34586 1.24165 0.0065 -0.07897 0 0 0 0 0 0 -0.1303 0.09624 0.20391 -0.12618 0.60233 -1.42528 GLU_3 -3.91931 0.3555 3.21356 0.0069 -1.54746 0 0 0 0 -0.32962 0 -0.17422 0.06618 2.40924 -0.10269 -1.55374 -1.57566 GLU_4 -4.10131 0.41075 2.9765 0.00872 -1.2101 0 0 0 -0.25614 -0.17304 0 -0.1919 0.01698 2.64127 -0.09607 -1.55374 -1.52808 ALA_5 -4.03065 0.35106 1.77101 0.00074 -0.17808 0 0 0 0 0 0 -0.17567 0.09555 0 -0.19431 0.59294 -1.76741 ILE_6 -5.05706 0.57035 1.95035 0.01984 -0.20366 0 0 0 0 0 0 0.00785 0.04821 0.07173 -0.11291 0.8318 -1.8735 ARG_7 -4.01491 0.1525 2.69067 0.00962 -1.09127 0 0 0 0 -0.32962 0 -0.21375 0.00341 1.65182 -0.08904 -0.14916 -1.37975 ARG_8 -4.88592 0.39241 3.58073 0.01061 -1.97434 0 0 0 0 -0.51856 0 -0.21384 0.17594 1.97959 -0.10357 -0.14916 -1.70609 ALA_9 -4.50815 0.44802 1.68871 0.00073 -0.21752 0 0 0 0 0 0 -0.11483 0.12442 0 -0.1517 0.59294 -2.13738 GLU_10 -4.32542 0.34454 2.70956 0.00709 -0.96445 0 0 0 0 -0.43651 0 -0.14521 0.0511 2.22442 -0.10674 -1.55374 -2.19537 GLU_11 -4.6007 0.43952 3.52385 0.00878 -1.96931 0 0 0 0 -0.46686 0 0.00828 0.00566 2.22467 -0.09146 -1.55374 -2.47134 ALA_12 -4.31462 0.5111 2.19777 0.00073 -0.4719 0 0 0 0 0 0 -0.10302 0.00021 0 -0.14731 0.59294 -1.73408 LEU_13 -4.28617 0.39491 1.84437 0.00898 -0.03414 0 0 0 0 0 0 -0.04771 0 0.39595 -0.11084 0.60233 -1.23231 ARG_14 -3.04013 0.22284 2.09755 0.00955 -0.82411 0 0 0 0 -0.43651 0 -0.22447 0.00072 1.56072 -0.08823 -0.14916 -0.87124 LYS_15 -2.69745 0.20769 1.86049 0.00316 -0.82594 0 0 0 0 -0.12135 0 -0.24008 0.01004 0.79954 -0.05927 -0.28737 -1.35055 GLY_16 -1.35359 0.20136 0.92705 0 -0.06872 0 0 0 0 0 0 -0.24402 0.00907 0 -0.80959 0.14053 -1.19791 GLN_17 -2.74298 0.29597 1.76831 0.01028 -0.09015 0 0 0 -0.27948 0 0 -0.18755 0.11195 2.20036 0.00693 -1.17797 -0.08435 THR_18 -1.82382 0.06373 1.16317 0.0084 -0.31009 0 0 0 -0.27948 0 0 -0.16637 0.00199 0.04167 0.02245 0.16454 -1.11382 PHE_19 -6.06578 0.52566 1.81631 0.02992 -0.50319 0 0 0 0 0 0 -0.17149 0.03634 2.4483 -0.15321 0.43057 -1.60657 GLU_20 -3.35808 0.24167 2.1084 0.00633 -1.2827 0 0 0 0 -0.41367 0 0.10194 0.01819 2.12061 -0.07295 -1.55374 -2.08399 TYR_21 -4.15792 0.53393 1.3951 0.02566 -0.3016 0 0 0 0 0 0 0.09712 0.06253 1.28888 -0.19889 0.1317 -1.12349 ALA_22 -1.72141 0.44128 0.51377 0.00223 0.03705 0 0 0 0 0 0 0.14816 0.13191 0 0.27896 0.59294 0.42489 GLY_23 -1.00075 0.2723 0.64257 0 0.09661 0 0 0 0 0 0 -0.41064 0.00018 0 -0.79598 0.14053 -1.05519 ILE_24 -3.99577 0.50515 1.563 0.0169 -0.23817 0 0 0 0 0 0 -0.22138 0.02962 0.20293 -0.37679 0.8318 -1.68271 ARG_25 -3.19697 0.15626 1.96552 0.01123 -1.23169 0 0 0 0 -0.41367 0 -0.05425 0.03757 1.49459 0.04129 -0.14916 -1.3393 VAL_26 -4.39471 0.31501 1.18705 0.01331 -0.32397 0 0 0 0 0 0 -0.18963 0.00598 0.03417 -0.24397 0.74484 -2.85191 THR_27 -1.47898 0.08359 0.77813 0.00399 0.109 0 0 0 0 0 0 -0.05697 0.0044 0.01783 -0.39664 0.16454 -0.77111 THR_28 -3.24468 0.26269 1.81202 0.01016 -0.6863 0 0 0 -0.09094 0 0 0.19243 0.10404 0.13713 -0.42966 0.16454 -1.76856 GLN_29 -3.32486 0.31314 2.15409 0.00691 -0.92962 0 0 0 -0.09094 -0.16058 0 -0.1592 0.065 2.08893 -0.1251 -1.17797 -1.3402 GLU_30 -3.1459 0.32522 2.05359 0.00761 -0.60684 0 0 0 0 0 0 -0.09076 0.00184 2.14387 -0.10247 -1.55374 -0.96759 ALA_31 -3.82341 0.27894 1.67675 0.00074 -0.06856 0 0 0 0 0 0 -0.19515 0.05631 0 -0.18964 0.59294 -1.67107 LEU_32 -5.50329 0.4911 2.23962 0.00945 -0.27995 0 0 0 0 0 0 -0.08087 2e-05 0.49453 -0.11936 0.60233 -2.1464 GLU_33 -4.65449 0.32264 3.49886 0.00491 -1.53728 0 0 0 0 -0.46457 0 -0.22982 0.01972 2.57999 -0.11746 -1.55374 -2.13125 LYS_34 -3.72996 0.21669 2.39123 0.0031 -0.70569 0 0 0 0 0 0 -0.18936 0.10399 0.84533 -0.04349 -0.28737 -1.39555 PHE_35 -7.04071 0.58839 1.94147 0.02617 -0.33639 0 0 0 0 0 0 -0.00346 0.0056 1.32869 -0.09399 0.43057 -3.15366 ARG_36 -5.87724 0.49896 4.09398 0.01377 -1.93928 0 0 0 0 -0.60196 0 -0.06773 0.01146 1.46313 -0.10201 -0.14916 -2.65608 LYS_37 -3.7927 0.38965 2.36596 0.00307 -0.24498 0 0 0 0 0 0 -0.14569 0.05347 0.91539 -0.04008 -0.28737 -0.78328 TRP_38 -6.53149 0.66077 2.28933 0.02744 -0.31091 0 0 0 0 0 0 -0.03997 0.12445 1.50317 -0.0391 0.92933 -1.38697 ALA_39 -4.67245 0.54547 1.80548 0.00074 -0.25872 0 0 0 0 0 0 -0.19838 0.00355 0 -0.16408 0.59294 -2.34544 GLU_40 -4.14956 0.35263 2.97978 0.00449 -0.69249 0 0 0 0 -0.29797 0 -0.252 0.0818 2.16245 -0.15413 -1.55374 -1.51875 LYS_41 -2.60721 0.22671 1.59175 0.00307 0.04407 0 0 0 0 0 0 -0.26467 0.03447 0.75463 -0.02914 -0.28737 -0.53369 GLN_42 -3.28067 0.30876 1.65678 0.00518 0.20928 0 0 0 0 0 0 -0.20784 0.0045 1.93832 -0.12812 -1.17797 -0.67177 LYS:CtermProteinFull_43 -2.59237 0.15352 2.23828 0.00596 -0.27032 0 0 0 0 0 0 0 0 0.85568 0 -0.28737 0.10338 #END_POSE_ENERGIES_TABLE heeh_baker_nods_heeh.3.4.2.2.bp_r5_pass_20150509085227_0001.pdb AlaCount 6 bb -0.0377611 buried_minus_exposed 3575.38 buried_np 5226.69 buried_np_per_res 121.551 buried_over_exposed 3.16516 cavity_volume 0 contact_all 272 contact_core_SASA 272 contact_core_SCN 272 degree 9.65116 degree_core_SASA 9.65116 degree_core_SCN 9.65116 exposed_hydrophobics 1651.31 holes 1.66056 mismatch_probability 0.312683 one_core_each 1 pack 0.656046 percent_core_SASA 0.0930016 percent_core_SCN 0.162753 res_count_core_SASA 4 res_count_core_SCN 7 ss_sc 0.774598 two_core_each 1 unsat_hbond 3
HEEH_rd2_0779.pdb
ATOM 1 N THR A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA THR A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C THR A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O THR A 1 1.275 2.381 0.234 1.00 0.00 O ATOM 5 CB THR A 1 2.012 -0.770 -1.213 1.00 0.00 C ATOM 6 OG1 THR A 1 3.431 -0.923 -1.078 1.00 0.00 O ATOM 7 CG2 THR A 1 1.707 -0.024 -2.503 1.00 0.00 C ATOM 8 1H THR A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 9 2H THR A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 10 3H THR A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 11 HA THR A 1 1.804 -0.509 0.900 1.00 0.00 H ATOM 12 HB THR A 1 1.557 -1.759 -1.255 1.00 0.00 H ATOM 13 HG1 THR A 1 3.653 -1.857 -1.069 1.00 0.00 H ATOM 14 1HG2 THR A 1 2.106 -0.583 -3.349 1.00 0.00 H ATOM 15 2HG2 THR A 1 0.629 0.084 -2.615 1.00 0.00 H ATOM 16 3HG2 THR A 1 2.169 0.962 -2.470 1.00 0.00 H ATOM 17 N LEU A 2 3.305 1.547 -0.263 1.00 0.00 N ATOM 18 CA LEU A 2 3.983 2.834 -0.175 1.00 0.00 C ATOM 19 C LEU A 2 3.577 3.751 -1.322 1.00 0.00 C ATOM 20 O LEU A 2 3.293 4.931 -1.115 1.00 0.00 O ATOM 21 CB LEU A 2 5.504 2.635 -0.185 1.00 0.00 C ATOM 22 CG LEU A 2 6.343 3.915 -0.094 1.00 0.00 C ATOM 23 CD1 LEU A 2 5.965 4.682 1.166 1.00 0.00 C ATOM 24 CD2 LEU A 2 7.821 3.555 -0.092 1.00 0.00 C ATOM 25 H LEU A 2 3.834 0.730 -0.532 1.00 0.00 H ATOM 26 HA LEU A 2 3.704 3.308 0.767 1.00 0.00 H ATOM 27 1HB LEU A 2 5.776 1.999 0.656 1.00 0.00 H ATOM 28 2HB LEU A 2 5.780 2.122 -1.106 1.00 0.00 H ATOM 29 HG LEU A 2 6.127 4.555 -0.950 1.00 0.00 H ATOM 30 1HD1 LEU A 2 6.562 5.592 1.231 1.00 0.00 H ATOM 31 2HD1 LEU A 2 4.908 4.944 1.129 1.00 0.00 H ATOM 32 3HD1 LEU A 2 6.155 4.061 2.041 1.00 0.00 H ATOM 33 1HD2 LEU A 2 8.418 4.465 -0.027 1.00 0.00 H ATOM 34 2HD2 LEU A 2 8.039 2.917 0.765 1.00 0.00 H ATOM 35 3HD2 LEU A 2 8.067 3.023 -1.011 1.00 0.00 H ATOM 36 N ASP A 3 3.550 3.201 -2.531 1.00 0.00 N ATOM 37 CA ASP A 3 3.114 3.949 -3.704 1.00 0.00 C ATOM 38 C ASP A 3 1.699 4.482 -3.522 1.00 0.00 C ATOM 39 O ASP A 3 1.389 5.601 -3.932 1.00 0.00 O ATOM 40 CB ASP A 3 3.179 3.071 -4.955 1.00 0.00 C ATOM 41 CG ASP A 3 4.604 2.806 -5.421 1.00 0.00 C ATOM 42 OD1 ASP A 3 5.478 3.554 -5.050 1.00 0.00 O ATOM 43 OD2 ASP A 3 4.806 1.859 -6.143 1.00 0.00 O ATOM 44 H ASP A 3 3.840 2.240 -2.640 1.00 0.00 H ATOM 45 HA ASP A 3 3.790 4.793 -3.846 1.00 0.00 H ATOM 46 1HB ASP A 3 2.694 2.115 -4.754 1.00 0.00 H ATOM 47 2HB ASP A 3 2.630 3.551 -5.766 1.00 0.00 H ATOM 48 N GLU A 4 0.843 3.675 -2.906 1.00 0.00 N ATOM 49 CA GLU A 4 -0.523 4.090 -2.608 1.00 0.00 C ATOM 50 C GLU A 4 -0.548 5.183 -1.547 1.00 0.00 C ATOM 51 O GLU A 4 -1.353 6.111 -1.617 1.00 0.00 O ATOM 52 CB GLU A 4 -1.354 2.893 -2.141 1.00 0.00 C ATOM 53 CG GLU A 4 -1.658 1.875 -3.231 1.00 0.00 C ATOM 54 CD GLU A 4 -2.330 0.637 -2.704 1.00 0.00 C ATOM 55 OE1 GLU A 4 -2.065 0.271 -1.584 1.00 0.00 O ATOM 56 OE2 GLU A 4 -3.109 0.056 -3.423 1.00 0.00 O ATOM 57 H GLU A 4 1.146 2.750 -2.637 1.00 0.00 H ATOM 58 HA GLU A 4 -0.973 4.479 -3.522 1.00 0.00 H ATOM 59 1HB GLU A 4 -0.829 2.376 -1.338 1.00 0.00 H ATOM 60 2HB GLU A 4 -2.304 3.245 -1.737 1.00 0.00 H ATOM 61 1HG GLU A 4 -2.307 2.337 -3.975 1.00 0.00 H ATOM 62 2HG GLU A 4 -0.728 1.596 -3.723 1.00 0.00 H ATOM 63 N ALA A 5 0.339 5.067 -0.565 1.00 0.00 N ATOM 64 CA ALA A 5 0.480 6.089 0.465 1.00 0.00 C ATOM 65 C ALA A 5 0.826 7.441 -0.145 1.00 0.00 C ATOM 66 O ALA A 5 0.285 8.471 0.257 1.00 0.00 O ATOM 67 CB ALA A 5 1.539 5.679 1.478 1.00 0.00 C ATOM 68 H ALA A 5 0.932 4.249 -0.531 1.00 0.00 H ATOM 69 HA ALA A 5 -0.468 6.178 0.997 1.00 0.00 H ATOM 70 1HB ALA A 5 1.633 6.452 2.240 1.00 0.00 H ATOM 71 2HB ALA A 5 1.249 4.739 1.948 1.00 0.00 H ATOM 72 3HB ALA A 5 2.495 5.551 0.972 1.00 0.00 H ATOM 73 N ARG A 6 1.731 7.432 -1.117 1.00 0.00 N ATOM 74 CA ARG A 6 2.099 8.647 -1.833 1.00 0.00 C ATOM 75 C ARG A 6 0.894 9.258 -2.538 1.00 0.00 C ATOM 76 O ARG A 6 0.691 10.472 -2.501 1.00 0.00 O ATOM 77 CB ARG A 6 3.188 8.358 -2.856 1.00 0.00 C ATOM 78 CG ARG A 6 3.730 9.581 -3.578 1.00 0.00 C ATOM 79 CD ARG A 6 4.854 9.232 -4.483 1.00 0.00 C ATOM 80 NE ARG A 6 4.446 8.299 -5.521 1.00 0.00 N ATOM 81 CZ ARG A 6 4.810 7.003 -5.571 1.00 0.00 C ATOM 82 NH1 ARG A 6 5.589 6.502 -4.637 1.00 0.00 N ATOM 83 NH2 ARG A 6 4.385 6.234 -6.558 1.00 0.00 N ATOM 84 H ARG A 6 2.176 6.560 -1.367 1.00 0.00 H ATOM 85 HA ARG A 6 2.486 9.369 -1.113 1.00 0.00 H ATOM 86 1HB ARG A 6 4.026 7.866 -2.365 1.00 0.00 H ATOM 87 2HB ARG A 6 2.804 7.672 -3.612 1.00 0.00 H ATOM 88 1HG ARG A 6 2.937 10.033 -4.175 1.00 0.00 H ATOM 89 2HG ARG A 6 4.090 10.305 -2.846 1.00 0.00 H ATOM 90 1HD ARG A 6 5.228 10.135 -4.964 1.00 0.00 H ATOM 91 2HD ARG A 6 5.655 8.771 -3.906 1.00 0.00 H ATOM 92 HE ARG A 6 3.846 8.647 -6.257 1.00 0.00 H ATOM 93 1HH1 ARG A 6 5.914 7.090 -3.882 1.00 0.00 H ATOM 94 2HH1 ARG A 6 5.861 5.531 -4.674 1.00 0.00 H ATOM 95 1HH2 ARG A 6 3.786 6.619 -7.276 1.00 0.00 H ATOM 96 2HH2 ARG A 6 4.657 5.264 -6.595 1.00 0.00 H ATOM 97 N GLU A 7 0.097 8.410 -3.178 1.00 0.00 N ATOM 98 CA GLU A 7 -1.144 8.849 -3.805 1.00 0.00 C ATOM 99 C GLU A 7 -2.070 9.506 -2.790 1.00 0.00 C ATOM 100 O GLU A 7 -2.664 10.550 -3.062 1.00 0.00 O ATOM 101 CB GLU A 7 -1.854 7.667 -4.468 1.00 0.00 C ATOM 102 CG GLU A 7 -3.177 8.020 -5.132 1.00 0.00 C ATOM 103 CD GLU A 7 -3.840 6.838 -5.782 1.00 0.00 C ATOM 104 OE1 GLU A 7 -3.157 5.888 -6.080 1.00 0.00 O ATOM 105 OE2 GLU A 7 -5.031 6.885 -5.980 1.00 0.00 O ATOM 106 H GLU A 7 0.358 7.435 -3.233 1.00 0.00 H ATOM 107 HA GLU A 7 -0.901 9.577 -4.580 1.00 0.00 H ATOM 108 1HB GLU A 7 -1.205 7.232 -5.228 1.00 0.00 H ATOM 109 2HB GLU A 7 -2.049 6.895 -3.723 1.00 0.00 H ATOM 110 1HG GLU A 7 -3.851 8.431 -4.380 1.00 0.00 H ATOM 111 2HG GLU A 7 -3.001 8.790 -5.882 1.00 0.00 H ATOM 112 N LEU A 8 -2.191 8.889 -1.619 1.00 0.00 N ATOM 113 CA LEU A 8 -3.065 9.400 -0.570 1.00 0.00 C ATOM 114 C LEU A 8 -2.622 10.783 -0.109 1.00 0.00 C ATOM 115 O LEU A 8 -3.451 11.641 0.195 1.00 0.00 O ATOM 116 CB LEU A 8 -3.079 8.436 0.623 1.00 0.00 C ATOM 117 CG LEU A 8 -3.784 7.095 0.387 1.00 0.00 C ATOM 118 CD1 LEU A 8 -3.563 6.186 1.589 1.00 0.00 C ATOM 119 CD2 LEU A 8 -5.267 7.336 0.149 1.00 0.00 C ATOM 120 H LEU A 8 -1.663 8.044 -1.452 1.00 0.00 H ATOM 121 HA LEU A 8 -4.078 9.471 -0.968 1.00 0.00 H ATOM 122 1HB LEU A 8 -2.050 8.224 0.910 1.00 0.00 H ATOM 123 2HB LEU A 8 -3.573 8.928 1.461 1.00 0.00 H ATOM 124 HG LEU A 8 -3.351 6.605 -0.485 1.00 0.00 H ATOM 125 1HD1 LEU A 8 -4.064 5.233 1.421 1.00 0.00 H ATOM 126 2HD1 LEU A 8 -2.495 6.015 1.725 1.00 0.00 H ATOM 127 3HD1 LEU A 8 -3.972 6.658 2.482 1.00 0.00 H ATOM 128 1HD2 LEU A 8 -5.768 6.382 -0.020 1.00 0.00 H ATOM 129 2HD2 LEU A 8 -5.701 7.824 1.021 1.00 0.00 H ATOM 130 3HD2 LEU A 8 -5.396 7.973 -0.726 1.00 0.00 H ATOM 131 N VAL A 9 -1.311 10.993 -0.060 1.00 0.00 N ATOM 132 CA VAL A 9 -0.757 12.301 0.267 1.00 0.00 C ATOM 133 C VAL A 9 -1.170 13.347 -0.761 1.00 0.00 C ATOM 134 O VAL A 9 -1.587 14.449 -0.406 1.00 0.00 O ATOM 135 CB VAL A 9 0.780 12.229 0.333 1.00 0.00 C ATOM 136 CG1 VAL A 9 1.375 13.626 0.436 1.00 0.00 C ATOM 137 CG2 VAL A 9 1.208 11.372 1.514 1.00 0.00 C ATOM 138 H VAL A 9 -0.682 10.227 -0.254 1.00 0.00 H ATOM 139 HA VAL A 9 -1.136 12.603 1.244 1.00 0.00 H ATOM 140 HB VAL A 9 1.154 11.788 -0.591 1.00 0.00 H ATOM 141 1HG1 VAL A 9 2.462 13.556 0.481 1.00 0.00 H ATOM 142 2HG1 VAL A 9 1.085 14.210 -0.437 1.00 0.00 H ATOM 143 3HG1 VAL A 9 1.005 14.113 1.338 1.00 0.00 H ATOM 144 1HG2 VAL A 9 2.296 11.325 1.554 1.00 0.00 H ATOM 145 2HG2 VAL A 9 0.829 11.810 2.438 1.00 0.00 H ATOM 146 3HG2 VAL A 9 0.805 10.365 1.398 1.00 0.00 H ATOM 147 N GLU A 10 -1.051 12.994 -2.037 1.00 0.00 N ATOM 148 CA GLU A 10 -1.492 13.868 -3.117 1.00 0.00 C ATOM 149 C GLU A 10 -2.974 14.196 -2.990 1.00 0.00 C ATOM 150 O GLU A 10 -3.379 15.350 -3.130 1.00 0.00 O ATOM 151 CB GLU A 10 -1.219 13.217 -4.475 1.00 0.00 C ATOM 152 CG GLU A 10 -1.659 14.049 -5.671 1.00 0.00 C ATOM 153 CD GLU A 10 -1.365 13.383 -6.987 1.00 0.00 C ATOM 154 OE1 GLU A 10 -0.686 12.385 -6.987 1.00 0.00 O ATOM 155 OE2 GLU A 10 -1.820 13.874 -7.993 1.00 0.00 O ATOM 156 H GLU A 10 -0.644 12.098 -2.264 1.00 0.00 H ATOM 157 HA GLU A 10 -0.923 14.797 -3.066 1.00 0.00 H ATOM 158 1HB GLU A 10 -0.151 13.023 -4.577 1.00 0.00 H ATOM 159 2HB GLU A 10 -1.732 12.257 -4.528 1.00 0.00 H ATOM 160 1HG GLU A 10 -2.731 14.229 -5.600 1.00 0.00 H ATOM 161 2HG GLU A 10 -1.153 15.013 -5.636 1.00 0.00 H ATOM 162 N ARG A 11 -3.780 13.174 -2.724 1.00 0.00 N ATOM 163 CA ARG A 11 -5.219 13.353 -2.568 1.00 0.00 C ATOM 164 C ARG A 11 -5.537 14.234 -1.367 1.00 0.00 C ATOM 165 O ARG A 11 -6.437 15.072 -1.420 1.00 0.00 O ATOM 166 CB ARG A 11 -5.911 12.008 -2.403 1.00 0.00 C ATOM 167 CG ARG A 11 -5.958 11.155 -3.661 1.00 0.00 C ATOM 168 CD ARG A 11 -6.648 9.862 -3.422 1.00 0.00 C ATOM 169 NE ARG A 11 -6.657 9.024 -4.611 1.00 0.00 N ATOM 170 CZ ARG A 11 -7.568 9.110 -5.600 1.00 0.00 C ATOM 171 NH1 ARG A 11 -8.535 9.998 -5.529 1.00 0.00 N ATOM 172 NH2 ARG A 11 -7.490 8.300 -6.642 1.00 0.00 N ATOM 173 H ARG A 11 -3.387 12.249 -2.627 1.00 0.00 H ATOM 174 HA ARG A 11 -5.607 13.833 -3.466 1.00 0.00 H ATOM 175 1HB ARG A 11 -5.405 11.430 -1.632 1.00 0.00 H ATOM 176 2HB ARG A 11 -6.938 12.165 -2.073 1.00 0.00 H ATOM 177 1HG ARG A 11 -6.495 11.691 -4.444 1.00 0.00 H ATOM 178 2HG ARG A 11 -4.942 10.945 -3.996 1.00 0.00 H ATOM 179 1HD ARG A 11 -6.139 9.319 -2.627 1.00 0.00 H ATOM 180 2HD ARG A 11 -7.681 10.049 -3.129 1.00 0.00 H ATOM 181 HE ARG A 11 -5.929 8.328 -4.701 1.00 0.00 H ATOM 182 1HH1 ARG A 11 -8.594 10.616 -4.732 1.00 0.00 H ATOM 183 2HH1 ARG A 11 -9.217 10.062 -6.270 1.00 0.00 H ATOM 184 1HH2 ARG A 11 -6.746 7.617 -6.697 1.00 0.00 H ATOM 185 2HH2 ARG A 11 -8.172 8.364 -7.383 1.00 0.00 H ATOM 186 N ALA A 12 -4.793 14.040 -0.283 1.00 0.00 N ATOM 187 CA ALA A 12 -4.965 14.847 0.919 1.00 0.00 C ATOM 188 C ALA A 12 -4.589 16.301 0.665 1.00 0.00 C ATOM 189 O ALA A 12 -5.224 17.217 1.187 1.00 0.00 O ATOM 190 CB ALA A 12 -4.136 14.279 2.062 1.00 0.00 C ATOM 191 H ALA A 12 -4.090 13.315 -0.292 1.00 0.00 H ATOM 192 HA ALA A 12 -6.013 14.804 1.218 1.00 0.00 H ATOM 193 1HB ALA A 12 -4.275 14.892 2.952 1.00 0.00 H ATOM 194 2HB ALA A 12 -4.456 13.258 2.271 1.00 0.00 H ATOM 195 3HB ALA A 12 -3.084 14.278 1.783 1.00 0.00 H ATOM 196 N LYS A 13 -3.552 16.507 -0.140 1.00 0.00 N ATOM 197 CA LYS A 13 -3.162 17.848 -0.560 1.00 0.00 C ATOM 198 C LYS A 13 -4.281 18.528 -1.338 1.00 0.00 C ATOM 199 O LYS A 13 -4.650 19.666 -1.046 1.00 0.00 O ATOM 200 CB LYS A 13 -1.889 17.795 -1.406 1.00 0.00 C ATOM 201 CG LYS A 13 -1.430 19.147 -1.937 1.00 0.00 C ATOM 202 CD LYS A 13 -0.152 19.016 -2.751 1.00 0.00 C ATOM 203 CE LYS A 13 0.291 20.360 -3.308 1.00 0.00 C ATOM 204 NZ LYS A 13 1.526 20.243 -4.131 1.00 0.00 N ATOM 205 H LYS A 13 -3.020 15.714 -0.469 1.00 0.00 H ATOM 206 HA LYS A 13 -2.944 18.440 0.330 1.00 0.00 H ATOM 207 1HB LYS A 13 -1.076 17.374 -0.815 1.00 0.00 H ATOM 208 2HB LYS A 13 -2.048 17.137 -2.261 1.00 0.00 H ATOM 209 1HG LYS A 13 -2.210 19.574 -2.567 1.00 0.00 H ATOM 210 2HG LYS A 13 -1.251 19.823 -1.102 1.00 0.00 H ATOM 211 1HD LYS A 13 0.642 18.613 -2.120 1.00 0.00 H ATOM 212 2HD LYS A 13 -0.317 18.327 -3.580 1.00 0.00 H ATOM 213 1HE LYS A 13 -0.503 20.778 -3.925 1.00 0.00 H ATOM 214 2HE LYS A 13 0.483 21.050 -2.486 1.00 0.00 H ATOM 215 1HZ LYS A 13 1.786 21.154 -4.480 1.00 0.00 H ATOM 216 2HZ LYS A 13 2.276 19.874 -3.563 1.00 0.00 H ATOM 217 3HZ LYS A 13 1.355 19.621 -4.908 1.00 0.00 H ATOM 218 N LYS A 14 -4.817 17.826 -2.330 1.00 0.00 N ATOM 219 CA LYS A 14 -5.849 18.385 -3.194 1.00 0.00 C ATOM 220 C LYS A 14 -7.159 18.572 -2.438 1.00 0.00 C ATOM 221 O LYS A 14 -7.864 19.562 -2.635 1.00 0.00 O ATOM 222 CB LYS A 14 -6.070 17.490 -4.414 1.00 0.00 C ATOM 223 CG LYS A 14 -4.911 17.477 -5.403 1.00 0.00 C ATOM 224 CD LYS A 14 -5.167 16.500 -6.540 1.00 0.00 C ATOM 225 CE LYS A 14 -4.007 16.481 -7.525 1.00 0.00 C ATOM 226 NZ LYS A 14 -4.200 15.461 -8.592 1.00 0.00 N ATOM 227 H LYS A 14 -4.502 16.880 -2.489 1.00 0.00 H ATOM 228 HA LYS A 14 -5.511 19.358 -3.553 1.00 0.00 H ATOM 229 1HB LYS A 14 -6.241 16.464 -4.086 1.00 0.00 H ATOM 230 2HB LYS A 14 -6.962 17.816 -4.949 1.00 0.00 H ATOM 231 1HG LYS A 14 -4.775 18.477 -5.817 1.00 0.00 H ATOM 232 2HG LYS A 14 -3.996 17.189 -4.886 1.00 0.00 H ATOM 233 1HD LYS A 14 -5.305 15.497 -6.135 1.00 0.00 H ATOM 234 2HD LYS A 14 -6.075 16.787 -7.070 1.00 0.00 H ATOM 235 1HE LYS A 14 -3.908 17.461 -7.989 1.00 0.00 H ATOM 236 2HE LYS A 14 -3.082 16.260 -6.993 1.00 0.00 H ATOM 237 1HZ LYS A 14 -3.411 15.480 -9.223 1.00 0.00 H ATOM 238 2HZ LYS A 14 -4.274 14.545 -8.174 1.00 0.00 H ATOM 239 3HZ LYS A 14 -5.045 15.666 -9.105 1.00 0.00 H ATOM 240 N GLU A 15 -7.478 17.616 -1.573 1.00 0.00 N ATOM 241 CA GLU A 15 -8.709 17.669 -0.792 1.00 0.00 C ATOM 242 C GLU A 15 -8.613 18.711 0.316 1.00 0.00 C ATOM 243 O GLU A 15 -9.580 19.416 0.602 1.00 0.00 O ATOM 244 CB GLU A 15 -9.018 16.297 -0.190 1.00 0.00 C ATOM 245 CG GLU A 15 -10.298 16.245 0.632 1.00 0.00 C ATOM 246 CD GLU A 15 -11.530 16.512 -0.187 1.00 0.00 C ATOM 247 OE1 GLU A 15 -11.474 16.347 -1.382 1.00 0.00 O ATOM 248 OE2 GLU A 15 -12.530 16.882 0.384 1.00 0.00 O ATOM 249 H GLU A 15 -6.853 16.832 -1.453 1.00 0.00 H ATOM 250 HA GLU A 15 -9.529 17.941 -1.457 1.00 0.00 H ATOM 251 1HB GLU A 15 -9.104 15.560 -0.989 1.00 0.00 H ATOM 252 2HB GLU A 15 -8.195 15.988 0.454 1.00 0.00 H ATOM 253 1HG GLU A 15 -10.385 15.259 1.088 1.00 0.00 H ATOM 254 2HG GLU A 15 -10.233 16.981 1.433 1.00 0.00 H ATOM 255 N GLY A 16 -7.442 18.802 0.936 1.00 0.00 N ATOM 256 CA GLY A 16 -7.249 19.679 2.085 1.00 0.00 C ATOM 257 C GLY A 16 -7.534 18.947 3.390 1.00 0.00 C ATOM 258 O GLY A 16 -8.241 19.458 4.258 1.00 0.00 O ATOM 259 H GLY A 16 -6.665 18.249 0.603 1.00 0.00 H ATOM 260 1HA GLY A 16 -6.226 20.053 2.089 1.00 0.00 H ATOM 261 2HA GLY A 16 -7.907 20.542 1.997 1.00 0.00 H ATOM 262 N THR A 17 -6.978 17.747 3.523 1.00 0.00 N ATOM 263 CA THR A 17 -7.215 16.919 4.700 1.00 0.00 C ATOM 264 C THR A 17 -5.955 16.164 5.104 1.00 0.00 C ATOM 265 O THR A 17 -4.847 16.531 4.714 1.00 0.00 O ATOM 266 CB THR A 17 -8.360 15.920 4.453 1.00 0.00 C ATOM 267 OG1 THR A 17 -8.683 15.247 5.677 1.00 0.00 O ATOM 268 CG2 THR A 17 -7.957 14.894 3.405 1.00 0.00 C ATOM 269 H THR A 17 -6.376 17.400 2.790 1.00 0.00 H ATOM 270 HA THR A 17 -7.514 17.567 5.524 1.00 0.00 H ATOM 271 HB THR A 17 -9.243 16.457 4.106 1.00 0.00 H ATOM 272 HG1 THR A 17 -9.636 15.160 5.752 1.00 0.00 H ATOM 273 1HG2 THR A 17 -8.779 14.197 3.243 1.00 0.00 H ATOM 274 2HG2 THR A 17 -7.722 15.402 2.470 1.00 0.00 H ATOM 275 3HG2 THR A 17 -7.080 14.347 3.750 1.00 0.00 H ATOM 276 N GLY A 18 -6.132 15.106 5.889 1.00 0.00 N ATOM 277 CA GLY A 18 -5.006 14.334 6.399 1.00 0.00 C ATOM 278 C GLY A 18 -4.878 13.001 5.672 1.00 0.00 C ATOM 279 O GLY A 18 -5.574 12.751 4.687 1.00 0.00 O ATOM 280 H GLY A 18 -7.071 14.831 6.139 1.00 0.00 H ATOM 281 1HA GLY A 18 -4.087 14.907 6.279 1.00 0.00 H ATOM 282 2HA GLY A 18 -5.138 14.159 7.466 1.00 0.00 H ATOM 283 N VAL A 19 -3.985 12.148 6.163 1.00 0.00 N ATOM 284 CA VAL A 19 -3.741 10.852 5.541 1.00 0.00 C ATOM 285 C VAL A 19 -3.856 9.724 6.558 1.00 0.00 C ATOM 286 O VAL A 19 -3.340 9.824 7.671 1.00 0.00 O ATOM 287 CB VAL A 19 -2.341 10.822 4.900 1.00 0.00 C ATOM 288 CG1 VAL A 19 -2.054 9.449 4.312 1.00 0.00 C ATOM 289 CG2 VAL A 19 -2.238 11.899 3.831 1.00 0.00 C ATOM 290 H VAL A 19 -3.462 12.405 6.987 1.00 0.00 H ATOM 291 HA VAL A 19 -4.487 10.697 4.761 1.00 0.00 H ATOM 292 HB VAL A 19 -1.594 11.003 5.673 1.00 0.00 H ATOM 293 1HG1 VAL A 19 -1.060 9.445 3.863 1.00 0.00 H ATOM 294 2HG1 VAL A 19 -2.098 8.698 5.101 1.00 0.00 H ATOM 295 3HG1 VAL A 19 -2.797 9.218 3.548 1.00 0.00 H ATOM 296 1HG2 VAL A 19 -1.245 11.872 3.383 1.00 0.00 H ATOM 297 2HG2 VAL A 19 -2.989 11.721 3.061 1.00 0.00 H ATOM 298 3HG2 VAL A 19 -2.405 12.877 4.282 1.00 0.00 H ATOM 299 N ASP A 20 -4.534 8.650 6.168 1.00 0.00 N ATOM 300 CA ASP A 20 -4.658 7.472 7.019 1.00 0.00 C ATOM 301 C ASP A 20 -4.200 6.215 6.290 1.00 0.00 C ATOM 302 O ASP A 20 -4.938 5.651 5.481 1.00 0.00 O ATOM 303 CB ASP A 20 -6.105 7.299 7.487 1.00 0.00 C ATOM 304 CG ASP A 20 -6.285 6.117 8.431 1.00 0.00 C ATOM 305 OD1 ASP A 20 -5.368 5.343 8.563 1.00 0.00 O ATOM 306 OD2 ASP A 20 -7.339 6.001 9.010 1.00 0.00 O ATOM 307 H ASP A 20 -4.975 8.649 5.260 1.00 0.00 H ATOM 308 HA ASP A 20 -4.031 7.614 7.900 1.00 0.00 H ATOM 309 1HB ASP A 20 -6.434 8.205 7.996 1.00 0.00 H ATOM 310 2HB ASP A 20 -6.753 7.156 6.622 1.00 0.00 H ATOM 311 N VAL A 21 -2.979 5.781 6.580 1.00 0.00 N ATOM 312 CA VAL A 21 -2.364 4.679 5.850 1.00 0.00 C ATOM 313 C VAL A 21 -1.414 3.890 6.742 1.00 0.00 C ATOM 314 O VAL A 21 -0.655 4.467 7.521 1.00 0.00 O ATOM 315 CB VAL A 21 -1.592 5.212 4.628 1.00 0.00 C ATOM 316 CG1 VAL A 21 -0.455 6.120 5.071 1.00 0.00 C ATOM 317 CG2 VAL A 21 -1.064 4.050 3.802 1.00 0.00 C ATOM 318 H VAL A 21 -2.463 6.226 7.326 1.00 0.00 H ATOM 319 HA VAL A 21 -3.152 4.011 5.502 1.00 0.00 H ATOM 320 HB VAL A 21 -2.266 5.815 4.020 1.00 0.00 H ATOM 321 1HG1 VAL A 21 0.080 6.488 4.195 1.00 0.00 H ATOM 322 2HG1 VAL A 21 -0.859 6.964 5.630 1.00 0.00 H ATOM 323 3HG1 VAL A 21 0.232 5.560 5.705 1.00 0.00 H ATOM 324 1HG2 VAL A 21 -0.521 4.434 2.939 1.00 0.00 H ATOM 325 2HG2 VAL A 21 -0.395 3.444 4.412 1.00 0.00 H ATOM 326 3HG2 VAL A 21 -1.899 3.437 3.461 1.00 0.00 H ATOM 327 N ASN A 22 -1.460 2.567 6.623 1.00 0.00 N ATOM 328 CA ASN A 22 -0.541 1.700 7.350 1.00 0.00 C ATOM 329 C ASN A 22 -0.730 1.836 8.856 1.00 0.00 C ATOM 330 O ASN A 22 0.204 1.628 9.630 1.00 0.00 O ATOM 331 CB ASN A 22 0.895 1.999 6.963 1.00 0.00 C ATOM 332 CG ASN A 22 1.817 0.840 7.223 1.00 0.00 C ATOM 333 OD1 ASN A 22 1.443 -0.322 7.029 1.00 0.00 O ATOM 334 ND2 ASN A 22 3.016 1.134 7.657 1.00 0.00 N ATOM 335 H ASN A 22 -2.150 2.152 6.013 1.00 0.00 H ATOM 336 HA ASN A 22 -0.763 0.664 7.089 1.00 0.00 H ATOM 337 1HB ASN A 22 0.941 2.255 5.904 1.00 0.00 H ATOM 338 2HB ASN A 22 1.251 2.864 7.524 1.00 0.00 H ATOM 339 1HD2 ASN A 22 3.673 0.403 7.847 1.00 0.00 H ATOM 340 2HD2 ASN A 22 3.276 2.088 7.800 1.00 0.00 H ATOM 341 N GLY A 23 -1.945 2.187 9.265 1.00 0.00 N ATOM 342 CA GLY A 23 -2.267 2.320 10.681 1.00 0.00 C ATOM 343 C GLY A 23 -1.775 3.651 11.235 1.00 0.00 C ATOM 344 O GLY A 23 -1.888 3.915 12.432 1.00 0.00 O ATOM 345 H GLY A 23 -2.663 2.366 8.578 1.00 0.00 H ATOM 346 1HA GLY A 23 -3.346 2.241 10.817 1.00 0.00 H ATOM 347 2HA GLY A 23 -1.812 1.500 11.236 1.00 0.00 H ATOM 348 N GLN A 24 -1.230 4.486 10.357 1.00 0.00 N ATOM 349 CA GLN A 24 -0.678 5.773 10.765 1.00 0.00 C ATOM 350 C GLN A 24 -1.655 6.906 10.482 1.00 0.00 C ATOM 351 O GLN A 24 -2.248 6.973 9.404 1.00 0.00 O ATOM 352 CB GLN A 24 0.650 6.037 10.050 1.00 0.00 C ATOM 353 CG GLN A 24 1.699 4.960 10.269 1.00 0.00 C ATOM 354 CD GLN A 24 2.123 4.852 11.722 1.00 0.00 C ATOM 355 OE1 GLN A 24 2.535 5.839 12.338 1.00 0.00 O ATOM 356 NE2 GLN A 24 2.025 3.651 12.278 1.00 0.00 N ATOM 357 H GLN A 24 -1.198 4.223 9.383 1.00 0.00 H ATOM 358 HA GLN A 24 -0.481 5.741 11.837 1.00 0.00 H ATOM 359 1HB GLN A 24 0.475 6.123 8.978 1.00 0.00 H ATOM 360 2HB GLN A 24 1.064 6.985 10.392 1.00 0.00 H ATOM 361 1HG GLN A 24 1.289 3.999 9.961 1.00 0.00 H ATOM 362 2HG GLN A 24 2.580 5.199 9.673 1.00 0.00 H ATOM 363 1HE2 GLN A 24 2.291 3.518 13.234 1.00 0.00 H ATOM 364 2HE2 GLN A 24 1.686 2.877 11.743 1.00 0.00 H ATOM 365 N ARG A 25 -1.820 7.796 11.455 1.00 0.00 N ATOM 366 CA ARG A 25 -2.728 8.928 11.312 1.00 0.00 C ATOM 367 C ARG A 25 -1.959 10.234 11.155 1.00 0.00 C ATOM 368 O ARG A 25 -1.204 10.631 12.043 1.00 0.00 O ATOM 369 CB ARG A 25 -3.652 9.029 12.517 1.00 0.00 C ATOM 370 CG ARG A 25 -4.668 10.157 12.450 1.00 0.00 C ATOM 371 CD ARG A 25 -5.654 10.074 13.558 1.00 0.00 C ATOM 372 NE ARG A 25 -5.034 10.298 14.854 1.00 0.00 N ATOM 373 CZ ARG A 25 -4.884 11.506 15.433 1.00 0.00 C ATOM 374 NH1 ARG A 25 -5.314 12.586 14.819 1.00 0.00 N ATOM 375 NH2 ARG A 25 -4.305 11.604 16.616 1.00 0.00 N ATOM 376 H ARG A 25 -1.304 7.685 12.315 1.00 0.00 H ATOM 377 HA ARG A 25 -3.338 8.773 10.421 1.00 0.00 H ATOM 378 1HB ARG A 25 -4.202 8.096 12.631 1.00 0.00 H ATOM 379 2HB ARG A 25 -3.058 9.172 13.420 1.00 0.00 H ATOM 380 1HG ARG A 25 -4.153 11.116 12.521 1.00 0.00 H ATOM 381 2HG ARG A 25 -5.210 10.105 11.505 1.00 0.00 H ATOM 382 1HD ARG A 25 -6.426 10.830 13.415 1.00 0.00 H ATOM 383 2HD ARG A 25 -6.111 9.085 13.565 1.00 0.00 H ATOM 384 HE ARG A 25 -4.690 9.490 15.357 1.00 0.00 H ATOM 385 1HH1 ARG A 25 -5.757 12.511 13.914 1.00 0.00 H ATOM 386 2HH1 ARG A 25 -5.202 13.491 15.253 1.00 0.00 H ATOM 387 1HH2 ARG A 25 -3.974 10.773 17.088 1.00 0.00 H ATOM 388 2HH2 ARG A 25 -4.193 12.509 17.050 1.00 0.00 H ATOM 389 N PHE A 26 -2.154 10.897 10.021 1.00 0.00 N ATOM 390 CA PHE A 26 -1.470 12.154 9.741 1.00 0.00 C ATOM 391 C PHE A 26 -2.461 13.300 9.592 1.00 0.00 C ATOM 392 O PHE A 26 -3.109 13.443 8.554 1.00 0.00 O ATOM 393 CB PHE A 26 -0.629 12.031 8.468 1.00 0.00 C ATOM 394 CG PHE A 26 0.408 10.946 8.529 1.00 0.00 C ATOM 395 CD1 PHE A 26 0.179 9.713 7.937 1.00 0.00 C ATOM 396 CD2 PHE A 26 1.615 11.156 9.179 1.00 0.00 C ATOM 397 CE1 PHE A 26 1.132 8.714 7.993 1.00 0.00 C ATOM 398 CE2 PHE A 26 2.570 10.160 9.235 1.00 0.00 C ATOM 399 CZ PHE A 26 2.328 8.937 8.641 1.00 0.00 C ATOM 400 H PHE A 26 -2.794 10.522 9.336 1.00 0.00 H ATOM 401 HA PHE A 26 -0.800 12.376 10.572 1.00 0.00 H ATOM 402 1HB PHE A 26 -1.281 11.831 7.619 1.00 0.00 H ATOM 403 2HB PHE A 26 -0.122 12.976 8.275 1.00 0.00 H ATOM 404 HD1 PHE A 26 -0.767 9.538 7.423 1.00 0.00 H ATOM 405 HD2 PHE A 26 1.806 12.121 9.649 1.00 0.00 H ATOM 406 HE1 PHE A 26 0.938 7.750 7.523 1.00 0.00 H ATOM 407 HE2 PHE A 26 3.515 10.337 9.749 1.00 0.00 H ATOM 408 HZ PHE A 26 3.079 8.150 8.687 1.00 0.00 H ATOM 409 N GLU A 27 -2.576 14.116 10.634 1.00 0.00 N ATOM 410 CA GLU A 27 -3.448 15.284 10.601 1.00 0.00 C ATOM 411 C GLU A 27 -2.992 16.282 9.544 1.00 0.00 C ATOM 412 O GLU A 27 -3.811 16.885 8.852 1.00 0.00 O ATOM 413 CB GLU A 27 -3.485 15.961 11.973 1.00 0.00 C ATOM 414 CG GLU A 27 -4.185 15.150 13.055 1.00 0.00 C ATOM 415 CD GLU A 27 -4.120 15.802 14.408 1.00 0.00 C ATOM 416 OE1 GLU A 27 -3.533 16.852 14.514 1.00 0.00 O ATOM 417 OE2 GLU A 27 -4.659 15.249 15.338 1.00 0.00 O ATOM 418 H GLU A 27 -2.045 13.921 11.472 1.00 0.00 H ATOM 419 HA GLU A 27 -4.459 14.954 10.358 1.00 0.00 H ATOM 420 1HB GLU A 27 -2.467 16.159 12.309 1.00 0.00 H ATOM 421 2HB GLU A 27 -3.996 16.920 11.892 1.00 0.00 H ATOM 422 1HG GLU A 27 -5.230 15.018 12.778 1.00 0.00 H ATOM 423 2HG GLU A 27 -3.725 14.164 13.110 1.00 0.00 H ATOM 424 N ASP A 28 -1.679 16.451 9.425 1.00 0.00 N ATOM 425 CA ASP A 28 -1.108 17.301 8.388 1.00 0.00 C ATOM 426 C ASP A 28 -0.511 16.469 7.260 1.00 0.00 C ATOM 427 O ASP A 28 0.457 15.736 7.462 1.00 0.00 O ATOM 428 CB ASP A 28 -0.033 18.218 8.977 1.00 0.00 C ATOM 429 CG ASP A 28 0.453 19.271 7.991 1.00 0.00 C ATOM 430 OD1 ASP A 28 0.291 19.072 6.810 1.00 0.00 O ATOM 431 OD2 ASP A 28 0.982 20.266 8.427 1.00 0.00 O ATOM 432 H ASP A 28 -1.062 15.979 10.070 1.00 0.00 H ATOM 433 HA ASP A 28 -1.901 17.928 7.978 1.00 0.00 H ATOM 434 1HB ASP A 28 -0.428 18.722 9.859 1.00 0.00 H ATOM 435 2HB ASP A 28 0.821 17.619 9.296 1.00 0.00 H ATOM 436 N TRP A 29 -1.095 16.586 6.072 1.00 0.00 N ATOM 437 CA TRP A 29 -0.701 15.757 4.940 1.00 0.00 C ATOM 438 C TRP A 29 0.764 15.973 4.583 1.00 0.00 C ATOM 439 O TRP A 29 1.383 15.137 3.924 1.00 0.00 O ATOM 440 CB TRP A 29 -1.577 16.064 3.723 1.00 0.00 C ATOM 441 CG TRP A 29 -1.444 17.474 3.231 1.00 0.00 C ATOM 442 CD1 TRP A 29 -2.235 18.532 3.565 1.00 0.00 C ATOM 443 CD2 TRP A 29 -0.454 17.989 2.308 1.00 0.00 C ATOM 444 NE1 TRP A 29 -1.809 19.664 2.916 1.00 0.00 N ATOM 445 CE2 TRP A 29 -0.719 19.351 2.144 1.00 0.00 C ATOM 446 CE3 TRP A 29 0.620 17.412 1.620 1.00 0.00 C ATOM 447 CZ2 TRP A 29 0.049 20.153 1.316 1.00 0.00 C ATOM 448 CZ3 TRP A 29 1.392 18.217 0.790 1.00 0.00 C ATOM 449 CH2 TRP A 29 1.113 19.552 0.643 1.00 0.00 C ATOM 450 H TRP A 29 -1.832 17.266 5.951 1.00 0.00 H ATOM 451 HA TRP A 29 -0.844 14.710 5.210 1.00 0.00 H ATOM 452 1HB TRP A 29 -1.316 15.390 2.907 1.00 0.00 H ATOM 453 2HB TRP A 29 -2.622 15.886 3.974 1.00 0.00 H ATOM 454 HD1 TRP A 29 -3.082 18.485 4.247 1.00 0.00 H ATOM 455 HE1 TRP A 29 -2.229 20.579 2.993 1.00 0.00 H ATOM 456 HE3 TRP A 29 0.848 16.353 1.735 1.00 0.00 H ATOM 457 HZ2 TRP A 29 -0.156 21.216 1.185 1.00 0.00 H ATOM 458 HZ3 TRP A 29 2.226 17.760 0.257 1.00 0.00 H ATOM 459 HH2 TRP A 29 1.739 20.155 -0.016 1.00 0.00 H ATOM 460 N ARG A 30 1.314 17.101 5.021 1.00 0.00 N ATOM 461 CA ARG A 30 2.715 17.418 4.768 1.00 0.00 C ATOM 462 C ARG A 30 3.638 16.534 5.597 1.00 0.00 C ATOM 463 O ARG A 30 4.766 16.249 5.195 1.00 0.00 O ATOM 464 CB ARG A 30 2.998 18.879 5.085 1.00 0.00 C ATOM 465 CG ARG A 30 2.310 19.877 4.166 1.00 0.00 C ATOM 466 CD ARG A 30 2.605 21.279 4.559 1.00 0.00 C ATOM 467 NE ARG A 30 2.090 21.591 5.883 1.00 0.00 N ATOM 468 CZ ARG A 30 2.269 22.767 6.516 1.00 0.00 C ATOM 469 NH1 ARG A 30 2.951 23.729 5.935 1.00 0.00 N ATOM 470 NH2 ARG A 30 1.759 22.953 7.721 1.00 0.00 N ATOM 471 H ARG A 30 0.748 17.754 5.542 1.00 0.00 H ATOM 472 HA ARG A 30 2.923 17.247 3.712 1.00 0.00 H ATOM 473 1HB ARG A 30 2.683 19.098 6.104 1.00 0.00 H ATOM 474 2HB ARG A 30 4.071 19.063 5.027 1.00 0.00 H ATOM 475 1HG ARG A 30 2.655 19.728 3.143 1.00 0.00 H ATOM 476 2HG ARG A 30 1.231 19.728 4.211 1.00 0.00 H ATOM 477 1HD ARG A 30 3.683 21.435 4.568 1.00 0.00 H ATOM 478 2HD ARG A 30 2.145 21.961 3.845 1.00 0.00 H ATOM 479 HE ARG A 30 1.560 20.875 6.362 1.00 0.00 H ATOM 480 1HH1 ARG A 30 3.340 23.587 5.013 1.00 0.00 H ATOM 481 2HH1 ARG A 30 3.085 24.610 6.409 1.00 0.00 H ATOM 482 1HH2 ARG A 30 1.235 22.213 8.168 1.00 0.00 H ATOM 483 2HH2 ARG A 30 1.894 23.833 8.195 1.00 0.00 H ATOM 484 N GLU A 31 3.153 16.104 6.757 1.00 0.00 N ATOM 485 CA GLU A 31 3.873 15.137 7.577 1.00 0.00 C ATOM 486 C GLU A 31 3.757 13.732 7.002 1.00 0.00 C ATOM 487 O GLU A 31 4.687 12.931 7.102 1.00 0.00 O ATOM 488 CB GLU A 31 3.343 15.157 9.013 1.00 0.00 C ATOM 489 CG GLU A 31 3.655 16.433 9.781 1.00 0.00 C ATOM 490 CD GLU A 31 5.130 16.690 9.915 1.00 0.00 C ATOM 491 OE1 GLU A 31 5.857 15.756 10.156 1.00 0.00 O ATOM 492 OE2 GLU A 31 5.531 17.821 9.776 1.00 0.00 O ATOM 493 H GLU A 31 2.262 16.455 7.078 1.00 0.00 H ATOM 494 HA GLU A 31 4.926 15.420 7.601 1.00 0.00 H ATOM 495 1HB GLU A 31 2.260 15.029 9.003 1.00 0.00 H ATOM 496 2HB GLU A 31 3.767 14.320 9.569 1.00 0.00 H ATOM 497 1HG GLU A 31 3.197 17.277 9.265 1.00 0.00 H ATOM 498 2HG GLU A 31 3.211 16.365 10.773 1.00 0.00 H ATOM 499 N ALA A 32 2.610 13.437 6.400 1.00 0.00 N ATOM 500 CA ALA A 32 2.436 12.200 5.648 1.00 0.00 C ATOM 501 C ALA A 32 3.397 12.133 4.468 1.00 0.00 C ATOM 502 O ALA A 32 3.994 11.090 4.201 1.00 0.00 O ATOM 503 CB ALA A 32 0.998 12.071 5.167 1.00 0.00 C ATOM 504 H ALA A 32 1.839 14.086 6.464 1.00 0.00 H ATOM 505 HA ALA A 32 2.638 11.359 6.312 1.00 0.00 H ATOM 506 1HB ALA A 32 0.883 11.143 4.607 1.00 0.00 H ATOM 507 2HB ALA A 32 0.326 12.062 6.025 1.00 0.00 H ATOM 508 3HB ALA A 32 0.752 12.915 4.524 1.00 0.00 H ATOM 509 N GLU A 33 3.541 13.250 3.764 1.00 0.00 N ATOM 510 CA GLU A 33 4.501 13.349 2.672 1.00 0.00 C ATOM 511 C GLU A 33 5.908 13.003 3.142 1.00 0.00 C ATOM 512 O GLU A 33 6.592 12.181 2.532 1.00 0.00 O ATOM 513 CB GLU A 33 4.485 14.757 2.073 1.00 0.00 C ATOM 514 CG GLU A 33 5.439 14.954 0.903 1.00 0.00 C ATOM 515 CD GLU A 33 5.446 16.366 0.385 1.00 0.00 C ATOM 516 OE1 GLU A 33 4.603 17.131 0.789 1.00 0.00 O ATOM 517 OE2 GLU A 33 6.295 16.679 -0.416 1.00 0.00 O ATOM 518 H GLU A 33 2.971 14.052 3.992 1.00 0.00 H ATOM 519 HA GLU A 33 4.211 12.646 1.891 1.00 0.00 H ATOM 520 1HB GLU A 33 3.479 14.995 1.728 1.00 0.00 H ATOM 521 2HB GLU A 33 4.747 15.483 2.843 1.00 0.00 H ATOM 522 1HG GLU A 33 6.447 14.691 1.222 1.00 0.00 H ATOM 523 2HG GLU A 33 5.154 14.278 0.098 1.00 0.00 H ATOM 524 N ARG A 34 6.335 13.635 4.230 1.00 0.00 N ATOM 525 CA ARG A 34 7.639 13.352 4.818 1.00 0.00 C ATOM 526 C ARG A 34 7.789 11.870 5.137 1.00 0.00 C ATOM 527 O ARG A 34 8.810 11.258 4.821 1.00 0.00 O ATOM 528 CB ARG A 34 7.840 14.164 6.090 1.00 0.00 C ATOM 529 CG ARG A 34 9.149 13.900 6.817 1.00 0.00 C ATOM 530 CD ARG A 34 9.277 14.735 8.038 1.00 0.00 C ATOM 531 NE ARG A 34 8.193 14.492 8.977 1.00 0.00 N ATOM 532 CZ ARG A 34 8.106 13.418 9.785 1.00 0.00 C ATOM 533 NH1 ARG A 34 9.044 12.497 9.757 1.00 0.00 N ATOM 534 NH2 ARG A 34 7.078 13.289 10.605 1.00 0.00 N ATOM 535 H ARG A 34 5.742 14.330 4.660 1.00 0.00 H ATOM 536 HA ARG A 34 8.411 13.636 4.102 1.00 0.00 H ATOM 537 1HB ARG A 34 7.803 15.226 5.852 1.00 0.00 H ATOM 538 2HB ARG A 34 7.028 13.956 6.786 1.00 0.00 H ATOM 539 1HG ARG A 34 9.196 12.851 7.112 1.00 0.00 H ATOM 540 2HG ARG A 34 9.985 14.129 6.155 1.00 0.00 H ATOM 541 1HD ARG A 34 10.218 14.507 8.538 1.00 0.00 H ATOM 542 2HD ARG A 34 9.259 15.788 7.762 1.00 0.00 H ATOM 543 HE ARG A 34 7.452 15.179 9.027 1.00 0.00 H ATOM 544 1HH1 ARG A 34 9.830 12.596 9.130 1.00 0.00 H ATOM 545 2HH1 ARG A 34 8.980 11.692 10.362 1.00 0.00 H ATOM 546 1HH2 ARG A 34 6.357 13.997 10.626 1.00 0.00 H ATOM 547 2HH2 ARG A 34 7.013 12.484 11.210 1.00 0.00 H ATOM 548 N TRP A 35 6.767 11.298 5.764 1.00 0.00 N ATOM 549 CA TRP A 35 6.784 9.886 6.126 1.00 0.00 C ATOM 550 C TRP A 35 6.969 9.004 4.898 1.00 0.00 C ATOM 551 O TRP A 35 7.789 8.086 4.899 1.00 0.00 O ATOM 552 CB TRP A 35 5.487 9.504 6.842 1.00 0.00 C ATOM 553 CG TRP A 35 5.411 8.052 7.208 1.00 0.00 C ATOM 554 CD1 TRP A 35 6.027 7.444 8.260 1.00 0.00 C ATOM 555 CD2 TRP A 35 4.671 7.014 6.521 1.00 0.00 C ATOM 556 NE1 TRP A 35 5.725 6.104 8.275 1.00 0.00 N ATOM 557 CE2 TRP A 35 4.895 5.824 7.219 1.00 0.00 C ATOM 558 CE3 TRP A 35 3.849 6.999 5.388 1.00 0.00 C ATOM 559 CZ2 TRP A 35 4.328 4.623 6.823 1.00 0.00 C ATOM 560 CZ3 TRP A 35 3.279 5.795 4.991 1.00 0.00 C ATOM 561 CH2 TRP A 35 3.513 4.638 5.691 1.00 0.00 C ATOM 562 H TRP A 35 5.958 11.856 5.995 1.00 0.00 H ATOM 563 HA TRP A 35 7.617 9.714 6.809 1.00 0.00 H ATOM 564 1HB TRP A 35 5.387 10.093 7.754 1.00 0.00 H ATOM 565 2HB TRP A 35 4.636 9.741 6.204 1.00 0.00 H ATOM 566 HD1 TRP A 35 6.666 7.947 8.984 1.00 0.00 H ATOM 567 HE1 TRP A 35 6.059 5.434 8.952 1.00 0.00 H ATOM 568 HE3 TRP A 35 3.658 7.915 4.830 1.00 0.00 H ATOM 569 HZ2 TRP A 35 4.502 3.694 7.365 1.00 0.00 H ATOM 570 HZ3 TRP A 35 2.641 5.792 4.107 1.00 0.00 H ATOM 571 HH2 TRP A 35 3.050 3.711 5.352 1.00 0.00 H ATOM 572 N VAL A 36 6.203 9.288 3.851 1.00 0.00 N ATOM 573 CA VAL A 36 6.306 8.543 2.602 1.00 0.00 C ATOM 574 C VAL A 36 7.704 8.654 2.008 1.00 0.00 C ATOM 575 O VAL A 36 8.289 7.658 1.582 1.00 0.00 O ATOM 576 CB VAL A 36 5.276 9.065 1.582 1.00 0.00 C ATOM 577 CG1 VAL A 36 5.552 8.487 0.202 1.00 0.00 C ATOM 578 CG2 VAL A 36 3.869 8.715 2.042 1.00 0.00 C ATOM 579 H VAL A 36 5.532 10.040 3.922 1.00 0.00 H ATOM 580 HA VAL A 36 6.095 7.493 2.806 1.00 0.00 H ATOM 581 HB VAL A 36 5.373 10.148 1.502 1.00 0.00 H ATOM 582 1HG1 VAL A 36 4.814 8.866 -0.506 1.00 0.00 H ATOM 583 2HG1 VAL A 36 6.550 8.780 -0.122 1.00 0.00 H ATOM 584 3HG1 VAL A 36 5.488 7.399 0.244 1.00 0.00 H ATOM 585 1HG2 VAL A 36 3.146 9.087 1.317 1.00 0.00 H ATOM 586 2HG2 VAL A 36 3.773 7.632 2.128 1.00 0.00 H ATOM 587 3HG2 VAL A 36 3.678 9.173 3.013 1.00 0.00 H ATOM 588 N ARG A 37 8.236 9.871 1.983 1.00 0.00 N ATOM 589 CA ARG A 37 9.567 10.115 1.440 1.00 0.00 C ATOM 590 C ARG A 37 10.628 9.347 2.218 1.00 0.00 C ATOM 591 O ARG A 37 11.558 8.791 1.634 1.00 0.00 O ATOM 592 CB ARG A 37 9.895 11.600 1.471 1.00 0.00 C ATOM 593 CG ARG A 37 9.136 12.444 0.460 1.00 0.00 C ATOM 594 CD ARG A 37 9.548 13.870 0.515 1.00 0.00 C ATOM 595 NE ARG A 37 8.761 14.698 -0.385 1.00 0.00 N ATOM 596 CZ ARG A 37 8.998 14.833 -1.704 1.00 0.00 C ATOM 597 NH1 ARG A 37 10.001 14.190 -2.261 1.00 0.00 N ATOM 598 NH2 ARG A 37 8.223 15.611 -2.439 1.00 0.00 N ATOM 599 H ARG A 37 7.705 10.648 2.349 1.00 0.00 H ATOM 600 HA ARG A 37 9.584 9.780 0.402 1.00 0.00 H ATOM 601 1HB ARG A 37 9.679 11.999 2.461 1.00 0.00 H ATOM 602 2HB ARG A 37 10.960 11.742 1.287 1.00 0.00 H ATOM 603 1HG ARG A 37 9.331 12.070 -0.546 1.00 0.00 H ATOM 604 2HG ARG A 37 8.067 12.388 0.667 1.00 0.00 H ATOM 605 1HD ARG A 37 9.415 14.248 1.529 1.00 0.00 H ATOM 606 2HD ARG A 37 10.596 13.958 0.230 1.00 0.00 H ATOM 607 HE ARG A 37 7.981 15.208 0.007 1.00 0.00 H ATOM 608 1HH1 ARG A 37 10.594 13.595 -1.699 1.00 0.00 H ATOM 609 2HH1 ARG A 37 10.179 14.291 -3.250 1.00 0.00 H ATOM 610 1HH2 ARG A 37 7.452 16.105 -2.011 1.00 0.00 H ATOM 611 2HH2 ARG A 37 8.401 15.712 -3.427 1.00 0.00 H ATOM 612 N GLU A 38 10.483 9.321 3.538 1.00 0.00 N ATOM 613 CA GLU A 38 11.401 8.580 4.395 1.00 0.00 C ATOM 614 C GLU A 38 11.319 7.083 4.126 1.00 0.00 C ATOM 615 O GLU A 38 12.333 6.385 4.135 1.00 0.00 O ATOM 616 CB GLU A 38 11.099 8.861 5.869 1.00 0.00 C ATOM 617 CG GLU A 38 11.463 10.265 6.329 1.00 0.00 C ATOM 618 CD GLU A 38 10.996 10.562 7.727 1.00 0.00 C ATOM 619 OE1 GLU A 38 10.383 9.709 8.322 1.00 0.00 O ATOM 620 OE2 GLU A 38 11.254 11.644 8.200 1.00 0.00 O ATOM 621 H GLU A 38 9.717 9.827 3.959 1.00 0.00 H ATOM 622 HA GLU A 38 12.417 8.918 4.187 1.00 0.00 H ATOM 623 1HB GLU A 38 10.035 8.713 6.057 1.00 0.00 H ATOM 624 2HB GLU A 38 11.643 8.152 6.493 1.00 0.00 H ATOM 625 1HG GLU A 38 12.546 10.380 6.288 1.00 0.00 H ATOM 626 2HG GLU A 38 11.023 10.987 5.643 1.00 0.00 H ATOM 627 N GLN A 39 10.106 6.595 3.888 1.00 0.00 N ATOM 628 CA GLN A 39 9.897 5.190 3.559 1.00 0.00 C ATOM 629 C GLN A 39 10.446 4.860 2.177 1.00 0.00 C ATOM 630 O GLN A 39 10.933 3.755 1.940 1.00 0.00 O ATOM 631 CB GLN A 39 8.407 4.841 3.627 1.00 0.00 C ATOM 632 CG GLN A 39 7.827 4.856 5.030 1.00 0.00 C ATOM 633 CD GLN A 39 8.479 3.830 5.937 1.00 0.00 C ATOM 634 OE1 GLN A 39 8.686 2.678 5.546 1.00 0.00 O ATOM 635 NE2 GLN A 39 8.806 4.241 7.157 1.00 0.00 N ATOM 636 H GLN A 39 9.309 7.213 3.936 1.00 0.00 H ATOM 637 HA GLN A 39 10.418 4.580 4.298 1.00 0.00 H ATOM 638 1HB GLN A 39 7.840 5.546 3.020 1.00 0.00 H ATOM 639 2HB GLN A 39 8.248 3.847 3.208 1.00 0.00 H ATOM 640 1HG GLN A 39 7.982 5.844 5.465 1.00 0.00 H ATOM 641 2HG GLN A 39 6.761 4.636 4.974 1.00 0.00 H ATOM 642 1HE2 GLN A 39 9.239 3.608 7.800 1.00 0.00 H ATOM 643 2HE2 GLN A 39 8.620 5.184 7.433 1.00 0.00 H ATOM 644 N GLU A 40 10.365 5.826 1.268 1.00 0.00 N ATOM 645 CA GLU A 40 10.950 5.679 -0.060 1.00 0.00 C ATOM 646 C GLU A 40 12.471 5.618 0.013 1.00 0.00 C ATOM 647 O GLU A 40 13.110 4.897 -0.754 1.00 0.00 O ATOM 648 CB GLU A 40 10.519 6.836 -0.964 1.00 0.00 C ATOM 649 CG GLU A 40 9.063 6.781 -1.403 1.00 0.00 C ATOM 650 CD GLU A 40 8.641 7.996 -2.182 1.00 0.00 C ATOM 651 OE1 GLU A 40 9.346 8.976 -2.146 1.00 0.00 O ATOM 652 OE2 GLU A 40 7.612 7.944 -2.814 1.00 0.00 O ATOM 653 H GLU A 40 9.886 6.683 1.502 1.00 0.00 H ATOM 654 HA GLU A 40 10.584 4.751 -0.499 1.00 0.00 H ATOM 655 1HB GLU A 40 10.676 7.782 -0.444 1.00 0.00 H ATOM 656 2HB GLU A 40 11.139 6.848 -1.860 1.00 0.00 H ATOM 657 1HG GLU A 40 8.915 5.897 -2.023 1.00 0.00 H ATOM 658 2HG GLU A 40 8.431 6.683 -0.522 1.00 0.00 H ATOM 659 N LYS A 41 13.045 6.379 0.938 1.00 0.00 N ATOM 660 CA LYS A 41 14.478 6.314 1.202 1.00 0.00 C ATOM 661 C LYS A 41 14.866 4.971 1.806 1.00 0.00 C ATOM 662 O LYS A 41 15.937 4.437 1.518 1.00 0.00 O ATOM 663 CB LYS A 41 14.903 7.452 2.131 1.00 0.00 C ATOM 664 CG LYS A 41 14.870 8.833 1.491 1.00 0.00 C ATOM 665 CD LYS A 41 15.256 9.915 2.489 1.00 0.00 C ATOM 666 CE LYS A 41 15.211 11.297 1.854 1.00 0.00 C ATOM 667 NZ LYS A 41 15.569 12.367 2.824 1.00 0.00 N ATOM 668 H LYS A 41 12.475 7.019 1.472 1.00 0.00 H ATOM 669 HA LYS A 41 15.009 6.440 0.258 1.00 0.00 H ATOM 670 1HB LYS A 41 14.249 7.473 3.004 1.00 0.00 H ATOM 671 2HB LYS A 41 15.918 7.272 2.486 1.00 0.00 H ATOM 672 1HG LYS A 41 15.565 8.862 0.651 1.00 0.00 H ATOM 673 2HG LYS A 41 13.867 9.037 1.117 1.00 0.00 H ATOM 674 1HD LYS A 41 14.568 9.891 3.336 1.00 0.00 H ATOM 675 2HD LYS A 41 16.264 9.727 2.857 1.00 0.00 H ATOM 676 1HE LYS A 41 15.907 11.335 1.017 1.00 0.00 H ATOM 677 2HE LYS A 41 14.209 11.490 1.473 1.00 0.00 H ATOM 678 1HZ LYS A 41 15.527 13.266 2.365 1.00 0.00 H ATOM 679 2HZ LYS A 41 14.918 12.353 3.597 1.00 0.00 H ATOM 680 3HZ LYS A 41 16.505 12.209 3.170 1.00 0.00 H ATOM 681 N ASN A 42 13.990 4.430 2.645 1.00 0.00 N ATOM 682 CA ASN A 42 14.204 3.112 3.230 1.00 0.00 C ATOM 683 C ASN A 42 14.025 2.012 2.191 1.00 0.00 C ATOM 684 O ASN A 42 14.670 0.966 2.263 1.00 0.00 O ATOM 685 CB ASN A 42 13.270 2.892 4.406 1.00 0.00 C ATOM 686 CG ASN A 42 13.656 3.705 5.611 1.00 0.00 C ATOM 687 OD1 ASN A 42 14.812 4.120 5.750 1.00 0.00 O ATOM 688 ND2 ASN A 42 12.710 3.942 6.483 1.00 0.00 N ATOM 689 H ASN A 42 13.155 4.945 2.884 1.00 0.00 H ATOM 690 HA ASN A 42 15.222 3.065 3.617 1.00 0.00 H ATOM 691 1HB ASN A 42 12.251 3.154 4.117 1.00 0.00 H ATOM 692 2HB ASN A 42 13.271 1.837 4.680 1.00 0.00 H ATOM 693 1HD2 ASN A 42 12.909 4.478 7.304 1.00 0.00 H ATOM 694 2HD2 ASN A 42 11.788 3.586 6.330 1.00 0.00 H ATOM 695 N LYS A 43 13.145 2.255 1.226 1.00 0.00 N ATOM 696 CA LYS A 43 12.899 1.298 0.154 1.00 0.00 C ATOM 697 C LYS A 43 14.136 1.116 -0.716 1.00 0.00 C ATOM 698 O LYS A 43 14.939 2.036 -0.871 1.00 0.00 O ATOM 699 OXT LYS A 43 14.337 0.065 -1.261 1.00 0.00 O ATOM 700 CB LYS A 43 11.714 1.745 -0.703 1.00 0.00 C ATOM 701 CG LYS A 43 11.332 0.769 -1.808 1.00 0.00 C ATOM 702 CD LYS A 43 10.116 1.257 -2.580 1.00 0.00 C ATOM 703 CE LYS A 43 9.749 0.295 -3.701 1.00 0.00 C ATOM 704 NZ LYS A 43 8.575 0.772 -4.481 1.00 0.00 N ATOM 705 H LYS A 43 12.633 3.126 1.234 1.00 0.00 H ATOM 706 HA LYS A 43 12.641 0.337 0.601 1.00 0.00 H ATOM 707 1HB LYS A 43 10.840 1.890 -0.068 1.00 0.00 H ATOM 708 2HB LYS A 43 11.943 2.704 -1.168 1.00 0.00 H ATOM 709 1HG LYS A 43 12.169 0.655 -2.498 1.00 0.00 H ATOM 710 2HG LYS A 43 11.109 -0.204 -1.372 1.00 0.00 H ATOM 711 1HD LYS A 43 9.268 1.352 -1.902 1.00 0.00 H ATOM 712 2HD LYS A 43 10.327 2.236 -3.010 1.00 0.00 H ATOM 713 1HE LYS A 43 10.596 0.181 -4.375 1.00 0.00 H ATOM 714 2HE LYS A 43 9.515 -0.683 -3.279 1.00 0.00 H ATOM 715 1HZ LYS A 43 8.364 0.107 -5.212 1.00 0.00 H ATOM 716 2HZ LYS A 43 7.777 0.863 -3.868 1.00 0.00 H ATOM 717 3HZ LYS A 43 8.786 1.669 -4.894 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE heeh_nods_heeh.3.3.2.2.bp_r2_pass_20150509141537_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 rama omega fa_dun p_aa_pp ref total weights 0.8 0.44 0.75 0.004 0.7 1 1.17 1.17 1.17 1.1 1 0.2 0.5 0.56 0.32 1 NA pose -164.227 16.206 93.7952 0.38517 -24.9696 0 -21.3118 -3.46294 -1.22597 -5.79452 0 -4.78835 3.08475 51.61 -6.54407 -15.1257 -82.3684 THR:NtermProteinFull_1 -2.68736 0.25263 2.20378 0.0106 -1.46896 0 0 0 -0.23684 0 0 0 0.16115 1.09869 0 0.16454 -0.50176 LEU_2 -3.99203 0.59776 1.61366 0.00975 -0.67843 0 0 0 -0.10697 0 0 -0.05132 0.04937 0.53501 -0.10302 0.60233 -1.5239 ASP_3 -3.45201 0.20574 2.8356 0.00336 -0.9481 0 0 0 0 -0.27912 0 -0.09685 0.05001 1.31341 0.03309 -1.28682 -1.62168 GLU_4 -3.85423 0.50139 2.94282 0.00406 -0.83178 0 0 0 -0.12987 0 0 -0.23939 0.08298 2.33383 -0.15319 -1.55374 -0.89712 ALA_5 -4.12264 0.53042 1.70592 0.00073 -0.14404 0 0 0 0 0 0 -0.14529 0.05535 0 -0.17814 0.59294 -1.70474 ARG_6 -4.98258 0.41471 3.64132 0.01819 -1.41725 0 0 0 0 -0.48959 0 -0.15792 0.11619 2.09641 -0.09164 -0.14916 -1.00132 GLU_7 -4.19262 0.37122 2.96729 0.00731 -1.1268 0 0 0 0 -0.50166 0 -0.17071 0.00676 2.42958 -0.09386 -1.55374 -1.85723 LEU_8 -4.4986 0.35826 1.98816 0.00704 -0.29536 0 0 0 0 0 0 -0.11571 0.1092 0.17769 -0.11953 0.60233 -1.78653 VAL_9 -5.14458 0.58398 2.07943 0.01627 -0.25244 0 0 0 0 0 0 0.01036 0.08081 0.01509 -0.03728 0.74484 -1.90351 GLU_10 -3.75185 0.27233 2.55189 0.00748 -0.87009 0 0 0 0 0 0 -0.15977 0.00098 2.24582 -0.09852 -1.55374 -1.35547 ARG_11 -4.29645 0.28144 2.75142 0.00953 -1.19519 0 0 0 0 -0.50166 0 -0.20962 0.02136 1.60383 -0.08747 -0.14916 -1.77198 ALA_12 -4.73457 0.39254 2.15684 0.00074 -0.43691 0 0 0 0 0 0 -0.21087 0.15325 0 -0.16524 0.59294 -2.25126 LYS_13 -4.08025 0.31821 1.73739 0.0062 -0.01805 0 0 0 0 0 0 -0.09897 0.04773 0.87643 -0.02219 -0.28737 -1.52088 LYS_14 -2.61866 0.10238 1.81804 0.00315 -0.57297 0 0 0 0 0 0 -0.2191 0.00092 0.80104 -0.03045 -0.28737 -1.00303 GLU_15 -2.09902 0.1424 1.07356 0.00933 -0.08294 0 0 0 0 0 0 -0.19321 0.1311 2.42257 -0.1744 -1.55374 -0.32434 GLY_16 -1.28827 0.07721 0.87041 3e-05 -0.04625 0 0 0 0 0 0 0.17519 0.03146 0 -0.74433 0.14053 -0.78404 THR_17 -2.51987 0.28454 1.38358 0.00972 -0.71262 0 0 0 -0.12045 0 0 0.31852 0.043 0.19155 -0.51103 0.16454 -1.46853 GLY_18 -1.51224 0.34844 0.93313 0.00012 -0.66682 0 0 0 -0.12045 0 0 0.0649 0.0119 0 -0.4925 0.14053 -1.29299 VAL_19 -3.97369 0.35842 1.10024 0.01295 -0.44389 0 0 0 0 0 0 -0.18546 0.05412 0.09398 -0.37135 0.74484 -2.60985 ASP_20 -1.3602 0.08603 1.07324 0.01695 -0.10204 0 0 0 0 0 0 0.02396 0.23157 1.36623 -0.20852 -1.28682 -0.1596 VAL_21 -3.43968 0.51181 1.26631 0.01939 -0.20462 0 0 0 0 0 0 0.05635 0.09172 0.31954 -0.11127 0.74484 -0.7456 ASN_22 -1.66696 0.41828 0.81904 0.00631 -0.05144 0 0 0 0 0 0 -0.2802 0.01132 1.74619 -0.43713 -0.94198 -0.37656 GLY_23 -1.12087 0.28467 0.81627 0 0.10691 0 0 0 0 0 0 -0.35351 0.02292 0 -0.77026 0.14053 -0.87335 GLN_24 -3.75439 0.54914 2.10025 0.00521 -0.17155 0 0 0 0 0 0 -0.10286 3e-05 1.9401 0.02681 -1.17797 -0.58523 ARG_25 -1.8433 0.12122 1.32601 0.01314 -0.8743 0 0 0 0 -0.25886 0 -0.00274 0.00146 1.76487 0.03781 -0.14916 0.13615 PHE_26 -6.30253 0.64137 1.82665 0.02405 -0.39877 0 0 0 0 0 0 0.02448 0.03321 1.72411 -0.14804 0.43057 -2.1449 GLU_27 -1.45221 0.12747 1.26303 0.00459 -0.62137 0 0 0 0 -0.25886 0 -0.23936 0.10438 2.13234 -0.11662 -1.55374 -0.61036 ASP_28 -4.232 0.76473 3.47728 0.01233 -1.56027 0 0 0 -0.2557 -0.49159 0 -0.08751 0.1595 1.7357 -0.0419 -1.28682 -1.80624 TRP_29 -7.47868 0.52487 3.00378 0.02988 -0.06091 0 0 0 0 0 0 -0.15243 0.00597 0.99661 -0.13488 0.92933 -2.33644 ARG_30 -5.02033 0.81997 3.27861 0.00957 -1.42311 0 0 0 -0.2557 -0.49159 0 -0.2443 0.22893 1.65876 -0.10304 -0.14916 -1.6914 GLU_31 -4.25798 0.26167 3.03007 0.00544 -1.17932 0 0 0 0 -0.39612 0 -0.19703 0.37496 2.28949 -0.174 -1.55374 -1.79657 ALA_32 -4.62273 0.75116 1.66884 0.00073 -0.11428 0 0 0 0 0 0 -0.14809 0.10301 0 -0.17259 0.59294 -1.941 GLU_33 -4.97567 0.48286 3.21513 0.00729 -1.07369 0 0 0 0 -0.56172 0 -0.065 0.03769 2.13248 -0.10688 -1.55374 -2.46126 ARG_34 -5.14958 0.4056 4.19218 0.01597 -1.97038 0 0 0 0 -0.59384 0 -0.04917 0 1.49804 -0.10966 -0.14916 -1.90998 TRP_35 -7.17101 0.51937 2.96109 0.02425 -0.29698 0 0 0 0 0 0 -0.07941 0.01334 1.31375 -0.04106 0.92933 -1.82734 VAL_36 -5.75387 0.52159 2.46132 0.01693 -0.29645 0 0 0 0 0 0 0.01876 1e-05 0.05798 -0.02117 0.74484 -2.25006 ARG_37 -4.73602 0.3324 3.14817 0.00956 -1.12592 0 0 0 0 -0.56172 0 -0.18979 0.02635 1.63645 -0.08544 -0.14916 -1.69512 GLU_38 -4.79267 0.32397 3.45048 0.00467 -0.96363 0 0 0 0 -0.19771 0 -0.24616 0.03648 2.16395 -0.12706 -1.55374 -1.90142 GLN_39 -5.20851 0.42695 2.67008 0.00528 -0.31129 0 0 0 0 0 0 -0.20666 0.1267 2.06112 -0.13102 -1.17797 -1.74532 GLU_40 -4.70902 0.43123 3.19561 0.00448 -0.52362 0 0 0 0 -0.21047 0 -0.2593 0.19161 2.18082 -0.14812 -1.55374 -1.40052 LYS_41 -2.67342 0.23285 1.60599 0.0031 -0.01864 0 0 0 0 0 0 -0.24927 0.06741 0.74248 -0.03162 -0.28737 -0.6085 ASN_42 -2.58601 0.13259 1.91384 0.00356 0.25109 0 0 0 0 0 0 -0.07388 0.00854 1.07601 0.05267 -0.94198 -0.16356 LYS:CtermProteinFull_43 -2.11733 0.14021 1.67747 0.00592 0.2238 0 0 0 0 0 0 0 0 0.83797 0 -0.28737 0.48065 #END_POSE_ENERGIES_TABLE heeh_nods_heeh.3.3.2.2.bp_r2_pass_20150509141537_0001.pdb AlaCount 3 bb -0.0805147 buried_minus_exposed 3518.46 buried_np 5049.73 buried_np_per_res 117.436 buried_over_exposed 3.29772 cavity_volume 0 contact_all 266 contact_core_SASA 133 contact_core_SCN 266 degree 9.7907 degree_core_SASA 9.7907 degree_core_SCN 9.7907 exposed_hydrophobics 1531.27 holes 2.84673 mismatch_probability 0.347814 one_core_each 1 pack 0.693347 percent_core_SASA 0.139502 percent_core_SCN 0.139502 res_count_core_SASA 6 res_count_core_SCN 6 ss_sc 0.770616 two_core_each 1 unsat_hbond 3
HEEH_rd3_0002.pdb
ATOM 1 N SER A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA SER A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C SER A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O SER A 1 1.602 2.254 -0.809 1.00 0.00 O ATOM 5 CB SER A 1 1.980 -0.754 -1.207 1.00 0.00 C ATOM 6 OG SER A 1 3.327 -0.452 -1.445 1.00 0.00 O ATOM 7 1H SER A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 8 2H SER A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 9 3H SER A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 10 HA SER A 1 1.804 -0.509 0.900 1.00 0.00 H ATOM 11 1HB SER A 1 1.869 -1.826 -1.043 1.00 0.00 H ATOM 12 2HB SER A 1 1.387 -0.495 -2.083 1.00 0.00 H ATOM 13 HG SER A 1 3.834 -1.023 -0.862 1.00 0.00 H ATOM 14 N LYS A 2 2.937 1.689 0.912 1.00 0.00 N ATOM 15 CA LYS A 2 3.554 3.007 1.011 1.00 0.00 C ATOM 16 C LYS A 2 4.295 3.366 -0.271 1.00 0.00 C ATOM 17 O LYS A 2 4.255 4.510 -0.722 1.00 0.00 O ATOM 18 CB LYS A 2 4.510 3.062 2.204 1.00 0.00 C ATOM 19 CG LYS A 2 5.124 4.433 2.455 1.00 0.00 C ATOM 20 CD LYS A 2 5.992 4.429 3.705 1.00 0.00 C ATOM 21 CE LYS A 2 6.617 5.794 3.950 1.00 0.00 C ATOM 22 NZ LYS A 2 7.464 5.807 5.173 1.00 0.00 N ATOM 23 H LYS A 2 3.222 0.963 1.553 1.00 0.00 H ATOM 24 HA LYS A 2 2.769 3.745 1.180 1.00 0.00 H ATOM 25 1HB LYS A 2 3.981 2.762 3.109 1.00 0.00 H ATOM 26 2HB LYS A 2 5.324 2.353 2.051 1.00 0.00 H ATOM 27 1HG LYS A 2 5.736 4.720 1.599 1.00 0.00 H ATOM 28 2HG LYS A 2 4.331 5.170 2.576 1.00 0.00 H ATOM 29 1HD LYS A 2 5.384 4.156 4.569 1.00 0.00 H ATOM 30 2HD LYS A 2 6.786 3.691 3.594 1.00 0.00 H ATOM 31 1HE LYS A 2 7.231 6.072 3.094 1.00 0.00 H ATOM 32 2HE LYS A 2 5.830 6.540 4.061 1.00 0.00 H ATOM 33 1HZ LYS A 2 7.859 6.728 5.300 1.00 0.00 H ATOM 34 2HZ LYS A 2 6.900 5.569 5.977 1.00 0.00 H ATOM 35 3HZ LYS A 2 8.210 5.133 5.074 1.00 0.00 H ATOM 36 N ASP A 3 4.970 2.381 -0.853 1.00 0.00 N ATOM 37 CA ASP A 3 5.666 2.574 -2.120 1.00 0.00 C ATOM 38 C ASP A 3 4.699 2.989 -3.221 1.00 0.00 C ATOM 39 O ASP A 3 4.973 3.914 -3.986 1.00 0.00 O ATOM 40 CB ASP A 3 6.397 1.294 -2.531 1.00 0.00 C ATOM 41 CG ASP A 3 7.619 1.007 -1.670 1.00 0.00 C ATOM 42 OD1 ASP A 3 8.073 1.904 -0.999 1.00 0.00 O ATOM 43 OD2 ASP A 3 8.088 -0.106 -1.690 1.00 0.00 O ATOM 44 H ASP A 3 5.003 1.476 -0.407 1.00 0.00 H ATOM 45 HA ASP A 3 6.408 3.363 -1.991 1.00 0.00 H ATOM 46 1HB ASP A 3 5.715 0.447 -2.462 1.00 0.00 H ATOM 47 2HB ASP A 3 6.714 1.374 -3.571 1.00 0.00 H ATOM 48 N ALA A 4 3.565 2.300 -3.297 1.00 0.00 N ATOM 49 CA ALA A 4 2.511 2.661 -4.237 1.00 0.00 C ATOM 50 C ALA A 4 1.954 4.047 -3.936 1.00 0.00 C ATOM 51 O ALA A 4 1.624 4.806 -4.847 1.00 0.00 O ATOM 52 CB ALA A 4 1.396 1.626 -4.206 1.00 0.00 C ATOM 53 H ALA A 4 3.430 1.506 -2.688 1.00 0.00 H ATOM 54 HA ALA A 4 2.930 2.664 -5.244 1.00 0.00 H ATOM 55 1HB ALA A 4 0.616 1.909 -4.913 1.00 0.00 H ATOM 56 2HB ALA A 4 1.798 0.650 -4.481 1.00 0.00 H ATOM 57 3HB ALA A 4 0.975 1.575 -3.203 1.00 0.00 H ATOM 58 N ALA A 5 1.854 4.372 -2.652 1.00 0.00 N ATOM 59 CA ALA A 5 1.357 5.676 -2.228 1.00 0.00 C ATOM 60 C ALA A 5 2.280 6.794 -2.692 1.00 0.00 C ATOM 61 O ALA A 5 1.824 7.877 -3.058 1.00 0.00 O ATOM 62 CB ALA A 5 1.197 5.715 -0.715 1.00 0.00 C ATOM 63 H ALA A 5 2.128 3.698 -1.951 1.00 0.00 H ATOM 64 HA ALA A 5 0.371 5.830 -2.668 1.00 0.00 H ATOM 65 1HB ALA A 5 0.825 6.695 -0.414 1.00 0.00 H ATOM 66 2HB ALA A 5 0.488 4.947 -0.404 1.00 0.00 H ATOM 67 3HB ALA A 5 2.160 5.532 -0.243 1.00 0.00 H ATOM 68 N GLN A 6 3.582 6.526 -2.674 1.00 0.00 N ATOM 69 CA GLN A 6 4.570 7.496 -3.130 1.00 0.00 C ATOM 70 C GLN A 6 4.441 7.752 -4.626 1.00 0.00 C ATOM 71 O GLN A 6 4.553 8.890 -5.083 1.00 0.00 O ATOM 72 CB GLN A 6 5.986 7.013 -2.802 1.00 0.00 C ATOM 73 CG GLN A 6 7.072 8.041 -3.072 1.00 0.00 C ATOM 74 CD GLN A 6 6.991 9.229 -2.132 1.00 0.00 C ATOM 75 OE1 GLN A 6 7.041 9.075 -0.909 1.00 0.00 O ATOM 76 NE2 GLN A 6 6.865 10.423 -2.699 1.00 0.00 N ATOM 77 H GLN A 6 3.894 5.627 -2.336 1.00 0.00 H ATOM 78 HA GLN A 6 4.405 8.435 -2.599 1.00 0.00 H ATOM 79 1HB GLN A 6 6.040 6.734 -1.750 1.00 0.00 H ATOM 80 2HB GLN A 6 6.211 6.123 -3.389 1.00 0.00 H ATOM 81 1HG GLN A 6 8.045 7.568 -2.942 1.00 0.00 H ATOM 82 2HG GLN A 6 6.967 8.405 -4.094 1.00 0.00 H ATOM 83 1HE2 GLN A 6 6.807 11.244 -2.130 1.00 0.00 H ATOM 84 2HE2 GLN A 6 6.828 10.503 -3.696 1.00 0.00 H ATOM 85 N TYR A 7 4.206 6.687 -5.385 1.00 0.00 N ATOM 86 CA TYR A 7 3.904 6.811 -6.806 1.00 0.00 C ATOM 87 C TYR A 7 2.698 7.713 -7.037 1.00 0.00 C ATOM 88 O TYR A 7 2.755 8.650 -7.834 1.00 0.00 O ATOM 89 CB TYR A 7 3.661 5.433 -7.424 1.00 0.00 C ATOM 90 CG TYR A 7 3.284 5.478 -8.888 1.00 0.00 C ATOM 91 CD1 TYR A 7 4.267 5.645 -9.852 1.00 0.00 C ATOM 92 CD2 TYR A 7 1.956 5.352 -9.267 1.00 0.00 C ATOM 93 CE1 TYR A 7 3.924 5.686 -11.190 1.00 0.00 C ATOM 94 CE2 TYR A 7 1.612 5.393 -10.604 1.00 0.00 C ATOM 95 CZ TYR A 7 2.590 5.559 -11.563 1.00 0.00 C ATOM 96 OH TYR A 7 2.248 5.600 -12.895 1.00 0.00 O ATOM 97 H TYR A 7 4.237 5.769 -4.967 1.00 0.00 H ATOM 98 HA TYR A 7 4.769 7.249 -7.307 1.00 0.00 H ATOM 99 1HB TYR A 7 4.561 4.824 -7.322 1.00 0.00 H ATOM 100 2HB TYR A 7 2.861 4.927 -6.883 1.00 0.00 H ATOM 101 HD1 TYR A 7 5.312 5.744 -9.555 1.00 0.00 H ATOM 102 HD2 TYR A 7 1.183 5.221 -8.509 1.00 0.00 H ATOM 103 HE1 TYR A 7 4.696 5.817 -11.947 1.00 0.00 H ATOM 104 HE2 TYR A 7 0.568 5.295 -10.902 1.00 0.00 H ATOM 105 HH TYR A 7 3.038 5.738 -13.424 1.00 0.00 H ATOM 106 N VAL A 8 1.608 7.426 -6.334 1.00 0.00 N ATOM 107 CA VAL A 8 0.411 8.255 -6.404 1.00 0.00 C ATOM 108 C VAL A 8 0.720 9.701 -6.036 1.00 0.00 C ATOM 109 O VAL A 8 0.294 10.630 -6.721 1.00 0.00 O ATOM 110 CB VAL A 8 -0.674 7.708 -5.457 1.00 0.00 C ATOM 111 CG1 VAL A 8 -1.844 8.677 -5.372 1.00 0.00 C ATOM 112 CG2 VAL A 8 -1.139 6.342 -5.937 1.00 0.00 C ATOM 113 H VAL A 8 1.608 6.612 -5.736 1.00 0.00 H ATOM 114 HA VAL A 8 0.030 8.228 -7.426 1.00 0.00 H ATOM 115 HB VAL A 8 -0.257 7.619 -4.454 1.00 0.00 H ATOM 116 1HG1 VAL A 8 -2.602 8.274 -4.699 1.00 0.00 H ATOM 117 2HG1 VAL A 8 -1.495 9.637 -4.993 1.00 0.00 H ATOM 118 3HG1 VAL A 8 -2.277 8.813 -6.364 1.00 0.00 H ATOM 119 1HG2 VAL A 8 -1.905 5.961 -5.263 1.00 0.00 H ATOM 120 2HG2 VAL A 8 -1.551 6.430 -6.943 1.00 0.00 H ATOM 121 3HG2 VAL A 8 -0.293 5.654 -5.951 1.00 0.00 H ATOM 122 N TYR A 9 1.462 9.884 -4.950 1.00 0.00 N ATOM 123 CA TYR A 9 1.837 11.217 -4.493 1.00 0.00 C ATOM 124 C TYR A 9 2.546 11.997 -5.592 1.00 0.00 C ATOM 125 O TYR A 9 2.161 13.119 -5.919 1.00 0.00 O ATOM 126 CB TYR A 9 2.723 11.127 -3.249 1.00 0.00 C ATOM 127 CG TYR A 9 3.087 12.472 -2.660 1.00 0.00 C ATOM 128 CD1 TYR A 9 2.274 13.051 -1.697 1.00 0.00 C ATOM 129 CD2 TYR A 9 4.234 13.128 -3.084 1.00 0.00 C ATOM 130 CE1 TYR A 9 2.606 14.279 -1.159 1.00 0.00 C ATOM 131 CE2 TYR A 9 4.566 14.356 -2.547 1.00 0.00 C ATOM 132 CZ TYR A 9 3.757 14.931 -1.588 1.00 0.00 C ATOM 133 OH TYR A 9 4.088 16.155 -1.053 1.00 0.00 O ATOM 134 H TYR A 9 1.776 9.079 -4.427 1.00 0.00 H ATOM 135 HA TYR A 9 0.930 11.754 -4.213 1.00 0.00 H ATOM 136 1HB TYR A 9 2.214 10.546 -2.479 1.00 0.00 H ATOM 137 2HB TYR A 9 3.646 10.604 -3.497 1.00 0.00 H ATOM 138 HD1 TYR A 9 1.372 12.536 -1.364 1.00 0.00 H ATOM 139 HD2 TYR A 9 4.872 12.674 -3.842 1.00 0.00 H ATOM 140 HE1 TYR A 9 1.967 14.734 -0.402 1.00 0.00 H ATOM 141 HE2 TYR A 9 5.467 14.871 -2.880 1.00 0.00 H ATOM 142 HH TYR A 9 3.427 16.408 -0.404 1.00 0.00 H ATOM 143 N ASP A 10 3.586 11.395 -6.161 1.00 0.00 N ATOM 144 CA ASP A 10 4.376 12.048 -7.197 1.00 0.00 C ATOM 145 C ASP A 10 3.506 12.452 -8.381 1.00 0.00 C ATOM 146 O ASP A 10 3.610 13.570 -8.886 1.00 0.00 O ATOM 147 CB ASP A 10 5.501 11.126 -7.675 1.00 0.00 C ATOM 148 CG ASP A 10 6.560 10.882 -6.608 1.00 0.00 C ATOM 149 OD1 ASP A 10 6.533 11.557 -5.607 1.00 0.00 O ATOM 150 OD2 ASP A 10 7.386 10.023 -6.806 1.00 0.00 O ATOM 151 H ASP A 10 3.835 10.461 -5.867 1.00 0.00 H ATOM 152 HA ASP A 10 4.829 12.945 -6.774 1.00 0.00 H ATOM 153 1HB ASP A 10 5.082 10.166 -7.976 1.00 0.00 H ATOM 154 2HB ASP A 10 5.982 11.563 -8.551 1.00 0.00 H ATOM 155 N GLU A 11 2.649 11.537 -8.818 1.00 0.00 N ATOM 156 CA GLU A 11 1.799 11.775 -9.979 1.00 0.00 C ATOM 157 C GLU A 11 0.761 12.852 -9.690 1.00 0.00 C ATOM 158 O GLU A 11 0.439 13.665 -10.556 1.00 0.00 O ATOM 159 CB GLU A 11 1.101 10.481 -10.404 1.00 0.00 C ATOM 160 CG GLU A 11 2.031 9.428 -10.989 1.00 0.00 C ATOM 161 CD GLU A 11 2.697 9.876 -12.260 1.00 0.00 C ATOM 162 OE1 GLU A 11 2.017 10.392 -13.114 1.00 0.00 O ATOM 163 OE2 GLU A 11 3.887 9.702 -12.377 1.00 0.00 O ATOM 164 H GLU A 11 2.584 10.652 -8.334 1.00 0.00 H ATOM 165 HA GLU A 11 2.428 12.109 -10.805 1.00 0.00 H ATOM 166 1HB GLU A 11 0.596 10.041 -9.544 1.00 0.00 H ATOM 167 2HB GLU A 11 0.340 10.707 -11.151 1.00 0.00 H ATOM 168 1HG GLU A 11 2.800 9.190 -10.254 1.00 0.00 H ATOM 169 2HG GLU A 11 1.460 8.522 -11.183 1.00 0.00 H ATOM 170 N ALA A 12 0.241 12.852 -8.467 1.00 0.00 N ATOM 171 CA ALA A 12 -0.715 13.868 -8.041 1.00 0.00 C ATOM 172 C ALA A 12 -0.113 15.264 -8.136 1.00 0.00 C ATOM 173 O ALA A 12 -0.779 16.209 -8.559 1.00 0.00 O ATOM 174 CB ALA A 12 -1.185 13.590 -6.621 1.00 0.00 C ATOM 175 H ALA A 12 0.514 12.130 -7.816 1.00 0.00 H ATOM 176 HA ALA A 12 -1.587 13.817 -8.694 1.00 0.00 H ATOM 177 1HB ALA A 12 -1.898 14.357 -6.317 1.00 0.00 H ATOM 178 2HB ALA A 12 -1.665 12.612 -6.581 1.00 0.00 H ATOM 179 3HB ALA A 12 -0.331 13.602 -5.946 1.00 0.00 H ATOM 180 N GLN A 13 1.149 15.388 -7.740 1.00 0.00 N ATOM 181 CA GLN A 13 1.860 16.657 -7.832 1.00 0.00 C ATOM 182 C GLN A 13 1.981 17.117 -9.279 1.00 0.00 C ATOM 183 O GLN A 13 1.952 18.314 -9.565 1.00 0.00 O ATOM 184 CB GLN A 13 3.251 16.539 -7.204 1.00 0.00 C ATOM 185 CG GLN A 13 4.027 17.844 -7.160 1.00 0.00 C ATOM 186 CD GLN A 13 3.392 18.864 -6.235 1.00 0.00 C ATOM 187 OE1 GLN A 13 3.172 18.597 -5.050 1.00 0.00 O ATOM 188 NE2 GLN A 13 3.093 20.042 -6.770 1.00 0.00 N ATOM 189 H GLN A 13 1.628 14.581 -7.366 1.00 0.00 H ATOM 190 HA GLN A 13 1.302 17.408 -7.272 1.00 0.00 H ATOM 191 1HB GLN A 13 3.159 16.168 -6.183 1.00 0.00 H ATOM 192 2HB GLN A 13 3.843 15.814 -7.763 1.00 0.00 H ATOM 193 1HG GLN A 13 5.038 17.642 -6.804 1.00 0.00 H ATOM 194 2HG GLN A 13 4.062 18.268 -8.164 1.00 0.00 H ATOM 195 1HE2 GLN A 13 2.672 20.756 -6.209 1.00 0.00 H ATOM 196 2HE2 GLN A 13 3.288 20.217 -7.736 1.00 0.00 H ATOM 197 N LYS A 14 2.115 16.159 -10.190 1.00 0.00 N ATOM 198 CA LYS A 14 2.217 16.463 -11.613 1.00 0.00 C ATOM 199 C LYS A 14 0.913 17.042 -12.147 1.00 0.00 C ATOM 200 O LYS A 14 0.866 17.567 -13.259 1.00 0.00 O ATOM 201 CB LYS A 14 2.599 15.210 -12.402 1.00 0.00 C ATOM 202 CG LYS A 14 4.007 14.699 -12.129 1.00 0.00 C ATOM 203 CD LYS A 14 4.296 13.429 -12.915 1.00 0.00 C ATOM 204 CE LYS A 14 5.673 12.872 -12.582 1.00 0.00 C ATOM 205 NZ LYS A 14 5.952 11.606 -13.312 1.00 0.00 N ATOM 206 H LYS A 14 2.148 15.195 -9.890 1.00 0.00 H ATOM 207 HA LYS A 14 3.010 17.199 -11.753 1.00 0.00 H ATOM 208 1HB LYS A 14 1.900 14.406 -12.169 1.00 0.00 H ATOM 209 2HB LYS A 14 2.518 15.414 -13.470 1.00 0.00 H ATOM 210 1HG LYS A 14 4.733 15.463 -12.410 1.00 0.00 H ATOM 211 2HG LYS A 14 4.119 14.491 -11.066 1.00 0.00 H ATOM 212 1HD LYS A 14 3.542 12.676 -12.681 1.00 0.00 H ATOM 213 2HD LYS A 14 4.251 13.644 -13.983 1.00 0.00 H ATOM 214 1HE LYS A 14 6.435 13.604 -12.845 1.00 0.00 H ATOM 215 2HE LYS A 14 5.738 12.681 -11.511 1.00 0.00 H ATOM 216 1HZ LYS A 14 6.872 11.270 -13.064 1.00 0.00 H ATOM 217 2HZ LYS A 14 5.262 10.912 -13.062 1.00 0.00 H ATOM 218 3HZ LYS A 14 5.913 11.775 -14.307 1.00 0.00 H ATOM 219 N GLY A 15 -0.143 16.943 -11.348 1.00 0.00 N ATOM 220 CA GLY A 15 -1.445 17.478 -11.729 1.00 0.00 C ATOM 221 C GLY A 15 -2.397 16.364 -12.146 1.00 0.00 C ATOM 222 O GLY A 15 -3.441 16.619 -12.746 1.00 0.00 O ATOM 223 H GLY A 15 -0.042 16.485 -10.453 1.00 0.00 H ATOM 224 1HA GLY A 15 -1.871 18.031 -10.892 1.00 0.00 H ATOM 225 2HA GLY A 15 -1.322 18.182 -12.551 1.00 0.00 H ATOM 226 N VAL A 16 -2.032 15.128 -11.823 1.00 0.00 N ATOM 227 CA VAL A 16 -2.871 13.976 -12.130 1.00 0.00 C ATOM 228 C VAL A 16 -4.024 13.856 -11.141 1.00 0.00 C ATOM 229 O VAL A 16 -3.815 13.847 -9.928 1.00 0.00 O ATOM 230 CB VAL A 16 -2.035 12.683 -12.100 1.00 0.00 C ATOM 231 CG1 VAL A 16 -2.927 11.468 -12.309 1.00 0.00 C ATOM 232 CG2 VAL A 16 -0.948 12.744 -13.162 1.00 0.00 C ATOM 233 H VAL A 16 -1.149 14.983 -11.354 1.00 0.00 H ATOM 234 HA VAL A 16 -3.282 14.104 -13.132 1.00 0.00 H ATOM 235 HB VAL A 16 -1.578 12.580 -11.116 1.00 0.00 H ATOM 236 1HG1 VAL A 16 -2.320 10.562 -12.284 1.00 0.00 H ATOM 237 2HG1 VAL A 16 -3.674 11.424 -11.517 1.00 0.00 H ATOM 238 3HG1 VAL A 16 -3.424 11.544 -13.276 1.00 0.00 H ATOM 239 1HG2 VAL A 16 -0.361 11.826 -13.134 1.00 0.00 H ATOM 240 2HG2 VAL A 16 -1.406 12.853 -14.145 1.00 0.00 H ATOM 241 3HG2 VAL A 16 -0.298 13.597 -12.968 1.00 0.00 H ATOM 242 N THR A 17 -5.240 13.762 -11.667 1.00 0.00 N ATOM 243 CA THR A 17 -6.433 13.693 -10.831 1.00 0.00 C ATOM 244 C THR A 17 -6.878 12.251 -10.625 1.00 0.00 C ATOM 245 O THR A 17 -7.610 11.946 -9.683 1.00 0.00 O ATOM 246 CB THR A 17 -7.587 14.509 -11.443 1.00 0.00 C ATOM 247 OG1 THR A 17 -7.943 13.956 -12.717 1.00 0.00 O ATOM 248 CG2 THR A 17 -7.177 15.962 -11.622 1.00 0.00 C ATOM 249 H THR A 17 -5.342 13.739 -12.671 1.00 0.00 H ATOM 250 HA THR A 17 -6.200 14.130 -9.859 1.00 0.00 H ATOM 251 HB THR A 17 -8.455 14.460 -10.786 1.00 0.00 H ATOM 252 HG1 THR A 17 -8.719 13.400 -12.618 1.00 0.00 H ATOM 253 1HG2 THR A 17 -8.005 16.523 -12.056 1.00 0.00 H ATOM 254 2HG2 THR A 17 -6.917 16.389 -10.654 1.00 0.00 H ATOM 255 3HG2 THR A 17 -6.315 16.018 -12.286 1.00 0.00 H ATOM 256 N GLN A 18 -6.432 11.367 -11.511 1.00 0.00 N ATOM 257 CA GLN A 18 -6.769 9.952 -11.416 1.00 0.00 C ATOM 258 C GLN A 18 -5.584 9.077 -11.806 1.00 0.00 C ATOM 259 O GLN A 18 -5.063 9.180 -12.917 1.00 0.00 O ATOM 260 CB GLN A 18 -7.973 9.627 -12.304 1.00 0.00 C ATOM 261 CG GLN A 18 -8.384 8.164 -12.285 1.00 0.00 C ATOM 262 CD GLN A 18 -9.627 7.901 -13.114 1.00 0.00 C ATOM 263 OE1 GLN A 18 -10.133 8.794 -13.799 1.00 0.00 O ATOM 264 NE2 GLN A 18 -10.126 6.672 -13.056 1.00 0.00 N ATOM 265 H GLN A 18 -5.845 11.684 -12.269 1.00 0.00 H ATOM 266 HA GLN A 18 -7.043 9.729 -10.385 1.00 0.00 H ATOM 267 1HB GLN A 18 -8.830 10.221 -11.987 1.00 0.00 H ATOM 268 2HB GLN A 18 -7.749 9.899 -13.335 1.00 0.00 H ATOM 269 1HG GLN A 18 -7.570 7.563 -12.689 1.00 0.00 H ATOM 270 2HG GLN A 18 -8.590 7.869 -11.256 1.00 0.00 H ATOM 271 1HE2 GLN A 18 -10.946 6.439 -13.581 1.00 0.00 H ATOM 272 2HE2 GLN A 18 -9.684 5.978 -12.487 1.00 0.00 H ATOM 273 N VAL A 19 -5.163 8.216 -10.886 1.00 0.00 N ATOM 274 CA VAL A 19 -4.028 7.332 -11.126 1.00 0.00 C ATOM 275 C VAL A 19 -4.300 5.931 -10.593 1.00 0.00 C ATOM 276 O VAL A 19 -4.866 5.766 -9.513 1.00 0.00 O ATOM 277 CB VAL A 19 -2.761 7.896 -10.458 1.00 0.00 C ATOM 278 CG1 VAL A 19 -2.950 7.990 -8.951 1.00 0.00 C ATOM 279 CG2 VAL A 19 -1.563 7.021 -10.798 1.00 0.00 C ATOM 280 H VAL A 19 -5.640 8.173 -9.997 1.00 0.00 H ATOM 281 HA VAL A 19 -3.860 7.270 -12.202 1.00 0.00 H ATOM 282 HB VAL A 19 -2.588 8.908 -10.824 1.00 0.00 H ATOM 283 1HG1 VAL A 19 -2.044 8.391 -8.495 1.00 0.00 H ATOM 284 2HG1 VAL A 19 -3.789 8.649 -8.730 1.00 0.00 H ATOM 285 3HG1 VAL A 19 -3.150 6.998 -8.547 1.00 0.00 H ATOM 286 1HG2 VAL A 19 -0.670 7.426 -10.323 1.00 0.00 H ATOM 287 2HG2 VAL A 19 -1.739 6.008 -10.437 1.00 0.00 H ATOM 288 3HG2 VAL A 19 -1.422 7.002 -11.879 1.00 0.00 H ATOM 289 N THR A 20 -3.892 4.924 -11.358 1.00 0.00 N ATOM 290 CA THR A 20 -4.045 3.535 -10.941 1.00 0.00 C ATOM 291 C THR A 20 -2.690 2.873 -10.720 1.00 0.00 C ATOM 292 O THR A 20 -1.818 2.920 -11.587 1.00 0.00 O ATOM 293 CB THR A 20 -4.851 2.731 -11.978 1.00 0.00 C ATOM 294 OG1 THR A 20 -6.151 3.314 -12.133 1.00 0.00 O ATOM 295 CG2 THR A 20 -4.998 1.283 -11.533 1.00 0.00 C ATOM 296 H THR A 20 -3.464 5.125 -12.250 1.00 0.00 H ATOM 297 HA THR A 20 -4.601 3.514 -10.003 1.00 0.00 H ATOM 298 HB THR A 20 -4.338 2.759 -12.939 1.00 0.00 H ATOM 299 HG1 THR A 20 -6.276 3.576 -13.048 1.00 0.00 H ATOM 300 1HG2 THR A 20 -5.569 0.730 -12.278 1.00 0.00 H ATOM 301 2HG2 THR A 20 -4.011 0.834 -11.425 1.00 0.00 H ATOM 302 3HG2 THR A 20 -5.518 1.248 -10.577 1.00 0.00 H ATOM 303 N VAL A 21 -2.521 2.258 -9.555 1.00 0.00 N ATOM 304 CA VAL A 21 -1.284 1.557 -9.231 1.00 0.00 C ATOM 305 C VAL A 21 -1.534 0.429 -8.239 1.00 0.00 C ATOM 306 O VAL A 21 -2.345 0.562 -7.324 1.00 0.00 O ATOM 307 CB VAL A 21 -0.254 2.538 -8.641 1.00 0.00 C ATOM 308 CG1 VAL A 21 -0.767 3.127 -7.335 1.00 0.00 C ATOM 309 CG2 VAL A 21 1.074 1.827 -8.427 1.00 0.00 C ATOM 310 H VAL A 21 -3.269 2.275 -8.876 1.00 0.00 H ATOM 311 HA VAL A 21 -0.877 1.132 -10.149 1.00 0.00 H ATOM 312 HB VAL A 21 -0.115 3.367 -9.335 1.00 0.00 H ATOM 313 1HG1 VAL A 21 -0.026 3.818 -6.932 1.00 0.00 H ATOM 314 2HG1 VAL A 21 -1.699 3.661 -7.519 1.00 0.00 H ATOM 315 3HG1 VAL A 21 -0.942 2.325 -6.618 1.00 0.00 H ATOM 316 1HG2 VAL A 21 1.798 2.526 -8.010 1.00 0.00 H ATOM 317 2HG2 VAL A 21 0.934 0.994 -7.737 1.00 0.00 H ATOM 318 3HG2 VAL A 21 1.443 1.450 -9.381 1.00 0.00 H ATOM 319 N ASN A 22 -0.831 -0.683 -8.427 1.00 0.00 N ATOM 320 CA ASN A 22 -0.933 -1.817 -7.516 1.00 0.00 C ATOM 321 C ASN A 22 -2.348 -2.382 -7.497 1.00 0.00 C ATOM 322 O ASN A 22 -2.796 -2.926 -6.487 1.00 0.00 O ATOM 323 CB ASN A 22 -0.498 -1.420 -6.117 1.00 0.00 C ATOM 324 CG ASN A 22 -0.067 -2.599 -5.290 1.00 0.00 C ATOM 325 OD1 ASN A 22 0.508 -3.562 -5.810 1.00 0.00 O ATOM 326 ND2 ASN A 22 -0.333 -2.542 -4.010 1.00 0.00 N ATOM 327 H ASN A 22 -0.209 -0.745 -9.220 1.00 0.00 H ATOM 328 HA ASN A 22 -0.274 -2.609 -7.873 1.00 0.00 H ATOM 329 1HB ASN A 22 0.330 -0.713 -6.181 1.00 0.00 H ATOM 330 2HB ASN A 22 -1.320 -0.916 -5.610 1.00 0.00 H ATOM 331 1HD2 ASN A 22 -0.070 -3.298 -3.410 1.00 0.00 H ATOM 332 2HD2 ASN A 22 -0.800 -1.743 -3.631 1.00 0.00 H ATOM 333 N GLY A 23 -3.048 -2.250 -8.619 1.00 0.00 N ATOM 334 CA GLY A 23 -4.378 -2.829 -8.764 1.00 0.00 C ATOM 335 C GLY A 23 -5.434 -1.955 -8.100 1.00 0.00 C ATOM 336 O GLY A 23 -6.597 -2.344 -7.993 1.00 0.00 O ATOM 337 H GLY A 23 -2.647 -1.736 -9.390 1.00 0.00 H ATOM 338 1HA GLY A 23 -4.610 -2.945 -9.823 1.00 0.00 H ATOM 339 2HA GLY A 23 -4.392 -3.824 -8.321 1.00 0.00 H ATOM 340 N VAL A 24 -5.023 -0.773 -7.655 1.00 0.00 N ATOM 341 CA VAL A 24 -5.923 0.140 -6.962 1.00 0.00 C ATOM 342 C VAL A 24 -6.031 1.471 -7.696 1.00 0.00 C ATOM 343 O VAL A 24 -5.021 2.094 -8.023 1.00 0.00 O ATOM 344 CB VAL A 24 -5.429 0.389 -5.524 1.00 0.00 C ATOM 345 CG1 VAL A 24 -6.359 1.353 -4.801 1.00 0.00 C ATOM 346 CG2 VAL A 24 -5.331 -0.930 -4.774 1.00 0.00 C ATOM 347 H VAL A 24 -4.061 -0.500 -7.800 1.00 0.00 H ATOM 348 HA VAL A 24 -6.913 -0.316 -6.918 1.00 0.00 H ATOM 349 HB VAL A 24 -4.447 0.860 -5.564 1.00 0.00 H ATOM 350 1HG1 VAL A 24 -5.994 1.518 -3.787 1.00 0.00 H ATOM 351 2HG1 VAL A 24 -6.385 2.302 -5.335 1.00 0.00 H ATOM 352 3HG1 VAL A 24 -7.362 0.929 -4.761 1.00 0.00 H ATOM 353 1HG2 VAL A 24 -4.981 -0.747 -3.759 1.00 0.00 H ATOM 354 2HG2 VAL A 24 -6.313 -1.403 -4.740 1.00 0.00 H ATOM 355 3HG2 VAL A 24 -4.629 -1.589 -5.287 1.00 0.00 H ATOM 356 N THR A 25 -7.261 1.901 -7.952 1.00 0.00 N ATOM 357 CA THR A 25 -7.503 3.161 -8.645 1.00 0.00 C ATOM 358 C THR A 25 -7.770 4.290 -7.657 1.00 0.00 C ATOM 359 O THR A 25 -8.561 4.139 -6.726 1.00 0.00 O ATOM 360 CB THR A 25 -8.688 3.039 -9.622 1.00 0.00 C ATOM 361 OG1 THR A 25 -8.381 2.066 -10.629 1.00 0.00 O ATOM 362 CG2 THR A 25 -8.972 4.377 -10.285 1.00 0.00 C ATOM 363 H THR A 25 -8.049 1.341 -7.661 1.00 0.00 H ATOM 364 HA THR A 25 -6.617 3.411 -9.230 1.00 0.00 H ATOM 365 HB THR A 25 -9.575 2.713 -9.079 1.00 0.00 H ATOM 366 HG1 THR A 25 -7.751 2.438 -11.251 1.00 0.00 H ATOM 367 1HG2 THR A 25 -9.812 4.272 -10.972 1.00 0.00 H ATOM 368 2HG2 THR A 25 -9.217 5.117 -9.523 1.00 0.00 H ATOM 369 3HG2 THR A 25 -8.092 4.704 -10.837 1.00 0.00 H ATOM 370 N PHE A 26 -7.104 5.421 -7.865 1.00 0.00 N ATOM 371 CA PHE A 26 -7.263 6.576 -6.990 1.00 0.00 C ATOM 372 C PHE A 26 -7.869 7.756 -7.738 1.00 0.00 C ATOM 373 O PHE A 26 -7.160 8.678 -8.142 1.00 0.00 O ATOM 374 CB PHE A 26 -5.915 6.983 -6.392 1.00 0.00 C ATOM 375 CG PHE A 26 -5.262 5.902 -5.579 1.00 0.00 C ATOM 376 CD1 PHE A 26 -4.482 4.931 -6.189 1.00 0.00 C ATOM 377 CD2 PHE A 26 -5.426 5.853 -4.203 1.00 0.00 C ATOM 378 CE1 PHE A 26 -3.880 3.935 -5.441 1.00 0.00 C ATOM 379 CE2 PHE A 26 -4.825 4.860 -3.453 1.00 0.00 C ATOM 380 CZ PHE A 26 -4.052 3.900 -4.074 1.00 0.00 C ATOM 381 H PHE A 26 -6.472 5.482 -8.650 1.00 0.00 H ATOM 382 HA PHE A 26 -7.930 6.301 -6.172 1.00 0.00 H ATOM 383 1HB PHE A 26 -5.233 7.265 -7.192 1.00 0.00 H ATOM 384 2HB PHE A 26 -6.049 7.855 -5.753 1.00 0.00 H ATOM 385 HD1 PHE A 26 -4.345 4.959 -7.270 1.00 0.00 H ATOM 386 HD2 PHE A 26 -6.038 6.611 -3.712 1.00 0.00 H ATOM 387 HE1 PHE A 26 -3.270 3.179 -5.934 1.00 0.00 H ATOM 388 HE2 PHE A 26 -4.962 4.834 -2.372 1.00 0.00 H ATOM 389 HZ PHE A 26 -3.579 3.116 -3.485 1.00 0.00 H ATOM 390 N LYS A 27 -9.185 7.722 -7.921 1.00 0.00 N ATOM 391 CA LYS A 27 -9.875 8.734 -8.711 1.00 0.00 C ATOM 392 C LYS A 27 -10.380 9.870 -7.831 1.00 0.00 C ATOM 393 O LYS A 27 -11.211 9.660 -6.947 1.00 0.00 O ATOM 394 CB LYS A 27 -11.038 8.109 -9.484 1.00 0.00 C ATOM 395 CG LYS A 27 -11.781 9.078 -10.395 1.00 0.00 C ATOM 396 CD LYS A 27 -12.903 8.379 -11.146 1.00 0.00 C ATOM 397 CE LYS A 27 -13.638 9.343 -12.066 1.00 0.00 C ATOM 398 NZ LYS A 27 -14.752 8.677 -12.795 1.00 0.00 N ATOM 399 H LYS A 27 -9.720 6.975 -7.502 1.00 0.00 H ATOM 400 HA LYS A 27 -9.174 9.142 -9.440 1.00 0.00 H ATOM 401 1HB LYS A 27 -10.668 7.289 -10.099 1.00 0.00 H ATOM 402 2HB LYS A 27 -11.759 7.692 -8.780 1.00 0.00 H ATOM 403 1HG LYS A 27 -12.203 9.888 -9.798 1.00 0.00 H ATOM 404 2HG LYS A 27 -11.084 9.506 -11.115 1.00 0.00 H ATOM 405 1HD LYS A 27 -12.490 7.564 -11.743 1.00 0.00 H ATOM 406 2HD LYS A 27 -13.613 7.961 -10.433 1.00 0.00 H ATOM 407 1HE LYS A 27 -14.044 10.166 -11.481 1.00 0.00 H ATOM 408 2HE LYS A 27 -12.940 9.754 -12.795 1.00 0.00 H ATOM 409 1HZ LYS A 27 -15.213 9.348 -13.393 1.00 0.00 H ATOM 410 2HZ LYS A 27 -14.384 7.922 -13.357 1.00 0.00 H ATOM 411 3HZ LYS A 27 -15.417 8.308 -12.130 1.00 0.00 H ATOM 412 N PHE A 28 -9.874 11.073 -8.078 1.00 0.00 N ATOM 413 CA PHE A 28 -10.370 12.266 -7.402 1.00 0.00 C ATOM 414 C PHE A 28 -10.759 13.345 -8.405 1.00 0.00 C ATOM 415 O PHE A 28 -10.309 13.333 -9.550 1.00 0.00 O ATOM 416 CB PHE A 28 -9.314 12.813 -6.440 1.00 0.00 C ATOM 417 CG PHE A 28 -9.110 11.965 -5.217 1.00 0.00 C ATOM 418 CD1 PHE A 28 -8.424 10.762 -5.297 1.00 0.00 C ATOM 419 CD2 PHE A 28 -9.604 12.367 -3.986 1.00 0.00 C ATOM 420 CE1 PHE A 28 -8.237 9.981 -4.172 1.00 0.00 C ATOM 421 CE2 PHE A 28 -9.417 11.589 -2.860 1.00 0.00 C ATOM 422 CZ PHE A 28 -8.733 10.394 -2.954 1.00 0.00 C ATOM 423 H PHE A 28 -9.126 11.164 -8.751 1.00 0.00 H ATOM 424 HA PHE A 28 -11.252 11.994 -6.822 1.00 0.00 H ATOM 425 1HB PHE A 28 -8.359 12.898 -6.958 1.00 0.00 H ATOM 426 2HB PHE A 28 -9.600 13.813 -6.117 1.00 0.00 H ATOM 427 HD1 PHE A 28 -8.031 10.436 -6.260 1.00 0.00 H ATOM 428 HD2 PHE A 28 -10.146 13.311 -3.912 1.00 0.00 H ATOM 429 HE1 PHE A 28 -7.696 9.038 -4.249 1.00 0.00 H ATOM 430 HE2 PHE A 28 -9.810 11.917 -1.898 1.00 0.00 H ATOM 431 HZ PHE A 28 -8.586 9.778 -2.068 1.00 0.00 H ATOM 432 N ASP A 29 -11.597 14.278 -7.967 1.00 0.00 N ATOM 433 CA ASP A 29 -12.005 15.398 -8.807 1.00 0.00 C ATOM 434 C ASP A 29 -11.030 16.562 -8.684 1.00 0.00 C ATOM 435 O ASP A 29 -11.233 17.620 -9.280 1.00 0.00 O ATOM 436 CB ASP A 29 -13.414 15.864 -8.434 1.00 0.00 C ATOM 437 CG ASP A 29 -14.486 14.835 -8.767 1.00 0.00 C ATOM 438 OD1 ASP A 29 -14.308 14.106 -9.714 1.00 0.00 O ATOM 439 OD2 ASP A 29 -15.472 14.787 -8.072 1.00 0.00 O ATOM 440 H ASP A 29 -11.962 14.210 -7.027 1.00 0.00 H ATOM 441 HA ASP A 29 -12.021 15.064 -9.845 1.00 0.00 H ATOM 442 1HB ASP A 29 -13.456 16.077 -7.366 1.00 0.00 H ATOM 443 2HB ASP A 29 -13.643 16.790 -8.962 1.00 0.00 H ATOM 444 N ASN A 30 -9.971 16.360 -7.907 1.00 0.00 N ATOM 445 CA ASN A 30 -8.969 17.398 -7.693 1.00 0.00 C ATOM 446 C ASN A 30 -7.632 16.797 -7.282 1.00 0.00 C ATOM 447 O ASN A 30 -7.519 16.170 -6.228 1.00 0.00 O ATOM 448 CB ASN A 30 -9.448 18.396 -6.654 1.00 0.00 C ATOM 449 CG ASN A 30 -8.514 19.564 -6.501 1.00 0.00 C ATOM 450 OD1 ASN A 30 -7.456 19.616 -7.138 1.00 0.00 O ATOM 451 ND2 ASN A 30 -8.885 20.503 -5.669 1.00 0.00 N ATOM 452 H ASN A 30 -9.856 15.465 -7.454 1.00 0.00 H ATOM 453 HA ASN A 30 -8.834 17.947 -8.626 1.00 0.00 H ATOM 454 1HB ASN A 30 -10.434 18.768 -6.934 1.00 0.00 H ATOM 455 2HB ASN A 30 -9.548 17.897 -5.690 1.00 0.00 H ATOM 456 1HD2 ASN A 30 -8.303 21.304 -5.527 1.00 0.00 H ATOM 457 2HD2 ASN A 30 -9.750 20.420 -5.174 1.00 0.00 H ATOM 458 N TRP A 31 -6.619 16.991 -8.120 1.00 0.00 N ATOM 459 CA TRP A 31 -5.300 16.421 -7.873 1.00 0.00 C ATOM 460 C TRP A 31 -4.748 16.874 -6.527 1.00 0.00 C ATOM 461 O TRP A 31 -3.852 16.241 -5.968 1.00 0.00 O ATOM 462 CB TRP A 31 -4.329 16.820 -8.986 1.00 0.00 C ATOM 463 CG TRP A 31 -4.075 18.295 -9.058 1.00 0.00 C ATOM 464 CD1 TRP A 31 -4.739 19.200 -9.832 1.00 0.00 C ATOM 465 CD2 TRP A 31 -3.080 19.049 -8.324 1.00 0.00 C ATOM 466 NE1 TRP A 31 -4.227 20.459 -9.632 1.00 0.00 N ATOM 467 CE2 TRP A 31 -3.212 20.385 -8.712 1.00 0.00 C ATOM 468 CE3 TRP A 31 -2.103 18.702 -7.383 1.00 0.00 C ATOM 469 CZ2 TRP A 31 -2.402 21.383 -8.194 1.00 0.00 C ATOM 470 CZ3 TRP A 31 -1.291 19.703 -6.863 1.00 0.00 C ATOM 471 CH2 TRP A 31 -1.438 21.009 -7.258 1.00 0.00 C ATOM 472 H TRP A 31 -6.767 17.547 -8.950 1.00 0.00 H ATOM 473 HA TRP A 31 -5.388 15.334 -7.867 1.00 0.00 H ATOM 474 1HB TRP A 31 -3.375 16.315 -8.836 1.00 0.00 H ATOM 475 2HB TRP A 31 -4.725 16.493 -9.948 1.00 0.00 H ATOM 476 HD1 TRP A 31 -5.556 18.960 -10.509 1.00 0.00 H ATOM 477 HE1 TRP A 31 -4.545 21.302 -10.088 1.00 0.00 H ATOM 478 HE3 TRP A 31 -1.983 17.667 -7.065 1.00 0.00 H ATOM 479 HZ2 TRP A 31 -2.503 22.426 -8.495 1.00 0.00 H ATOM 480 HZ3 TRP A 31 -0.532 19.424 -6.131 1.00 0.00 H ATOM 481 HH2 TRP A 31 -0.785 21.769 -6.829 1.00 0.00 H ATOM 482 N GLN A 32 -5.288 17.973 -6.011 1.00 0.00 N ATOM 483 CA GLN A 32 -4.904 18.471 -4.696 1.00 0.00 C ATOM 484 C GLN A 32 -5.408 17.552 -3.591 1.00 0.00 C ATOM 485 O GLN A 32 -4.710 17.310 -2.606 1.00 0.00 O ATOM 486 CB GLN A 32 -5.440 19.889 -4.482 1.00 0.00 C ATOM 487 CG GLN A 32 -4.792 20.939 -5.369 1.00 0.00 C ATOM 488 CD GLN A 32 -5.409 22.313 -5.183 1.00 0.00 C ATOM 489 OE1 GLN A 32 -6.633 22.458 -5.137 1.00 0.00 O ATOM 490 NE2 GLN A 32 -4.562 23.331 -5.076 1.00 0.00 N ATOM 491 H GLN A 32 -5.983 18.477 -6.544 1.00 0.00 H ATOM 492 HA GLN A 32 -3.815 18.513 -4.647 1.00 0.00 H ATOM 493 1HB GLN A 32 -6.513 19.905 -4.671 1.00 0.00 H ATOM 494 2HB GLN A 32 -5.285 20.184 -3.444 1.00 0.00 H ATOM 495 1HG GLN A 32 -3.732 21.004 -5.123 1.00 0.00 H ATOM 496 2HG GLN A 32 -4.917 20.647 -6.411 1.00 0.00 H ATOM 497 1HE2 GLN A 32 -4.911 24.261 -4.952 1.00 0.00 H ATOM 498 2HE2 GLN A 32 -3.576 23.168 -5.119 1.00 0.00 H ATOM 499 N LYS A 33 -6.624 17.044 -3.759 1.00 0.00 N ATOM 500 CA LYS A 33 -7.195 16.093 -2.813 1.00 0.00 C ATOM 501 C LYS A 33 -6.493 14.744 -2.895 1.00 0.00 C ATOM 502 O LYS A 33 -6.259 14.092 -1.878 1.00 0.00 O ATOM 503 CB LYS A 33 -8.694 15.922 -3.064 1.00 0.00 C ATOM 504 CG LYS A 33 -9.534 17.144 -2.713 1.00 0.00 C ATOM 505 CD LYS A 33 -11.006 16.907 -3.016 1.00 0.00 C ATOM 506 CE LYS A 33 -11.846 18.128 -2.669 1.00 0.00 C ATOM 507 NZ LYS A 33 -13.286 17.919 -2.980 1.00 0.00 N ATOM 508 H LYS A 33 -7.166 17.323 -4.564 1.00 0.00 H ATOM 509 HA LYS A 33 -7.070 16.491 -1.805 1.00 0.00 H ATOM 510 1HB LYS A 33 -8.863 15.691 -4.116 1.00 0.00 H ATOM 511 2HB LYS A 33 -9.067 15.081 -2.480 1.00 0.00 H ATOM 512 1HG LYS A 33 -9.422 17.370 -1.652 1.00 0.00 H ATOM 513 2HG LYS A 33 -9.186 18.001 -3.288 1.00 0.00 H ATOM 514 1HD LYS A 33 -11.128 16.683 -4.077 1.00 0.00 H ATOM 515 2HD LYS A 33 -11.364 16.055 -2.439 1.00 0.00 H ATOM 516 1HE LYS A 33 -11.745 18.348 -1.607 1.00 0.00 H ATOM 517 2HE LYS A 33 -11.487 18.989 -3.232 1.00 0.00 H ATOM 518 1HZ LYS A 33 -13.808 18.749 -2.736 1.00 0.00 H ATOM 519 2HZ LYS A 33 -13.394 17.731 -3.967 1.00 0.00 H ATOM 520 3HZ LYS A 33 -13.635 17.134 -2.449 1.00 0.00 H ATOM 521 N LEU A 34 -6.158 14.331 -4.113 1.00 0.00 N ATOM 522 CA LEU A 34 -5.374 13.119 -4.322 1.00 0.00 C ATOM 523 C LEU A 34 -4.000 13.233 -3.673 1.00 0.00 C ATOM 524 O LEU A 34 -3.543 12.310 -2.999 1.00 0.00 O ATOM 525 CB LEU A 34 -5.216 12.843 -5.823 1.00 0.00 C ATOM 526 CG LEU A 34 -4.354 11.627 -6.188 1.00 0.00 C ATOM 527 CD1 LEU A 34 -4.971 10.369 -5.591 1.00 0.00 C ATOM 528 CD2 LEU A 34 -4.246 11.518 -7.701 1.00 0.00 C ATOM 529 H LEU A 34 -6.455 14.869 -4.914 1.00 0.00 H ATOM 530 HA LEU A 34 -5.905 12.281 -3.871 1.00 0.00 H ATOM 531 1HB LEU A 34 -6.204 12.690 -6.253 1.00 0.00 H ATOM 532 2HB LEU A 34 -4.769 13.719 -6.292 1.00 0.00 H ATOM 533 HG LEU A 34 -3.358 11.745 -5.760 1.00 0.00 H ATOM 534 1HD1 LEU A 34 -4.359 9.506 -5.850 1.00 0.00 H ATOM 535 2HD1 LEU A 34 -5.019 10.467 -4.506 1.00 0.00 H ATOM 536 3HD1 LEU A 34 -5.976 10.234 -5.988 1.00 0.00 H ATOM 537 1HD2 LEU A 34 -3.633 10.654 -7.961 1.00 0.00 H ATOM 538 2HD2 LEU A 34 -5.242 11.398 -8.130 1.00 0.00 H ATOM 539 3HD2 LEU A 34 -3.786 12.422 -8.100 1.00 0.00 H ATOM 540 N LEU A 35 -3.346 14.371 -3.880 1.00 0.00 N ATOM 541 CA LEU A 35 -2.015 14.601 -3.332 1.00 0.00 C ATOM 542 C LEU A 35 -2.020 14.495 -1.812 1.00 0.00 C ATOM 543 O LEU A 35 -1.171 13.826 -1.224 1.00 0.00 O ATOM 544 CB LEU A 35 -1.499 15.982 -3.753 1.00 0.00 C ATOM 545 CG LEU A 35 -0.069 16.320 -3.314 1.00 0.00 C ATOM 546 CD1 LEU A 35 0.909 15.368 -3.990 1.00 0.00 C ATOM 547 CD2 LEU A 35 0.243 17.767 -3.669 1.00 0.00 C ATOM 548 H LEU A 35 -3.783 15.096 -4.432 1.00 0.00 H ATOM 549 HA LEU A 35 -1.340 13.843 -3.732 1.00 0.00 H ATOM 550 1HB LEU A 35 -1.537 16.051 -4.839 1.00 0.00 H ATOM 551 2HB LEU A 35 -2.161 16.742 -3.338 1.00 0.00 H ATOM 552 HG LEU A 35 0.023 16.183 -2.236 1.00 0.00 H ATOM 553 1HD1 LEU A 35 1.925 15.608 -3.678 1.00 0.00 H ATOM 554 2HD1 LEU A 35 0.675 14.343 -3.703 1.00 0.00 H ATOM 555 3HD1 LEU A 35 0.828 15.471 -5.071 1.00 0.00 H ATOM 556 1HD2 LEU A 35 1.260 18.007 -3.356 1.00 0.00 H ATOM 557 2HD2 LEU A 35 0.153 17.905 -4.746 1.00 0.00 H ATOM 558 3HD2 LEU A 35 -0.459 18.426 -3.158 1.00 0.00 H ATOM 559 N LYS A 36 -2.983 15.160 -1.181 1.00 0.00 N ATOM 560 CA LYS A 36 -3.113 15.124 0.271 1.00 0.00 C ATOM 561 C LYS A 36 -3.451 13.721 0.759 1.00 0.00 C ATOM 562 O LYS A 36 -2.914 13.258 1.765 1.00 0.00 O ATOM 563 CB LYS A 36 -4.182 16.114 0.737 1.00 0.00 C ATOM 564 CG LYS A 36 -3.789 17.578 0.591 1.00 0.00 C ATOM 565 CD LYS A 36 -4.919 18.500 1.023 1.00 0.00 C ATOM 566 CE LYS A 36 -4.537 19.963 0.856 1.00 0.00 C ATOM 567 NZ LYS A 36 -5.646 20.876 1.243 1.00 0.00 N ATOM 568 H LYS A 36 -3.641 15.703 -1.721 1.00 0.00 H ATOM 569 HA LYS A 36 -2.163 15.428 0.711 1.00 0.00 H ATOM 570 1HB LYS A 36 -5.098 15.955 0.168 1.00 0.00 H ATOM 571 2HB LYS A 36 -4.412 15.933 1.787 1.00 0.00 H ATOM 572 1HG LYS A 36 -2.910 17.783 1.204 1.00 0.00 H ATOM 573 2HG LYS A 36 -3.540 17.786 -0.450 1.00 0.00 H ATOM 574 1HD LYS A 36 -5.807 18.294 0.423 1.00 0.00 H ATOM 575 2HD LYS A 36 -5.160 18.315 2.070 1.00 0.00 H ATOM 576 1HE LYS A 36 -3.668 20.184 1.474 1.00 0.00 H ATOM 577 2HE LYS A 36 -4.274 20.154 -0.184 1.00 0.00 H ATOM 578 1HZ LYS A 36 -5.353 21.835 1.118 1.00 0.00 H ATOM 579 2HZ LYS A 36 -6.453 20.692 0.663 1.00 0.00 H ATOM 580 3HZ LYS A 36 -5.887 20.722 2.212 1.00 0.00 H ATOM 581 N TYR A 37 -4.343 13.049 0.040 1.00 0.00 N ATOM 582 CA TYR A 37 -4.707 11.674 0.362 1.00 0.00 C ATOM 583 C TYR A 37 -3.496 10.752 0.288 1.00 0.00 C ATOM 584 O TYR A 37 -3.290 9.912 1.164 1.00 0.00 O ATOM 585 CB TYR A 37 -5.809 11.178 -0.578 1.00 0.00 C ATOM 586 CG TYR A 37 -6.292 9.779 -0.266 1.00 0.00 C ATOM 587 CD1 TYR A 37 -7.079 9.550 0.853 1.00 0.00 C ATOM 588 CD2 TYR A 37 -5.949 8.725 -1.100 1.00 0.00 C ATOM 589 CE1 TYR A 37 -7.521 8.272 1.137 1.00 0.00 C ATOM 590 CE2 TYR A 37 -6.390 7.447 -0.815 1.00 0.00 C ATOM 591 CZ TYR A 37 -7.173 7.220 0.298 1.00 0.00 C ATOM 592 OH TYR A 37 -7.613 5.947 0.581 1.00 0.00 O ATOM 593 H TYR A 37 -4.781 13.501 -0.750 1.00 0.00 H ATOM 594 HA TYR A 37 -5.104 11.649 1.377 1.00 0.00 H ATOM 595 1HB TYR A 37 -6.664 11.853 -0.525 1.00 0.00 H ATOM 596 2HB TYR A 37 -5.444 11.191 -1.605 1.00 0.00 H ATOM 597 HD1 TYR A 37 -7.349 10.379 1.508 1.00 0.00 H ATOM 598 HD2 TYR A 37 -5.329 8.904 -1.979 1.00 0.00 H ATOM 599 HE1 TYR A 37 -8.139 8.093 2.016 1.00 0.00 H ATOM 600 HE2 TYR A 37 -6.120 6.618 -1.470 1.00 0.00 H ATOM 601 HH TYR A 37 -8.143 5.964 1.382 1.00 0.00 H ATOM 602 N ALA A 38 -2.698 10.914 -0.761 1.00 0.00 N ATOM 603 CA ALA A 38 -1.489 10.118 -0.935 1.00 0.00 C ATOM 604 C ALA A 38 -0.536 10.301 0.240 1.00 0.00 C ATOM 605 O ALA A 38 0.099 9.348 0.690 1.00 0.00 O ATOM 606 CB ALA A 38 -0.797 10.484 -2.240 1.00 0.00 C ATOM 607 H ALA A 38 -2.935 11.607 -1.457 1.00 0.00 H ATOM 608 HA ALA A 38 -1.772 9.067 -0.994 1.00 0.00 H ATOM 609 1HB ALA A 38 0.104 9.881 -2.355 1.00 0.00 H ATOM 610 2HB ALA A 38 -1.470 10.292 -3.075 1.00 0.00 H ATOM 611 3HB ALA A 38 -0.527 11.539 -2.225 1.00 0.00 H ATOM 612 N GLN A 39 -0.441 11.532 0.731 1.00 0.00 N ATOM 613 CA GLN A 39 0.392 11.831 1.891 1.00 0.00 C ATOM 614 C GLN A 39 -0.133 11.136 3.140 1.00 0.00 C ATOM 615 O GLN A 39 0.643 10.659 3.968 1.00 0.00 O ATOM 616 CB GLN A 39 0.461 13.343 2.124 1.00 0.00 C ATOM 617 CG GLN A 39 1.407 13.758 3.238 1.00 0.00 C ATOM 618 CD GLN A 39 2.851 13.408 2.931 1.00 0.00 C ATOM 619 OE1 GLN A 39 3.379 13.763 1.873 1.00 0.00 O ATOM 620 NE2 GLN A 39 3.499 12.708 3.855 1.00 0.00 N ATOM 621 H GLN A 39 -0.958 12.279 0.291 1.00 0.00 H ATOM 622 HA GLN A 39 1.403 11.476 1.691 1.00 0.00 H ATOM 623 1HB GLN A 39 0.782 13.839 1.208 1.00 0.00 H ATOM 624 2HB GLN A 39 -0.532 13.719 2.370 1.00 0.00 H ATOM 625 1HG GLN A 39 1.339 14.837 3.376 1.00 0.00 H ATOM 626 2HG GLN A 39 1.119 13.245 4.156 1.00 0.00 H ATOM 627 1HE2 GLN A 39 4.454 12.448 3.708 1.00 0.00 H ATOM 628 2HE2 GLN A 39 3.033 12.441 4.699 1.00 0.00 H ATOM 629 N LYS A 40 -1.454 11.080 3.270 1.00 0.00 N ATOM 630 CA LYS A 40 -2.087 10.362 4.370 1.00 0.00 C ATOM 631 C LYS A 40 -1.765 8.874 4.313 1.00 0.00 C ATOM 632 O LYS A 40 -1.615 8.222 5.346 1.00 0.00 O ATOM 633 CB LYS A 40 -3.601 10.574 4.347 1.00 0.00 C ATOM 634 CG LYS A 40 -4.044 11.986 4.709 1.00 0.00 C ATOM 635 CD LYS A 40 -5.554 12.136 4.599 1.00 0.00 C ATOM 636 CE LYS A 40 -5.996 13.554 4.931 1.00 0.00 C ATOM 637 NZ LYS A 40 -7.468 13.723 4.802 1.00 0.00 N ATOM 638 H LYS A 40 -2.035 11.548 2.589 1.00 0.00 H ATOM 639 HA LYS A 40 -1.709 10.766 5.309 1.00 0.00 H ATOM 640 1HB LYS A 40 -3.986 10.347 3.352 1.00 0.00 H ATOM 641 2HB LYS A 40 -4.076 9.885 5.046 1.00 0.00 H ATOM 642 1HG LYS A 40 -3.738 12.213 5.731 1.00 0.00 H ATOM 643 2HG LYS A 40 -3.567 12.700 4.039 1.00 0.00 H ATOM 644 1HD LYS A 40 -5.871 11.894 3.584 1.00 0.00 H ATOM 645 2HD LYS A 40 -6.040 11.444 5.288 1.00 0.00 H ATOM 646 1HE LYS A 40 -5.703 13.796 5.952 1.00 0.00 H ATOM 647 2HE LYS A 40 -5.502 14.255 4.259 1.00 0.00 H ATOM 648 1HZ LYS A 40 -7.720 14.675 5.029 1.00 0.00 H ATOM 649 2HZ LYS A 40 -7.749 13.519 3.853 1.00 0.00 H ATOM 650 3HZ LYS A 40 -7.937 13.091 5.435 1.00 0.00 H ATOM 651 N LEU A 41 -1.661 8.342 3.100 1.00 0.00 N ATOM 652 CA LEU A 41 -1.240 6.960 2.903 1.00 0.00 C ATOM 653 C LEU A 41 0.227 6.774 3.268 1.00 0.00 C ATOM 654 O LEU A 41 0.617 5.737 3.803 1.00 0.00 O ATOM 655 CB LEU A 41 -1.468 6.539 1.446 1.00 0.00 C ATOM 656 CG LEU A 41 -2.932 6.490 0.989 1.00 0.00 C ATOM 657 CD1 LEU A 41 -2.989 6.202 -0.505 1.00 0.00 C ATOM 658 CD2 LEU A 41 -3.675 5.425 1.780 1.00 0.00 C ATOM 659 H LEU A 41 -1.880 8.910 2.293 1.00 0.00 H ATOM 660 HA LEU A 41 -1.844 6.319 3.546 1.00 0.00 H ATOM 661 1HB LEU A 41 -0.942 7.237 0.796 1.00 0.00 H ATOM 662 2HB LEU A 41 -1.042 5.547 1.300 1.00 0.00 H ATOM 663 HG LEU A 41 -3.399 7.461 1.159 1.00 0.00 H ATOM 664 1HD1 LEU A 41 -4.029 6.167 -0.830 1.00 0.00 H ATOM 665 2HD1 LEU A 41 -2.466 6.990 -1.048 1.00 0.00 H ATOM 666 3HD1 LEU A 41 -2.513 5.243 -0.709 1.00 0.00 H ATOM 667 1HD2 LEU A 41 -4.716 5.390 1.456 1.00 0.00 H ATOM 668 2HD2 LEU A 41 -3.210 4.454 1.609 1.00 0.00 H ATOM 669 3HD2 LEU A 41 -3.634 5.665 2.842 1.00 0.00 H ATOM 670 N LEU A 42 1.037 7.786 2.975 1.00 0.00 N ATOM 671 CA LEU A 42 2.459 7.746 3.295 1.00 0.00 C ATOM 672 C LEU A 42 2.689 7.859 4.796 1.00 0.00 C ATOM 673 O LEU A 42 3.635 7.283 5.334 1.00 0.00 O ATOM 674 CB LEU A 42 3.197 8.879 2.571 1.00 0.00 C ATOM 675 CG LEU A 42 3.296 8.742 1.047 1.00 0.00 C ATOM 676 CD1 LEU A 42 3.845 10.033 0.455 1.00 0.00 C ATOM 677 CD2 LEU A 42 4.188 7.559 0.700 1.00 0.00 C ATOM 678 H LEU A 42 0.658 8.604 2.519 1.00 0.00 H ATOM 679 HA LEU A 42 2.865 6.794 2.950 1.00 0.00 H ATOM 680 1HB LEU A 42 2.689 9.818 2.787 1.00 0.00 H ATOM 681 2HB LEU A 42 4.212 8.940 2.965 1.00 0.00 H ATOM 682 HG LEU A 42 2.301 8.581 0.631 1.00 0.00 H ATOM 683 1HD1 LEU A 42 3.915 9.936 -0.629 1.00 0.00 H ATOM 684 2HD1 LEU A 42 3.177 10.859 0.701 1.00 0.00 H ATOM 685 3HD1 LEU A 42 4.834 10.230 0.865 1.00 0.00 H ATOM 686 1HD2 LEU A 42 4.258 7.461 -0.384 1.00 0.00 H ATOM 687 2HD2 LEU A 42 5.183 7.720 1.114 1.00 0.00 H ATOM 688 3HD2 LEU A 42 3.763 6.647 1.120 1.00 0.00 H ATOM 689 N ASN A 43 1.819 8.605 5.469 1.00 0.00 N ATOM 690 CA ASN A 43 1.939 8.813 6.907 1.00 0.00 C ATOM 691 C ASN A 43 1.618 7.537 7.676 1.00 0.00 C ATOM 692 O ASN A 43 0.822 6.714 7.226 1.00 0.00 O ATOM 693 OXT ASN A 43 2.145 7.326 8.733 1.00 0.00 O ATOM 694 CB ASN A 43 1.040 9.949 7.359 1.00 0.00 C ATOM 695 CG ASN A 43 1.445 11.274 6.775 1.00 0.00 C ATOM 696 OD1 ASN A 43 2.608 11.473 6.405 1.00 0.00 O ATOM 697 ND2 ASN A 43 0.509 12.183 6.685 1.00 0.00 N ATOM 698 H ASN A 43 1.056 9.040 4.970 1.00 0.00 H ATOM 699 HA ASN A 43 2.965 9.107 7.130 1.00 0.00 H ATOM 700 1HB ASN A 43 0.010 9.737 7.068 1.00 0.00 H ATOM 701 2HB ASN A 43 1.064 10.022 8.446 1.00 0.00 H ATOM 702 1HD2 ASN A 43 0.721 13.084 6.305 1.00 0.00 H ATOM 703 2HD2 ASN A 43 -0.418 11.979 6.997 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE nods_new_heeh_25.bp_pass_20151104081059_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_intra_sol_xover4 lk_ball_wtd fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 rama omega fa_dun p_aa_pp yhh_planarity ref total weights 1 0.55 1 0.005 1 1 1 1.25 1.17 1.17 1.17 1.1 1.25 0.25 0.625 0.7 0.4 0.625 1 NA pose -203.444 21.0538 87.0192 0.48196 7.04267 -2.15642 -17.2936 0 -21.2381 -3.25842 -2.65417 -6.18942 0 -6.13023 2.42944 48.4487 -8.55988 0.00026 9.36603 -95.0823 SER:NtermProteinFull_1 -2.55767 0.12639 2.12472 0.0027 0.05034 -0.09341 -0.48245 0 0 0 -0.74459 0 0 0 0.00177 0.96329 0 0 0.5 -0.10891 LYS_2 -3.50623 0.32038 1.82508 0.00835 0.1179 -0.05997 -0.49725 0 0 0 0 0 0 -0.26487 0.06182 1.24592 -0.06103 0 -0.47142 -1.28132 ASP_3 -2.70728 0.16407 2.36223 0.00361 0.23508 -0.04343 -0.21828 0 0 0 0 0 0 -0.08165 0.1438 1.63332 0.07152 0 -2.00354 -0.44055 ALA_4 -4.30948 0.34464 1.75536 0.00084 0 -0.06621 -0.25926 0 0 0 -0.74459 0 0 -0.27468 0.0063 0 -0.23737 0 1.56209 -2.22237 ALA_5 -5.38904 0.49406 1.62671 0.00084 0 -0.00721 -0.53632 0 0 0 0 0 0 -0.2764 0.02067 0 -0.22872 0 1.56209 -2.73331 GLN_6 -5.59923 0.32659 3.93593 0.0086 0.58256 -0.18376 -0.79074 0 0 0 0 -0.48463 0 -0.19797 0.34305 2.63486 -0.1579 0 -1.60738 -1.19002 TYR_7 -5.7231 0.50534 2.69772 0.02689 0.17952 -0.13158 -0.34923 0 0 0 0 0 0 0.08327 0.07807 1.53871 -0.16941 0.00026 0.21729 -1.04626 VAL_8 -6.67131 1.17013 0.47287 0.0191 0.02468 0 -0.48088 0 0 0 0 0 0 0.06415 0.00101 0.00068 0.00161 0 2.2876 -3.11036 TYR_9 -7.81067 0.76834 2.67874 0.0277 0.17536 -0.02419 -0.69307 0 0 0 0 0 0 0.12219 0.02191 1.84264 -0.19769 0 0.21729 -2.87145 ASP_10 -4.93633 0.20956 4.38261 0.00343 0.23807 -0.0522 -0.89092 0 0 0 0 -0.48463 0 -0.06013 0.04401 1.76867 0.06411 0 -2.00354 -1.71729 GLU_11 -6.86232 0.68574 4.5917 0.00648 0.62923 0.00548 -1.88806 0 0 0 0 -0.6027 0 -0.30722 0.05476 2.97948 -0.18901 0 -2.28137 -3.17781 ALA_12 -5.91212 0.70302 1.76959 0.00082 0 -0.00391 -0.46751 0 0 0 0 0 0 -0.20979 0.04219 0 -0.237 0 1.56209 -2.75262 GLN_13 -3.65301 0.46505 2.11132 0.01013 0.63982 -0.09326 -0.055 0 0 0 0 0 0 -0.21689 0.0075 2.4951 -0.16058 0 -1.60738 -0.05722 LYS_14 -3.80226 0.38154 3.10708 0.00685 0.08677 0.04077 -1.52291 0 0 0 0 -0.6027 0 -0.25681 0.00764 0.91895 -0.0144 0 -0.47142 -2.1209 GLY_15 -2.3601 0.40727 1.50313 2e-05 0 -0.01607 0.00609 0 0 0 0 0 0 -0.19551 0.01948 0 -1.00727 0 0.8121 -0.83086 VAL_16 -4.88743 0.74502 1.26659 0.01681 0.02101 0.04345 -0.03132 0 0 0 0 0 0 -0.3431 0.03477 0.01733 -0.21152 0 2.2876 -1.04078 THR_17 -3.59397 0.15826 1.56498 0.00539 0.04883 -0.09477 -0.54961 0 0 0 0 0 0 -0.18773 0.00479 0.03117 -0.31831 0 0.72083 -2.21012 GLN_18 -3.71156 0.28698 1.56519 0.00947 0.19897 -0.24771 -0.22065 0 0 0 0 0 0 0.1269 0.0035 2.59799 -0.08261 0 -1.60738 -1.08091 VAL_19 -4.6439 0.62373 0.06598 0.02412 0.0326 -0.01488 -0.58045 0 0 0 0 0 0 -0.1158 0.03524 0.94437 -0.34237 0 2.2876 -1.68377 THR_20 -2.74947 0.22031 1.29597 0.00883 0.03649 0.03901 -0.646 0 0 0 0 -0.59155 0 -0.03959 0.01492 0.0614 -0.14316 0 0.72083 -1.77201 VAL_21 -4.55352 0.77298 0.36583 0.023 0.03198 -0.01864 -0.64311 0 0 0 0 0 0 0.13378 0.04371 0.21941 -0.05315 0 2.2876 -1.39011 ASN_22 -1.76784 0.36618 0.72795 0.00881 0.52726 -0.11113 0.04783 0 0 0 0 0 0 -0.37087 0.11911 2.14964 -0.57674 0 -1.09912 0.02107 GLY_23 -1.0609 0.20106 0.69372 1e-05 0 -0.01415 0.34894 0 0 0 0 0 0 -0.48284 0.02558 0 -0.9753 0 0.8121 -0.45179 VAL_24 -4.2622 0.40636 1.64141 0.01572 0.01978 -0.04781 -0.22649 0 0 0 0 0 0 -0.27429 0.00017 0.06432 -0.50477 0 2.2876 -0.8802 THR_25 -3.12635 0.14939 1.24596 0.01024 0.03552 0.10224 -0.71654 0 0 0 0 -0.59155 0 -0.07384 0.00052 0.10682 -0.03661 0 0.72083 -2.17339 PHE_26 -7.07354 0.80013 0.11583 0.0317 0.20585 -0.01481 -0.69848 0 0 0 0 0 0 0.10541 0.15044 1.86045 -0.59607 0 0.45595 -4.65716 LYS_27 -3.2208 0.25102 1.41778 0.00884 0.1039 -0.25137 -0.22084 0 0 0 0 0 0 -0.03644 0.24862 0.99302 0.09588 0 -0.47142 -1.08181 PHE_28 -6.40248 0.75044 1.58542 0.02921 0.14359 -0.05596 -0.35183 0 0 0 0 0 0 -0.18182 0.04286 2.5594 -0.21491 0 0.45595 -1.64012 ASP_29 -0.8156 0.04772 0.70281 0.00408 0.26329 -0.05606 -0.1195 0 0 0 0 0 0 -0.33553 0.00272 2.21818 -0.30783 0 -2.00354 -0.39926 ASN_30 -5.35219 0.7871 3.99081 0.00913 0.36259 0.05777 -0.58163 0 0 0 -0.58249 -0.74867 0 0.22995 0.04246 1.91373 -0.23571 0 -1.09912 -1.20628 TRP_31 -7.82591 0.61483 2.89802 0.02782 0.34164 -0.07264 -0.16266 0 0 0 0 0 0 -0.14909 0.07639 1.16203 -0.23308 0 1.56226 -1.76038 GLN_32 -5.61 0.73939 3.4724 0.00542 0.15879 0.04659 -0.56846 0 0 0 -0.58249 -0.74867 0 -0.21566 0.07361 2.49739 -0.16873 0 -1.60738 -2.5078 LYS_33 -4.46659 0.19946 2.69459 0.00635 0.07323 -0.05958 -0.10908 0 0 0 0 0 0 -0.26697 0.20448 0.95288 -0.03716 0 -0.47142 -1.2798 LEU_34 -8.01285 1.31241 0.93749 0.01558 0.06958 0 -0.3204 0 0 0 0 0 0 -0.09125 0.00507 0.56987 -0.14626 0 1.68043 -3.98035 LEU_35 -7.13642 0.72899 1.64008 0.01427 0.05621 -0.07865 -0.42518 0 0 0 0 0 0 -0.05344 0.00633 0.69893 -0.13946 0 1.68043 -3.00791 LYS_36 -3.99803 0.23219 2.91416 0.00633 0.07247 -0.01544 -0.35774 0 0 0 0 0 0 -0.2521 0.0547 1.00249 -0.05512 0 -0.47142 -0.86752 TYR_37 -6.2516 0.62552 2.28301 0.02608 0.19952 -0.01803 -0.40579 0 0 0 0 0 0 -0.08924 0.01338 1.81125 0.04381 0 0.21729 -1.54479 ALA_38 -5.73776 0.75469 1.77707 0.00083 0 -0.00298 -0.53052 0 0 0 0 0 0 -0.23275 0.04367 0 -0.24898 0 1.56209 -2.61465 GLN_39 -6.15508 0.49483 4.20361 0.0096 0.64629 -0.05807 -0.57996 0 0 0 0 -0.66715 0 -0.2129 0.11877 2.44524 -0.17562 0 -1.60738 -1.53781 LYS_40 -4.2082 0.28922 2.97621 0.00641 0.07538 -0.09877 0.07213 0 0 0 0 0 0 -0.30611 0.19413 0.94596 -0.05253 0 -0.47142 -0.57761 LEU_41 -4.85084 0.66428 1.16935 0.01398 0.0296 -0.00607 0.06367 0 0 0 0 0 0 -0.16465 0.00873 0.27132 -0.16048 0 1.68043 -1.28067 LEU_42 -6.76204 0.56899 1.53144 0.01309 0.03029 -0.29668 0.13656 0 0 0 0 0 0 -0.17795 0.00679 0.20559 -0.15995 0 1.68043 -3.22345 ASN:CtermProteinFull_43 -3.40685 0.1902 3.33077 0.00448 0.29869 -0.08231 0.20927 0 0 0 0 -0.66715 0 0 0 2.12685 0 0 -1.09912 0.90484 #END_POSE_ENERGIES_TABLE nods_new_heeh_25.bp_pass_20151104081059_0001.pdb AlaCount 4 bb -0.0757595 buried_minus_exposed 3828.54 buried_np 5376.77 buried_over_exposed 3.47282 cavity_volume 0 contact_all 308 contact_core_SASA 308 contact_core_SCN 308 degree 9.97674 exposed_hydrophobics 1548.23 exposed_polars 1524.11 exposed_total 3072.34 fxn_exposed_is_np 0.503926 holes -0.149537 mismatch_probability 0.256214 pack 0.675597 percent_core_SASA 0.0697512 percent_core_SCN 0.162753 res_count_core_SASA 3 res_count_core_SCN 7 sidechain_neighbors -93.373 ss_sc 0.803587 unsat_hbond 3
HEEH_rd3_0055.pdb
ATOM 1 N THR A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA THR A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C THR A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O THR A 1 1.281 2.378 0.260 1.00 0.00 O ATOM 5 CB THR A 1 2.012 -0.770 -1.213 1.00 0.00 C ATOM 6 OG1 THR A 1 3.430 -0.928 -1.074 1.00 0.00 O ATOM 7 CG2 THR A 1 1.713 -0.020 -2.502 1.00 0.00 C ATOM 8 1H THR A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 9 2H THR A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 10 3H THR A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 11 HA THR A 1 1.804 -0.509 0.900 1.00 0.00 H ATOM 12 HB THR A 1 1.553 -1.757 -1.258 1.00 0.00 H ATOM 13 HG1 THR A 1 3.673 -1.833 -1.284 1.00 0.00 H ATOM 14 1HG2 THR A 1 2.112 -0.579 -3.349 1.00 0.00 H ATOM 15 2HG2 THR A 1 0.635 0.092 -2.616 1.00 0.00 H ATOM 16 3HG2 THR A 1 2.178 0.964 -2.467 1.00 0.00 H ATOM 17 N ILE A 2 3.298 1.549 -0.293 1.00 0.00 N ATOM 18 CA ILE A 2 3.959 2.849 -0.289 1.00 0.00 C ATOM 19 C ILE A 2 3.424 3.742 -1.402 1.00 0.00 C ATOM 20 O ILE A 2 3.128 4.916 -1.180 1.00 0.00 O ATOM 21 CB ILE A 2 5.482 2.692 -0.444 1.00 0.00 C ATOM 22 CG1 ILE A 2 6.079 2.029 0.801 1.00 0.00 C ATOM 23 CG2 ILE A 2 6.134 4.043 -0.696 1.00 0.00 C ATOM 24 CD1 ILE A 2 7.516 1.590 0.629 1.00 0.00 C ATOM 25 H ILE A 2 3.835 0.726 -0.525 1.00 0.00 H ATOM 26 HA ILE A 2 3.766 3.332 0.670 1.00 0.00 H ATOM 27 HB ILE A 2 5.697 2.033 -1.285 1.00 0.00 H ATOM 28 1HG1 ILE A 2 6.032 2.722 1.640 1.00 0.00 H ATOM 29 2HG1 ILE A 2 5.486 1.154 1.067 1.00 0.00 H ATOM 30 1HG2 ILE A 2 7.211 3.913 -0.802 1.00 0.00 H ATOM 31 2HG2 ILE A 2 5.729 4.477 -1.609 1.00 0.00 H ATOM 32 3HG2 ILE A 2 5.929 4.707 0.144 1.00 0.00 H ATOM 33 1HD1 ILE A 2 7.868 1.130 1.552 1.00 0.00 H ATOM 34 2HD1 ILE A 2 7.581 0.868 -0.185 1.00 0.00 H ATOM 35 3HD1 ILE A 2 8.135 2.456 0.397 1.00 0.00 H ATOM 36 N GLU A 3 3.304 3.179 -2.599 1.00 0.00 N ATOM 37 CA GLU A 3 2.714 3.892 -3.726 1.00 0.00 C ATOM 38 C GLU A 3 1.376 4.513 -3.346 1.00 0.00 C ATOM 39 O GLU A 3 1.048 5.617 -3.779 1.00 0.00 O ATOM 40 CB GLU A 3 2.531 2.949 -4.917 1.00 0.00 C ATOM 41 CG GLU A 3 2.008 3.624 -6.178 1.00 0.00 C ATOM 42 CD GLU A 3 1.907 2.682 -7.346 1.00 0.00 C ATOM 43 OE1 GLU A 3 2.243 1.533 -7.189 1.00 0.00 O ATOM 44 OE2 GLU A 3 1.493 3.113 -8.396 1.00 0.00 O ATOM 45 H GLU A 3 3.629 2.232 -2.732 1.00 0.00 H ATOM 46 HA GLU A 3 3.396 4.689 -4.026 1.00 0.00 H ATOM 47 1HB GLU A 3 3.484 2.479 -5.160 1.00 0.00 H ATOM 48 2HB GLU A 3 1.833 2.156 -4.649 1.00 0.00 H ATOM 49 1HG GLU A 3 1.021 4.038 -5.973 1.00 0.00 H ATOM 50 2HG GLU A 3 2.671 4.448 -6.438 1.00 0.00 H ATOM 51 N ASP A 4 0.607 3.796 -2.533 1.00 0.00 N ATOM 52 CA ASP A 4 -0.699 4.273 -2.096 1.00 0.00 C ATOM 53 C ASP A 4 -0.562 5.365 -1.043 1.00 0.00 C ATOM 54 O ASP A 4 -1.349 6.312 -1.010 1.00 0.00 O ATOM 55 CB ASP A 4 -1.533 3.118 -1.536 1.00 0.00 C ATOM 56 CG ASP A 4 -1.880 2.073 -2.589 1.00 0.00 C ATOM 57 OD1 ASP A 4 -2.354 2.447 -3.635 1.00 0.00 O ATOM 58 OD2 ASP A 4 -1.667 0.912 -2.336 1.00 0.00 O ATOM 59 H ASP A 4 0.936 2.897 -2.211 1.00 0.00 H ATOM 60 HA ASP A 4 -1.225 4.684 -2.959 1.00 0.00 H ATOM 61 1HB ASP A 4 -0.985 2.631 -0.729 1.00 0.00 H ATOM 62 2HB ASP A 4 -2.459 3.509 -1.114 1.00 0.00 H ATOM 63 N ALA A 5 0.441 5.228 -0.183 1.00 0.00 N ATOM 64 CA ALA A 5 0.759 6.262 0.795 1.00 0.00 C ATOM 65 C ALA A 5 1.118 7.575 0.111 1.00 0.00 C ATOM 66 O ALA A 5 0.775 8.653 0.596 1.00 0.00 O ATOM 67 CB ALA A 5 1.898 5.807 1.696 1.00 0.00 C ATOM 68 H ALA A 5 0.998 4.386 -0.207 1.00 0.00 H ATOM 69 HA ALA A 5 -0.116 6.424 1.425 1.00 0.00 H ATOM 70 1HB ALA A 5 2.123 6.590 2.420 1.00 0.00 H ATOM 71 2HB ALA A 5 1.604 4.899 2.223 1.00 0.00 H ATOM 72 3HB ALA A 5 2.781 5.606 1.092 1.00 0.00 H ATOM 73 N ILE A 6 1.810 7.478 -1.019 1.00 0.00 N ATOM 74 CA ILE A 6 2.172 8.655 -1.800 1.00 0.00 C ATOM 75 C ILE A 6 0.934 9.356 -2.345 1.00 0.00 C ATOM 76 O ILE A 6 0.785 10.570 -2.207 1.00 0.00 O ATOM 77 CB ILE A 6 3.104 8.276 -2.965 1.00 0.00 C ATOM 78 CG1 ILE A 6 4.456 7.796 -2.433 1.00 0.00 C ATOM 79 CG2 ILE A 6 3.287 9.458 -3.905 1.00 0.00 C ATOM 80 CD1 ILE A 6 5.313 7.110 -3.472 1.00 0.00 C ATOM 81 H ILE A 6 2.093 6.565 -1.346 1.00 0.00 H ATOM 82 HA ILE A 6 2.709 9.348 -1.151 1.00 0.00 H ATOM 83 HB ILE A 6 2.671 7.445 -3.521 1.00 0.00 H ATOM 84 1HG1 ILE A 6 5.013 8.645 -2.037 1.00 0.00 H ATOM 85 2HG1 ILE A 6 4.297 7.099 -1.610 1.00 0.00 H ATOM 86 1HG2 ILE A 6 3.949 9.173 -4.723 1.00 0.00 H ATOM 87 2HG2 ILE A 6 2.320 9.755 -4.308 1.00 0.00 H ATOM 88 3HG2 ILE A 6 3.725 10.293 -3.358 1.00 0.00 H ATOM 89 1HD1 ILE A 6 6.255 6.798 -3.019 1.00 0.00 H ATOM 90 2HD1 ILE A 6 4.788 6.235 -3.857 1.00 0.00 H ATOM 91 3HD1 ILE A 6 5.516 7.801 -4.289 1.00 0.00 H ATOM 92 N LYS A 7 0.048 8.584 -2.965 1.00 0.00 N ATOM 93 CA LYS A 7 -1.168 9.133 -3.553 1.00 0.00 C ATOM 94 C LYS A 7 -2.047 9.783 -2.493 1.00 0.00 C ATOM 95 O LYS A 7 -2.509 10.912 -2.663 1.00 0.00 O ATOM 96 CB LYS A 7 -1.949 8.041 -4.286 1.00 0.00 C ATOM 97 CG LYS A 7 -1.284 7.541 -5.562 1.00 0.00 C ATOM 98 CD LYS A 7 -2.087 6.416 -6.199 1.00 0.00 C ATOM 99 CE LYS A 7 -1.404 5.889 -7.452 1.00 0.00 C ATOM 100 NZ LYS A 7 -2.158 4.761 -8.064 1.00 0.00 N ATOM 101 H LYS A 7 0.222 7.591 -3.031 1.00 0.00 H ATOM 102 HA LYS A 7 -0.887 9.889 -4.287 1.00 0.00 H ATOM 103 1HB LYS A 7 -2.087 7.185 -3.624 1.00 0.00 H ATOM 104 2HB LYS A 7 -2.938 8.415 -4.548 1.00 0.00 H ATOM 105 1HG LYS A 7 -1.199 8.363 -6.274 1.00 0.00 H ATOM 106 2HG LYS A 7 -0.283 7.177 -5.333 1.00 0.00 H ATOM 107 1HD LYS A 7 -2.199 5.600 -5.485 1.00 0.00 H ATOM 108 2HD LYS A 7 -3.079 6.782 -6.465 1.00 0.00 H ATOM 109 1HE LYS A 7 -1.317 6.691 -8.184 1.00 0.00 H ATOM 110 2HE LYS A 7 -0.401 5.545 -7.202 1.00 0.00 H ATOM 111 1HZ LYS A 7 -1.673 4.441 -8.891 1.00 0.00 H ATOM 112 2HZ LYS A 7 -2.229 4.003 -7.400 1.00 0.00 H ATOM 113 3HZ LYS A 7 -3.084 5.074 -8.318 1.00 0.00 H ATOM 114 N LYS A 8 -2.275 9.066 -1.398 1.00 0.00 N ATOM 115 CA LYS A 8 -3.087 9.578 -0.302 1.00 0.00 C ATOM 116 C LYS A 8 -2.446 10.807 0.332 1.00 0.00 C ATOM 117 O LYS A 8 -3.122 11.796 0.613 1.00 0.00 O ATOM 118 CB LYS A 8 -3.304 8.494 0.756 1.00 0.00 C ATOM 119 CG LYS A 8 -4.223 7.362 0.316 1.00 0.00 C ATOM 120 CD LYS A 8 -4.354 6.304 1.402 1.00 0.00 C ATOM 121 CE LYS A 8 -5.246 5.156 0.952 1.00 0.00 C ATOM 122 NZ LYS A 8 -5.364 4.101 1.995 1.00 0.00 N ATOM 123 H LYS A 8 -1.875 8.141 -1.324 1.00 0.00 H ATOM 124 HA LYS A 8 -4.065 9.858 -0.696 1.00 0.00 H ATOM 125 1HB LYS A 8 -2.344 8.058 1.033 1.00 0.00 H ATOM 126 2HB LYS A 8 -3.731 8.942 1.653 1.00 0.00 H ATOM 127 1HG LYS A 8 -5.212 7.762 0.089 1.00 0.00 H ATOM 128 2HG LYS A 8 -3.823 6.898 -0.585 1.00 0.00 H ATOM 129 1HD LYS A 8 -3.367 5.911 1.649 1.00 0.00 H ATOM 130 2HD LYS A 8 -4.781 6.754 2.298 1.00 0.00 H ATOM 131 1HE LYS A 8 -6.241 5.537 0.724 1.00 0.00 H ATOM 132 2HE LYS A 8 -4.835 4.709 0.047 1.00 0.00 H ATOM 133 1HZ LYS A 8 -5.961 3.360 1.659 1.00 0.00 H ATOM 134 2HZ LYS A 8 -4.448 3.728 2.202 1.00 0.00 H ATOM 135 3HZ LYS A 8 -5.761 4.499 2.834 1.00 0.00 H ATOM 136 N LEU A 9 -1.138 10.737 0.553 1.00 0.00 N ATOM 137 CA LEU A 9 -0.400 11.850 1.138 1.00 0.00 C ATOM 138 C LEU A 9 -0.659 13.144 0.376 1.00 0.00 C ATOM 139 O LEU A 9 -1.110 14.134 0.950 1.00 0.00 O ATOM 140 CB LEU A 9 1.103 11.545 1.143 1.00 0.00 C ATOM 141 CG LEU A 9 2.020 12.725 1.490 1.00 0.00 C ATOM 142 CD1 LEU A 9 1.726 13.198 2.907 1.00 0.00 C ATOM 143 CD2 LEU A 9 3.474 12.298 1.347 1.00 0.00 C ATOM 144 H LEU A 9 -0.642 9.891 0.311 1.00 0.00 H ATOM 145 HA LEU A 9 -0.729 11.980 2.169 1.00 0.00 H ATOM 146 1HB LEU A 9 1.294 10.754 1.866 1.00 0.00 H ATOM 147 2HB LEU A 9 1.388 11.183 0.155 1.00 0.00 H ATOM 148 HG LEU A 9 1.818 13.555 0.813 1.00 0.00 H ATOM 149 1HD1 LEU A 9 2.377 14.036 3.154 1.00 0.00 H ATOM 150 2HD1 LEU A 9 0.685 13.516 2.976 1.00 0.00 H ATOM 151 3HD1 LEU A 9 1.904 12.382 3.607 1.00 0.00 H ATOM 152 1HD2 LEU A 9 4.126 13.136 1.593 1.00 0.00 H ATOM 153 2HD2 LEU A 9 3.677 11.469 2.025 1.00 0.00 H ATOM 154 3HD2 LEU A 9 3.661 11.981 0.321 1.00 0.00 H ATOM 155 N LEU A 10 -0.371 13.128 -0.921 1.00 0.00 N ATOM 156 CA LEU A 10 -0.404 14.342 -1.728 1.00 0.00 C ATOM 157 C LEU A 10 -1.821 14.886 -1.847 1.00 0.00 C ATOM 158 O LEU A 10 -2.043 16.094 -1.763 1.00 0.00 O ATOM 159 CB LEU A 10 0.164 14.065 -3.126 1.00 0.00 C ATOM 160 CG LEU A 10 1.662 13.737 -3.182 1.00 0.00 C ATOM 161 CD1 LEU A 10 2.028 13.278 -4.587 1.00 0.00 C ATOM 162 CD2 LEU A 10 2.466 14.965 -2.781 1.00 0.00 C ATOM 163 H LEU A 10 -0.122 12.253 -1.359 1.00 0.00 H ATOM 164 HA LEU A 10 0.220 15.096 -1.245 1.00 0.00 H ATOM 165 1HB LEU A 10 -0.375 13.225 -3.559 1.00 0.00 H ATOM 166 2HB LEU A 10 -0.007 14.942 -3.750 1.00 0.00 H ATOM 167 HG LEU A 10 1.881 12.919 -2.496 1.00 0.00 H ATOM 168 1HD1 LEU A 10 3.093 13.045 -4.628 1.00 0.00 H ATOM 169 2HD1 LEU A 10 1.453 12.388 -4.841 1.00 0.00 H ATOM 170 3HD1 LEU A 10 1.804 14.071 -5.299 1.00 0.00 H ATOM 171 1HD2 LEU A 10 3.530 14.731 -2.821 1.00 0.00 H ATOM 172 2HD2 LEU A 10 2.248 15.783 -3.467 1.00 0.00 H ATOM 173 3HD2 LEU A 10 2.197 15.260 -1.767 1.00 0.00 H ATOM 174 N LYS A 11 -2.780 13.987 -2.044 1.00 0.00 N ATOM 175 CA LYS A 11 -4.173 14.378 -2.221 1.00 0.00 C ATOM 176 C LYS A 11 -4.747 14.968 -0.939 1.00 0.00 C ATOM 177 O LYS A 11 -5.393 16.015 -0.961 1.00 0.00 O ATOM 178 CB LYS A 11 -5.013 13.182 -2.672 1.00 0.00 C ATOM 179 CG LYS A 11 -4.742 12.725 -4.099 1.00 0.00 C ATOM 180 CD LYS A 11 -5.581 11.508 -4.459 1.00 0.00 C ATOM 181 CE LYS A 11 -5.282 11.027 -5.871 1.00 0.00 C ATOM 182 NZ LYS A 11 -6.091 9.832 -6.234 1.00 0.00 N ATOM 183 H LYS A 11 -2.537 13.007 -2.072 1.00 0.00 H ATOM 184 HA LYS A 11 -4.223 15.134 -3.006 1.00 0.00 H ATOM 185 1HB LYS A 11 -4.826 12.336 -2.009 1.00 0.00 H ATOM 186 2HB LYS A 11 -6.071 13.431 -2.596 1.00 0.00 H ATOM 187 1HG LYS A 11 -4.976 13.535 -4.791 1.00 0.00 H ATOM 188 2HG LYS A 11 -3.687 12.474 -4.207 1.00 0.00 H ATOM 189 1HD LYS A 11 -5.370 10.701 -3.757 1.00 0.00 H ATOM 190 2HD LYS A 11 -6.639 11.762 -4.388 1.00 0.00 H ATOM 191 1HE LYS A 11 -5.498 11.825 -6.580 1.00 0.00 H ATOM 192 2HE LYS A 11 -4.226 10.773 -5.954 1.00 0.00 H ATOM 193 1HZ LYS A 11 -5.864 9.544 -7.176 1.00 0.00 H ATOM 194 2HZ LYS A 11 -5.885 9.078 -5.593 1.00 0.00 H ATOM 195 3HZ LYS A 11 -7.073 10.060 -6.180 1.00 0.00 H ATOM 196 N LEU A 12 -4.507 14.288 0.177 1.00 0.00 N ATOM 197 CA LEU A 12 -5.043 14.716 1.464 1.00 0.00 C ATOM 198 C LEU A 12 -4.452 16.054 1.890 1.00 0.00 C ATOM 199 O LEU A 12 -5.148 16.901 2.449 1.00 0.00 O ATOM 200 CB LEU A 12 -4.753 13.657 2.536 1.00 0.00 C ATOM 201 CG LEU A 12 -5.526 12.340 2.396 1.00 0.00 C ATOM 202 CD1 LEU A 12 -5.015 11.339 3.424 1.00 0.00 C ATOM 203 CD2 LEU A 12 -7.013 12.601 2.580 1.00 0.00 C ATOM 204 H LEU A 12 -3.938 13.454 0.133 1.00 0.00 H ATOM 205 HA LEU A 12 -6.124 14.825 1.370 1.00 0.00 H ATOM 206 1HB LEU A 12 -3.690 13.422 2.514 1.00 0.00 H ATOM 207 2HB LEU A 12 -4.991 14.078 3.513 1.00 0.00 H ATOM 208 HG LEU A 12 -5.351 11.919 1.405 1.00 0.00 H ATOM 209 1HD1 LEU A 12 -5.563 10.402 3.324 1.00 0.00 H ATOM 210 2HD1 LEU A 12 -3.953 11.156 3.257 1.00 0.00 H ATOM 211 3HD1 LEU A 12 -5.161 11.740 4.426 1.00 0.00 H ATOM 212 1HD2 LEU A 12 -7.562 11.664 2.479 1.00 0.00 H ATOM 213 2HD2 LEU A 12 -7.190 13.020 3.570 1.00 0.00 H ATOM 214 3HD2 LEU A 12 -7.355 13.305 1.821 1.00 0.00 H ATOM 215 N ALA A 13 -3.163 16.238 1.623 1.00 0.00 N ATOM 216 CA ALA A 13 -2.478 17.476 1.972 1.00 0.00 C ATOM 217 C ALA A 13 -3.128 18.676 1.295 1.00 0.00 C ATOM 218 O ALA A 13 -3.258 19.743 1.894 1.00 0.00 O ATOM 219 CB ALA A 13 -1.006 17.391 1.596 1.00 0.00 C ATOM 220 H ALA A 13 -2.646 15.501 1.166 1.00 0.00 H ATOM 221 HA ALA A 13 -2.536 17.611 3.053 1.00 0.00 H ATOM 222 1HB ALA A 13 -0.508 18.323 1.863 1.00 0.00 H ATOM 223 2HB ALA A 13 -0.541 16.564 2.133 1.00 0.00 H ATOM 224 3HB ALA A 13 -0.913 17.225 0.524 1.00 0.00 H ATOM 225 N GLN A 14 -3.536 18.493 0.043 1.00 0.00 N ATOM 226 CA GLN A 14 -4.248 19.533 -0.690 1.00 0.00 C ATOM 227 C GLN A 14 -5.643 19.753 -0.117 1.00 0.00 C ATOM 228 O GLN A 14 -6.132 20.882 -0.066 1.00 0.00 O ATOM 229 CB GLN A 14 -4.343 19.172 -2.175 1.00 0.00 C ATOM 230 CG GLN A 14 -3.016 19.217 -2.912 1.00 0.00 C ATOM 231 CD GLN A 14 -3.148 18.803 -4.366 1.00 0.00 C ATOM 232 OE1 GLN A 14 -4.078 18.083 -4.739 1.00 0.00 O ATOM 233 NE2 GLN A 14 -2.216 19.257 -5.196 1.00 0.00 N ATOM 234 H GLN A 14 -3.347 17.612 -0.412 1.00 0.00 H ATOM 235 HA GLN A 14 -3.685 20.463 -0.606 1.00 0.00 H ATOM 236 1HB GLN A 14 -4.753 18.168 -2.279 1.00 0.00 H ATOM 237 2HB GLN A 14 -5.028 19.859 -2.672 1.00 0.00 H ATOM 238 1HG GLN A 14 -2.628 20.235 -2.880 1.00 0.00 H ATOM 239 2HG GLN A 14 -2.319 18.535 -2.425 1.00 0.00 H ATOM 240 1HE2 GLN A 14 -2.251 19.018 -6.167 1.00 0.00 H ATOM 241 2HE2 GLN A 14 -1.479 19.839 -4.851 1.00 0.00 H ATOM 242 N LYS A 15 -6.279 18.668 0.311 1.00 0.00 N ATOM 243 CA LYS A 15 -7.610 18.744 0.902 1.00 0.00 C ATOM 244 C LYS A 15 -7.572 19.434 2.259 1.00 0.00 C ATOM 245 O LYS A 15 -8.559 20.032 2.690 1.00 0.00 O ATOM 246 CB LYS A 15 -8.215 17.346 1.039 1.00 0.00 C ATOM 247 CG LYS A 15 -8.598 16.693 -0.282 1.00 0.00 C ATOM 248 CD LYS A 15 -9.142 15.289 -0.068 1.00 0.00 C ATOM 249 CE LYS A 15 -9.542 14.642 -1.386 1.00 0.00 C ATOM 250 NZ LYS A 15 -10.070 13.264 -1.192 1.00 0.00 N ATOM 251 H LYS A 15 -5.829 17.768 0.227 1.00 0.00 H ATOM 252 HA LYS A 15 -8.252 19.320 0.234 1.00 0.00 H ATOM 253 1HB LYS A 15 -7.504 16.690 1.543 1.00 0.00 H ATOM 254 2HB LYS A 15 -9.110 17.396 1.659 1.00 0.00 H ATOM 255 1HG LYS A 15 -9.359 17.297 -0.779 1.00 0.00 H ATOM 256 2HG LYS A 15 -7.723 16.640 -0.929 1.00 0.00 H ATOM 257 1HD LYS A 15 -8.381 14.673 0.414 1.00 0.00 H ATOM 258 2HD LYS A 15 -10.015 15.332 0.584 1.00 0.00 H ATOM 259 1HE LYS A 15 -10.307 15.247 -1.870 1.00 0.00 H ATOM 260 2HE LYS A 15 -8.676 14.596 -2.046 1.00 0.00 H ATOM 261 1HZ LYS A 15 -10.323 12.871 -2.088 1.00 0.00 H ATOM 262 2HZ LYS A 15 -9.361 12.689 -0.760 1.00 0.00 H ATOM 263 3HZ LYS A 15 -10.885 13.296 -0.597 1.00 0.00 H ATOM 264 N GLY A 16 -6.428 19.349 2.929 1.00 0.00 N ATOM 265 CA GLY A 16 -6.259 19.968 4.238 1.00 0.00 C ATOM 266 C GLY A 16 -6.184 18.918 5.339 1.00 0.00 C ATOM 267 O GLY A 16 -6.228 19.243 6.525 1.00 0.00 O ATOM 268 H GLY A 16 -5.656 18.842 2.521 1.00 0.00 H ATOM 269 1HA GLY A 16 -5.350 20.570 4.242 1.00 0.00 H ATOM 270 2HA GLY A 16 -7.092 20.643 4.431 1.00 0.00 H ATOM 271 N GLN A 17 -6.071 17.656 4.938 1.00 0.00 N ATOM 272 CA GLN A 17 -5.952 16.558 5.890 1.00 0.00 C ATOM 273 C GLN A 17 -4.505 16.102 6.029 1.00 0.00 C ATOM 274 O GLN A 17 -3.889 15.656 5.061 1.00 0.00 O ATOM 275 CB GLN A 17 -6.832 15.380 5.462 1.00 0.00 C ATOM 276 CG GLN A 17 -6.608 14.111 6.266 1.00 0.00 C ATOM 277 CD GLN A 17 -7.131 14.225 7.686 1.00 0.00 C ATOM 278 OE1 GLN A 17 -8.293 14.575 7.907 1.00 0.00 O ATOM 279 NE2 GLN A 17 -6.274 13.930 8.656 1.00 0.00 N ATOM 280 H GLN A 17 -6.066 17.452 3.949 1.00 0.00 H ATOM 281 HA GLN A 17 -6.305 16.903 6.863 1.00 0.00 H ATOM 282 1HB GLN A 17 -7.882 15.657 5.556 1.00 0.00 H ATOM 283 2HB GLN A 17 -6.647 15.150 4.413 1.00 0.00 H ATOM 284 1HG GLN A 17 -7.126 13.286 5.776 1.00 0.00 H ATOM 285 2HG GLN A 17 -5.538 13.906 6.311 1.00 0.00 H ATOM 286 1HE2 GLN A 17 -6.562 13.988 9.613 1.00 0.00 H ATOM 287 2HE2 GLN A 17 -5.340 13.650 8.432 1.00 0.00 H ATOM 288 N PRO A 18 -3.968 16.217 7.239 1.00 0.00 N ATOM 289 CA PRO A 18 -2.592 15.816 7.507 1.00 0.00 C ATOM 290 C PRO A 18 -2.436 14.302 7.435 1.00 0.00 C ATOM 291 O PRO A 18 -3.405 13.560 7.597 1.00 0.00 O ATOM 292 CB PRO A 18 -2.350 16.341 8.925 1.00 0.00 C ATOM 293 CG PRO A 18 -3.707 16.370 9.541 1.00 0.00 C ATOM 294 CD PRO A 18 -4.616 16.809 8.425 1.00 0.00 C ATOM 295 HA PRO A 18 -1.946 16.270 6.755 1.00 0.00 H ATOM 296 1HB PRO A 18 -1.653 15.678 9.458 1.00 0.00 H ATOM 297 2HB PRO A 18 -1.879 17.335 8.883 1.00 0.00 H ATOM 298 1HG PRO A 18 -3.967 15.375 9.933 1.00 0.00 H ATOM 299 2HG PRO A 18 -3.721 17.062 10.396 1.00 0.00 H ATOM 300 1HD PRO A 18 -5.624 16.401 8.590 1.00 0.00 H ATOM 301 2HD PRO A 18 -4.644 17.908 8.385 1.00 0.00 H ATOM 302 N TYR A 19 -1.211 13.850 7.189 1.00 0.00 N ATOM 303 CA TYR A 19 -0.952 12.436 6.942 1.00 0.00 C ATOM 304 C TYR A 19 0.412 12.024 7.482 1.00 0.00 C ATOM 305 O TYR A 19 1.420 12.678 7.215 1.00 0.00 O ATOM 306 CB TYR A 19 -1.045 12.129 5.446 1.00 0.00 C ATOM 307 CG TYR A 19 -0.835 10.669 5.108 1.00 0.00 C ATOM 308 CD1 TYR A 19 -1.916 9.800 5.088 1.00 0.00 C ATOM 309 CD2 TYR A 19 0.437 10.201 4.818 1.00 0.00 C ATOM 310 CE1 TYR A 19 -1.724 8.467 4.780 1.00 0.00 C ATOM 311 CE2 TYR A 19 0.629 8.868 4.510 1.00 0.00 C ATOM 312 CZ TYR A 19 -0.446 8.003 4.490 1.00 0.00 C ATOM 313 OH TYR A 19 -0.255 6.675 4.183 1.00 0.00 O ATOM 314 H TYR A 19 -0.440 14.501 7.174 1.00 0.00 H ATOM 315 HA TYR A 19 -1.720 11.850 7.447 1.00 0.00 H ATOM 316 1HB TYR A 19 -2.026 12.427 5.073 1.00 0.00 H ATOM 317 2HB TYR A 19 -0.300 12.713 4.907 1.00 0.00 H ATOM 318 HD1 TYR A 19 -2.916 10.168 5.316 1.00 0.00 H ATOM 319 HD2 TYR A 19 1.287 10.884 4.835 1.00 0.00 H ATOM 320 HE1 TYR A 19 -2.573 7.784 4.765 1.00 0.00 H ATOM 321 HE2 TYR A 19 1.630 8.499 4.283 1.00 0.00 H ATOM 322 HH TYR A 19 -1.098 6.216 4.214 1.00 0.00 H ATOM 323 N THR A 20 0.436 10.934 8.242 1.00 0.00 N ATOM 324 CA THR A 20 1.674 10.441 8.834 1.00 0.00 C ATOM 325 C THR A 20 2.064 9.089 8.251 1.00 0.00 C ATOM 326 O THR A 20 1.230 8.191 8.130 1.00 0.00 O ATOM 327 CB THR A 20 1.550 10.328 10.365 1.00 0.00 C ATOM 328 OG1 THR A 20 1.287 11.622 10.923 1.00 0.00 O ATOM 329 CG2 THR A 20 2.832 9.772 10.965 1.00 0.00 C ATOM 330 H THR A 20 -0.424 10.435 8.414 1.00 0.00 H ATOM 331 HA THR A 20 2.469 11.157 8.620 1.00 0.00 H ATOM 332 HB THR A 20 0.721 9.665 10.614 1.00 0.00 H ATOM 333 HG1 THR A 20 0.348 11.813 10.859 1.00 0.00 H ATOM 334 1HG2 THR A 20 2.726 9.699 12.047 1.00 0.00 H ATOM 335 2HG2 THR A 20 3.029 8.783 10.551 1.00 0.00 H ATOM 336 3HG2 THR A 20 3.662 10.436 10.727 1.00 0.00 H ATOM 337 N PHE A 21 3.335 8.950 7.890 1.00 0.00 N ATOM 338 CA PHE A 21 3.875 7.664 7.467 1.00 0.00 C ATOM 339 C PHE A 21 5.061 7.253 8.330 1.00 0.00 C ATOM 340 O PHE A 21 6.205 7.598 8.035 1.00 0.00 O ATOM 341 CB PHE A 21 4.301 7.720 5.999 1.00 0.00 C ATOM 342 CG PHE A 21 4.694 6.386 5.430 1.00 0.00 C ATOM 343 CD1 PHE A 21 3.774 5.613 4.737 1.00 0.00 C ATOM 344 CD2 PHE A 21 5.983 5.901 5.588 1.00 0.00 C ATOM 345 CE1 PHE A 21 4.134 4.386 4.214 1.00 0.00 C ATOM 346 CE2 PHE A 21 6.346 4.675 5.065 1.00 0.00 C ATOM 347 CZ PHE A 21 5.420 3.917 4.377 1.00 0.00 C ATOM 348 H PHE A 21 3.943 9.757 7.909 1.00 0.00 H ATOM 349 HA PHE A 21 3.092 6.910 7.566 1.00 0.00 H ATOM 350 1HB PHE A 21 3.485 8.119 5.398 1.00 0.00 H ATOM 351 2HB PHE A 21 5.147 8.397 5.892 1.00 0.00 H ATOM 352 HD1 PHE A 21 2.757 5.985 4.607 1.00 0.00 H ATOM 353 HD2 PHE A 21 6.715 6.499 6.131 1.00 0.00 H ATOM 354 HE1 PHE A 21 3.401 3.789 3.672 1.00 0.00 H ATOM 355 HE2 PHE A 21 7.363 4.305 5.195 1.00 0.00 H ATOM 356 HZ PHE A 21 5.704 2.949 3.966 1.00 0.00 H ATOM 357 N GLY A 22 4.781 6.515 9.399 1.00 0.00 N ATOM 358 CA GLY A 22 5.824 6.062 10.311 1.00 0.00 C ATOM 359 C GLY A 22 6.232 7.169 11.274 1.00 0.00 C ATOM 360 O GLY A 22 5.493 7.504 12.200 1.00 0.00 O ATOM 361 H GLY A 22 3.821 6.260 9.583 1.00 0.00 H ATOM 362 1HA GLY A 22 5.465 5.199 10.874 1.00 0.00 H ATOM 363 2HA GLY A 22 6.691 5.734 9.739 1.00 0.00 H ATOM 364 N ASP A 23 7.413 7.735 11.051 1.00 0.00 N ATOM 365 CA ASP A 23 7.892 8.853 11.855 1.00 0.00 C ATOM 366 C ASP A 23 7.791 10.165 11.088 1.00 0.00 C ATOM 367 O ASP A 23 8.246 11.207 11.560 1.00 0.00 O ATOM 368 CB ASP A 23 9.341 8.619 12.290 1.00 0.00 C ATOM 369 CG ASP A 23 9.491 7.438 13.239 1.00 0.00 C ATOM 370 OD1 ASP A 23 8.627 7.247 14.061 1.00 0.00 O ATOM 371 OD2 ASP A 23 10.470 6.737 13.132 1.00 0.00 O ATOM 372 H ASP A 23 7.995 7.381 10.305 1.00 0.00 H ATOM 373 HA ASP A 23 7.275 8.923 12.752 1.00 0.00 H ATOM 374 1HB ASP A 23 9.961 8.442 11.411 1.00 0.00 H ATOM 375 2HB ASP A 23 9.721 9.514 12.784 1.00 0.00 H ATOM 376 N PHE A 24 7.192 10.108 9.904 1.00 0.00 N ATOM 377 CA PHE A 24 7.101 11.275 9.034 1.00 0.00 C ATOM 378 C PHE A 24 5.689 11.846 9.023 1.00 0.00 C ATOM 379 O PHE A 24 4.790 11.290 8.392 1.00 0.00 O ATOM 380 CB PHE A 24 7.522 10.912 7.608 1.00 0.00 C ATOM 381 CG PHE A 24 8.955 10.479 7.491 1.00 0.00 C ATOM 382 CD1 PHE A 24 9.334 9.187 7.824 1.00 0.00 C ATOM 383 CD2 PHE A 24 9.928 11.362 7.048 1.00 0.00 C ATOM 384 CE1 PHE A 24 10.652 8.787 7.716 1.00 0.00 C ATOM 385 CE2 PHE A 24 11.247 10.965 6.938 1.00 0.00 C ATOM 386 CZ PHE A 24 11.609 9.676 7.273 1.00 0.00 C ATOM 387 H PHE A 24 6.789 9.234 9.598 1.00 0.00 H ATOM 388 HA PHE A 24 7.784 12.039 9.408 1.00 0.00 H ATOM 389 1HB PHE A 24 6.891 10.106 7.237 1.00 0.00 H ATOM 390 2HB PHE A 24 7.371 11.771 6.956 1.00 0.00 H ATOM 391 HD1 PHE A 24 8.577 8.484 8.173 1.00 0.00 H ATOM 392 HD2 PHE A 24 9.642 12.381 6.784 1.00 0.00 H ATOM 393 HE1 PHE A 24 10.936 7.769 7.981 1.00 0.00 H ATOM 394 HE2 PHE A 24 12.001 11.669 6.588 1.00 0.00 H ATOM 395 HZ PHE A 24 12.648 9.362 7.189 1.00 0.00 H ATOM 396 N THR A 25 5.500 12.958 9.725 1.00 0.00 N ATOM 397 CA THR A 25 4.204 13.623 9.772 1.00 0.00 C ATOM 398 C THR A 25 4.165 14.821 8.831 1.00 0.00 C ATOM 399 O THR A 25 5.063 15.663 8.846 1.00 0.00 O ATOM 400 CB THR A 25 3.866 14.079 11.203 1.00 0.00 C ATOM 401 OG1 THR A 25 3.748 12.933 12.057 1.00 0.00 O ATOM 402 CG2 THR A 25 2.559 14.857 11.221 1.00 0.00 C ATOM 403 H THR A 25 6.275 13.352 10.239 1.00 0.00 H ATOM 404 HA THR A 25 3.438 12.911 9.463 1.00 0.00 H ATOM 405 HB THR A 25 4.666 14.715 11.581 1.00 0.00 H ATOM 406 HG1 THR A 25 2.934 12.465 11.852 1.00 0.00 H ATOM 407 1HG2 THR A 25 2.337 15.171 12.241 1.00 0.00 H ATOM 408 2HG2 THR A 25 2.650 15.735 10.582 1.00 0.00 H ATOM 409 3HG2 THR A 25 1.754 14.223 10.853 1.00 0.00 H ATOM 410 N VAL A 26 3.121 14.891 8.013 1.00 0.00 N ATOM 411 CA VAL A 26 2.966 15.984 7.060 1.00 0.00 C ATOM 412 C VAL A 26 1.726 16.814 7.371 1.00 0.00 C ATOM 413 O VAL A 26 0.640 16.272 7.573 1.00 0.00 O ATOM 414 CB VAL A 26 2.864 15.432 5.626 1.00 0.00 C ATOM 415 CG1 VAL A 26 2.428 16.526 4.664 1.00 0.00 C ATOM 416 CG2 VAL A 26 4.201 14.843 5.203 1.00 0.00 C ATOM 417 H VAL A 26 2.415 14.169 8.053 1.00 0.00 H ATOM 418 HA VAL A 26 3.843 16.628 7.127 1.00 0.00 H ATOM 419 HB VAL A 26 2.100 14.655 5.599 1.00 0.00 H ATOM 420 1HG1 VAL A 26 2.361 16.118 3.655 1.00 0.00 H ATOM 421 2HG1 VAL A 26 1.452 16.908 4.965 1.00 0.00 H ATOM 422 3HG1 VAL A 26 3.156 17.336 4.679 1.00 0.00 H ATOM 423 1HG2 VAL A 26 4.122 14.454 4.188 1.00 0.00 H ATOM 424 2HG2 VAL A 26 4.967 15.618 5.236 1.00 0.00 H ATOM 425 3HG2 VAL A 26 4.474 14.034 5.881 1.00 0.00 H ATOM 426 N THR A 27 1.896 18.131 7.406 1.00 0.00 N ATOM 427 CA THR A 27 0.794 19.038 7.704 1.00 0.00 C ATOM 428 C THR A 27 0.660 20.112 6.633 1.00 0.00 C ATOM 429 O THR A 27 -0.001 21.130 6.841 1.00 0.00 O ATOM 430 CB THR A 27 0.979 19.701 9.082 1.00 0.00 C ATOM 431 OG1 THR A 27 2.220 20.417 9.107 1.00 0.00 O ATOM 432 CG2 THR A 27 0.981 18.651 10.183 1.00 0.00 C ATOM 433 H THR A 27 2.812 18.514 7.222 1.00 0.00 H ATOM 434 HA THR A 27 -0.130 18.460 7.737 1.00 0.00 H ATOM 435 HB THR A 27 0.165 20.404 9.259 1.00 0.00 H ATOM 436 HG1 THR A 27 2.814 20.051 8.448 1.00 0.00 H ATOM 437 1HG2 THR A 27 1.112 19.138 11.149 1.00 0.00 H ATOM 438 2HG2 THR A 27 0.034 18.112 10.173 1.00 0.00 H ATOM 439 3HG2 THR A 27 1.798 17.951 10.016 1.00 0.00 H ATOM 440 N SER A 28 1.290 19.880 5.487 1.00 0.00 N ATOM 441 CA SER A 28 1.308 20.862 4.409 1.00 0.00 C ATOM 442 C SER A 28 1.654 20.211 3.076 1.00 0.00 C ATOM 443 O SER A 28 2.354 19.200 3.032 1.00 0.00 O ATOM 444 CB SER A 28 2.305 21.961 4.720 1.00 0.00 C ATOM 445 OG SER A 28 2.342 22.912 3.692 1.00 0.00 O ATOM 446 H SER A 28 1.770 19.001 5.358 1.00 0.00 H ATOM 447 HA SER A 28 0.316 21.310 4.333 1.00 0.00 H ATOM 448 1HB SER A 28 2.033 22.445 5.658 1.00 0.00 H ATOM 449 2HB SER A 28 3.295 21.526 4.852 1.00 0.00 H ATOM 450 HG SER A 28 2.049 23.738 4.085 1.00 0.00 H ATOM 451 N GLU A 29 1.159 20.798 1.991 1.00 0.00 N ATOM 452 CA GLU A 29 1.403 20.267 0.655 1.00 0.00 C ATOM 453 C GLU A 29 2.892 20.244 0.335 1.00 0.00 C ATOM 454 O GLU A 29 3.393 19.291 -0.261 1.00 0.00 O ATOM 455 CB GLU A 29 0.659 21.098 -0.393 1.00 0.00 C ATOM 456 CG GLU A 29 0.762 20.559 -1.812 1.00 0.00 C ATOM 457 CD GLU A 29 -0.053 21.347 -2.799 1.00 0.00 C ATOM 458 OE1 GLU A 29 -0.636 22.330 -2.408 1.00 0.00 O ATOM 459 OE2 GLU A 29 -0.092 20.967 -3.945 1.00 0.00 O ATOM 460 H GLU A 29 0.599 21.632 2.095 1.00 0.00 H ATOM 461 HA GLU A 29 1.020 19.247 0.613 1.00 0.00 H ATOM 462 1HB GLU A 29 -0.398 21.151 -0.131 1.00 0.00 H ATOM 463 2HB GLU A 29 1.047 22.116 -0.392 1.00 0.00 H ATOM 464 1HG GLU A 29 1.807 20.580 -2.122 1.00 0.00 H ATOM 465 2HG GLU A 29 0.431 19.521 -1.821 1.00 0.00 H ATOM 466 N GLU A 30 3.594 21.299 0.735 1.00 0.00 N ATOM 467 CA GLU A 30 5.043 21.356 0.584 1.00 0.00 C ATOM 468 C GLU A 30 5.716 20.176 1.273 1.00 0.00 C ATOM 469 O GLU A 30 6.558 19.498 0.684 1.00 0.00 O ATOM 470 CB GLU A 30 5.587 22.668 1.152 1.00 0.00 C ATOM 471 CG GLU A 30 7.096 22.830 1.028 1.00 0.00 C ATOM 472 CD GLU A 30 7.593 24.130 1.596 1.00 0.00 C ATOM 473 OE1 GLU A 30 6.787 24.906 2.048 1.00 0.00 O ATOM 474 OE2 GLU A 30 8.782 24.347 1.577 1.00 0.00 O ATOM 475 H GLU A 30 3.112 22.081 1.153 1.00 0.00 H ATOM 476 HA GLU A 30 5.282 21.322 -0.480 1.00 0.00 H ATOM 477 1HB GLU A 30 5.117 23.509 0.640 1.00 0.00 H ATOM 478 2HB GLU A 30 5.329 22.742 2.208 1.00 0.00 H ATOM 479 1HG GLU A 30 7.583 22.008 1.551 1.00 0.00 H ATOM 480 2HG GLU A 30 7.371 22.769 -0.024 1.00 0.00 H ATOM 481 N GLU A 31 5.339 19.934 2.524 1.00 0.00 N ATOM 482 CA GLU A 31 5.881 18.815 3.285 1.00 0.00 C ATOM 483 C GLU A 31 5.477 17.482 2.669 1.00 0.00 C ATOM 484 O GLU A 31 6.220 16.504 2.739 1.00 0.00 O ATOM 485 CB GLU A 31 5.407 18.880 4.739 1.00 0.00 C ATOM 486 CG GLU A 31 6.004 20.025 5.544 1.00 0.00 C ATOM 487 CD GLU A 31 5.360 20.190 6.893 1.00 0.00 C ATOM 488 OE1 GLU A 31 4.332 19.598 7.115 1.00 0.00 O ATOM 489 OE2 GLU A 31 5.898 20.910 7.702 1.00 0.00 O ATOM 490 H GLU A 31 4.659 20.542 2.959 1.00 0.00 H ATOM 491 HA GLU A 31 6.969 18.888 3.280 1.00 0.00 H ATOM 492 1HB GLU A 31 4.322 18.983 4.764 1.00 0.00 H ATOM 493 2HB GLU A 31 5.660 17.948 5.246 1.00 0.00 H ATOM 494 1HG GLU A 31 7.069 19.842 5.683 1.00 0.00 H ATOM 495 2HG GLU A 31 5.893 20.949 4.979 1.00 0.00 H ATOM 496 N ALA A 32 4.294 17.450 2.064 1.00 0.00 N ATOM 497 CA ALA A 32 3.812 16.252 1.387 1.00 0.00 C ATOM 498 C ALA A 32 4.721 15.873 0.224 1.00 0.00 C ATOM 499 O ALA A 32 5.045 14.701 0.034 1.00 0.00 O ATOM 500 CB ALA A 32 2.386 16.458 0.898 1.00 0.00 C ATOM 501 H ALA A 32 3.714 18.277 2.073 1.00 0.00 H ATOM 502 HA ALA A 32 3.800 15.431 2.104 1.00 0.00 H ATOM 503 1HB ALA A 32 2.040 15.555 0.394 1.00 0.00 H ATOM 504 2HB ALA A 32 1.737 16.671 1.747 1.00 0.00 H ATOM 505 3HB ALA A 32 2.357 17.294 0.201 1.00 0.00 H ATOM 506 N LYS A 33 5.129 16.872 -0.551 1.00 0.00 N ATOM 507 CA LYS A 33 6.035 16.651 -1.672 1.00 0.00 C ATOM 508 C LYS A 33 7.379 16.116 -1.196 1.00 0.00 C ATOM 509 O LYS A 33 7.966 15.236 -1.826 1.00 0.00 O ATOM 510 CB LYS A 33 6.233 17.944 -2.464 1.00 0.00 C ATOM 511 CG LYS A 33 5.008 18.398 -3.246 1.00 0.00 C ATOM 512 CD LYS A 33 5.268 19.711 -3.968 1.00 0.00 C ATOM 513 CE LYS A 33 4.037 20.177 -4.732 1.00 0.00 C ATOM 514 NZ LYS A 33 4.270 21.473 -5.425 1.00 0.00 N ATOM 515 H LYS A 33 4.803 17.809 -0.359 1.00 0.00 H ATOM 516 HA LYS A 33 5.584 15.917 -2.342 1.00 0.00 H ATOM 517 1HB LYS A 33 6.512 18.749 -1.783 1.00 0.00 H ATOM 518 2HB LYS A 33 7.053 17.816 -3.171 1.00 0.00 H ATOM 519 1HG LYS A 33 4.742 17.636 -3.980 1.00 0.00 H ATOM 520 2HG LYS A 33 4.169 18.528 -2.563 1.00 0.00 H ATOM 521 1HD LYS A 33 5.546 20.477 -3.243 1.00 0.00 H ATOM 522 2HD LYS A 33 6.092 19.584 -4.670 1.00 0.00 H ATOM 523 1HE LYS A 33 3.764 19.427 -5.473 1.00 0.00 H ATOM 524 2HE LYS A 33 3.202 20.293 -4.042 1.00 0.00 H ATOM 525 1HZ LYS A 33 3.432 21.747 -5.919 1.00 0.00 H ATOM 526 2HZ LYS A 33 4.506 22.182 -4.744 1.00 0.00 H ATOM 527 3HZ LYS A 33 5.029 21.372 -6.083 1.00 0.00 H ATOM 528 N LYS A 34 7.863 16.653 -0.081 1.00 0.00 N ATOM 529 CA LYS A 34 9.137 16.226 0.485 1.00 0.00 C ATOM 530 C LYS A 34 9.097 14.757 0.886 1.00 0.00 C ATOM 531 O LYS A 34 9.994 13.986 0.543 1.00 0.00 O ATOM 532 CB LYS A 34 9.503 17.091 1.692 1.00 0.00 C ATOM 533 CG LYS A 34 9.882 18.525 1.346 1.00 0.00 C ATOM 534 CD LYS A 34 10.181 19.335 2.599 1.00 0.00 C ATOM 535 CE LYS A 34 10.545 20.772 2.257 1.00 0.00 C ATOM 536 NZ LYS A 34 10.804 21.586 3.475 1.00 0.00 N ATOM 537 H LYS A 34 7.334 17.375 0.387 1.00 0.00 H ATOM 538 HA LYS A 34 9.913 16.362 -0.269 1.00 0.00 H ATOM 539 1HB LYS A 34 8.662 17.124 2.384 1.00 0.00 H ATOM 540 2HB LYS A 34 10.344 16.641 2.220 1.00 0.00 H ATOM 541 1HG LYS A 34 10.764 18.524 0.705 1.00 0.00 H ATOM 542 2HG LYS A 34 9.062 18.997 0.806 1.00 0.00 H ATOM 543 1HD LYS A 34 9.305 19.335 3.250 1.00 0.00 H ATOM 544 2HD LYS A 34 11.011 18.878 3.138 1.00 0.00 H ATOM 545 1HE LYS A 34 11.436 20.782 1.632 1.00 0.00 H ATOM 546 2HE LYS A 34 9.730 21.230 1.696 1.00 0.00 H ATOM 547 1HZ LYS A 34 11.041 22.530 3.206 1.00 0.00 H ATOM 548 2HZ LYS A 34 9.976 21.599 4.055 1.00 0.00 H ATOM 549 3HZ LYS A 34 11.571 21.182 3.994 1.00 0.00 H ATOM 550 N LEU A 35 8.053 14.375 1.613 1.00 0.00 N ATOM 551 CA LEU A 35 7.886 12.994 2.048 1.00 0.00 C ATOM 552 C LEU A 35 7.617 12.072 0.866 1.00 0.00 C ATOM 553 O LEU A 35 8.146 10.963 0.798 1.00 0.00 O ATOM 554 CB LEU A 35 6.735 12.891 3.057 1.00 0.00 C ATOM 555 CG LEU A 35 6.373 11.471 3.510 1.00 0.00 C ATOM 556 CD1 LEU A 35 7.615 10.778 4.053 1.00 0.00 C ATOM 557 CD2 LEU A 35 5.279 11.539 4.566 1.00 0.00 C ATOM 558 H LEU A 35 7.357 15.060 1.871 1.00 0.00 H ATOM 559 HA LEU A 35 8.805 12.672 2.540 1.00 0.00 H ATOM 560 1HB LEU A 35 6.998 13.465 3.944 1.00 0.00 H ATOM 561 2HB LEU A 35 5.844 13.335 2.613 1.00 0.00 H ATOM 562 HG LEU A 35 6.017 10.896 2.655 1.00 0.00 H ATOM 563 1HD1 LEU A 35 7.358 9.769 4.375 1.00 0.00 H ATOM 564 2HD1 LEU A 35 8.374 10.726 3.271 1.00 0.00 H ATOM 565 3HD1 LEU A 35 8.005 11.341 4.900 1.00 0.00 H ATOM 566 1HD2 LEU A 35 5.021 10.529 4.888 1.00 0.00 H ATOM 567 2HD2 LEU A 35 5.635 12.113 5.422 1.00 0.00 H ATOM 568 3HD2 LEU A 35 4.397 12.022 4.146 1.00 0.00 H ATOM 569 N ALA A 36 6.792 12.539 -0.065 1.00 0.00 N ATOM 570 CA ALA A 36 6.458 11.760 -1.252 1.00 0.00 C ATOM 571 C ALA A 36 7.714 11.314 -1.989 1.00 0.00 C ATOM 572 O ALA A 36 7.812 10.169 -2.430 1.00 0.00 O ATOM 573 CB ALA A 36 5.559 12.567 -2.179 1.00 0.00 C ATOM 574 H ALA A 36 6.385 13.456 0.052 1.00 0.00 H ATOM 575 HA ALA A 36 5.902 10.875 -0.941 1.00 0.00 H ATOM 576 1HB ALA A 36 5.318 11.972 -3.060 1.00 0.00 H ATOM 577 2HB ALA A 36 4.639 12.829 -1.656 1.00 0.00 H ATOM 578 3HB ALA A 36 6.074 13.476 -2.484 1.00 0.00 H ATOM 579 N LYS A 37 8.672 12.225 -2.121 1.00 0.00 N ATOM 580 CA LYS A 37 9.951 11.907 -2.744 1.00 0.00 C ATOM 581 C LYS A 37 10.694 10.833 -1.960 1.00 0.00 C ATOM 582 O LYS A 37 11.237 9.892 -2.539 1.00 0.00 O ATOM 583 CB LYS A 37 10.815 13.163 -2.865 1.00 0.00 C ATOM 584 CG LYS A 37 10.328 14.164 -3.904 1.00 0.00 C ATOM 585 CD LYS A 37 11.200 15.411 -3.920 1.00 0.00 C ATOM 586 CE LYS A 37 10.694 16.427 -4.934 1.00 0.00 C ATOM 587 NZ LYS A 37 11.521 17.665 -4.941 1.00 0.00 N ATOM 588 H LYS A 37 8.511 13.161 -1.779 1.00 0.00 H ATOM 589 HA LYS A 37 9.762 11.536 -3.752 1.00 0.00 H ATOM 590 1HB LYS A 37 10.853 13.672 -1.902 1.00 0.00 H ATOM 591 2HB LYS A 37 11.835 12.879 -3.126 1.00 0.00 H ATOM 592 1HG LYS A 37 10.350 13.703 -4.892 1.00 0.00 H ATOM 593 2HG LYS A 37 9.302 14.451 -3.679 1.00 0.00 H ATOM 594 1HD LYS A 37 11.201 15.868 -2.930 1.00 0.00 H ATOM 595 2HD LYS A 37 12.223 15.137 -4.176 1.00 0.00 H ATOM 596 1HE LYS A 37 10.711 15.987 -5.930 1.00 0.00 H ATOM 597 2HE LYS A 37 9.664 16.695 -4.697 1.00 0.00 H ATOM 598 1HZ LYS A 37 11.153 18.312 -5.625 1.00 0.00 H ATOM 599 2HZ LYS A 37 11.496 18.092 -4.026 1.00 0.00 H ATOM 600 3HZ LYS A 37 12.474 17.431 -5.178 1.00 0.00 H ATOM 601 N TRP A 38 10.715 10.979 -0.640 1.00 0.00 N ATOM 602 CA TRP A 38 11.303 9.970 0.233 1.00 0.00 C ATOM 603 C TRP A 38 10.603 8.627 0.074 1.00 0.00 C ATOM 604 O TRP A 38 11.249 7.581 0.027 1.00 0.00 O ATOM 605 CB TRP A 38 11.227 10.419 1.694 1.00 0.00 C ATOM 606 CG TRP A 38 11.856 9.453 2.651 1.00 0.00 C ATOM 607 CD1 TRP A 38 13.179 9.356 2.960 1.00 0.00 C ATOM 608 CD2 TRP A 38 11.186 8.435 3.434 1.00 0.00 C ATOM 609 NE1 TRP A 38 13.379 8.353 3.876 1.00 0.00 N ATOM 610 CE2 TRP A 38 12.170 7.780 4.178 1.00 0.00 C ATOM 611 CE3 TRP A 38 9.850 8.035 3.561 1.00 0.00 C ATOM 612 CZ2 TRP A 38 11.866 6.739 5.041 1.00 0.00 C ATOM 613 CZ3 TRP A 38 9.545 6.992 4.428 1.00 0.00 C ATOM 614 CH2 TRP A 38 10.527 6.362 5.149 1.00 0.00 C ATOM 615 H TRP A 38 10.313 11.810 -0.231 1.00 0.00 H ATOM 616 HA TRP A 38 12.354 9.851 -0.035 1.00 0.00 H ATOM 617 1HB TRP A 38 11.723 11.384 1.805 1.00 0.00 H ATOM 618 2HB TRP A 38 10.183 10.554 1.979 1.00 0.00 H ATOM 619 HD1 TRP A 38 13.964 9.984 2.541 1.00 0.00 H ATOM 620 HE1 TRP A 38 14.271 8.080 4.264 1.00 0.00 H ATOM 621 HE3 TRP A 38 9.065 8.534 2.993 1.00 0.00 H ATOM 622 HZ2 TRP A 38 12.632 6.225 5.623 1.00 0.00 H ATOM 623 HZ3 TRP A 38 8.502 6.686 4.520 1.00 0.00 H ATOM 624 HH2 TRP A 38 10.252 5.548 5.820 1.00 0.00 H ATOM 625 N LEU A 39 9.277 8.663 -0.009 1.00 0.00 N ATOM 626 CA LEU A 39 8.487 7.450 -0.185 1.00 0.00 C ATOM 627 C LEU A 39 8.804 6.774 -1.512 1.00 0.00 C ATOM 628 O LEU A 39 8.853 5.547 -1.599 1.00 0.00 O ATOM 629 CB LEU A 39 6.990 7.778 -0.114 1.00 0.00 C ATOM 630 CG LEU A 39 6.457 8.158 1.273 1.00 0.00 C ATOM 631 CD1 LEU A 39 5.020 8.645 1.148 1.00 0.00 C ATOM 632 CD2 LEU A 39 6.549 6.956 2.200 1.00 0.00 C ATOM 633 H LEU A 39 8.804 9.554 0.052 1.00 0.00 H ATOM 634 HA LEU A 39 8.728 6.760 0.625 1.00 0.00 H ATOM 635 1HB LEU A 39 6.785 8.608 -0.788 1.00 0.00 H ATOM 636 2HB LEU A 39 6.428 6.910 -0.459 1.00 0.00 H ATOM 637 HG LEU A 39 7.052 8.977 1.679 1.00 0.00 H ATOM 638 1HD1 LEU A 39 4.641 8.916 2.134 1.00 0.00 H ATOM 639 2HD1 LEU A 39 4.986 9.518 0.495 1.00 0.00 H ATOM 640 3HD1 LEU A 39 4.402 7.852 0.728 1.00 0.00 H ATOM 641 1HD2 LEU A 39 6.170 7.227 3.186 1.00 0.00 H ATOM 642 2HD2 LEU A 39 5.953 6.138 1.795 1.00 0.00 H ATOM 643 3HD2 LEU A 39 7.589 6.640 2.284 1.00 0.00 H ATOM 644 N LYS A 40 9.018 7.582 -2.545 1.00 0.00 N ATOM 645 CA LYS A 40 9.383 7.066 -3.859 1.00 0.00 C ATOM 646 C LYS A 40 10.734 6.364 -3.819 1.00 0.00 C ATOM 647 O LYS A 40 10.951 5.373 -4.518 1.00 0.00 O ATOM 648 CB LYS A 40 9.407 8.194 -4.891 1.00 0.00 C ATOM 649 CG LYS A 40 8.031 8.717 -5.284 1.00 0.00 C ATOM 650 CD LYS A 40 8.140 9.901 -6.233 1.00 0.00 C ATOM 651 CE LYS A 40 6.769 10.462 -6.579 1.00 0.00 C ATOM 652 NZ LYS A 40 6.861 11.632 -7.493 1.00 0.00 N ATOM 653 H LYS A 40 8.926 8.580 -2.417 1.00 0.00 H ATOM 654 HA LYS A 40 8.624 6.347 -4.171 1.00 0.00 H ATOM 655 1HB LYS A 40 9.984 9.033 -4.500 1.00 0.00 H ATOM 656 2HB LYS A 40 9.904 7.849 -5.797 1.00 0.00 H ATOM 657 1HG LYS A 40 7.465 7.922 -5.771 1.00 0.00 H ATOM 658 2HG LYS A 40 7.491 9.027 -4.390 1.00 0.00 H ATOM 659 1HD LYS A 40 8.738 10.686 -5.768 1.00 0.00 H ATOM 660 2HD LYS A 40 8.636 9.587 -7.151 1.00 0.00 H ATOM 661 1HE LYS A 40 6.170 9.688 -7.059 1.00 0.00 H ATOM 662 2HE LYS A 40 6.260 10.770 -5.666 1.00 0.00 H ATOM 663 1HZ LYS A 40 5.932 11.974 -7.698 1.00 0.00 H ATOM 664 2HZ LYS A 40 7.399 12.364 -7.051 1.00 0.00 H ATOM 665 3HZ LYS A 40 7.314 11.355 -8.352 1.00 0.00 H ATOM 666 N LYS A 41 11.641 6.882 -2.998 1.00 0.00 N ATOM 667 CA LYS A 41 12.928 6.237 -2.773 1.00 0.00 C ATOM 668 C LYS A 41 12.759 4.907 -2.050 1.00 0.00 C ATOM 669 O LYS A 41 13.520 3.966 -2.276 1.00 0.00 O ATOM 670 CB LYS A 41 13.855 7.155 -1.974 1.00 0.00 C ATOM 671 CG LYS A 41 14.337 8.381 -2.738 1.00 0.00 C ATOM 672 CD LYS A 41 15.205 9.273 -1.862 1.00 0.00 C ATOM 673 CE LYS A 41 15.667 10.511 -2.617 1.00 0.00 C ATOM 674 NZ LYS A 41 16.493 11.407 -1.763 1.00 0.00 N ATOM 675 H LYS A 41 11.432 7.746 -2.517 1.00 0.00 H ATOM 676 HA LYS A 41 13.397 6.053 -3.740 1.00 0.00 H ATOM 677 1HB LYS A 41 13.340 7.501 -1.077 1.00 0.00 H ATOM 678 2HB LYS A 41 14.733 6.595 -1.652 1.00 0.00 H ATOM 679 1HG LYS A 41 14.917 8.065 -3.606 1.00 0.00 H ATOM 680 2HG LYS A 41 13.478 8.954 -3.087 1.00 0.00 H ATOM 681 1HD LYS A 41 14.637 9.583 -0.984 1.00 0.00 H ATOM 682 2HD LYS A 41 16.080 8.715 -1.529 1.00 0.00 H ATOM 683 1HE LYS A 41 16.255 10.210 -3.482 1.00 0.00 H ATOM 684 2HE LYS A 41 14.798 11.066 -2.970 1.00 0.00 H ATOM 685 1HZ LYS A 41 16.778 12.214 -2.298 1.00 0.00 H ATOM 686 2HZ LYS A 41 15.950 11.707 -0.965 1.00 0.00 H ATOM 687 3HZ LYS A 41 17.311 10.908 -1.444 1.00 0.00 H ATOM 688 N GLN A 42 11.758 4.835 -1.180 1.00 0.00 N ATOM 689 CA GLN A 42 11.439 3.597 -0.479 1.00 0.00 C ATOM 690 C GLN A 42 10.660 2.642 -1.374 1.00 0.00 C ATOM 691 O GLN A 42 10.768 1.423 -1.239 1.00 0.00 O ATOM 692 CB GLN A 42 10.639 3.892 0.793 1.00 0.00 C ATOM 693 CG GLN A 42 11.393 4.711 1.827 1.00 0.00 C ATOM 694 CD GLN A 42 12.608 3.983 2.368 1.00 0.00 C ATOM 695 OE1 GLN A 42 12.516 2.833 2.807 1.00 0.00 O ATOM 696 NE2 GLN A 42 13.757 4.649 2.339 1.00 0.00 N ATOM 697 H GLN A 42 11.203 5.659 -1.000 1.00 0.00 H ATOM 698 HA GLN A 42 12.373 3.117 -0.183 1.00 0.00 H ATOM 699 1HB GLN A 42 9.729 4.433 0.533 1.00 0.00 H ATOM 700 2HB GLN A 42 10.339 2.954 1.260 1.00 0.00 H ATOM 701 1HG GLN A 42 11.728 5.640 1.365 1.00 0.00 H ATOM 702 2HG GLN A 42 10.725 4.928 2.661 1.00 0.00 H ATOM 703 1HE2 GLN A 42 14.594 4.219 2.682 1.00 0.00 H ATOM 704 2HE2 GLN A 42 13.787 5.579 1.973 1.00 0.00 H ATOM 705 N LEU A 43 9.876 3.202 -2.287 1.00 0.00 N ATOM 706 CA LEU A 43 9.061 2.401 -3.193 1.00 0.00 C ATOM 707 C LEU A 43 9.929 1.637 -4.185 1.00 0.00 C ATOM 708 O LEU A 43 11.013 2.090 -4.552 1.00 0.00 O ATOM 709 OXT LEU A 43 9.559 0.581 -4.617 1.00 0.00 O ATOM 710 CB LEU A 43 8.075 3.298 -3.953 1.00 0.00 C ATOM 711 CG LEU A 43 7.102 2.572 -4.891 1.00 0.00 C ATOM 712 CD1 LEU A 43 6.181 1.676 -4.073 1.00 0.00 C ATOM 713 CD2 LEU A 43 6.306 3.594 -5.687 1.00 0.00 C ATOM 714 H LEU A 43 9.842 4.209 -2.356 1.00 0.00 H ATOM 715 HA LEU A 43 8.491 1.684 -2.603 1.00 0.00 H ATOM 716 1HB LEU A 43 7.483 3.854 -3.228 1.00 0.00 H ATOM 717 2HB LEU A 43 8.643 4.010 -4.551 1.00 0.00 H ATOM 718 HG LEU A 43 7.664 1.935 -5.575 1.00 0.00 H ATOM 719 1HD1 LEU A 43 5.490 1.160 -4.740 1.00 0.00 H ATOM 720 2HD1 LEU A 43 6.775 0.942 -3.529 1.00 0.00 H ATOM 721 3HD1 LEU A 43 5.617 2.284 -3.366 1.00 0.00 H ATOM 722 1HD2 LEU A 43 5.615 3.078 -6.354 1.00 0.00 H ATOM 723 2HD2 LEU A 43 5.743 4.230 -5.003 1.00 0.00 H ATOM 724 3HD2 LEU A 43 6.987 4.209 -6.275 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE nods_new_heeh_17.bp_pass_20151103061114_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_intra_sol_xover4 lk_ball_wtd fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 rama omega fa_dun p_aa_pp yhh_planarity ref total weights 1 0.55 1 0.005 1 1 1 1.25 1.17 1.17 1.17 1.1 1.25 0.25 0.625 0.7 0.4 0.625 1 NA pose -198.54 20.7741 84.9177 0.4594 5.02641 -1.99567 -20.9245 0.0107 -22.9166 -2.70476 -4.71252 -3.00733 0 -5.77239 2.70574 48.3602 -8.54293 0 7.70059 -99.1617 THR:NtermProteinFull_1 -3.27294 0.37776 2.56859 0.01155 0.0401 -0.05091 -2.04047 0 0 0 -1.14292 0 0 0 0.02109 1.2871 0 0 0.72083 -1.48022 ILE_2 -5.99084 0.89253 0.30123 0.02875 0.03494 -0.065 -1.08631 0 0 0 -0.28417 0 0 -0.03944 0.12946 0.10782 -0.16144 0 2.27849 -3.85398 GLU_3 -4.54668 0.43569 2.29623 0.00916 0.28976 -0.17347 -0.58474 0 0 0 0 0 0 -0.09105 0.00024 2.77887 -0.13688 0 -2.28137 -2.00423 ASP_4 -4.70774 0.38551 4.29345 0.00239 0.22901 -0.08763 -1.48904 0 0 0 -0.85875 0 0 -0.20739 0.20591 2.58018 -0.05126 0 -2.00354 -1.70889 ALA_5 -4.75258 0.53663 1.87346 0.00084 0 0.02414 -0.24014 0 0 0 0 0 0 -0.26718 0.03735 0 -0.25179 0 1.56209 -1.47717 ILE_6 -7.30112 0.77847 1.20808 0.02708 0.03414 -0.00876 -0.32555 0 0 0 0 0 0 0.00263 0.0076 0.11347 -0.18654 0 2.27849 -3.37203 LYS_7 -4.43193 0.18347 3.41479 0.00635 0.07094 -0.16479 -0.69502 0 0 0 0 0 0 -0.14671 0.00299 1.18047 -0.03281 0 -0.47142 -1.08368 LYS_8 -4.56797 0.38583 2.71408 0.00632 0.07162 -0.028 -0.3805 0 0 0 0 0 0 -0.21872 0.00409 1.05223 -0.05507 0 -0.47142 -1.48751 LEU_9 -7.98897 1.41031 0.45103 0.01611 0.05802 -0.00128 -0.3887 0 0 0 0 0 0 0.2324 0.41885 0.72884 -0.10536 0 1.68043 -3.48832 LEU_10 -5.07982 0.16791 1.37107 0.01299 0.02746 -0.03013 -0.19012 0 0 0 0 0 0 -0.13601 0.02861 0.36996 -0.1408 0 1.68043 -1.91846 LYS_11 -4.33096 0.25655 3.11308 0.00628 0.07064 -0.10339 -0.27991 0 0 0 0 0 0 -0.1556 0.03581 1.09559 -0.04566 0 -0.47142 -0.80898 LEU_12 -6.51853 0.64468 2.95496 0.01432 0.0291 -0.00087 -0.69864 0 0 0 0 0 0 -0.15413 0.00066 0.24522 -0.15367 0 1.68043 -1.95647 ALA_13 -3.94911 0.32833 1.66279 0.00083 0 -0.001 -0.05187 0 0 0 0 0 0 -0.23062 0.09427 0 -0.24774 0 1.56209 -0.83203 GLN_14 -3.47026 0.24269 2.9059 0.00619 0.16023 -0.12307 -0.57878 0 0 0 0 -0.44125 0 -0.23567 0.00715 2.3834 -0.17548 0 -1.60738 -0.92633 LYS_15 -3.01396 0.192 1.91386 0.00643 0.07738 -0.02274 0.04575 0 0 0 0 0 0 -0.34995 0.00011 0.87803 -0.04939 0 -0.47142 -0.79392 GLY_16 -1.54791 0.15577 1.38937 1e-05 0 -0.00484 -0.0934 0 0 0 0 0 0 -0.13562 0.01903 0 -1.01059 0 0.8121 -0.41608 GLN_17 -4.10776 0.97512 2.33605 0.01466 0.40261 -0.0487 -0.34338 0.0001 0 0 -0.66836 0 0 0.04799 1e-05 2.85412 0.12108 0 -1.60738 -0.02385 PRO_18 -2.71776 0.80362 1.2884 0.00264 0.06128 -0.04386 -0.50781 0.0106 0 0 -0.66836 0 0 -0.30105 0.32279 0.37763 -0.77414 0 -0.97642 -3.12244 TYR_19 -5.86848 0.27757 1.6964 0.02789 0.08105 -0.05315 -0.30722 0 0 0 0 0 0 0.03722 0.00329 1.85995 -0.20049 0 0.21729 -2.22868 THR_20 -3.42407 0.25885 1.69152 0.00946 0.03508 0.03446 -0.47767 0 0 0 0 -0.57477 0 -0.03075 0.33706 0.09825 -0.14647 0 0.72083 -1.4682 PHE_21 -4.71565 0.45982 0.52367 0.03831 0.16775 -0.01313 -0.79206 0 0 0 0 0 0 0.02491 0.00072 2.9573 -0.28487 0 0.45595 -1.17728 GLY_22 -1.32713 0.04055 0.9604 1e-05 0 -0.0444 -0.12972 0 0 0 0 0 0 0.18395 0.06691 0 -1.25678 0 0.8121 -0.69411 ASP_23 -1.54366 0.06079 0.98241 0.00394 0.26233 -0.04508 -0.15092 0 0 0 0 0 0 -0.24742 0.08733 2.21147 -0.26701 0 -2.00354 -0.64936 PHE_24 -5.75861 0.59446 1.2223 0.03061 0.1875 -0.0698 -0.20178 0 0 0 0 0 0 0.07543 0.01292 2.02646 -0.16378 0 0.45595 -1.58835 THR_25 -2.3788 0.11619 1.35726 0.01082 0.03636 0.07698 -0.48608 0 0 0 0 -0.57477 0 -0.04716 0.00031 0.14254 -0.07253 0 0.72083 -1.09807 VAL_26 -5.81212 1.36399 0.29862 0.01962 0.02164 0.01872 -0.66218 0 0 0 0 0 0 -0.26384 0.00196 0.83235 -0.46716 0 2.2876 -2.3608 THR_27 -2.0056 0.13063 1.4573 0.0063 0.0689 0.02871 -1.17303 0 0 0 -0.54498 -0.48764 0 0.01251 0.08431 0.00787 -0.33285 0 0.72083 -2.02675 SER_28 -3.80644 0.24144 2.85233 0.0013 0.03229 -0.14725 -0.78752 0 0 0 0 0 0 -0.09091 0.003 0.62125 -0.33674 0 0.5 -0.91725 GLU_29 -4.17606 0.39339 2.74226 0.00877 0.27819 -0.13404 -1.31648 0 0 0 0 -0.44125 0 -0.27685 0.14528 2.98371 -0.12746 0 -2.28137 -2.20192 GLU_30 -3.45903 0.21312 2.79996 0.00955 0.2646 -0.13616 -0.48198 0 0 0 0 0 0 -0.11943 0.01485 2.61663 -0.13045 0 -2.28137 -0.6897 GLU_31 -6.04443 0.373 4.38336 0.00722 0.23034 0.02823 -1.66773 0 0 0 -0.54498 -0.48764 0 -0.35631 0.03996 2.75768 -0.17366 0 -2.28137 -3.73634 ALA_32 -5.99056 1.30507 1.07595 0.00081 0 -0.00189 -0.4592 0 0 0 0 0 0 -0.17492 0.0237 0 -0.2084 0 1.56209 -2.86736 LYS_33 -4.57997 0.19441 2.85159 0.00635 0.07312 -0.07205 -0.41365 0 0 0 0 0 0 -0.2659 0.00048 0.99472 -0.05911 0 -0.47142 -1.74144 LYS_34 -4.14095 0.15546 3.1499 0.00632 0.07024 -0.11462 -0.52673 0 0 0 0 0 0 -0.14337 0.00371 1.16763 -0.0316 0 -0.47142 -0.87543 LEU_35 -7.37281 1.24895 0.62891 0.01912 0.09059 0 -0.50617 0 0 0 0 0 0 -0.13726 0.00108 1.27966 -0.14044 0 1.68043 -3.20793 ALA_36 -5.5584 0.51207 1.77472 0.00081 0 -0.01645 -0.40216 0 0 0 0 0 0 -0.11184 0.06515 0 -0.1998 0 1.56209 -2.3738 LYS_37 -4.29102 0.3098 3.06866 0.00632 0.07141 -0.01863 -0.3185 0 0 0 0 0 0 -0.20819 0.141 1.08912 -0.05364 0 -0.47142 -0.6751 TRP_38 -8.05 0.77292 2.23462 0.02384 0.3068 -0.14457 -0.38355 0 0 0 0 0 0 -0.19771 0.00647 1.60347 -0.02995 0 1.56226 -2.2954 LEU_39 -9.06801 1.21475 0.68454 0.01384 0.0292 -0.00059 -0.51418 0 0 0 0 0 0 -0.15045 0.0382 0.27313 -0.1543 0 1.68043 -5.95344 LYS_40 -4.86786 0.49548 2.73399 0.00635 0.07496 -0.0311 0.19393 0 0 0 0 0 0 -0.31311 0.20474 1.02366 -0.04884 0 -0.47142 -0.99921 LYS_41 -3.15045 0.23248 2.35868 0.00641 0.07597 -0.03868 0.07917 0 0 0 0 0 0 -0.33373 0.08146 0.90911 -0.04021 0 -0.47142 -0.29121 GLN_42 -4.33355 0.2788 2.0146 0.00754 0.4986 -0.15153 0.31149 0 0 0 0 0 0 -0.25116 0.00581 2.40814 -0.15884 0 -1.60738 -0.97747 LEU:CtermProteinFull_43 -4.51929 0.37725 1.31733 0.01499 0.4123 -0.01535 0.57807 0 0 0 0 0 0 0 0 0.46314 0 0 1.68043 0.30887 #END_POSE_ENERGIES_TABLE nods_new_heeh_17.bp_pass_20151103061114_0001.pdb AlaCount 4 bb -0.0628868 buried_minus_exposed 3981.3 buried_np 5625.15 buried_over_exposed 3.42192 cavity_volume 0 contact_all 290 contact_core_SASA 290 contact_core_SCN 290 degree 9.7907 exposed_hydrophobics 1643.85 exposed_polars 1527.67 exposed_total 3171.52 fxn_exposed_is_np 0.518316 holes 0.756985 mismatch_probability 0.232989 pack 0.573456 percent_core_SASA 0.116252 percent_core_SCN 0.139502 res_count_core_SASA 5 res_count_core_SCN 6 sidechain_neighbors -86.0835 ss_sc 0.778801 unsat_hbond 4
HEEH_rd3_0103.pdb
ATOM 1 N VAL A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA VAL A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C VAL A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O VAL A 1 1.603 2.254 -0.810 1.00 0.00 O ATOM 5 CB VAL A 1 1.992 -0.755 -1.232 1.00 0.00 C ATOM 6 CG1 VAL A 1 3.510 -0.673 -1.289 1.00 0.00 C ATOM 7 CG2 VAL A 1 1.532 -2.204 -1.191 1.00 0.00 C ATOM 8 1H VAL A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 9 2H VAL A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 10 3H VAL A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 11 HA VAL A 1 1.804 -0.509 0.900 1.00 0.00 H ATOM 12 HB VAL A 1 1.610 -0.276 -2.134 1.00 0.00 H ATOM 13 1HG1 VAL A 1 3.871 -1.211 -2.166 1.00 0.00 H ATOM 14 2HG1 VAL A 1 3.816 0.371 -1.354 1.00 0.00 H ATOM 15 3HG1 VAL A 1 3.933 -1.121 -0.390 1.00 0.00 H ATOM 16 1HG2 VAL A 1 1.912 -2.731 -2.065 1.00 0.00 H ATOM 17 2HG2 VAL A 1 1.909 -2.680 -0.286 1.00 0.00 H ATOM 18 3HG2 VAL A 1 0.442 -2.239 -1.192 1.00 0.00 H ATOM 19 N ARG A 2 2.936 1.690 0.913 1.00 0.00 N ATOM 20 CA ARG A 2 3.429 3.045 1.127 1.00 0.00 C ATOM 21 C ARG A 2 4.196 3.550 -0.089 1.00 0.00 C ATOM 22 O ARG A 2 4.249 4.753 -0.345 1.00 0.00 O ATOM 23 CB ARG A 2 4.332 3.100 2.350 1.00 0.00 C ATOM 24 CG ARG A 2 3.615 2.941 3.682 1.00 0.00 C ATOM 25 CD ARG A 2 4.471 3.362 4.820 1.00 0.00 C ATOM 26 NE ARG A 2 5.632 2.501 4.974 1.00 0.00 N ATOM 27 CZ ARG A 2 5.656 1.373 5.710 1.00 0.00 C ATOM 28 NH1 ARG A 2 4.577 0.985 6.353 1.00 0.00 N ATOM 29 NH2 ARG A 2 6.764 0.657 5.787 1.00 0.00 N ATOM 30 H ARG A 2 3.308 0.937 1.474 1.00 0.00 H ATOM 31 HA ARG A 2 2.575 3.701 1.299 1.00 0.00 H ATOM 32 1HB ARG A 2 5.082 2.313 2.284 1.00 0.00 H ATOM 33 2HB ARG A 2 4.859 4.053 2.371 1.00 0.00 H ATOM 34 1HG ARG A 2 2.714 3.554 3.685 1.00 0.00 H ATOM 35 2HG ARG A 2 3.343 1.895 3.826 1.00 0.00 H ATOM 36 1HD ARG A 2 4.822 4.381 4.654 1.00 0.00 H ATOM 37 2HD ARG A 2 3.894 3.324 5.743 1.00 0.00 H ATOM 38 HE ARG A 2 6.482 2.767 4.494 1.00 0.00 H ATOM 39 1HH1 ARG A 2 3.730 1.532 6.295 1.00 0.00 H ATOM 40 2HH1 ARG A 2 4.595 0.140 6.905 1.00 0.00 H ATOM 41 1HH2 ARG A 2 7.594 0.955 5.292 1.00 0.00 H ATOM 42 2HH2 ARG A 2 6.782 -0.188 6.338 1.00 0.00 H ATOM 43 N ILE A 3 4.788 2.624 -0.835 1.00 0.00 N ATOM 44 CA ILE A 3 5.483 2.965 -2.071 1.00 0.00 C ATOM 45 C ILE A 3 4.546 3.648 -3.059 1.00 0.00 C ATOM 46 O ILE A 3 4.894 4.668 -3.654 1.00 0.00 O ATOM 47 CB ILE A 3 6.092 1.710 -2.723 1.00 0.00 C ATOM 48 CG1 ILE A 3 7.204 1.137 -1.841 1.00 0.00 C ATOM 49 CG2 ILE A 3 6.622 2.036 -4.110 1.00 0.00 C ATOM 50 CD1 ILE A 3 7.642 -0.254 -2.238 1.00 0.00 C ATOM 51 H ILE A 3 4.755 1.659 -0.540 1.00 0.00 H ATOM 52 HA ILE A 3 6.298 3.649 -1.832 1.00 0.00 H ATOM 53 HB ILE A 3 5.328 0.938 -2.808 1.00 0.00 H ATOM 54 1HG1 ILE A 3 8.073 1.792 -1.880 1.00 0.00 H ATOM 55 2HG1 ILE A 3 6.867 1.104 -0.805 1.00 0.00 H ATOM 56 1HG2 ILE A 3 7.050 1.138 -4.556 1.00 0.00 H ATOM 57 2HG2 ILE A 3 5.808 2.399 -4.735 1.00 0.00 H ATOM 58 3HG2 ILE A 3 7.392 2.805 -4.034 1.00 0.00 H ATOM 59 1HD1 ILE A 3 8.432 -0.593 -1.567 1.00 0.00 H ATOM 60 2HD1 ILE A 3 6.793 -0.936 -2.172 1.00 0.00 H ATOM 61 3HD1 ILE A 3 8.017 -0.240 -3.261 1.00 0.00 H ATOM 62 N ALA A 4 3.358 3.080 -3.230 1.00 0.00 N ATOM 63 CA ALA A 4 2.340 3.676 -4.087 1.00 0.00 C ATOM 64 C ALA A 4 1.896 5.032 -3.555 1.00 0.00 C ATOM 65 O ALA A 4 1.715 5.980 -4.318 1.00 0.00 O ATOM 66 CB ALA A 4 1.145 2.742 -4.218 1.00 0.00 C ATOM 67 H ALA A 4 3.154 2.213 -2.754 1.00 0.00 H ATOM 68 HA ALA A 4 2.763 3.812 -5.083 1.00 0.00 H ATOM 69 1HB ALA A 4 0.393 3.201 -4.861 1.00 0.00 H ATOM 70 2HB ALA A 4 1.467 1.797 -4.654 1.00 0.00 H ATOM 71 3HB ALA A 4 0.717 2.560 -3.233 1.00 0.00 H ATOM 72 N GLU A 5 1.723 5.118 -2.240 1.00 0.00 N ATOM 73 CA GLU A 5 1.246 6.342 -1.609 1.00 0.00 C ATOM 74 C GLU A 5 2.225 7.490 -1.821 1.00 0.00 C ATOM 75 O GLU A 5 1.824 8.609 -2.140 1.00 0.00 O ATOM 76 CB GLU A 5 1.024 6.119 -0.111 1.00 0.00 C ATOM 77 CG GLU A 5 -0.147 5.205 0.222 1.00 0.00 C ATOM 78 CD GLU A 5 -0.260 4.911 1.692 1.00 0.00 C ATOM 79 OE1 GLU A 5 0.645 5.247 2.417 1.00 0.00 O ATOM 80 OE2 GLU A 5 -1.253 4.349 2.090 1.00 0.00 O ATOM 81 H GLU A 5 1.927 4.314 -1.663 1.00 0.00 H ATOM 82 HA GLU A 5 0.288 6.612 -2.057 1.00 0.00 H ATOM 83 1HB GLU A 5 1.922 5.686 0.329 1.00 0.00 H ATOM 84 2HB GLU A 5 0.849 7.077 0.378 1.00 0.00 H ATOM 85 1HG GLU A 5 -1.070 5.676 -0.115 1.00 0.00 H ATOM 86 2HG GLU A 5 -0.029 4.269 -0.323 1.00 0.00 H ATOM 87 N TRP A 6 3.510 7.204 -1.643 1.00 0.00 N ATOM 88 CA TRP A 6 4.545 8.224 -1.765 1.00 0.00 C ATOM 89 C TRP A 6 4.873 8.505 -3.226 1.00 0.00 C ATOM 90 O TRP A 6 5.317 9.599 -3.573 1.00 0.00 O ATOM 91 CB TRP A 6 5.813 7.787 -1.029 1.00 0.00 C ATOM 92 CG TRP A 6 5.764 8.036 0.448 1.00 0.00 C ATOM 93 CD1 TRP A 6 5.745 7.095 1.433 1.00 0.00 C ATOM 94 CD2 TRP A 6 5.729 9.320 1.118 1.00 0.00 C ATOM 95 NE1 TRP A 6 5.699 7.701 2.665 1.00 0.00 N ATOM 96 CE2 TRP A 6 5.690 9.062 2.491 1.00 0.00 C ATOM 97 CE3 TRP A 6 5.728 10.646 0.670 1.00 0.00 C ATOM 98 CZ2 TRP A 6 5.648 10.082 3.428 1.00 0.00 C ATOM 99 CZ3 TRP A 6 5.687 11.669 1.609 1.00 0.00 C ATOM 100 CH2 TRP A 6 5.649 11.393 2.953 1.00 0.00 C ATOM 101 H TRP A 6 3.777 6.257 -1.418 1.00 0.00 H ATOM 102 HA TRP A 6 4.181 9.143 -1.305 1.00 0.00 H ATOM 103 1HB TRP A 6 5.979 6.722 -1.191 1.00 0.00 H ATOM 104 2HB TRP A 6 6.673 8.318 -1.438 1.00 0.00 H ATOM 105 HD1 TRP A 6 5.764 6.020 1.268 1.00 0.00 H ATOM 106 HE1 TRP A 6 5.675 7.223 3.554 1.00 0.00 H ATOM 107 HE3 TRP A 6 5.761 10.871 -0.396 1.00 0.00 H ATOM 108 HZ2 TRP A 6 5.617 9.883 4.500 1.00 0.00 H ATOM 109 HZ3 TRP A 6 5.685 12.699 1.252 1.00 0.00 H ATOM 110 HH2 TRP A 6 5.617 12.220 3.663 1.00 0.00 H ATOM 111 N ALA A 7 4.651 7.511 -4.079 1.00 0.00 N ATOM 112 CA ALA A 7 4.782 7.693 -5.519 1.00 0.00 C ATOM 113 C ALA A 7 3.759 8.692 -6.044 1.00 0.00 C ATOM 114 O ALA A 7 4.087 9.573 -6.839 1.00 0.00 O ATOM 115 CB ALA A 7 4.636 6.360 -6.238 1.00 0.00 C ATOM 116 H ALA A 7 4.384 6.605 -3.720 1.00 0.00 H ATOM 117 HA ALA A 7 5.782 8.074 -5.730 1.00 0.00 H ATOM 118 1HB ALA A 7 4.737 6.513 -7.312 1.00 0.00 H ATOM 119 2HB ALA A 7 5.412 5.675 -5.894 1.00 0.00 H ATOM 120 3HB ALA A 7 3.657 5.936 -6.022 1.00 0.00 H ATOM 121 N GLU A 8 2.517 8.550 -5.594 1.00 0.00 N ATOM 122 CA GLU A 8 1.464 9.498 -5.939 1.00 0.00 C ATOM 123 C GLU A 8 1.771 10.885 -5.390 1.00 0.00 C ATOM 124 O GLU A 8 1.571 11.891 -6.071 1.00 0.00 O ATOM 125 CB GLU A 8 0.114 9.014 -5.404 1.00 0.00 C ATOM 126 CG GLU A 8 -0.448 7.796 -6.123 1.00 0.00 C ATOM 127 CD GLU A 8 -1.705 7.270 -5.489 1.00 0.00 C ATOM 128 OE1 GLU A 8 -2.068 7.754 -4.444 1.00 0.00 O ATOM 129 OE2 GLU A 8 -2.302 6.382 -6.049 1.00 0.00 O ATOM 130 H GLU A 8 2.296 7.765 -4.998 1.00 0.00 H ATOM 131 HA GLU A 8 1.395 9.559 -7.025 1.00 0.00 H ATOM 132 1HB GLU A 8 0.210 8.763 -4.347 1.00 0.00 H ATOM 133 2HB GLU A 8 -0.618 9.818 -5.484 1.00 0.00 H ATOM 134 1HG GLU A 8 -0.662 8.065 -7.157 1.00 0.00 H ATOM 135 2HG GLU A 8 0.307 7.011 -6.130 1.00 0.00 H ATOM 136 N TRP A 9 2.258 10.933 -4.155 1.00 0.00 N ATOM 137 CA TRP A 9 2.716 12.183 -3.559 1.00 0.00 C ATOM 138 C TRP A 9 3.805 12.829 -4.406 1.00 0.00 C ATOM 139 O TRP A 9 3.762 14.029 -4.678 1.00 0.00 O ATOM 140 CB TRP A 9 3.242 11.938 -2.144 1.00 0.00 C ATOM 141 CG TRP A 9 3.793 13.168 -1.489 1.00 0.00 C ATOM 142 CD1 TRP A 9 3.099 14.076 -0.747 1.00 0.00 C ATOM 143 CD2 TRP A 9 5.164 13.634 -1.514 1.00 0.00 C ATOM 144 NE1 TRP A 9 3.939 15.071 -0.311 1.00 0.00 N ATOM 145 CE2 TRP A 9 5.207 14.816 -0.770 1.00 0.00 C ATOM 146 CE3 TRP A 9 6.341 13.149 -2.098 1.00 0.00 C ATOM 147 CZ2 TRP A 9 6.382 15.529 -0.592 1.00 0.00 C ATOM 148 CZ3 TRP A 9 7.519 13.864 -1.919 1.00 0.00 C ATOM 149 CH2 TRP A 9 7.539 15.022 -1.184 1.00 0.00 C ATOM 150 H TRP A 9 2.312 10.082 -3.614 1.00 0.00 H ATOM 151 HA TRP A 9 1.869 12.867 -3.497 1.00 0.00 H ATOM 152 1HB TRP A 9 2.439 11.547 -1.519 1.00 0.00 H ATOM 153 2HB TRP A 9 4.029 11.184 -2.174 1.00 0.00 H ATOM 154 HD1 TRP A 9 2.034 14.021 -0.531 1.00 0.00 H ATOM 155 HE1 TRP A 9 3.669 15.863 0.255 1.00 0.00 H ATOM 156 HE3 TRP A 9 6.332 12.228 -2.680 1.00 0.00 H ATOM 157 HZ2 TRP A 9 6.417 16.452 -0.012 1.00 0.00 H ATOM 158 HZ3 TRP A 9 8.431 13.480 -2.378 1.00 0.00 H ATOM 159 HH2 TRP A 9 8.481 15.558 -1.064 1.00 0.00 H ATOM 160 N ALA A 10 4.780 12.027 -4.819 1.00 0.00 N ATOM 161 CA ALA A 10 5.900 12.527 -5.608 1.00 0.00 C ATOM 162 C ALA A 10 5.423 13.119 -6.928 1.00 0.00 C ATOM 163 O ALA A 10 5.936 14.142 -7.382 1.00 0.00 O ATOM 164 CB ALA A 10 6.908 11.415 -5.860 1.00 0.00 C ATOM 165 H ALA A 10 4.744 11.047 -4.582 1.00 0.00 H ATOM 166 HA ALA A 10 6.404 13.307 -5.037 1.00 0.00 H ATOM 167 1HB ALA A 10 7.738 11.804 -6.449 1.00 0.00 H ATOM 168 2HB ALA A 10 7.283 11.042 -4.907 1.00 0.00 H ATOM 169 3HB ALA A 10 6.426 10.604 -6.402 1.00 0.00 H ATOM 170 N ILE A 11 4.440 12.469 -7.541 1.00 0.00 N ATOM 171 CA ILE A 11 3.878 12.941 -8.801 1.00 0.00 C ATOM 172 C ILE A 11 3.148 14.266 -8.616 1.00 0.00 C ATOM 173 O ILE A 11 3.376 15.220 -9.359 1.00 0.00 O ATOM 174 CB ILE A 11 2.911 11.901 -9.396 1.00 0.00 C ATOM 175 CG1 ILE A 11 3.675 10.643 -9.817 1.00 0.00 C ATOM 176 CG2 ILE A 11 2.157 12.490 -10.577 1.00 0.00 C ATOM 177 CD1 ILE A 11 2.785 9.452 -10.094 1.00 0.00 C ATOM 178 H ILE A 11 4.072 11.626 -7.124 1.00 0.00 H ATOM 179 HA ILE A 11 4.693 13.087 -9.510 1.00 0.00 H ATOM 180 HB ILE A 11 2.194 11.594 -8.635 1.00 0.00 H ATOM 181 1HG1 ILE A 11 4.254 10.853 -10.716 1.00 0.00 H ATOM 182 2HG1 ILE A 11 4.380 10.365 -9.033 1.00 0.00 H ATOM 183 1HG2 ILE A 11 1.479 11.741 -10.986 1.00 0.00 H ATOM 184 2HG2 ILE A 11 1.584 13.356 -10.248 1.00 0.00 H ATOM 185 3HG2 ILE A 11 2.866 12.796 -11.347 1.00 0.00 H ATOM 186 1HD1 ILE A 11 3.399 8.600 -10.387 1.00 0.00 H ATOM 187 2HD1 ILE A 11 2.222 9.202 -9.195 1.00 0.00 H ATOM 188 3HD1 ILE A 11 2.095 9.695 -10.901 1.00 0.00 H ATOM 189 N LYS A 12 2.269 14.318 -7.621 1.00 0.00 N ATOM 190 CA LYS A 12 1.436 15.493 -7.395 1.00 0.00 C ATOM 191 C LYS A 12 2.282 16.706 -7.031 1.00 0.00 C ATOM 192 O LYS A 12 2.007 17.822 -7.474 1.00 0.00 O ATOM 193 CB LYS A 12 0.411 15.218 -6.294 1.00 0.00 C ATOM 194 CG LYS A 12 -0.689 14.241 -6.688 1.00 0.00 C ATOM 195 CD LYS A 12 -1.634 13.974 -5.525 1.00 0.00 C ATOM 196 CE LYS A 12 -2.710 12.968 -5.905 1.00 0.00 C ATOM 197 NZ LYS A 12 -3.625 12.676 -4.769 1.00 0.00 N ATOM 198 H LYS A 12 2.176 13.523 -7.005 1.00 0.00 H ATOM 199 HA LYS A 12 0.888 15.710 -8.312 1.00 0.00 H ATOM 200 1HB LYS A 12 0.917 14.815 -5.416 1.00 0.00 H ATOM 201 2HB LYS A 12 -0.064 16.154 -5.997 1.00 0.00 H ATOM 202 1HG LYS A 12 -1.260 14.653 -7.522 1.00 0.00 H ATOM 203 2HG LYS A 12 -0.243 13.300 -7.006 1.00 0.00 H ATOM 204 1HD LYS A 12 -1.067 13.586 -4.678 1.00 0.00 H ATOM 205 2HD LYS A 12 -2.112 14.906 -5.224 1.00 0.00 H ATOM 206 1HE LYS A 12 -3.295 13.358 -6.737 1.00 0.00 H ATOM 207 2HE LYS A 12 -2.241 12.037 -6.225 1.00 0.00 H ATOM 208 1HZ LYS A 12 -4.322 12.005 -5.061 1.00 0.00 H ATOM 209 2HZ LYS A 12 -3.095 12.295 -3.998 1.00 0.00 H ATOM 210 3HZ LYS A 12 -4.081 13.528 -4.476 1.00 0.00 H ATOM 211 N LYS A 13 3.313 16.482 -6.224 1.00 0.00 N ATOM 212 CA LYS A 13 4.165 17.566 -5.750 1.00 0.00 C ATOM 213 C LYS A 13 5.295 17.849 -6.731 1.00 0.00 C ATOM 214 O LYS A 13 5.743 18.988 -6.865 1.00 0.00 O ATOM 215 CB LYS A 13 4.737 17.234 -4.371 1.00 0.00 C ATOM 216 CG LYS A 13 3.690 17.085 -3.274 1.00 0.00 C ATOM 217 CD LYS A 13 2.906 18.374 -3.079 1.00 0.00 C ATOM 218 CE LYS A 13 1.911 18.250 -1.936 1.00 0.00 C ATOM 219 NZ LYS A 13 1.108 19.490 -1.760 1.00 0.00 N ATOM 220 H LYS A 13 3.512 15.536 -5.931 1.00 0.00 H ATOM 221 HA LYS A 13 3.556 18.466 -5.649 1.00 0.00 H ATOM 222 1HB LYS A 13 5.300 16.302 -4.425 1.00 0.00 H ATOM 223 2HB LYS A 13 5.431 18.018 -4.066 1.00 0.00 H ATOM 224 1HG LYS A 13 2.998 16.285 -3.539 1.00 0.00 H ATOM 225 2HG LYS A 13 4.180 16.822 -2.337 1.00 0.00 H ATOM 226 1HD LYS A 13 3.597 19.190 -2.862 1.00 0.00 H ATOM 227 2HD LYS A 13 2.365 18.613 -3.995 1.00 0.00 H ATOM 228 1HE LYS A 13 1.235 17.418 -2.131 1.00 0.00 H ATOM 229 2HE LYS A 13 2.445 18.044 -1.008 1.00 0.00 H ATOM 230 1HZ LYS A 13 0.461 19.367 -0.993 1.00 0.00 H ATOM 231 2HZ LYS A 13 1.724 20.265 -1.559 1.00 0.00 H ATOM 232 3HZ LYS A 13 0.592 19.681 -2.607 1.00 0.00 H ATOM 233 N GLY A 14 5.751 16.806 -7.417 1.00 0.00 N ATOM 234 CA GLY A 14 6.906 16.916 -8.300 1.00 0.00 C ATOM 235 C GLY A 14 8.209 16.848 -7.514 1.00 0.00 C ATOM 236 O GLY A 14 9.198 17.483 -7.878 1.00 0.00 O ATOM 237 H GLY A 14 5.286 15.915 -7.323 1.00 0.00 H ATOM 238 1HA GLY A 14 6.878 16.113 -9.037 1.00 0.00 H ATOM 239 2HA GLY A 14 6.856 17.856 -8.848 1.00 0.00 H ATOM 240 N LYS A 15 8.203 16.072 -6.435 1.00 0.00 N ATOM 241 CA LYS A 15 9.321 16.054 -5.499 1.00 0.00 C ATOM 242 C LYS A 15 9.835 14.636 -5.283 1.00 0.00 C ATOM 243 O LYS A 15 9.067 13.674 -5.324 1.00 0.00 O ATOM 244 CB LYS A 15 8.911 16.674 -4.163 1.00 0.00 C ATOM 245 CG LYS A 15 8.539 18.149 -4.242 1.00 0.00 C ATOM 246 CD LYS A 15 8.161 18.697 -2.874 1.00 0.00 C ATOM 247 CE LYS A 15 7.749 20.160 -2.957 1.00 0.00 C ATOM 248 NZ LYS A 15 7.399 20.716 -1.622 1.00 0.00 N ATOM 249 H LYS A 15 7.404 15.480 -6.259 1.00 0.00 H ATOM 250 HA LYS A 15 10.128 16.659 -5.913 1.00 0.00 H ATOM 251 1HB LYS A 15 8.054 16.134 -3.759 1.00 0.00 H ATOM 252 2HB LYS A 15 9.728 16.573 -3.448 1.00 0.00 H ATOM 253 1HG LYS A 15 9.385 18.717 -4.630 1.00 0.00 H ATOM 254 2HG LYS A 15 7.697 18.276 -4.920 1.00 0.00 H ATOM 255 1HD LYS A 15 7.333 18.117 -2.465 1.00 0.00 H ATOM 256 2HD LYS A 15 9.012 18.608 -2.198 1.00 0.00 H ATOM 257 1HE LYS A 15 8.565 20.744 -3.379 1.00 0.00 H ATOM 258 2HE LYS A 15 6.885 20.257 -3.615 1.00 0.00 H ATOM 259 1HZ LYS A 15 7.131 21.686 -1.721 1.00 0.00 H ATOM 260 2HZ LYS A 15 6.629 20.193 -1.230 1.00 0.00 H ATOM 261 3HZ LYS A 15 8.199 20.649 -1.009 1.00 0.00 H ATOM 262 N PRO A 16 11.138 14.513 -5.053 1.00 0.00 N ATOM 263 CA PRO A 16 11.749 13.217 -4.783 1.00 0.00 C ATOM 264 C PRO A 16 11.391 12.719 -3.388 1.00 0.00 C ATOM 265 O PRO A 16 11.089 13.510 -2.495 1.00 0.00 O ATOM 266 CB PRO A 16 13.247 13.510 -4.911 1.00 0.00 C ATOM 267 CG PRO A 16 13.377 14.938 -4.507 1.00 0.00 C ATOM 268 CD PRO A 16 12.146 15.599 -5.067 1.00 0.00 C ATOM 269 HA PRO A 16 11.378 12.500 -5.516 1.00 0.00 H ATOM 270 1HB PRO A 16 13.820 12.829 -4.264 1.00 0.00 H ATOM 271 2HB PRO A 16 13.579 13.326 -5.944 1.00 0.00 H ATOM 272 1HG PRO A 16 13.440 15.019 -3.412 1.00 0.00 H ATOM 273 2HG PRO A 16 14.307 15.365 -4.911 1.00 0.00 H ATOM 274 1HD PRO A 16 11.849 16.435 -4.416 1.00 0.00 H ATOM 275 2HD PRO A 16 12.353 15.957 -6.087 1.00 0.00 H ATOM 276 N VAL A 17 11.427 11.403 -3.209 1.00 0.00 N ATOM 277 CA VAL A 17 11.134 10.798 -1.915 1.00 0.00 C ATOM 278 C VAL A 17 11.844 9.460 -1.758 1.00 0.00 C ATOM 279 O VAL A 17 11.877 8.652 -2.686 1.00 0.00 O ATOM 280 CB VAL A 17 9.616 10.592 -1.753 1.00 0.00 C ATOM 281 CG1 VAL A 17 9.079 9.696 -2.859 1.00 0.00 C ATOM 282 CG2 VAL A 17 9.316 9.999 -0.385 1.00 0.00 C ATOM 283 H VAL A 17 11.664 10.806 -3.988 1.00 0.00 H ATOM 284 HA VAL A 17 11.481 11.472 -1.131 1.00 0.00 H ATOM 285 HB VAL A 17 9.115 11.556 -1.850 1.00 0.00 H ATOM 286 1HG1 VAL A 17 8.005 9.561 -2.730 1.00 0.00 H ATOM 287 2HG1 VAL A 17 9.273 10.157 -3.828 1.00 0.00 H ATOM 288 3HG1 VAL A 17 9.574 8.726 -2.813 1.00 0.00 H ATOM 289 1HG2 VAL A 17 8.241 9.857 -0.278 1.00 0.00 H ATOM 290 2HG2 VAL A 17 9.822 9.038 -0.287 1.00 0.00 H ATOM 291 3HG2 VAL A 17 9.672 10.677 0.391 1.00 0.00 H ATOM 292 N THR A 18 12.412 9.232 -0.579 1.00 0.00 N ATOM 293 CA THR A 18 12.973 7.930 -0.238 1.00 0.00 C ATOM 294 C THR A 18 11.987 7.101 0.575 1.00 0.00 C ATOM 295 O THR A 18 11.461 7.562 1.589 1.00 0.00 O ATOM 296 CB THR A 18 14.290 8.082 0.545 1.00 0.00 C ATOM 297 OG1 THR A 18 15.252 8.774 -0.261 1.00 0.00 O ATOM 298 CG2 THR A 18 14.843 6.717 0.928 1.00 0.00 C ATOM 299 H THR A 18 12.457 9.980 0.098 1.00 0.00 H ATOM 300 HA THR A 18 13.198 7.397 -1.162 1.00 0.00 H ATOM 301 HB THR A 18 14.110 8.662 1.451 1.00 0.00 H ATOM 302 HG1 THR A 18 15.853 8.139 -0.657 1.00 0.00 H ATOM 303 1HG2 THR A 18 15.774 6.844 1.481 1.00 0.00 H ATOM 304 2HG2 THR A 18 14.119 6.193 1.551 1.00 0.00 H ATOM 305 3HG2 THR A 18 15.034 6.136 0.027 1.00 0.00 H ATOM 306 N ILE A 19 11.739 5.876 0.125 1.00 0.00 N ATOM 307 CA ILE A 19 10.681 5.050 0.695 1.00 0.00 C ATOM 308 C ILE A 19 11.243 3.755 1.268 1.00 0.00 C ATOM 309 O ILE A 19 11.987 3.039 0.597 1.00 0.00 O ATOM 310 CB ILE A 19 9.610 4.723 -0.361 1.00 0.00 C ATOM 311 CG1 ILE A 19 9.075 6.010 -0.995 1.00 0.00 C ATOM 312 CG2 ILE A 19 8.477 3.921 0.260 1.00 0.00 C ATOM 313 CD1 ILE A 19 8.355 5.792 -2.306 1.00 0.00 C ATOM 314 H ILE A 19 12.298 5.508 -0.631 1.00 0.00 H ATOM 315 HA ILE A 19 10.201 5.608 1.499 1.00 0.00 H ATOM 316 HB ILE A 19 10.058 4.139 -1.165 1.00 0.00 H ATOM 317 1HG1 ILE A 19 8.387 6.496 -0.304 1.00 0.00 H ATOM 318 2HG1 ILE A 19 9.901 6.700 -1.171 1.00 0.00 H ATOM 319 1HG2 ILE A 19 7.728 3.700 -0.500 1.00 0.00 H ATOM 320 2HG2 ILE A 19 8.870 2.990 0.665 1.00 0.00 H ATOM 321 3HG2 ILE A 19 8.019 4.500 1.063 1.00 0.00 H ATOM 322 1HD1 ILE A 19 8.006 6.749 -2.693 1.00 0.00 H ATOM 323 2HD1 ILE A 19 9.038 5.337 -3.025 1.00 0.00 H ATOM 324 3HD1 ILE A 19 7.503 5.133 -2.148 1.00 0.00 H ATOM 325 N HIS A 20 10.881 3.458 2.511 1.00 0.00 N ATOM 326 CA HIS A 20 11.243 2.189 3.132 1.00 0.00 C ATOM 327 C HIS A 20 10.005 1.361 3.455 1.00 0.00 C ATOM 328 O HIS A 20 9.289 1.646 4.415 1.00 0.00 O ATOM 329 CB HIS A 20 12.055 2.424 4.410 1.00 0.00 C ATOM 330 CG HIS A 20 13.341 3.155 4.180 1.00 0.00 C ATOM 331 ND1 HIS A 20 14.431 2.569 3.572 1.00 0.00 N ATOM 332 CD2 HIS A 20 13.711 4.423 4.477 1.00 0.00 C ATOM 333 CE1 HIS A 20 15.417 3.447 3.504 1.00 0.00 C ATOM 334 NE2 HIS A 20 15.006 4.578 4.046 1.00 0.00 N ATOM 335 H HIS A 20 10.342 4.128 3.040 1.00 0.00 H ATOM 336 HA HIS A 20 11.867 1.628 2.435 1.00 0.00 H ATOM 337 1HB HIS A 20 11.458 2.998 5.120 1.00 0.00 H ATOM 338 2HB HIS A 20 12.285 1.466 4.876 1.00 0.00 H ATOM 339 HD1 HIS A 20 14.461 1.656 3.164 1.00 0.00 H ATOM 340 HD2 HIS A 20 13.192 5.253 4.957 1.00 0.00 H ATOM 341 HE1 HIS A 20 16.371 3.175 3.053 1.00 0.00 H ATOM 342 N TYR A 21 9.759 0.336 2.647 1.00 0.00 N ATOM 343 CA TYR A 21 8.584 -0.510 2.820 1.00 0.00 C ATOM 344 C TYR A 21 8.949 -1.986 2.724 1.00 0.00 C ATOM 345 O TYR A 21 9.401 -2.457 1.680 1.00 0.00 O ATOM 346 CB TYR A 21 7.515 -0.160 1.782 1.00 0.00 C ATOM 347 CG TYR A 21 6.281 -1.032 1.858 1.00 0.00 C ATOM 348 CD1 TYR A 21 5.216 -0.658 2.664 1.00 0.00 C ATOM 349 CD2 TYR A 21 6.215 -2.205 1.121 1.00 0.00 C ATOM 350 CE1 TYR A 21 4.090 -1.455 2.733 1.00 0.00 C ATOM 351 CE2 TYR A 21 5.089 -3.001 1.190 1.00 0.00 C ATOM 352 CZ TYR A 21 4.029 -2.630 1.993 1.00 0.00 C ATOM 353 OH TYR A 21 2.907 -3.423 2.061 1.00 0.00 O ATOM 354 H TYR A 21 10.402 0.137 1.894 1.00 0.00 H ATOM 355 HA TYR A 21 8.161 -0.318 3.806 1.00 0.00 H ATOM 356 1HB TYR A 21 7.207 0.879 1.914 1.00 0.00 H ATOM 357 2HB TYR A 21 7.936 -0.252 0.781 1.00 0.00 H ATOM 358 HD1 TYR A 21 5.268 0.264 3.243 1.00 0.00 H ATOM 359 HD2 TYR A 21 7.053 -2.499 0.488 1.00 0.00 H ATOM 360 HE1 TYR A 21 3.253 -1.161 3.367 1.00 0.00 H ATOM 361 HE2 TYR A 21 5.037 -3.924 0.612 1.00 0.00 H ATOM 362 HH TYR A 21 3.025 -4.192 1.499 1.00 0.00 H ATOM 363 N GLY A 22 8.750 -2.712 3.819 1.00 0.00 N ATOM 364 CA GLY A 22 9.064 -4.135 3.862 1.00 0.00 C ATOM 365 C GLY A 22 10.550 -4.379 3.632 1.00 0.00 C ATOM 366 O GLY A 22 11.397 -3.779 4.294 1.00 0.00 O ATOM 367 H GLY A 22 8.372 -2.266 4.642 1.00 0.00 H ATOM 368 1HA GLY A 22 8.770 -4.543 4.829 1.00 0.00 H ATOM 369 2HA GLY A 22 8.484 -4.659 3.103 1.00 0.00 H ATOM 370 N ASN A 23 10.860 -5.262 2.689 1.00 0.00 N ATOM 371 CA ASN A 23 12.244 -5.545 2.330 1.00 0.00 C ATOM 372 C ASN A 23 12.657 -4.780 1.080 1.00 0.00 C ATOM 373 O ASN A 23 13.693 -5.066 0.479 1.00 0.00 O ATOM 374 CB ASN A 23 12.452 -7.036 2.136 1.00 0.00 C ATOM 375 CG ASN A 23 12.328 -7.809 3.420 1.00 0.00 C ATOM 376 OD1 ASN A 23 12.814 -7.373 4.470 1.00 0.00 O ATOM 377 ND2 ASN A 23 11.686 -8.947 3.357 1.00 0.00 N ATOM 378 H ASN A 23 10.118 -5.750 2.208 1.00 0.00 H ATOM 379 HA ASN A 23 12.886 -5.237 3.156 1.00 0.00 H ATOM 380 1HB ASN A 23 11.717 -7.417 1.425 1.00 0.00 H ATOM 381 2HB ASN A 23 13.440 -7.214 1.713 1.00 0.00 H ATOM 382 1HD2 ASN A 23 11.573 -9.504 4.181 1.00 0.00 H ATOM 383 2HD2 ASN A 23 11.309 -9.261 2.486 1.00 0.00 H ATOM 384 N VAL A 24 11.841 -3.806 0.692 1.00 0.00 N ATOM 385 CA VAL A 24 12.093 -3.031 -0.517 1.00 0.00 C ATOM 386 C VAL A 24 12.279 -1.553 -0.196 1.00 0.00 C ATOM 387 O VAL A 24 11.399 -0.919 0.385 1.00 0.00 O ATOM 388 CB VAL A 24 10.926 -3.194 -1.509 1.00 0.00 C ATOM 389 CG1 VAL A 24 11.169 -2.362 -2.759 1.00 0.00 C ATOM 390 CG2 VAL A 24 10.750 -4.663 -1.864 1.00 0.00 C ATOM 391 H VAL A 24 11.025 -3.596 1.250 1.00 0.00 H ATOM 392 HA VAL A 24 13.004 -3.405 -0.984 1.00 0.00 H ATOM 393 HB VAL A 24 10.013 -2.820 -1.046 1.00 0.00 H ATOM 394 1HG1 VAL A 24 10.334 -2.489 -3.449 1.00 0.00 H ATOM 395 2HG1 VAL A 24 11.256 -1.311 -2.485 1.00 0.00 H ATOM 396 3HG1 VAL A 24 12.090 -2.690 -3.241 1.00 0.00 H ATOM 397 1HG2 VAL A 24 9.923 -4.771 -2.565 1.00 0.00 H ATOM 398 2HG2 VAL A 24 11.665 -5.039 -2.321 1.00 0.00 H ATOM 399 3HG2 VAL A 24 10.536 -5.233 -0.960 1.00 0.00 H ATOM 400 N THR A 25 13.430 -1.011 -0.577 1.00 0.00 N ATOM 401 CA THR A 25 13.669 0.424 -0.483 1.00 0.00 C ATOM 402 C THR A 25 13.632 1.081 -1.857 1.00 0.00 C ATOM 403 O THR A 25 14.263 0.605 -2.800 1.00 0.00 O ATOM 404 CB THR A 25 15.021 0.718 0.194 1.00 0.00 C ATOM 405 OG1 THR A 25 14.998 0.236 1.544 1.00 0.00 O ATOM 406 CG2 THR A 25 15.302 2.213 0.198 1.00 0.00 C ATOM 407 H THR A 25 14.159 -1.608 -0.942 1.00 0.00 H ATOM 408 HA THR A 25 12.888 0.865 0.137 1.00 0.00 H ATOM 409 HB THR A 25 15.817 0.205 -0.346 1.00 0.00 H ATOM 410 HG1 THR A 25 15.206 -0.701 1.552 1.00 0.00 H ATOM 411 1HG2 THR A 25 16.262 2.401 0.679 1.00 0.00 H ATOM 412 2HG2 THR A 25 15.332 2.580 -0.828 1.00 0.00 H ATOM 413 3HG2 THR A 25 14.515 2.729 0.745 1.00 0.00 H ATOM 414 N VAL A 26 12.887 2.176 -1.963 1.00 0.00 N ATOM 415 CA VAL A 26 12.667 2.831 -3.247 1.00 0.00 C ATOM 416 C VAL A 26 13.180 4.265 -3.230 1.00 0.00 C ATOM 417 O VAL A 26 12.855 5.039 -2.329 1.00 0.00 O ATOM 418 CB VAL A 26 11.167 2.829 -3.598 1.00 0.00 C ATOM 419 CG1 VAL A 26 10.913 3.649 -4.853 1.00 0.00 C ATOM 420 CG2 VAL A 26 10.679 1.400 -3.779 1.00 0.00 C ATOM 421 H VAL A 26 12.464 2.566 -1.133 1.00 0.00 H ATOM 422 HA VAL A 26 13.207 2.276 -4.016 1.00 0.00 H ATOM 423 HB VAL A 26 10.614 3.303 -2.787 1.00 0.00 H ATOM 424 1HG1 VAL A 26 9.847 3.638 -5.086 1.00 0.00 H ATOM 425 2HG1 VAL A 26 11.236 4.677 -4.688 1.00 0.00 H ATOM 426 3HG1 VAL A 26 11.470 3.222 -5.687 1.00 0.00 H ATOM 427 1HG2 VAL A 26 9.618 1.406 -4.026 1.00 0.00 H ATOM 428 2HG2 VAL A 26 11.237 0.925 -4.586 1.00 0.00 H ATOM 429 3HG2 VAL A 26 10.834 0.843 -2.855 1.00 0.00 H ATOM 430 N GLN A 27 13.982 4.614 -4.230 1.00 0.00 N ATOM 431 CA GLN A 27 14.418 5.992 -4.418 1.00 0.00 C ATOM 432 C GLN A 27 13.746 6.621 -5.632 1.00 0.00 C ATOM 433 O GLN A 27 14.033 6.255 -6.771 1.00 0.00 O ATOM 434 CB GLN A 27 15.940 6.057 -4.570 1.00 0.00 C ATOM 435 CG GLN A 27 16.488 7.463 -4.745 1.00 0.00 C ATOM 436 CD GLN A 27 18.001 7.486 -4.847 1.00 0.00 C ATOM 437 OE1 GLN A 27 18.684 6.584 -4.352 1.00 0.00 O ATOM 438 NE2 GLN A 27 18.535 8.518 -5.490 1.00 0.00 N ATOM 439 H GLN A 27 14.298 3.905 -4.877 1.00 0.00 H ATOM 440 HA GLN A 27 14.145 6.565 -3.531 1.00 0.00 H ATOM 441 1HB GLN A 27 16.412 5.618 -3.692 1.00 0.00 H ATOM 442 2HB GLN A 27 16.244 5.468 -5.435 1.00 0.00 H ATOM 443 1HG GLN A 27 16.078 7.891 -5.660 1.00 0.00 H ATOM 444 2HG GLN A 27 16.194 8.066 -3.886 1.00 0.00 H ATOM 445 1HE2 GLN A 27 19.529 8.587 -5.589 1.00 0.00 H ATOM 446 2HE2 GLN A 27 17.945 9.226 -5.876 1.00 0.00 H ATOM 447 N ILE A 28 12.850 7.570 -5.380 1.00 0.00 N ATOM 448 CA ILE A 28 12.209 8.321 -6.453 1.00 0.00 C ATOM 449 C ILE A 28 12.870 9.680 -6.645 1.00 0.00 C ATOM 450 O ILE A 28 12.878 10.511 -5.737 1.00 0.00 O ATOM 451 CB ILE A 28 10.709 8.516 -6.166 1.00 0.00 C ATOM 452 CG1 ILE A 28 9.988 7.165 -6.153 1.00 0.00 C ATOM 453 CG2 ILE A 28 10.086 9.445 -7.197 1.00 0.00 C ATOM 454 CD1 ILE A 28 8.553 7.243 -5.683 1.00 0.00 C ATOM 455 H ILE A 28 12.607 7.776 -4.422 1.00 0.00 H ATOM 456 HA ILE A 28 12.303 7.752 -7.378 1.00 0.00 H ATOM 457 HB ILE A 28 10.581 8.950 -5.175 1.00 0.00 H ATOM 458 1HG1 ILE A 28 9.996 6.739 -7.155 1.00 0.00 H ATOM 459 2HG1 ILE A 28 10.522 6.474 -5.500 1.00 0.00 H ATOM 460 1HG2 ILE A 28 9.026 9.571 -6.980 1.00 0.00 H ATOM 461 2HG2 ILE A 28 10.581 10.414 -7.159 1.00 0.00 H ATOM 462 3HG2 ILE A 28 10.204 9.016 -8.192 1.00 0.00 H ATOM 463 1HD1 ILE A 28 8.110 6.247 -5.701 1.00 0.00 H ATOM 464 2HD1 ILE A 28 8.524 7.635 -4.666 1.00 0.00 H ATOM 465 3HD1 ILE A 28 7.990 7.902 -6.342 1.00 0.00 H ATOM 466 N ASP A 29 13.424 9.900 -7.833 1.00 0.00 N ATOM 467 CA ASP A 29 14.098 11.155 -8.143 1.00 0.00 C ATOM 468 C ASP A 29 13.200 12.075 -8.960 1.00 0.00 C ATOM 469 O ASP A 29 13.242 13.296 -8.808 1.00 0.00 O ATOM 470 CB ASP A 29 15.398 10.891 -8.906 1.00 0.00 C ATOM 471 CG ASP A 29 16.400 10.072 -8.104 1.00 0.00 C ATOM 472 OD1 ASP A 29 16.666 10.429 -6.981 1.00 0.00 O ATOM 473 OD2 ASP A 29 16.891 9.098 -8.622 1.00 0.00 O ATOM 474 H ASP A 29 13.377 9.179 -8.539 1.00 0.00 H ATOM 475 HA ASP A 29 14.349 11.654 -7.206 1.00 0.00 H ATOM 476 1HB ASP A 29 15.175 10.360 -9.832 1.00 0.00 H ATOM 477 2HB ASP A 29 15.860 11.841 -9.177 1.00 0.00 H ATOM 478 N THR A 30 12.388 11.482 -9.829 1.00 0.00 N ATOM 479 CA THR A 30 11.558 12.250 -10.749 1.00 0.00 C ATOM 480 C THR A 30 10.118 11.753 -10.739 1.00 0.00 C ATOM 481 O THR A 30 9.806 10.740 -10.113 1.00 0.00 O ATOM 482 CB THR A 30 12.117 12.187 -12.183 1.00 0.00 C ATOM 483 OG1 THR A 30 12.028 10.844 -12.675 1.00 0.00 O ATOM 484 CG2 THR A 30 13.569 12.638 -12.210 1.00 0.00 C ATOM 485 H THR A 30 12.344 10.473 -9.852 1.00 0.00 H ATOM 486 HA THR A 30 11.570 13.295 -10.436 1.00 0.00 H ATOM 487 HB THR A 30 11.528 12.837 -12.831 1.00 0.00 H ATOM 488 HG1 THR A 30 12.829 10.626 -13.157 1.00 0.00 H ATOM 489 1HG2 THR A 30 13.947 12.588 -13.231 1.00 0.00 H ATOM 490 2HG2 THR A 30 13.638 13.664 -11.847 1.00 0.00 H ATOM 491 3HG2 THR A 30 14.164 11.987 -11.571 1.00 0.00 H ATOM 492 N GLN A 31 9.245 12.471 -11.436 1.00 0.00 N ATOM 493 CA GLN A 31 7.855 12.056 -11.583 1.00 0.00 C ATOM 494 C GLN A 31 7.747 10.767 -12.388 1.00 0.00 C ATOM 495 O GLN A 31 6.916 9.908 -12.095 1.00 0.00 O ATOM 496 CB GLN A 31 7.033 13.160 -12.252 1.00 0.00 C ATOM 497 CG GLN A 31 6.823 14.391 -11.387 1.00 0.00 C ATOM 498 CD GLN A 31 6.131 15.514 -12.136 1.00 0.00 C ATOM 499 OE1 GLN A 31 6.599 15.959 -13.188 1.00 0.00 O ATOM 500 NE2 GLN A 31 5.009 15.979 -11.599 1.00 0.00 N ATOM 501 H GLN A 31 9.551 13.327 -11.876 1.00 0.00 H ATOM 502 HA GLN A 31 7.438 11.883 -10.590 1.00 0.00 H ATOM 503 1HB GLN A 31 7.527 13.475 -13.172 1.00 0.00 H ATOM 504 2HB GLN A 31 6.052 12.770 -12.525 1.00 0.00 H ATOM 505 1HG GLN A 31 6.206 14.120 -10.531 1.00 0.00 H ATOM 506 2HG GLN A 31 7.794 14.754 -11.049 1.00 0.00 H ATOM 507 1HE2 GLN A 31 4.507 16.720 -12.048 1.00 0.00 H ATOM 508 2HE2 GLN A 31 4.664 15.589 -10.744 1.00 0.00 H ATOM 509 N ASP A 32 8.593 10.638 -13.405 1.00 0.00 N ATOM 510 CA ASP A 32 8.642 9.425 -14.211 1.00 0.00 C ATOM 511 C ASP A 32 9.066 8.224 -13.375 1.00 0.00 C ATOM 512 O ASP A 32 8.519 7.131 -13.519 1.00 0.00 O ATOM 513 CB ASP A 32 9.606 9.601 -15.387 1.00 0.00 C ATOM 514 CG ASP A 32 9.074 10.551 -16.452 1.00 0.00 C ATOM 515 OD1 ASP A 32 7.897 10.824 -16.442 1.00 0.00 O ATOM 516 OD2 ASP A 32 9.850 10.994 -17.265 1.00 0.00 O ATOM 517 H ASP A 32 9.218 11.401 -13.624 1.00 0.00 H ATOM 518 HA ASP A 32 7.646 9.236 -14.614 1.00 0.00 H ATOM 519 1HB ASP A 32 10.559 9.984 -15.023 1.00 0.00 H ATOM 520 2HB ASP A 32 9.798 8.632 -15.849 1.00 0.00 H ATOM 521 N ALA A 33 10.045 8.434 -12.501 1.00 0.00 N ATOM 522 CA ALA A 33 10.460 7.406 -11.554 1.00 0.00 C ATOM 523 C ALA A 33 9.314 7.012 -10.631 1.00 0.00 C ATOM 524 O ALA A 33 9.122 5.833 -10.333 1.00 0.00 O ATOM 525 CB ALA A 33 11.653 7.887 -10.740 1.00 0.00 C ATOM 526 H ALA A 33 10.513 9.329 -12.492 1.00 0.00 H ATOM 527 HA ALA A 33 10.776 6.526 -12.115 1.00 0.00 H ATOM 528 1HB ALA A 33 11.951 7.108 -10.038 1.00 0.00 H ATOM 529 2HB ALA A 33 12.484 8.109 -11.409 1.00 0.00 H ATOM 530 3HB ALA A 33 11.379 8.786 -10.190 1.00 0.00 H ATOM 531 N ALA A 34 8.554 8.005 -10.182 1.00 0.00 N ATOM 532 CA ALA A 34 7.409 7.761 -9.313 1.00 0.00 C ATOM 533 C ALA A 34 6.375 6.878 -9.999 1.00 0.00 C ATOM 534 O ALA A 34 5.846 5.943 -9.398 1.00 0.00 O ATOM 535 CB ALA A 34 6.778 9.079 -8.886 1.00 0.00 C ATOM 536 H ALA A 34 8.776 8.954 -10.449 1.00 0.00 H ATOM 537 HA ALA A 34 7.759 7.255 -8.413 1.00 0.00 H ATOM 538 1HB ALA A 34 5.924 8.880 -8.238 1.00 0.00 H ATOM 539 2HB ALA A 34 7.513 9.675 -8.345 1.00 0.00 H ATOM 540 3HB ALA A 34 6.445 9.625 -9.767 1.00 0.00 H ATOM 541 N LYS A 35 6.091 7.179 -11.262 1.00 0.00 N ATOM 542 CA LYS A 35 5.099 6.430 -12.024 1.00 0.00 C ATOM 543 C LYS A 35 5.523 4.978 -12.202 1.00 0.00 C ATOM 544 O LYS A 35 4.698 4.067 -12.129 1.00 0.00 O ATOM 545 CB LYS A 35 4.868 7.081 -13.388 1.00 0.00 C ATOM 546 CG LYS A 35 4.124 8.409 -13.333 1.00 0.00 C ATOM 547 CD LYS A 35 3.977 9.018 -14.720 1.00 0.00 C ATOM 548 CE LYS A 35 3.257 10.357 -14.663 1.00 0.00 C ATOM 549 NZ LYS A 35 3.120 10.972 -16.012 1.00 0.00 N ATOM 550 H LYS A 35 6.575 7.947 -11.705 1.00 0.00 H ATOM 551 HA LYS A 35 4.154 6.454 -11.480 1.00 0.00 H ATOM 552 1HB LYS A 35 5.827 7.256 -13.876 1.00 0.00 H ATOM 553 2HB LYS A 35 4.297 6.404 -14.023 1.00 0.00 H ATOM 554 1HG LYS A 35 3.132 8.253 -12.908 1.00 0.00 H ATOM 555 2HG LYS A 35 4.668 9.105 -12.696 1.00 0.00 H ATOM 556 1HD LYS A 35 4.965 9.164 -15.159 1.00 0.00 H ATOM 557 2HD LYS A 35 3.412 8.339 -15.358 1.00 0.00 H ATOM 558 1HE LYS A 35 2.264 10.218 -14.238 1.00 0.00 H ATOM 559 2HE LYS A 35 3.811 11.042 -14.021 1.00 0.00 H ATOM 560 1HZ LYS A 35 2.639 11.857 -15.931 1.00 0.00 H ATOM 561 2HZ LYS A 35 4.037 11.123 -16.408 1.00 0.00 H ATOM 562 3HZ LYS A 35 2.591 10.356 -16.611 1.00 0.00 H ATOM 563 N TYR A 36 6.814 4.768 -12.436 1.00 0.00 N ATOM 564 CA TYR A 36 7.371 3.422 -12.505 1.00 0.00 C ATOM 565 C TYR A 36 7.127 2.658 -11.210 1.00 0.00 C ATOM 566 O TYR A 36 6.587 1.552 -11.223 1.00 0.00 O ATOM 567 CB TYR A 36 8.869 3.478 -12.814 1.00 0.00 C ATOM 568 CG TYR A 36 9.560 2.135 -12.732 1.00 0.00 C ATOM 569 CD1 TYR A 36 9.473 1.244 -13.792 1.00 0.00 C ATOM 570 CD2 TYR A 36 10.280 1.794 -11.596 1.00 0.00 C ATOM 571 CE1 TYR A 36 10.104 0.018 -13.717 1.00 0.00 C ATOM 572 CE2 TYR A 36 10.911 0.567 -11.521 1.00 0.00 C ATOM 573 CZ TYR A 36 10.824 -0.319 -12.576 1.00 0.00 C ATOM 574 OH TYR A 36 11.453 -1.541 -12.501 1.00 0.00 O ATOM 575 H TYR A 36 7.425 5.561 -12.569 1.00 0.00 H ATOM 576 HA TYR A 36 6.886 2.888 -13.323 1.00 0.00 H ATOM 577 1HB TYR A 36 9.019 3.877 -13.818 1.00 0.00 H ATOM 578 2HB TYR A 36 9.359 4.156 -12.115 1.00 0.00 H ATOM 579 HD1 TYR A 36 8.907 1.513 -14.684 1.00 0.00 H ATOM 580 HD2 TYR A 36 10.347 2.493 -10.763 1.00 0.00 H ATOM 581 HE1 TYR A 36 10.036 -0.682 -14.549 1.00 0.00 H ATOM 582 HE2 TYR A 36 11.476 0.298 -10.629 1.00 0.00 H ATOM 583 HH TYR A 36 11.296 -2.030 -13.313 1.00 0.00 H ATOM 584 N TRP A 37 7.528 3.254 -10.093 1.00 0.00 N ATOM 585 CA TRP A 37 7.448 2.588 -8.798 1.00 0.00 C ATOM 586 C TRP A 37 6.012 2.542 -8.291 1.00 0.00 C ATOM 587 O TRP A 37 5.666 1.708 -7.454 1.00 0.00 O ATOM 588 CB TRP A 37 8.331 3.304 -7.774 1.00 0.00 C ATOM 589 CG TRP A 37 9.796 3.064 -7.975 1.00 0.00 C ATOM 590 CD1 TRP A 37 10.728 3.982 -8.357 1.00 0.00 C ATOM 591 CD2 TRP A 37 10.509 1.815 -7.805 1.00 0.00 C ATOM 592 NE1 TRP A 37 11.966 3.394 -8.436 1.00 0.00 N ATOM 593 CE2 TRP A 37 11.851 2.068 -8.101 1.00 0.00 C ATOM 594 CE3 TRP A 37 10.122 0.522 -7.430 1.00 0.00 C ATOM 595 CZ2 TRP A 37 12.817 1.076 -8.037 1.00 0.00 C ATOM 596 CZ3 TRP A 37 11.090 -0.473 -7.365 1.00 0.00 C ATOM 597 CH2 TRP A 37 12.403 -0.202 -7.660 1.00 0.00 C ATOM 598 H TRP A 37 7.899 4.192 -10.141 1.00 0.00 H ATOM 599 HA TRP A 37 7.812 1.567 -8.910 1.00 0.00 H ATOM 600 1HB TRP A 37 8.150 4.378 -7.825 1.00 0.00 H ATOM 601 2HB TRP A 37 8.064 2.975 -6.770 1.00 0.00 H ATOM 602 HD1 TRP A 37 10.521 5.029 -8.567 1.00 0.00 H ATOM 603 HE1 TRP A 37 12.823 3.859 -8.700 1.00 0.00 H ATOM 604 HE3 TRP A 37 9.082 0.303 -7.192 1.00 0.00 H ATOM 605 HZ2 TRP A 37 13.864 1.271 -8.268 1.00 0.00 H ATOM 606 HZ3 TRP A 37 10.781 -1.476 -7.073 1.00 0.00 H ATOM 607 HH2 TRP A 37 13.137 -1.006 -7.598 1.00 0.00 H ATOM 608 N LEU A 38 5.180 3.442 -8.803 1.00 0.00 N ATOM 609 CA LEU A 38 3.751 3.417 -8.512 1.00 0.00 C ATOM 610 C LEU A 38 3.109 2.131 -9.015 1.00 0.00 C ATOM 611 O LEU A 38 2.426 1.432 -8.266 1.00 0.00 O ATOM 612 CB LEU A 38 3.059 4.626 -9.154 1.00 0.00 C ATOM 613 CG LEU A 38 1.536 4.691 -8.978 1.00 0.00 C ATOM 614 CD1 LEU A 38 1.196 4.715 -7.494 1.00 0.00 C ATOM 615 CD2 LEU A 38 0.996 5.927 -9.682 1.00 0.00 C ATOM 616 H LEU A 38 5.546 4.163 -9.408 1.00 0.00 H ATOM 617 HA LEU A 38 3.616 3.476 -7.432 1.00 0.00 H ATOM 618 1HB LEU A 38 3.480 5.535 -8.728 1.00 0.00 H ATOM 619 2HB LEU A 38 3.269 4.620 -10.223 1.00 0.00 H ATOM 620 HG LEU A 38 1.081 3.800 -9.410 1.00 0.00 H ATOM 621 1HD1 LEU A 38 0.114 4.761 -7.369 1.00 0.00 H ATOM 622 2HD1 LEU A 38 1.577 3.811 -7.019 1.00 0.00 H ATOM 623 3HD1 LEU A 38 1.652 5.589 -7.030 1.00 0.00 H ATOM 624 1HD2 LEU A 38 -0.086 5.973 -9.558 1.00 0.00 H ATOM 625 2HD2 LEU A 38 1.449 6.820 -9.250 1.00 0.00 H ATOM 626 3HD2 LEU A 38 1.237 5.876 -10.744 1.00 0.00 H ATOM 627 N GLN A 39 3.332 1.822 -10.288 1.00 0.00 N ATOM 628 CA GLN A 39 2.811 0.597 -10.882 1.00 0.00 C ATOM 629 C GLN A 39 3.421 -0.635 -10.228 1.00 0.00 C ATOM 630 O GLN A 39 2.746 -1.647 -10.036 1.00 0.00 O ATOM 631 CB GLN A 39 3.080 0.576 -12.389 1.00 0.00 C ATOM 632 CG GLN A 39 2.409 -0.571 -13.125 1.00 0.00 C ATOM 633 CD GLN A 39 0.896 -0.473 -13.093 1.00 0.00 C ATOM 634 OE1 GLN A 39 0.322 0.580 -13.386 1.00 0.00 O ATOM 635 NE2 GLN A 39 0.239 -1.571 -12.737 1.00 0.00 N ATOM 636 H GLN A 39 3.877 2.453 -10.859 1.00 0.00 H ATOM 637 HA GLN A 39 1.731 0.573 -10.734 1.00 0.00 H ATOM 638 1HB GLN A 39 2.734 1.509 -12.834 1.00 0.00 H ATOM 639 2HB GLN A 39 4.153 0.507 -12.566 1.00 0.00 H ATOM 640 1HG GLN A 39 2.730 -0.559 -14.167 1.00 0.00 H ATOM 641 2HG GLN A 39 2.700 -1.511 -12.656 1.00 0.00 H ATOM 642 1HE2 GLN A 39 -0.761 -1.566 -12.697 1.00 0.00 H ATOM 643 2HE2 GLN A 39 0.744 -2.403 -12.507 1.00 0.00 H ATOM 644 N TYR A 40 4.702 -0.545 -9.886 1.00 0.00 N ATOM 645 CA TYR A 40 5.382 -1.618 -9.170 1.00 0.00 C ATOM 646 C TYR A 40 4.621 -2.006 -7.909 1.00 0.00 C ATOM 647 O TYR A 40 4.306 -3.178 -7.698 1.00 0.00 O ATOM 648 CB TYR A 40 6.813 -1.205 -8.821 1.00 0.00 C ATOM 649 CG TYR A 40 7.497 -2.139 -7.846 1.00 0.00 C ATOM 650 CD1 TYR A 40 8.086 -3.308 -8.304 1.00 0.00 C ATOM 651 CD2 TYR A 40 7.535 -1.825 -6.496 1.00 0.00 C ATOM 652 CE1 TYR A 40 8.711 -4.161 -7.414 1.00 0.00 C ATOM 653 CE2 TYR A 40 8.160 -2.678 -5.606 1.00 0.00 C ATOM 654 CZ TYR A 40 8.746 -3.841 -6.062 1.00 0.00 C ATOM 655 OH TYR A 40 9.368 -4.691 -5.175 1.00 0.00 O ATOM 656 H TYR A 40 5.218 0.288 -10.129 1.00 0.00 H ATOM 657 HA TYR A 40 5.440 -2.488 -9.825 1.00 0.00 H ATOM 658 1HB TYR A 40 7.413 -1.164 -9.731 1.00 0.00 H ATOM 659 2HB TYR A 40 6.808 -0.206 -8.387 1.00 0.00 H ATOM 660 HD1 TYR A 40 8.056 -3.555 -9.366 1.00 0.00 H ATOM 661 HD2 TYR A 40 7.072 -0.907 -6.136 1.00 0.00 H ATOM 662 HE1 TYR A 40 9.173 -5.080 -7.774 1.00 0.00 H ATOM 663 HE2 TYR A 40 8.189 -2.432 -4.545 1.00 0.00 H ATOM 664 HH TYR A 40 9.718 -5.447 -5.651 1.00 0.00 H ATOM 665 N ALA A 41 4.329 -1.017 -7.072 1.00 0.00 N ATOM 666 CA ALA A 41 3.619 -1.256 -5.821 1.00 0.00 C ATOM 667 C ALA A 41 2.216 -1.791 -6.078 1.00 0.00 C ATOM 668 O ALA A 41 1.722 -2.643 -5.339 1.00 0.00 O ATOM 669 CB ALA A 41 3.555 0.021 -4.996 1.00 0.00 C ATOM 670 H ALA A 41 4.605 -0.074 -7.309 1.00 0.00 H ATOM 671 HA ALA A 41 4.175 -1.995 -5.243 1.00 0.00 H ATOM 672 1HB ALA A 41 3.022 -0.173 -4.065 1.00 0.00 H ATOM 673 2HB ALA A 41 4.566 0.360 -4.771 1.00 0.00 H ATOM 674 3HB ALA A 41 3.031 0.792 -5.559 1.00 0.00 H ATOM 675 N ARG A 42 1.578 -1.286 -7.128 1.00 0.00 N ATOM 676 CA ARG A 42 0.214 -1.680 -7.458 1.00 0.00 C ATOM 677 C ARG A 42 0.162 -3.114 -7.969 1.00 0.00 C ATOM 678 O ARG A 42 -0.848 -3.801 -7.818 1.00 0.00 O ATOM 679 CB ARG A 42 -0.373 -0.749 -8.509 1.00 0.00 C ATOM 680 CG ARG A 42 -0.726 0.642 -8.006 1.00 0.00 C ATOM 681 CD ARG A 42 -1.233 1.509 -9.100 1.00 0.00 C ATOM 682 NE ARG A 42 -1.642 2.816 -8.611 1.00 0.00 N ATOM 683 CZ ARG A 42 -2.081 3.822 -9.392 1.00 0.00 C ATOM 684 NH1 ARG A 42 -2.164 3.656 -10.694 1.00 0.00 N ATOM 685 NH2 ARG A 42 -2.430 4.976 -8.850 1.00 0.00 N ATOM 686 H ARG A 42 2.051 -0.613 -7.714 1.00 0.00 H ATOM 687 HA ARG A 42 -0.395 -1.608 -6.556 1.00 0.00 H ATOM 688 1HB ARG A 42 0.335 -0.633 -9.328 1.00 0.00 H ATOM 689 2HB ARG A 42 -1.280 -1.191 -8.921 1.00 0.00 H ATOM 690 1HG ARG A 42 -1.499 0.567 -7.242 1.00 0.00 H ATOM 691 2HG ARG A 42 0.162 1.111 -7.580 1.00 0.00 H ATOM 692 1HD ARG A 42 -0.449 1.653 -9.844 1.00 0.00 H ATOM 693 2HD ARG A 42 -2.095 1.036 -9.569 1.00 0.00 H ATOM 694 HE ARG A 42 -1.592 2.981 -7.615 1.00 0.00 H ATOM 695 1HH1 ARG A 42 -1.897 2.774 -11.108 1.00 0.00 H ATOM 696 2HH1 ARG A 42 -2.493 4.410 -11.279 1.00 0.00 H ATOM 697 1HH2 ARG A 42 -2.367 5.103 -7.849 1.00 0.00 H ATOM 698 2HH2 ARG A 42 -2.759 5.729 -9.435 1.00 0.00 H ATOM 699 N ASN A 43 1.258 -3.561 -8.574 1.00 0.00 N ATOM 700 CA ASN A 43 1.356 -4.930 -9.067 1.00 0.00 C ATOM 701 C ASN A 43 1.438 -5.925 -7.916 1.00 0.00 C ATOM 702 O ASN A 43 1.951 -5.607 -6.843 1.00 0.00 O ATOM 703 OXT ASN A 43 0.998 -7.033 -8.049 1.00 0.00 O ATOM 704 CB ASN A 43 2.553 -5.080 -9.988 1.00 0.00 C ATOM 705 CG ASN A 43 2.382 -4.335 -11.283 1.00 0.00 C ATOM 706 OD1 ASN A 43 1.256 -4.093 -11.731 1.00 0.00 O ATOM 707 ND2 ASN A 43 3.480 -3.965 -11.892 1.00 0.00 N ATOM 708 H ASN A 43 2.042 -2.936 -8.696 1.00 0.00 H ATOM 709 HA ASN A 43 0.467 -5.150 -9.657 1.00 0.00 H ATOM 710 1HB ASN A 43 3.448 -4.713 -9.486 1.00 0.00 H ATOM 711 2HB ASN A 43 2.711 -6.136 -10.209 1.00 0.00 H ATOM 712 1HD2 ASN A 43 3.427 -3.465 -12.757 1.00 0.00 H ATOM 713 2HD2 ASN A 43 4.370 -4.181 -11.493 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE nods_new_heeh_18.bp_pass_20151103215335_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_intra_sol_xover4 lk_ball_wtd fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 rama omega fa_dun p_aa_pp yhh_planarity ref total weights 1 0.55 1 0.005 1 1 1 1.25 1.17 1.17 1.17 1.1 1.25 0.25 0.625 0.7 0.4 0.625 1 NA pose -194.848 19.5732 73.5551 0.50873 5.37924 -1.94661 -16.1546 0.04337 -19.9328 -6.00334 -4.45856 -5.08849 0 -6.046 5.74098 44.038 -9.51692 3e-05 18.7613 -96.3957 VAL:NtermProteinFull_1 -4.44541 0.63732 0.23807 0.01772 0.02022 -0.03823 -0.13104 0 0 0 0 0 0 0 0.34786 0.02784 0 0 2.2876 -1.03806 ARG_2 -5.40319 0.31863 3.34091 0.0165 0.38146 -0.16071 -0.44591 0 0 0 -0.69616 0 0 -0.30676 0.09421 1.74367 -0.10927 0 -0.4 -1.62664 ILE_3 -6.82954 1.30757 -0.56104 0.02726 0.03488 -0.00168 -0.02256 0 0 0 0 0 0 0.01651 0.08264 0.16467 -0.08216 0 2.27849 -3.58496 ALA_4 -4.61614 0.43731 1.62631 0.00081 0 -0.04063 -0.0347 0 0 0 0 0 0 -0.20169 0.04278 0 -0.21702 0 1.56209 -1.44087 GLU_5 -4.33083 0.12084 3.44762 0.00687 0.21319 -0.18051 -0.40031 0 0 0 0 0 0 -0.24392 0.03472 2.70462 -0.13528 0 -2.28137 -1.04437 TRP_6 -6.85494 0.68043 1.65132 0.02313 0.18289 -0.05495 -0.51096 0 0 0 0 0 0 -0.25699 0.29223 1.87777 -0.10424 0 1.56226 -1.51205 ALA_7 -5.85909 0.66997 1.14056 0.0008 0 0 -0.35399 0 0 0 0 0 0 -0.13688 0.13337 0 -0.1817 0 1.56209 -3.02486 GLU_8 -5.27567 0.31752 3.66434 0.00687 0.21459 0.05987 -1.26956 0 0 0 0 -0.5069 0 -0.27301 0.23196 2.67463 -0.14222 0 -2.28137 -2.57894 TRP_9 -8.02929 0.69497 2.68646 0.02538 0.29908 -0.0849 -0.46345 0 0 0 0 0 0 -0.09888 0.01534 1.52602 -0.06233 0 1.56226 -1.92935 ALA_10 -5.39251 0.49479 2.00198 0.00083 0 -0.00934 -0.6252 0 0 0 0 0 0 -0.23913 0.00544 0 -0.24473 0 1.56209 -2.44579 ILE_11 -5.85722 0.64948 1.75474 0.02669 0.03409 0.06372 -0.25768 0 0 0 -0.72061 0 0 0.00293 0.12143 0.15411 -0.20703 0 2.27849 -1.95687 LYS_12 -2.82621 0.09986 1.9417 0.00636 0.07349 -0.03602 -0.21252 0 0 0 0 0 0 -0.27604 0.05121 0.98258 -0.05514 0 -0.47142 -0.72216 LYS_13 -4.25925 0.23634 2.06157 0.0138 0.20669 -0.09395 0.04823 0 0 0 0 0 0 -0.15668 0.18782 1.41233 -0.16889 0 -0.47142 -0.98342 GLY_14 -1.85667 0.18593 1.54937 5e-05 0 -0.04062 0.08683 0 0 0 0 0 0 -0.33627 0.41994 0 -0.95488 0 0.8121 -0.13423 LYS_15 -3.86639 0.44824 1.64681 0.00655 0.07559 -0.04471 0.06228 0.00135 0 0 0 0 0 -0.12925 0.03073 0.99215 0.00725 0 -0.47142 -1.24083 PRO_16 -2.23297 0.40747 0.75163 0.00299 0.06551 0.00833 -0.16571 0.04202 0 0 0 0 0 -0.28281 0.01087 0.21266 -0.68994 0 -0.97642 -2.84637 VAL_17 -5.1371 0.44691 -0.03877 0.025 0.03337 -0.01106 -0.52942 0 0 0 0 0 0 0.18005 0.39856 0.2695 -0.03698 0 2.2876 -2.11233 THR_18 -2.07893 0.192 0.53213 0.0101 0.03683 -0.11493 -0.37668 0 0 0 0 0 0 -0.0575 0.48252 0.05747 -0.06415 0 0.72083 -0.66032 ILE_19 -7.00405 1.34209 0.19233 0.02251 0.03544 -0.08022 -0.8692 0 0 0 0 0 0 -0.23592 0.22175 0.88499 -0.45805 0 2.27849 -3.66986 HIS_D_20 -2.72408 0.16699 1.65457 0.0042 0.34175 0.06518 -1.26782 0 0 0 -0.69616 -0.49949 0 0.01668 0.02415 1.94316 -0.20668 0 -0.42905 -1.60661 TYR_21 -5.78097 0.42193 2.0232 0.02993 0.14557 -0.15136 -0.32406 0 0 0 0 0 0 0.10143 0.00057 2.27218 -0.10916 2e-05 0.21729 -1.15343 GLY_22 -1.17014 0.09141 1.04201 1e-05 0 -0.06399 0.14769 0 0 0 0 0 0 0.01396 0.04453 0 -0.94731 0 0.8121 -0.02973 ASN_23 -1.03257 0.06833 0.66978 0.00561 0.22315 -0.05209 -0.02791 0 0 0 0 0 0 -0.34107 0.03605 1.7749 -0.46541 0 -1.09912 -0.24034 VAL_24 -3.4346 0.19691 1.25337 0.01604 0.02151 -0.01623 -0.10045 0 0 0 0 0 0 -0.25799 0.37909 0.01648 -0.48415 0 2.2876 -0.12241 THR_25 -2.491 0.29104 1.08435 0.01056 0.03604 -0.03068 -0.47422 0 0 0 0 -0.49949 0 -0.02994 0.20364 0.14957 -0.11424 0 0.72083 -1.14355 VAL_26 -5.76454 1.01918 -0.41141 0.01748 0.02098 -0.04649 -0.92895 0 0 0 0 0 0 -0.27435 0.32054 0.24086 -0.50091 0 2.2876 -4.02002 GLN_27 -2.22259 0.06472 1.65599 0.00944 0.21759 0.09626 -1.05803 0 0 0 0 -0.84451 0 0.06727 0.13605 2.8106 0.09301 0 -1.60738 -0.58158 ILE_28 -6.90033 0.94724 -0.28793 0.0282 0.03867 -0.07264 -0.74413 0 0 0 0 0 0 -0.32028 0.00151 0.46675 -0.43733 0 2.27849 -5.00179 ASP_29 -2.64572 0.13218 1.84514 0.00234 0.22899 0.04946 -0.52653 0 0 0 0 -0.84451 0 0.0416 0.16428 1.87124 -0.17437 0 -2.00354 -1.85945 THR_30 -3.4036 0.23814 2.52266 0.00684 0.05894 0.0054 -0.29869 0 0 0 -0.8125 0 0 -0.19954 0.1096 0.07535 -0.56323 0 0.72083 -1.53982 GLN_31 -4.01428 0.284 2.4111 0.00502 0.16112 -0.03383 -0.64683 0 0 0 -0.72061 0 0 -0.21921 0.0666 2.66432 -0.17742 0 -1.60738 -1.82742 ASP_32 -2.84142 0.12626 2.55809 0.00359 0.23875 0.03278 -0.31004 0 0 0 0 0 0 -0.15457 0.2123 1.61151 0.05968 0 -2.00354 -0.46661 ALA_33 -4.54728 0.30302 2.15392 0.00082 0 0.01921 -0.23823 0 0 0 -0.8125 0 0 -0.21412 0.00951 0 -0.23498 0 1.56209 -1.99853 ALA_34 -6.02013 1.07772 1.27472 0.00081 0 -0.00728 -0.46264 0 0 0 0 0 0 -0.15542 0.01039 0 -0.20026 0 1.56209 -2.92 LYS_35 -4.599 0.26018 2.62446 0.00633 0.07295 -0.00148 -0.39979 0 0 0 0 0 0 -0.27745 0.19804 0.97972 -0.05631 0 -0.47142 -1.66377 TYR_36 -4.60217 0.27678 2.42936 0.02759 0.17512 -0.03771 -0.42629 0 0 0 0 0 0 0.11845 0.14471 1.60856 -0.2132 1e-05 0.21729 -0.2815 TRP_37 -8.68336 1.04066 1.39649 0.02283 0.19933 -0.12594 -0.45285 0 0 0 0 0 0 -0.30841 0.27451 1.61636 -0.02432 0 1.56226 -3.48243 LEU_38 -7.38184 0.90612 2.47539 0.01601 0.06101 -0.27421 -0.43556 0 0 0 0 0 0 0.03032 0.02493 0.39102 -0.13728 0 1.68043 -2.64365 GLN_39 -4.75223 0.26411 3.79332 0.00926 0.60928 -0.0413 -0.6121 0 0 0 0 -0.69334 0 -0.21152 0.11409 2.49628 -0.17686 0 -1.60738 -0.80839 TYR_40 -5.51263 0.5269 2.19417 0.02868 0.18011 -0.04853 0.0934 0 0 0 0 0 0 0.14531 0.00401 1.86085 -0.18039 0 0.21729 -0.49084 ALA_41 -4.15485 0.65138 0.88068 0.00084 0 -0.00076 0.22055 0 0 0 0 0 0 -0.27216 0.02658 0 -0.23296 0 1.56209 -1.31861 ARG_42 -4.5886 0.26768 3.25443 0.01149 0.1446 -0.28742 -0.53033 0 0 0 0 -0.5069 0 -0.31272 0.02993 1.42523 -0.12604 0 -0.4 -1.61865 ASN:CtermProteinFull_43 -3.42506 0.26268 3.42923 0.0046 0.29647 -0.06245 0.12076 0 0 0 0 -0.69334 0 0 0 2.07806 0 0 -1.09912 0.91183 #END_POSE_ENERGIES_TABLE nods_new_heeh_18.bp_pass_20151103215335_0001.pdb AlaCount 6 bb -0.13958 buried_minus_exposed 3810.02 buried_np 5447.51 buried_over_exposed 3.32673 cavity_volume 0 contact_all 344 contact_core_SASA 344 contact_core_SCN 344 degree 10.0698 exposed_hydrophobics 1637.49 exposed_polars 1549.69 exposed_total 3187.18 fxn_exposed_is_np 0.513774 holes -0.178663 mismatch_probability 0.19772 pack 0.696853 percent_core_SASA 0.139502 percent_core_SCN 0.162753 res_count_core_SASA 6 res_count_core_SCN 7 sidechain_neighbors -96.4508 ss_sc 0.768675 unsat_hbond 4
HEEH_rd3_0223.pdb
ATOM 1 N THR A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA THR A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C THR A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O THR A 1 1.950 2.119 -1.012 1.00 0.00 O ATOM 5 CB THR A 1 2.012 -0.770 -1.213 1.00 0.00 C ATOM 6 OG1 THR A 1 1.542 -2.124 -1.179 1.00 0.00 O ATOM 7 CG2 THR A 1 3.533 -0.765 -1.198 1.00 0.00 C ATOM 8 1H THR A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 9 2H THR A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 10 3H THR A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 11 HA THR A 1 1.804 -0.509 0.900 1.00 0.00 H ATOM 12 HB THR A 1 1.662 -0.301 -2.132 1.00 0.00 H ATOM 13 HG1 THR A 1 1.039 -2.307 -1.976 1.00 0.00 H ATOM 14 1HG2 THR A 1 3.907 -1.313 -2.063 1.00 0.00 H ATOM 15 2HG2 THR A 1 3.894 0.263 -1.236 1.00 0.00 H ATOM 16 3HG2 THR A 1 3.889 -1.241 -0.286 1.00 0.00 H ATOM 17 N ILE A 2 2.544 1.842 1.141 1.00 0.00 N ATOM 18 CA ILE A 2 3.053 3.199 1.292 1.00 0.00 C ATOM 19 C ILE A 2 4.290 3.424 0.431 1.00 0.00 C ATOM 20 O ILE A 2 4.570 4.546 0.010 1.00 0.00 O ATOM 21 CB ILE A 2 3.391 3.498 2.764 1.00 0.00 C ATOM 22 CG1 ILE A 2 3.574 5.003 2.976 1.00 0.00 C ATOM 23 CG2 ILE A 2 4.642 2.743 3.187 1.00 0.00 C ATOM 24 CD1 ILE A 2 2.323 5.812 2.717 1.00 0.00 C ATOM 25 H ILE A 2 2.600 1.205 1.923 1.00 0.00 H ATOM 26 HA ILE A 2 2.277 3.898 0.978 1.00 0.00 H ATOM 27 HB ILE A 2 2.561 3.189 3.398 1.00 0.00 H ATOM 28 1HG1 ILE A 2 3.896 5.191 3.999 1.00 0.00 H ATOM 29 2HG1 ILE A 2 4.359 5.371 2.314 1.00 0.00 H ATOM 30 1HG2 ILE A 2 4.867 2.966 4.229 1.00 0.00 H ATOM 31 2HG2 ILE A 2 4.476 1.672 3.072 1.00 0.00 H ATOM 32 3HG2 ILE A 2 5.481 3.049 2.561 1.00 0.00 H ATOM 33 1HD1 ILE A 2 2.532 6.869 2.887 1.00 0.00 H ATOM 34 2HD1 ILE A 2 2.002 5.667 1.685 1.00 0.00 H ATOM 35 3HD1 ILE A 2 1.533 5.486 3.392 1.00 0.00 H ATOM 36 N ASP A 3 5.027 2.349 0.172 1.00 0.00 N ATOM 37 CA ASP A 3 6.233 2.425 -0.644 1.00 0.00 C ATOM 38 C ASP A 3 5.922 2.960 -2.036 1.00 0.00 C ATOM 39 O ASP A 3 6.672 3.769 -2.582 1.00 0.00 O ATOM 40 CB ASP A 3 6.894 1.049 -0.755 1.00 0.00 C ATOM 41 CG ASP A 3 7.540 0.596 0.548 1.00 0.00 C ATOM 42 OD1 ASP A 3 7.747 1.423 1.404 1.00 0.00 O ATOM 43 OD2 ASP A 3 7.821 -0.572 0.673 1.00 0.00 O ATOM 44 H ASP A 3 4.745 1.456 0.550 1.00 0.00 H ATOM 45 HA ASP A 3 6.937 3.102 -0.159 1.00 0.00 H ATOM 46 1HB ASP A 3 6.149 0.310 -1.050 1.00 0.00 H ATOM 47 2HB ASP A 3 7.657 1.074 -1.533 1.00 0.00 H ATOM 48 N GLU A 4 4.813 2.502 -2.607 1.00 0.00 N ATOM 49 CA GLU A 4 4.382 2.960 -3.922 1.00 0.00 C ATOM 50 C GLU A 4 3.940 4.417 -3.880 1.00 0.00 C ATOM 51 O GLU A 4 4.202 5.183 -4.807 1.00 0.00 O ATOM 52 CB GLU A 4 3.241 2.085 -4.444 1.00 0.00 C ATOM 53 CG GLU A 4 3.653 0.667 -4.811 1.00 0.00 C ATOM 54 CD GLU A 4 2.492 -0.188 -5.236 1.00 0.00 C ATOM 55 OE1 GLU A 4 1.375 0.256 -5.114 1.00 0.00 O ATOM 56 OE2 GLU A 4 2.722 -1.287 -5.684 1.00 0.00 O ATOM 57 H GLU A 4 4.254 1.818 -2.117 1.00 0.00 H ATOM 58 HA GLU A 4 5.222 2.870 -4.612 1.00 0.00 H ATOM 59 1HB GLU A 4 2.456 2.022 -3.690 1.00 0.00 H ATOM 60 2HB GLU A 4 2.805 2.547 -5.331 1.00 0.00 H ATOM 61 1HG GLU A 4 4.376 0.708 -5.625 1.00 0.00 H ATOM 62 2HG GLU A 4 4.140 0.208 -3.951 1.00 0.00 H ATOM 63 N ILE A 5 3.267 4.795 -2.798 1.00 0.00 N ATOM 64 CA ILE A 5 2.854 6.178 -2.596 1.00 0.00 C ATOM 65 C ILE A 5 4.060 7.105 -2.507 1.00 0.00 C ATOM 66 O ILE A 5 4.092 8.161 -3.140 1.00 0.00 O ATOM 67 CB ILE A 5 2.003 6.318 -1.321 1.00 0.00 C ATOM 68 CG1 ILE A 5 0.645 5.637 -1.508 1.00 0.00 C ATOM 69 CG2 ILE A 5 1.823 7.784 -0.959 1.00 0.00 C ATOM 70 CD1 ILE A 5 -0.151 5.501 -0.231 1.00 0.00 C ATOM 71 H ILE A 5 3.035 4.105 -2.097 1.00 0.00 H ATOM 72 HA ILE A 5 2.240 6.484 -3.445 1.00 0.00 H ATOM 73 HB ILE A 5 2.499 5.808 -0.495 1.00 0.00 H ATOM 74 1HG1 ILE A 5 0.049 6.205 -2.222 1.00 0.00 H ATOM 75 2HG1 ILE A 5 0.791 4.641 -1.926 1.00 0.00 H ATOM 76 1HG2 ILE A 5 1.218 7.864 -0.056 1.00 0.00 H ATOM 77 2HG2 ILE A 5 2.797 8.238 -0.785 1.00 0.00 H ATOM 78 3HG2 ILE A 5 1.322 8.301 -1.778 1.00 0.00 H ATOM 79 1HD1 ILE A 5 -1.101 5.009 -0.444 1.00 0.00 H ATOM 80 2HD1 ILE A 5 0.412 4.904 0.488 1.00 0.00 H ATOM 81 3HD1 ILE A 5 -0.341 6.488 0.187 1.00 0.00 H ATOM 82 N ILE A 6 5.050 6.704 -1.718 1.00 0.00 N ATOM 83 CA ILE A 6 6.259 7.501 -1.540 1.00 0.00 C ATOM 84 C ILE A 6 7.006 7.670 -2.856 1.00 0.00 C ATOM 85 O ILE A 6 7.400 8.778 -3.220 1.00 0.00 O ATOM 86 CB ILE A 6 7.192 6.859 -0.497 1.00 0.00 C ATOM 87 CG1 ILE A 6 6.574 6.949 0.900 1.00 0.00 C ATOM 88 CG2 ILE A 6 8.558 7.526 -0.523 1.00 0.00 C ATOM 89 CD1 ILE A 6 7.250 6.068 1.925 1.00 0.00 C ATOM 90 H ILE A 6 4.964 5.825 -1.228 1.00 0.00 H ATOM 91 HA ILE A 6 5.972 8.487 -1.172 1.00 0.00 H ATOM 92 HB ILE A 6 7.312 5.799 -0.721 1.00 0.00 H ATOM 93 1HG1 ILE A 6 6.620 7.979 1.252 1.00 0.00 H ATOM 94 2HG1 ILE A 6 5.521 6.668 0.852 1.00 0.00 H ATOM 95 1HG2 ILE A 6 9.205 7.061 0.220 1.00 0.00 H ATOM 96 2HG2 ILE A 6 9.000 7.412 -1.512 1.00 0.00 H ATOM 97 3HG2 ILE A 6 8.449 8.587 -0.295 1.00 0.00 H ATOM 98 1HD1 ILE A 6 6.756 6.186 2.890 1.00 0.00 H ATOM 99 2HD1 ILE A 6 7.185 5.026 1.610 1.00 0.00 H ATOM 100 3HD1 ILE A 6 8.297 6.354 2.017 1.00 0.00 H ATOM 101 N LYS A 7 7.198 6.564 -3.567 1.00 0.00 N ATOM 102 CA LYS A 7 7.915 6.584 -4.837 1.00 0.00 C ATOM 103 C LYS A 7 7.218 7.485 -5.849 1.00 0.00 C ATOM 104 O LYS A 7 7.870 8.191 -6.617 1.00 0.00 O ATOM 105 CB LYS A 7 8.050 5.168 -5.399 1.00 0.00 C ATOM 106 CG LYS A 7 9.041 4.286 -4.651 1.00 0.00 C ATOM 107 CD LYS A 7 9.065 2.876 -5.220 1.00 0.00 C ATOM 108 CE LYS A 7 10.029 1.984 -4.452 1.00 0.00 C ATOM 109 NZ LYS A 7 10.044 0.594 -4.982 1.00 0.00 N ATOM 110 H LYS A 7 6.838 5.686 -3.219 1.00 0.00 H ATOM 111 HA LYS A 7 8.920 6.969 -4.661 1.00 0.00 H ATOM 112 1HB LYS A 7 7.078 4.673 -5.375 1.00 0.00 H ATOM 113 2HB LYS A 7 8.366 5.218 -6.441 1.00 0.00 H ATOM 114 1HG LYS A 7 10.040 4.717 -4.727 1.00 0.00 H ATOM 115 2HG LYS A 7 8.764 4.239 -3.598 1.00 0.00 H ATOM 116 1HD LYS A 7 8.064 2.445 -5.168 1.00 0.00 H ATOM 117 2HD LYS A 7 9.372 2.910 -6.266 1.00 0.00 H ATOM 118 1HE LYS A 7 11.035 2.395 -4.517 1.00 0.00 H ATOM 119 2HE LYS A 7 9.740 1.955 -3.402 1.00 0.00 H ATOM 120 1HZ LYS A 7 10.694 0.035 -4.447 1.00 0.00 H ATOM 121 2HZ LYS A 7 9.119 0.195 -4.910 1.00 0.00 H ATOM 122 3HZ LYS A 7 10.330 0.605 -5.951 1.00 0.00 H ATOM 123 N ALA A 8 5.890 7.455 -5.843 1.00 0.00 N ATOM 124 CA ALA A 8 5.100 8.324 -6.708 1.00 0.00 C ATOM 125 C ALA A 8 5.380 9.792 -6.417 1.00 0.00 C ATOM 126 O ALA A 8 5.481 10.608 -7.333 1.00 0.00 O ATOM 127 CB ALA A 8 3.617 8.025 -6.547 1.00 0.00 C ATOM 128 H ALA A 8 5.414 6.814 -5.224 1.00 0.00 H ATOM 129 HA ALA A 8 5.368 8.115 -7.745 1.00 0.00 H ATOM 130 1HB ALA A 8 3.041 8.682 -7.200 1.00 0.00 H ATOM 131 2HB ALA A 8 3.423 6.987 -6.815 1.00 0.00 H ATOM 132 3HB ALA A 8 3.323 8.194 -5.512 1.00 0.00 H ATOM 133 N LEU A 9 5.504 10.123 -5.136 1.00 0.00 N ATOM 134 CA LEU A 9 5.825 11.484 -4.724 1.00 0.00 C ATOM 135 C LEU A 9 7.233 11.873 -5.157 1.00 0.00 C ATOM 136 O LEU A 9 7.476 13.008 -5.566 1.00 0.00 O ATOM 137 CB LEU A 9 5.695 11.622 -3.202 1.00 0.00 C ATOM 138 CG LEU A 9 4.279 11.449 -2.637 1.00 0.00 C ATOM 139 CD1 LEU A 9 4.333 11.474 -1.116 1.00 0.00 C ATOM 140 CD2 LEU A 9 3.381 12.555 -3.171 1.00 0.00 C ATOM 141 H LEU A 9 5.372 9.413 -4.430 1.00 0.00 H ATOM 142 HA LEU A 9 5.114 12.165 -5.194 1.00 0.00 H ATOM 143 1HB LEU A 9 6.333 10.876 -2.730 1.00 0.00 H ATOM 144 2HB LEU A 9 6.050 12.610 -2.911 1.00 0.00 H ATOM 145 HG LEU A 9 3.882 10.481 -2.941 1.00 0.00 H ATOM 146 1HD1 LEU A 9 3.326 11.352 -0.714 1.00 0.00 H ATOM 147 2HD1 LEU A 9 4.966 10.661 -0.760 1.00 0.00 H ATOM 148 3HD1 LEU A 9 4.742 12.427 -0.782 1.00 0.00 H ATOM 149 1HD2 LEU A 9 2.374 12.432 -2.770 1.00 0.00 H ATOM 150 2HD2 LEU A 9 3.777 13.525 -2.866 1.00 0.00 H ATOM 151 3HD2 LEU A 9 3.347 12.503 -4.259 1.00 0.00 H ATOM 152 N GLU A 10 8.158 10.924 -5.063 1.00 0.00 N ATOM 153 CA GLU A 10 9.543 11.164 -5.451 1.00 0.00 C ATOM 154 C GLU A 10 9.654 11.470 -6.939 1.00 0.00 C ATOM 155 O GLU A 10 10.483 12.279 -7.356 1.00 0.00 O ATOM 156 CB GLU A 10 10.412 9.953 -5.103 1.00 0.00 C ATOM 157 CG GLU A 10 10.618 9.735 -3.611 1.00 0.00 C ATOM 158 CD GLU A 10 11.344 8.456 -3.301 1.00 0.00 C ATOM 159 OE1 GLU A 10 11.538 7.672 -4.200 1.00 0.00 O ATOM 160 OE2 GLU A 10 11.706 8.261 -2.165 1.00 0.00 O ATOM 161 H GLU A 10 7.895 10.013 -4.715 1.00 0.00 H ATOM 162 HA GLU A 10 9.916 12.021 -4.889 1.00 0.00 H ATOM 163 1HB GLU A 10 9.959 9.050 -5.513 1.00 0.00 H ATOM 164 2HB GLU A 10 11.393 10.065 -5.564 1.00 0.00 H ATOM 165 1HG GLU A 10 11.190 10.570 -3.208 1.00 0.00 H ATOM 166 2HG GLU A 10 9.647 9.724 -3.118 1.00 0.00 H ATOM 167 N GLN A 11 8.814 10.819 -7.736 1.00 0.00 N ATOM 168 CA GLN A 11 8.743 11.097 -9.165 1.00 0.00 C ATOM 169 C GLN A 11 8.199 12.495 -9.428 1.00 0.00 C ATOM 170 O GLN A 11 8.660 13.191 -10.332 1.00 0.00 O ATOM 171 CB GLN A 11 7.871 10.055 -9.871 1.00 0.00 C ATOM 172 CG GLN A 11 7.874 10.165 -11.386 1.00 0.00 C ATOM 173 CD GLN A 11 9.247 9.917 -11.982 1.00 0.00 C ATOM 174 OE1 GLN A 11 9.942 8.971 -11.602 1.00 0.00 O ATOM 175 NE2 GLN A 11 9.645 10.768 -12.921 1.00 0.00 N ATOM 176 H GLN A 11 8.209 10.113 -7.341 1.00 0.00 H ATOM 177 HA GLN A 11 9.749 11.029 -9.581 1.00 0.00 H ATOM 178 1HB GLN A 11 8.212 9.055 -9.605 1.00 0.00 H ATOM 179 2HB GLN A 11 6.840 10.151 -9.529 1.00 0.00 H ATOM 180 1HG GLN A 11 7.185 9.425 -11.795 1.00 0.00 H ATOM 181 2HG GLN A 11 7.554 11.168 -11.669 1.00 0.00 H ATOM 182 1HE2 GLN A 11 10.542 10.656 -13.350 1.00 0.00 H ATOM 183 2HE2 GLN A 11 9.050 11.522 -13.199 1.00 0.00 H ATOM 184 N ALA A 12 7.215 12.901 -8.632 1.00 0.00 N ATOM 185 CA ALA A 12 6.668 14.250 -8.717 1.00 0.00 C ATOM 186 C ALA A 12 7.735 15.296 -8.421 1.00 0.00 C ATOM 187 O ALA A 12 7.738 16.377 -9.010 1.00 0.00 O ATOM 188 CB ALA A 12 5.494 14.406 -7.762 1.00 0.00 C ATOM 189 H ALA A 12 6.837 12.258 -7.951 1.00 0.00 H ATOM 190 HA ALA A 12 6.294 14.408 -9.729 1.00 0.00 H ATOM 191 1HB ALA A 12 5.097 15.418 -7.836 1.00 0.00 H ATOM 192 2HB ALA A 12 4.715 13.690 -8.022 1.00 0.00 H ATOM 193 3HB ALA A 12 5.828 14.223 -6.742 1.00 0.00 H ATOM 194 N VAL A 13 8.639 14.969 -7.504 1.00 0.00 N ATOM 195 CA VAL A 13 9.778 15.831 -7.209 1.00 0.00 C ATOM 196 C VAL A 13 10.724 15.920 -8.400 1.00 0.00 C ATOM 197 O VAL A 13 11.144 17.009 -8.791 1.00 0.00 O ATOM 198 CB VAL A 13 10.547 15.300 -5.985 1.00 0.00 C ATOM 199 CG1 VAL A 13 11.835 16.084 -5.784 1.00 0.00 C ATOM 200 CG2 VAL A 13 9.667 15.381 -4.746 1.00 0.00 C ATOM 201 H VAL A 13 8.535 14.101 -6.998 1.00 0.00 H ATOM 202 HA VAL A 13 9.405 16.831 -6.983 1.00 0.00 H ATOM 203 HB VAL A 13 10.827 14.262 -6.165 1.00 0.00 H ATOM 204 1HG1 VAL A 13 12.366 15.695 -4.915 1.00 0.00 H ATOM 205 2HG1 VAL A 13 12.464 15.982 -6.668 1.00 0.00 H ATOM 206 3HG1 VAL A 13 11.600 17.136 -5.624 1.00 0.00 H ATOM 207 1HG2 VAL A 13 10.217 15.004 -3.884 1.00 0.00 H ATOM 208 2HG2 VAL A 13 9.383 16.419 -4.569 1.00 0.00 H ATOM 209 3HG2 VAL A 13 8.771 14.780 -4.896 1.00 0.00 H ATOM 210 N LYS A 14 11.055 14.768 -8.973 1.00 0.00 N ATOM 211 CA LYS A 14 11.956 14.714 -10.119 1.00 0.00 C ATOM 212 C LYS A 14 11.423 15.547 -11.278 1.00 0.00 C ATOM 213 O LYS A 14 12.188 16.198 -11.989 1.00 0.00 O ATOM 214 CB LYS A 14 12.168 13.266 -10.565 1.00 0.00 C ATOM 215 CG LYS A 14 12.991 12.424 -9.599 1.00 0.00 C ATOM 216 CD LYS A 14 13.093 10.982 -10.072 1.00 0.00 C ATOM 217 CE LYS A 14 13.888 10.132 -9.092 1.00 0.00 C ATOM 218 NZ LYS A 14 13.973 8.712 -9.529 1.00 0.00 N ATOM 219 H LYS A 14 10.674 13.908 -8.606 1.00 0.00 H ATOM 220 HA LYS A 14 12.924 15.113 -9.817 1.00 0.00 H ATOM 221 1HB LYS A 14 11.200 12.779 -10.693 1.00 0.00 H ATOM 222 2HB LYS A 14 12.671 13.254 -11.532 1.00 0.00 H ATOM 223 1HG LYS A 14 13.995 12.842 -9.516 1.00 0.00 H ATOM 224 2HG LYS A 14 12.526 12.442 -8.614 1.00 0.00 H ATOM 225 1HD LYS A 14 12.092 10.561 -10.177 1.00 0.00 H ATOM 226 2HD LYS A 14 13.583 10.952 -11.045 1.00 0.00 H ATOM 227 1HE LYS A 14 14.897 10.531 -9.000 1.00 0.00 H ATOM 228 2HE LYS A 14 13.415 10.169 -8.111 1.00 0.00 H ATOM 229 1HZ LYS A 14 14.506 8.183 -8.853 1.00 0.00 H ATOM 230 2HZ LYS A 14 13.042 8.324 -9.600 1.00 0.00 H ATOM 231 3HZ LYS A 14 14.427 8.662 -10.429 1.00 0.00 H ATOM 232 N ASP A 15 10.108 15.521 -11.463 1.00 0.00 N ATOM 233 CA ASP A 15 9.478 16.216 -12.579 1.00 0.00 C ATOM 234 C ASP A 15 9.017 17.609 -12.171 1.00 0.00 C ATOM 235 O ASP A 15 8.380 18.316 -12.952 1.00 0.00 O ATOM 236 CB ASP A 15 8.287 15.412 -13.107 1.00 0.00 C ATOM 237 CG ASP A 15 8.702 14.113 -13.785 1.00 0.00 C ATOM 238 OD1 ASP A 15 9.672 14.126 -14.505 1.00 0.00 O ATOM 239 OD2 ASP A 15 8.046 13.122 -13.576 1.00 0.00 O ATOM 240 H ASP A 15 9.530 15.008 -10.813 1.00 0.00 H ATOM 241 HA ASP A 15 10.207 16.310 -13.384 1.00 0.00 H ATOM 242 1HB ASP A 15 7.613 15.176 -12.284 1.00 0.00 H ATOM 243 2HB ASP A 15 7.729 16.017 -13.824 1.00 0.00 H ATOM 244 N ASN A 16 9.343 17.999 -10.943 1.00 0.00 N ATOM 245 CA ASN A 16 9.000 19.326 -10.445 1.00 0.00 C ATOM 246 C ASN A 16 7.540 19.659 -10.723 1.00 0.00 C ATOM 247 O ASN A 16 7.231 20.703 -11.297 1.00 0.00 O ATOM 248 CB ASN A 16 9.913 20.376 -11.051 1.00 0.00 C ATOM 249 CG ASN A 16 11.348 20.203 -10.637 1.00 0.00 C ATOM 250 OD1 ASN A 16 11.654 20.094 -9.444 1.00 0.00 O ATOM 251 ND2 ASN A 16 12.234 20.176 -11.599 1.00 0.00 N ATOM 252 H ASN A 16 9.840 17.360 -10.340 1.00 0.00 H ATOM 253 HA ASN A 16 9.148 19.338 -9.365 1.00 0.00 H ATOM 254 1HB ASN A 16 9.853 20.326 -12.139 1.00 0.00 H ATOM 255 2HB ASN A 16 9.577 21.368 -10.749 1.00 0.00 H ATOM 256 1HD2 ASN A 16 13.205 20.063 -11.382 1.00 0.00 H ATOM 257 2HD2 ASN A 16 11.942 20.268 -12.550 1.00 0.00 H ATOM 258 N LYS A 17 6.646 18.766 -10.312 1.00 0.00 N ATOM 259 CA LYS A 17 5.224 18.922 -10.592 1.00 0.00 C ATOM 260 C LYS A 17 4.379 18.511 -9.393 1.00 0.00 C ATOM 261 O LYS A 17 4.796 17.685 -8.582 1.00 0.00 O ATOM 262 CB LYS A 17 4.826 18.104 -11.821 1.00 0.00 C ATOM 263 CG LYS A 17 4.904 16.596 -11.625 1.00 0.00 C ATOM 264 CD LYS A 17 4.500 15.852 -12.889 1.00 0.00 C ATOM 265 CE LYS A 17 4.483 14.347 -12.666 1.00 0.00 C ATOM 266 NZ LYS A 17 4.091 13.607 -13.896 1.00 0.00 N ATOM 267 H LYS A 17 6.960 17.958 -9.794 1.00 0.00 H ATOM 268 HA LYS A 17 5.028 19.972 -10.814 1.00 0.00 H ATOM 269 1HB LYS A 17 3.804 18.352 -12.108 1.00 0.00 H ATOM 270 2HB LYS A 17 5.474 18.366 -12.658 1.00 0.00 H ATOM 271 1HG LYS A 17 5.924 16.315 -11.359 1.00 0.00 H ATOM 272 2HG LYS A 17 4.242 16.300 -10.812 1.00 0.00 H ATOM 273 1HD LYS A 17 3.506 16.177 -13.200 1.00 0.00 H ATOM 274 2HD LYS A 17 5.205 16.083 -13.688 1.00 0.00 H ATOM 275 1HE LYS A 17 5.472 14.015 -12.356 1.00 0.00 H ATOM 276 2HE LYS A 17 3.777 14.105 -11.872 1.00 0.00 H ATOM 277 1HZ LYS A 17 4.092 12.614 -13.706 1.00 0.00 H ATOM 278 2HZ LYS A 17 3.166 13.894 -14.183 1.00 0.00 H ATOM 279 3HZ LYS A 17 4.750 13.808 -14.635 1.00 0.00 H ATOM 280 N PRO A 18 3.189 19.092 -9.287 1.00 0.00 N ATOM 281 CA PRO A 18 2.212 18.663 -8.293 1.00 0.00 C ATOM 282 C PRO A 18 1.639 17.295 -8.639 1.00 0.00 C ATOM 283 O PRO A 18 1.764 16.827 -9.770 1.00 0.00 O ATOM 284 CB PRO A 18 1.143 19.758 -8.365 1.00 0.00 C ATOM 285 CG PRO A 18 1.174 20.206 -9.787 1.00 0.00 C ATOM 286 CD PRO A 18 2.632 20.166 -10.160 1.00 0.00 C ATOM 287 HA PRO A 18 2.709 18.600 -7.324 1.00 0.00 H ATOM 288 1HB PRO A 18 0.166 19.350 -8.068 1.00 0.00 H ATOM 289 2HB PRO A 18 1.382 20.565 -7.658 1.00 0.00 H ATOM 290 1HG PRO A 18 0.559 19.540 -10.409 1.00 0.00 H ATOM 291 2HG PRO A 18 0.742 21.214 -9.877 1.00 0.00 H ATOM 292 1HD PRO A 18 2.731 19.907 -11.225 1.00 0.00 H ATOM 293 2HD PRO A 18 3.092 21.143 -9.953 1.00 0.00 H ATOM 294 N ILE A 19 1.011 16.657 -7.657 1.00 0.00 N ATOM 295 CA ILE A 19 0.531 15.290 -7.816 1.00 0.00 C ATOM 296 C ILE A 19 -0.494 14.938 -6.745 1.00 0.00 C ATOM 297 O ILE A 19 -0.476 15.496 -5.648 1.00 0.00 O ATOM 298 CB ILE A 19 1.698 14.287 -7.760 1.00 0.00 C ATOM 299 CG1 ILE A 19 1.253 12.920 -8.286 1.00 0.00 C ATOM 300 CG2 ILE A 19 2.228 14.167 -6.339 1.00 0.00 C ATOM 301 CD1 ILE A 19 2.396 11.965 -8.548 1.00 0.00 C ATOM 302 H ILE A 19 0.863 17.131 -6.778 1.00 0.00 H ATOM 303 HA ILE A 19 0.058 15.201 -8.795 1.00 0.00 H ATOM 304 HB ILE A 19 2.502 14.629 -8.410 1.00 0.00 H ATOM 305 1HG1 ILE A 19 0.578 12.456 -7.568 1.00 0.00 H ATOM 306 2HG1 ILE A 19 0.700 13.051 -9.217 1.00 0.00 H ATOM 307 1HG2 ILE A 19 3.052 13.455 -6.318 1.00 0.00 H ATOM 308 2HG2 ILE A 19 2.581 15.140 -6.000 1.00 0.00 H ATOM 309 3HG2 ILE A 19 1.431 13.821 -5.681 1.00 0.00 H ATOM 310 1HD1 ILE A 19 2.002 11.019 -8.919 1.00 0.00 H ATOM 311 2HD1 ILE A 19 3.067 12.396 -9.292 1.00 0.00 H ATOM 312 3HD1 ILE A 19 2.943 11.791 -7.622 1.00 0.00 H ATOM 313 N GLN A 20 -1.386 14.008 -7.070 1.00 0.00 N ATOM 314 CA GLN A 20 -2.283 13.427 -6.078 1.00 0.00 C ATOM 315 C GLN A 20 -2.142 11.912 -6.028 1.00 0.00 C ATOM 316 O GLN A 20 -2.332 11.227 -7.033 1.00 0.00 O ATOM 317 CB GLN A 20 -3.735 13.807 -6.381 1.00 0.00 C ATOM 318 CG GLN A 20 -4.737 13.305 -5.355 1.00 0.00 C ATOM 319 CD GLN A 20 -6.150 13.771 -5.649 1.00 0.00 C ATOM 320 OE1 GLN A 20 -6.734 13.418 -6.677 1.00 0.00 O ATOM 321 NE2 GLN A 20 -6.709 14.570 -4.747 1.00 0.00 N ATOM 322 H GLN A 20 -1.445 13.696 -8.029 1.00 0.00 H ATOM 323 HA GLN A 20 -2.027 13.835 -5.099 1.00 0.00 H ATOM 324 1HB GLN A 20 -3.824 14.892 -6.435 1.00 0.00 H ATOM 325 2HB GLN A 20 -4.021 13.407 -7.353 1.00 0.00 H ATOM 326 1HG GLN A 20 -4.729 12.215 -5.358 1.00 0.00 H ATOM 327 2HG GLN A 20 -4.452 13.678 -4.371 1.00 0.00 H ATOM 328 1HE2 GLN A 20 -7.640 14.910 -4.887 1.00 0.00 H ATOM 329 2HE2 GLN A 20 -6.200 14.832 -3.927 1.00 0.00 H ATOM 330 N VAL A 21 -1.807 11.392 -4.852 1.00 0.00 N ATOM 331 CA VAL A 21 -1.484 9.978 -4.703 1.00 0.00 C ATOM 332 C VAL A 21 -2.245 9.359 -3.538 1.00 0.00 C ATOM 333 O VAL A 21 -2.088 9.774 -2.390 1.00 0.00 O ATOM 334 CB VAL A 21 0.029 9.797 -4.477 1.00 0.00 C ATOM 335 CG1 VAL A 21 0.379 8.320 -4.375 1.00 0.00 C ATOM 336 CG2 VAL A 21 0.804 10.458 -5.607 1.00 0.00 C ATOM 337 H VAL A 21 -1.775 11.992 -4.040 1.00 0.00 H ATOM 338 HA VAL A 21 -1.766 9.460 -5.620 1.00 0.00 H ATOM 339 HB VAL A 21 0.304 10.259 -3.529 1.00 0.00 H ATOM 340 1HG1 VAL A 21 1.452 8.210 -4.215 1.00 0.00 H ATOM 341 2HG1 VAL A 21 -0.159 7.876 -3.538 1.00 0.00 H ATOM 342 3HG1 VAL A 21 0.097 7.814 -5.298 1.00 0.00 H ATOM 343 1HG2 VAL A 21 1.873 10.326 -5.441 1.00 0.00 H ATOM 344 2HG2 VAL A 21 0.525 10.000 -6.556 1.00 0.00 H ATOM 345 3HG2 VAL A 21 0.570 11.522 -5.635 1.00 0.00 H ATOM 346 N GLY A 22 -3.072 8.363 -3.840 1.00 0.00 N ATOM 347 CA GLY A 22 -3.798 7.631 -2.810 1.00 0.00 C ATOM 348 C GLY A 22 -4.720 8.554 -2.025 1.00 0.00 C ATOM 349 O GLY A 22 -5.576 9.228 -2.599 1.00 0.00 O ATOM 350 H GLY A 22 -3.200 8.108 -4.809 1.00 0.00 H ATOM 351 1HA GLY A 22 -4.382 6.835 -3.273 1.00 0.00 H ATOM 352 2HA GLY A 22 -3.089 7.157 -2.133 1.00 0.00 H ATOM 353 N ASN A 23 -4.541 8.581 -0.708 1.00 0.00 N ATOM 354 CA ASN A 23 -5.356 9.424 0.159 1.00 0.00 C ATOM 355 C ASN A 23 -4.643 10.730 0.485 1.00 0.00 C ATOM 356 O ASN A 23 -5.047 11.459 1.391 1.00 0.00 O ATOM 357 CB ASN A 23 -5.723 8.683 1.432 1.00 0.00 C ATOM 358 CG ASN A 23 -6.670 7.542 1.184 1.00 0.00 C ATOM 359 OD1 ASN A 23 -7.574 7.640 0.347 1.00 0.00 O ATOM 360 ND2 ASN A 23 -6.480 6.460 1.895 1.00 0.00 N ATOM 361 H ASN A 23 -3.822 8.003 -0.298 1.00 0.00 H ATOM 362 HA ASN A 23 -6.288 9.654 -0.359 1.00 0.00 H ATOM 363 1HB ASN A 23 -4.818 8.294 1.900 1.00 0.00 H ATOM 364 2HB ASN A 23 -6.184 9.376 2.136 1.00 0.00 H ATOM 365 1HD2 ASN A 23 -7.080 5.669 1.772 1.00 0.00 H ATOM 366 2HD2 ASN A 23 -5.735 6.424 2.561 1.00 0.00 H ATOM 367 N TYR A 24 -3.581 11.020 -0.258 1.00 0.00 N ATOM 368 CA TYR A 24 -2.802 12.234 -0.041 1.00 0.00 C ATOM 369 C TYR A 24 -2.864 13.153 -1.254 1.00 0.00 C ATOM 370 O TYR A 24 -2.819 12.694 -2.395 1.00 0.00 O ATOM 371 CB TYR A 24 -1.349 11.885 0.287 1.00 0.00 C ATOM 372 CG TYR A 24 -1.183 11.108 1.574 1.00 0.00 C ATOM 373 CD1 TYR A 24 -1.132 9.722 1.546 1.00 0.00 C ATOM 374 CD2 TYR A 24 -1.081 11.781 2.782 1.00 0.00 C ATOM 375 CE1 TYR A 24 -0.980 9.012 2.721 1.00 0.00 C ATOM 376 CE2 TYR A 24 -0.929 11.072 3.958 1.00 0.00 C ATOM 377 CZ TYR A 24 -0.879 9.693 3.930 1.00 0.00 C ATOM 378 OH TYR A 24 -0.728 8.986 5.100 1.00 0.00 O ATOM 379 H TYR A 24 -3.306 10.384 -0.993 1.00 0.00 H ATOM 380 HA TYR A 24 -3.217 12.761 0.819 1.00 0.00 H ATOM 381 1HB TYR A 24 -0.924 11.294 -0.525 1.00 0.00 H ATOM 382 2HB TYR A 24 -0.764 12.801 0.365 1.00 0.00 H ATOM 383 HD1 TYR A 24 -1.212 9.193 0.596 1.00 0.00 H ATOM 384 HD2 TYR A 24 -1.122 12.870 2.805 1.00 0.00 H ATOM 385 HE1 TYR A 24 -0.941 7.924 2.699 1.00 0.00 H ATOM 386 HE2 TYR A 24 -0.850 11.601 4.908 1.00 0.00 H ATOM 387 HH TYR A 24 -0.664 9.599 5.837 1.00 0.00 H ATOM 388 N THR A 25 -2.969 14.453 -1.000 1.00 0.00 N ATOM 389 CA THR A 25 -2.998 15.442 -2.071 1.00 0.00 C ATOM 390 C THR A 25 -1.819 16.401 -1.967 1.00 0.00 C ATOM 391 O THR A 25 -1.573 16.986 -0.912 1.00 0.00 O ATOM 392 CB THR A 25 -4.316 16.239 -2.053 1.00 0.00 C ATOM 393 OG1 THR A 25 -5.422 15.341 -2.208 1.00 0.00 O ATOM 394 CG2 THR A 25 -4.336 17.261 -3.180 1.00 0.00 C ATOM 395 H THR A 25 -3.029 14.764 -0.041 1.00 0.00 H ATOM 396 HA THR A 25 -2.941 14.920 -3.027 1.00 0.00 H ATOM 397 HB THR A 25 -4.415 16.756 -1.099 1.00 0.00 H ATOM 398 HG1 THR A 25 -5.831 15.188 -1.352 1.00 0.00 H ATOM 399 1HG2 THR A 25 -5.274 17.815 -3.152 1.00 0.00 H ATOM 400 2HG2 THR A 25 -3.502 17.952 -3.059 1.00 0.00 H ATOM 401 3HG2 THR A 25 -4.246 16.749 -4.137 1.00 0.00 H ATOM 402 N VAL A 26 -1.092 16.558 -3.068 1.00 0.00 N ATOM 403 CA VAL A 26 0.103 17.394 -3.084 1.00 0.00 C ATOM 404 C VAL A 26 0.009 18.467 -4.162 1.00 0.00 C ATOM 405 O VAL A 26 -0.370 18.187 -5.299 1.00 0.00 O ATOM 406 CB VAL A 26 1.355 16.532 -3.330 1.00 0.00 C ATOM 407 CG1 VAL A 26 2.575 17.415 -3.550 1.00 0.00 C ATOM 408 CG2 VAL A 26 1.575 15.592 -2.155 1.00 0.00 C ATOM 409 H VAL A 26 -1.374 16.086 -3.915 1.00 0.00 H ATOM 410 HA VAL A 26 0.198 17.881 -2.113 1.00 0.00 H ATOM 411 HB VAL A 26 1.211 15.950 -4.240 1.00 0.00 H ATOM 412 1HG1 VAL A 26 3.451 16.789 -3.722 1.00 0.00 H ATOM 413 2HG1 VAL A 26 2.410 18.054 -4.417 1.00 0.00 H ATOM 414 3HG1 VAL A 26 2.740 18.033 -2.668 1.00 0.00 H ATOM 415 1HG2 VAL A 26 2.461 14.985 -2.335 1.00 0.00 H ATOM 416 2HG2 VAL A 26 1.713 16.174 -1.243 1.00 0.00 H ATOM 417 3HG2 VAL A 26 0.707 14.941 -2.042 1.00 0.00 H ATOM 418 N THR A 27 0.358 19.696 -3.797 1.00 0.00 N ATOM 419 CA THR A 27 0.120 20.847 -4.660 1.00 0.00 C ATOM 420 C THR A 27 1.432 21.479 -5.109 1.00 0.00 C ATOM 421 O THR A 27 1.437 22.516 -5.773 1.00 0.00 O ATOM 422 CB THR A 27 -0.746 21.904 -3.949 1.00 0.00 C ATOM 423 OG1 THR A 27 -0.082 22.347 -2.758 1.00 0.00 O ATOM 424 CG2 THR A 27 -2.102 21.322 -3.581 1.00 0.00 C ATOM 425 H THR A 27 0.798 19.837 -2.899 1.00 0.00 H ATOM 426 HA THR A 27 -0.426 20.512 -5.542 1.00 0.00 H ATOM 427 HB THR A 27 -0.890 22.759 -4.608 1.00 0.00 H ATOM 428 HG1 THR A 27 0.312 21.593 -2.312 1.00 0.00 H ATOM 429 1HG2 THR A 27 -2.701 22.083 -3.080 1.00 0.00 H ATOM 430 2HG2 THR A 27 -2.615 20.994 -4.486 1.00 0.00 H ATOM 431 3HG2 THR A 27 -1.965 20.472 -2.915 1.00 0.00 H ATOM 432 N SER A 28 2.542 20.848 -4.742 1.00 0.00 N ATOM 433 CA SER A 28 3.860 21.308 -5.166 1.00 0.00 C ATOM 434 C SER A 28 4.898 20.201 -5.035 1.00 0.00 C ATOM 435 O SER A 28 4.733 19.273 -4.242 1.00 0.00 O ATOM 436 CB SER A 28 4.283 22.510 -4.345 1.00 0.00 C ATOM 437 OG SER A 28 4.527 22.148 -3.014 1.00 0.00 O ATOM 438 H SER A 28 2.472 20.030 -4.155 1.00 0.00 H ATOM 439 HA SER A 28 3.801 21.609 -6.213 1.00 0.00 H ATOM 440 1HB SER A 28 5.182 22.947 -4.777 1.00 0.00 H ATOM 441 2HB SER A 28 3.501 23.268 -4.381 1.00 0.00 H ATOM 442 HG SER A 28 3.752 22.424 -2.518 1.00 0.00 H ATOM 443 N ALA A 29 5.968 20.304 -5.816 1.00 0.00 N ATOM 444 CA ALA A 29 7.056 19.336 -5.756 1.00 0.00 C ATOM 445 C ALA A 29 7.749 19.370 -4.400 1.00 0.00 C ATOM 446 O ALA A 29 8.146 18.332 -3.868 1.00 0.00 O ATOM 447 CB ALA A 29 8.060 19.597 -6.869 1.00 0.00 C ATOM 448 H ALA A 29 6.028 21.073 -6.468 1.00 0.00 H ATOM 449 HA ALA A 29 6.642 18.339 -5.912 1.00 0.00 H ATOM 450 1HB ALA A 29 8.866 18.866 -6.811 1.00 0.00 H ATOM 451 2HB ALA A 29 7.562 19.512 -7.835 1.00 0.00 H ATOM 452 3HB ALA A 29 8.470 20.599 -6.761 1.00 0.00 H ATOM 453 N ASP A 30 7.893 20.568 -3.844 1.00 0.00 N ATOM 454 CA ASP A 30 8.460 20.731 -2.511 1.00 0.00 C ATOM 455 C ASP A 30 7.639 19.983 -1.468 1.00 0.00 C ATOM 456 O ASP A 30 8.190 19.309 -0.598 1.00 0.00 O ATOM 457 CB ASP A 30 8.539 22.214 -2.139 1.00 0.00 C ATOM 458 CG ASP A 30 9.608 22.965 -2.922 1.00 0.00 C ATOM 459 OD1 ASP A 30 10.458 22.324 -3.493 1.00 0.00 O ATOM 460 OD2 ASP A 30 9.564 24.172 -2.941 1.00 0.00 O ATOM 461 H ASP A 30 7.602 21.387 -4.359 1.00 0.00 H ATOM 462 HA ASP A 30 9.473 20.328 -2.514 1.00 0.00 H ATOM 463 1HB ASP A 30 7.574 22.687 -2.324 1.00 0.00 H ATOM 464 2HB ASP A 30 8.753 22.312 -1.075 1.00 0.00 H ATOM 465 N GLU A 31 6.320 20.107 -1.561 1.00 0.00 N ATOM 466 CA GLU A 31 5.418 19.378 -0.677 1.00 0.00 C ATOM 467 C GLU A 31 5.559 17.873 -0.865 1.00 0.00 C ATOM 468 O GLU A 31 5.561 17.114 0.105 1.00 0.00 O ATOM 469 CB GLU A 31 3.969 19.799 -0.928 1.00 0.00 C ATOM 470 CG GLU A 31 2.946 19.083 -0.058 1.00 0.00 C ATOM 471 CD GLU A 31 1.538 19.548 -0.307 1.00 0.00 C ATOM 472 OE1 GLU A 31 1.351 20.387 -1.155 1.00 0.00 O ATOM 473 OE2 GLU A 31 0.648 19.064 0.353 1.00 0.00 O ATOM 474 H GLU A 31 5.931 20.721 -2.262 1.00 0.00 H ATOM 475 HA GLU A 31 5.669 19.627 0.355 1.00 0.00 H ATOM 476 1HB GLU A 31 3.865 20.870 -0.754 1.00 0.00 H ATOM 477 2HB GLU A 31 3.711 19.611 -1.971 1.00 0.00 H ATOM 478 1HG GLU A 31 3.002 18.013 -0.254 1.00 0.00 H ATOM 479 2HG GLU A 31 3.198 19.246 0.989 1.00 0.00 H ATOM 480 N ALA A 32 5.678 17.447 -2.118 1.00 0.00 N ATOM 481 CA ALA A 32 5.859 16.035 -2.433 1.00 0.00 C ATOM 482 C ALA A 32 7.052 15.452 -1.686 1.00 0.00 C ATOM 483 O ALA A 32 6.957 14.385 -1.081 1.00 0.00 O ATOM 484 CB ALA A 32 6.029 15.844 -3.933 1.00 0.00 C ATOM 485 H ALA A 32 5.641 18.118 -2.871 1.00 0.00 H ATOM 486 HA ALA A 32 4.961 15.495 -2.131 1.00 0.00 H ATOM 487 1HB ALA A 32 6.164 14.785 -4.152 1.00 0.00 H ATOM 488 2HB ALA A 32 5.143 16.212 -4.449 1.00 0.00 H ATOM 489 3HB ALA A 32 6.903 16.398 -4.273 1.00 0.00 H ATOM 490 N GLU A 33 8.176 16.161 -1.733 1.00 0.00 N ATOM 491 CA GLU A 33 9.385 15.724 -1.046 1.00 0.00 C ATOM 492 C GLU A 33 9.168 15.652 0.460 1.00 0.00 C ATOM 493 O GLU A 33 9.477 14.643 1.094 1.00 0.00 O ATOM 494 CB GLU A 33 10.547 16.670 -1.358 1.00 0.00 C ATOM 495 CG GLU A 33 11.875 16.261 -0.738 1.00 0.00 C ATOM 496 CD GLU A 33 13.012 17.157 -1.144 1.00 0.00 C ATOM 497 OE1 GLU A 33 12.788 18.052 -1.924 1.00 0.00 O ATOM 498 OE2 GLU A 33 14.105 16.947 -0.675 1.00 0.00 O ATOM 499 H GLU A 33 8.192 17.023 -2.257 1.00 0.00 H ATOM 500 HA GLU A 33 9.650 14.730 -1.409 1.00 0.00 H ATOM 501 1HB GLU A 33 10.687 16.731 -2.438 1.00 0.00 H ATOM 502 2HB GLU A 33 10.306 17.672 -1.003 1.00 0.00 H ATOM 503 1HG GLU A 33 11.780 16.284 0.347 1.00 0.00 H ATOM 504 2HG GLU A 33 12.102 15.237 -1.034 1.00 0.00 H ATOM 505 N LYS A 34 8.635 16.729 1.028 1.00 0.00 N ATOM 506 CA LYS A 34 8.419 16.808 2.468 1.00 0.00 C ATOM 507 C LYS A 34 7.502 15.692 2.950 1.00 0.00 C ATOM 508 O LYS A 34 7.792 15.021 3.940 1.00 0.00 O ATOM 509 CB LYS A 34 7.836 18.170 2.848 1.00 0.00 C ATOM 510 CG LYS A 34 8.809 19.332 2.709 1.00 0.00 C ATOM 511 CD LYS A 34 8.140 20.657 3.044 1.00 0.00 C ATOM 512 CE LYS A 34 9.100 21.824 2.868 1.00 0.00 C ATOM 513 NZ LYS A 34 8.451 23.129 3.165 1.00 0.00 N ATOM 514 H LYS A 34 8.372 17.512 0.448 1.00 0.00 H ATOM 515 HA LYS A 34 9.383 16.708 2.968 1.00 0.00 H ATOM 516 1HB LYS A 34 6.969 18.382 2.221 1.00 0.00 H ATOM 517 2HB LYS A 34 7.493 18.143 3.883 1.00 0.00 H ATOM 518 1HG LYS A 34 9.655 19.182 3.381 1.00 0.00 H ATOM 519 2HG LYS A 34 9.183 19.373 1.686 1.00 0.00 H ATOM 520 1HD LYS A 34 7.278 20.804 2.393 1.00 0.00 H ATOM 521 2HD LYS A 34 7.793 20.638 4.078 1.00 0.00 H ATOM 522 1HE LYS A 34 9.953 21.697 3.533 1.00 0.00 H ATOM 523 2HE LYS A 34 9.468 21.840 1.842 1.00 0.00 H ATOM 524 1HZ LYS A 34 9.119 23.875 3.036 1.00 0.00 H ATOM 525 2HZ LYS A 34 7.668 23.266 2.540 1.00 0.00 H ATOM 526 3HZ LYS A 34 8.123 23.133 4.120 1.00 0.00 H ATOM 527 N LEU A 35 6.393 15.498 2.244 1.00 0.00 N ATOM 528 CA LEU A 35 5.434 14.456 2.593 1.00 0.00 C ATOM 529 C LEU A 35 6.069 13.074 2.513 1.00 0.00 C ATOM 530 O LEU A 35 5.951 12.271 3.439 1.00 0.00 O ATOM 531 CB LEU A 35 4.218 14.522 1.662 1.00 0.00 C ATOM 532 CG LEU A 35 3.170 13.418 1.857 1.00 0.00 C ATOM 533 CD1 LEU A 35 2.635 13.472 3.281 1.00 0.00 C ATOM 534 CD2 LEU A 35 2.049 13.597 0.844 1.00 0.00 C ATOM 535 H LEU A 35 6.210 16.087 1.444 1.00 0.00 H ATOM 536 HA LEU A 35 5.096 14.627 3.616 1.00 0.00 H ATOM 537 1HB LEU A 35 3.720 15.479 1.807 1.00 0.00 H ATOM 538 2HB LEU A 35 4.566 14.469 0.630 1.00 0.00 H ATOM 539 HG LEU A 35 3.637 12.443 1.713 1.00 0.00 H ATOM 540 1HD1 LEU A 35 1.890 12.688 3.420 1.00 0.00 H ATOM 541 2HD1 LEU A 35 3.454 13.322 3.984 1.00 0.00 H ATOM 542 3HD1 LEU A 35 2.175 14.443 3.460 1.00 0.00 H ATOM 543 1HD2 LEU A 35 1.305 12.812 0.982 1.00 0.00 H ATOM 544 2HD2 LEU A 35 1.581 14.570 0.988 1.00 0.00 H ATOM 545 3HD2 LEU A 35 2.457 13.536 -0.165 1.00 0.00 H ATOM 546 N ALA A 36 6.744 12.802 1.401 1.00 0.00 N ATOM 547 CA ALA A 36 7.408 11.519 1.203 1.00 0.00 C ATOM 548 C ALA A 36 8.262 11.148 2.409 1.00 0.00 C ATOM 549 O ALA A 36 8.222 10.013 2.884 1.00 0.00 O ATOM 550 CB ALA A 36 8.260 11.553 -0.058 1.00 0.00 C ATOM 551 H ALA A 36 6.798 13.501 0.675 1.00 0.00 H ATOM 552 HA ALA A 36 6.645 10.752 1.065 1.00 0.00 H ATOM 553 1HB ALA A 36 8.750 10.589 -0.192 1.00 0.00 H ATOM 554 2HB ALA A 36 7.627 11.762 -0.920 1.00 0.00 H ATOM 555 3HB ALA A 36 9.015 12.333 0.035 1.00 0.00 H ATOM 556 N LYS A 37 9.033 12.112 2.900 1.00 0.00 N ATOM 557 CA LYS A 37 9.870 11.899 4.075 1.00 0.00 C ATOM 558 C LYS A 37 9.023 11.653 5.317 1.00 0.00 C ATOM 559 O LYS A 37 9.342 10.792 6.137 1.00 0.00 O ATOM 560 CB LYS A 37 10.795 13.096 4.297 1.00 0.00 C ATOM 561 CG LYS A 37 11.892 13.246 3.251 1.00 0.00 C ATOM 562 CD LYS A 37 12.729 14.492 3.503 1.00 0.00 C ATOM 563 CE LYS A 37 13.817 14.651 2.451 1.00 0.00 C ATOM 564 NZ LYS A 37 14.609 15.894 2.653 1.00 0.00 N ATOM 565 H LYS A 37 9.040 13.015 2.448 1.00 0.00 H ATOM 566 HA LYS A 37 10.496 11.023 3.900 1.00 0.00 H ATOM 567 1HB LYS A 37 10.208 14.015 4.300 1.00 0.00 H ATOM 568 2HB LYS A 37 11.274 13.010 5.273 1.00 0.00 H ATOM 569 1HG LYS A 37 12.542 12.371 3.277 1.00 0.00 H ATOM 570 2HG LYS A 37 11.443 13.315 2.261 1.00 0.00 H ATOM 571 1HD LYS A 37 12.086 15.372 3.485 1.00 0.00 H ATOM 572 2HD LYS A 37 13.195 14.424 4.486 1.00 0.00 H ATOM 573 1HE LYS A 37 14.489 13.795 2.491 1.00 0.00 H ATOM 574 2HE LYS A 37 13.363 14.681 1.460 1.00 0.00 H ATOM 575 1HZ LYS A 37 15.318 15.962 1.936 1.00 0.00 H ATOM 576 2HZ LYS A 37 13.997 16.696 2.598 1.00 0.00 H ATOM 577 3HZ LYS A 37 15.050 15.869 3.561 1.00 0.00 H ATOM 578 N LYS A 38 7.944 12.416 5.451 1.00 0.00 N ATOM 579 CA LYS A 38 7.029 12.258 6.576 1.00 0.00 C ATOM 580 C LYS A 38 6.378 10.881 6.568 1.00 0.00 C ATOM 581 O LYS A 38 6.116 10.301 7.622 1.00 0.00 O ATOM 582 CB LYS A 38 5.956 13.348 6.551 1.00 0.00 C ATOM 583 CG LYS A 38 6.464 14.740 6.901 1.00 0.00 C ATOM 584 CD LYS A 38 5.362 15.780 6.770 1.00 0.00 C ATOM 585 CE LYS A 38 5.876 17.176 7.089 1.00 0.00 C ATOM 586 NZ LYS A 38 4.812 18.207 6.949 1.00 0.00 N ATOM 587 H LYS A 38 7.751 13.123 4.756 1.00 0.00 H ATOM 588 HA LYS A 38 7.596 12.371 7.501 1.00 0.00 H ATOM 589 1HB LYS A 38 5.509 13.395 5.557 1.00 0.00 H ATOM 590 2HB LYS A 38 5.163 13.094 7.255 1.00 0.00 H ATOM 591 1HG LYS A 38 6.836 14.744 7.926 1.00 0.00 H ATOM 592 2HG LYS A 38 7.284 15.006 6.234 1.00 0.00 H ATOM 593 1HD LYS A 38 4.971 15.770 5.751 1.00 0.00 H ATOM 594 2HD LYS A 38 4.549 15.537 7.454 1.00 0.00 H ATOM 595 1HE LYS A 38 6.255 17.199 8.110 1.00 0.00 H ATOM 596 2HE LYS A 38 6.696 17.425 6.416 1.00 0.00 H ATOM 597 1HZ LYS A 38 5.192 19.116 7.168 1.00 0.00 H ATOM 598 2HZ LYS A 38 4.466 18.207 5.999 1.00 0.00 H ATOM 599 3HZ LYS A 38 4.054 17.997 7.583 1.00 0.00 H ATOM 600 N LEU A 39 6.119 10.362 5.372 1.00 0.00 N ATOM 601 CA LEU A 39 5.480 9.060 5.225 1.00 0.00 C ATOM 602 C LEU A 39 6.438 7.932 5.585 1.00 0.00 C ATOM 603 O LEU A 39 6.022 6.891 6.094 1.00 0.00 O ATOM 604 CB LEU A 39 4.980 8.875 3.787 1.00 0.00 C ATOM 605 CG LEU A 39 3.854 9.819 3.347 1.00 0.00 C ATOM 606 CD1 LEU A 39 3.531 9.576 1.879 1.00 0.00 C ATOM 607 CD2 LEU A 39 2.630 9.592 4.221 1.00 0.00 C ATOM 608 H LEU A 39 6.371 10.883 4.545 1.00 0.00 H ATOM 609 HA LEU A 39 4.621 9.018 5.896 1.00 0.00 H ATOM 610 1HB LEU A 39 5.818 9.019 3.106 1.00 0.00 H ATOM 611 2HB LEU A 39 4.618 7.853 3.673 1.00 0.00 H ATOM 612 HG LEU A 39 4.186 10.853 3.448 1.00 0.00 H ATOM 613 1HD1 LEU A 39 2.731 10.247 1.566 1.00 0.00 H ATOM 614 2HD1 LEU A 39 4.418 9.764 1.275 1.00 0.00 H ATOM 615 3HD1 LEU A 39 3.211 8.543 1.743 1.00 0.00 H ATOM 616 1HD2 LEU A 39 1.830 10.264 3.909 1.00 0.00 H ATOM 617 2HD2 LEU A 39 2.297 8.559 4.120 1.00 0.00 H ATOM 618 3HD2 LEU A 39 2.885 9.791 5.262 1.00 0.00 H ATOM 619 N LYS A 40 7.722 8.145 5.319 1.00 0.00 N ATOM 620 CA LYS A 40 8.758 7.213 5.746 1.00 0.00 C ATOM 621 C LYS A 40 8.815 7.112 7.265 1.00 0.00 C ATOM 622 O LYS A 40 9.076 6.043 7.817 1.00 0.00 O ATOM 623 CB LYS A 40 10.120 7.637 5.196 1.00 0.00 C ATOM 624 CG LYS A 40 10.279 7.447 3.693 1.00 0.00 C ATOM 625 CD LYS A 40 11.643 7.924 3.217 1.00 0.00 C ATOM 626 CE LYS A 40 11.796 7.750 1.713 1.00 0.00 C ATOM 627 NZ LYS A 40 13.128 8.209 1.233 1.00 0.00 N ATOM 628 H LYS A 40 7.987 8.974 4.806 1.00 0.00 H ATOM 629 HA LYS A 40 8.527 6.228 5.339 1.00 0.00 H ATOM 630 1HB LYS A 40 10.292 8.691 5.420 1.00 0.00 H ATOM 631 2HB LYS A 40 10.907 7.066 5.690 1.00 0.00 H ATOM 632 1HG LYS A 40 10.165 6.391 3.446 1.00 0.00 H ATOM 633 2HG LYS A 40 9.504 8.010 3.172 1.00 0.00 H ATOM 634 1HD LYS A 40 11.768 8.978 3.467 1.00 0.00 H ATOM 635 2HD LYS A 40 12.423 7.354 3.720 1.00 0.00 H ATOM 636 1HE LYS A 40 11.673 6.699 1.454 1.00 0.00 H ATOM 637 2HE LYS A 40 11.023 8.320 1.200 1.00 0.00 H ATOM 638 1HZ LYS A 40 13.189 8.078 0.233 1.00 0.00 H ATOM 639 2HZ LYS A 40 13.245 9.189 1.451 1.00 0.00 H ATOM 640 3HZ LYS A 40 13.853 7.674 1.687 1.00 0.00 H ATOM 641 N LYS A 41 8.570 8.231 7.937 1.00 0.00 N ATOM 642 CA LYS A 41 8.576 8.267 9.395 1.00 0.00 C ATOM 643 C LYS A 41 7.243 7.796 9.963 1.00 0.00 C ATOM 644 O LYS A 41 7.197 7.156 11.013 1.00 0.00 O ATOM 645 CB LYS A 41 8.892 9.678 9.895 1.00 0.00 C ATOM 646 CG LYS A 41 10.316 10.139 9.616 1.00 0.00 C ATOM 647 CD LYS A 41 10.545 11.558 10.117 1.00 0.00 C ATOM 648 CE LYS A 41 11.964 12.026 9.826 1.00 0.00 C ATOM 649 NZ LYS A 41 12.192 13.424 10.281 1.00 0.00 N ATOM 650 H LYS A 41 8.373 9.080 7.425 1.00 0.00 H ATOM 651 HA LYS A 41 9.363 7.603 9.754 1.00 0.00 H ATOM 652 1HB LYS A 41 8.212 10.390 9.428 1.00 0.00 H ATOM 653 2HB LYS A 41 8.729 9.727 10.972 1.00 0.00 H ATOM 654 1HG LYS A 41 11.020 9.470 10.112 1.00 0.00 H ATOM 655 2HG LYS A 41 10.506 10.107 8.544 1.00 0.00 H ATOM 656 1HD LYS A 41 9.841 12.234 9.629 1.00 0.00 H ATOM 657 2HD LYS A 41 10.374 11.596 11.192 1.00 0.00 H ATOM 658 1HE LYS A 41 12.673 11.372 10.331 1.00 0.00 H ATOM 659 2HE LYS A 41 12.153 11.971 8.754 1.00 0.00 H ATOM 660 1HZ LYS A 41 13.142 13.696 10.071 1.00 0.00 H ATOM 661 2HZ LYS A 41 11.552 14.043 9.805 1.00 0.00 H ATOM 662 3HZ LYS A 41 12.039 13.484 11.278 1.00 0.00 H ATOM 663 N GLU A 42 6.161 8.118 9.263 1.00 0.00 N ATOM 664 CA GLU A 42 4.820 7.788 9.732 1.00 0.00 C ATOM 665 C GLU A 42 4.566 6.287 9.662 1.00 0.00 C ATOM 666 O GLU A 42 4.087 5.684 10.623 1.00 0.00 O ATOM 667 CB GLU A 42 3.768 8.531 8.905 1.00 0.00 C ATOM 668 CG GLU A 42 2.332 8.278 9.341 1.00 0.00 C ATOM 669 CD GLU A 42 1.335 9.107 8.580 1.00 0.00 C ATOM 670 OE1 GLU A 42 1.747 9.893 7.761 1.00 0.00 O ATOM 671 OE2 GLU A 42 0.160 8.955 8.818 1.00 0.00 O ATOM 672 H GLU A 42 6.269 8.603 8.384 1.00 0.00 H ATOM 673 HA GLU A 42 4.726 8.111 10.769 1.00 0.00 H ATOM 674 1HB GLU A 42 3.951 9.604 8.964 1.00 0.00 H ATOM 675 2HB GLU A 42 3.856 8.241 7.858 1.00 0.00 H ATOM 676 1HG GLU A 42 2.099 7.224 9.193 1.00 0.00 H ATOM 677 2HG GLU A 42 2.242 8.496 10.404 1.00 0.00 H ATOM 678 N TYR A 43 4.890 5.689 8.521 1.00 0.00 N ATOM 679 CA TYR A 43 4.615 4.276 8.291 1.00 0.00 C ATOM 680 C TYR A 43 5.847 3.423 8.567 1.00 0.00 C ATOM 681 O TYR A 43 6.979 3.876 8.396 1.00 0.00 O ATOM 682 OXT TYR A 43 5.721 2.295 8.956 1.00 0.00 O ATOM 683 CB TYR A 43 4.125 4.052 6.859 1.00 0.00 C ATOM 684 CG TYR A 43 2.766 4.655 6.578 1.00 0.00 C ATOM 685 CD1 TYR A 43 2.647 6.016 6.338 1.00 0.00 C ATOM 686 CD2 TYR A 43 1.639 3.847 6.561 1.00 0.00 C ATOM 687 CE1 TYR A 43 1.406 6.567 6.081 1.00 0.00 C ATOM 688 CE2 TYR A 43 0.398 4.397 6.304 1.00 0.00 C ATOM 689 CZ TYR A 43 0.280 5.751 6.065 1.00 0.00 C ATOM 690 OH TYR A 43 -0.956 6.300 5.809 1.00 0.00 O ATOM 691 H TYR A 43 5.339 6.228 7.794 1.00 0.00 H ATOM 692 HA TYR A 43 3.816 3.965 8.966 1.00 0.00 H ATOM 693 1HB TYR A 43 4.840 4.483 6.158 1.00 0.00 H ATOM 694 2HB TYR A 43 4.071 2.983 6.656 1.00 0.00 H ATOM 695 HD1 TYR A 43 3.533 6.651 6.352 1.00 0.00 H ATOM 696 HD2 TYR A 43 1.732 2.778 6.750 1.00 0.00 H ATOM 697 HE1 TYR A 43 1.313 7.636 5.893 1.00 0.00 H ATOM 698 HE2 TYR A 43 -0.488 3.762 6.291 1.00 0.00 H ATOM 699 HH TYR A 43 -0.852 7.226 5.580 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE nods_new_heeh_17.bp_pass_20151106190001_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_intra_sol_xover4 lk_ball_wtd fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 rama omega fa_dun p_aa_pp yhh_planarity ref total weights 1 0.55 1 0.005 1 1 1 1.25 1.17 1.17 1.17 1.1 1.25 0.25 0.625 0.7 0.4 0.625 1 NA pose -193.324 20.2307 86.0075 0.43819 4.99716 -2.89196 -19.4479 0.12578 -23.8555 -2.66322 -2.65255 -5.04385 0 -6.36383 4.13653 44.6883 -7.83585 0.00602 5.15942 -98.2886 THR:NtermProteinFull_1 -2.83508 0.26659 1.2751 0.00963 0.04368 -0.15329 -0.09687 0 0 0 0 0 0 0 0.04727 0.05791 0 0 0.72083 -0.66424 ILE_2 -6.40483 0.93318 -0.09127 0.03269 0.08919 -0.07389 -0.37811 0 0 0 0 0 0 -0.11271 0.0004 1.00553 0.13641 0 2.27849 -2.58494 ASP_3 -3.78113 0.53551 2.19835 0.0036 0.23847 -0.08842 -0.28342 0 0 0 0 0 0 -0.1235 0.01692 1.59976 0.05227 0 -2.00354 -1.63514 GLU_4 -3.72393 0.19374 2.55491 0.00683 0.21519 -0.14064 -0.10291 0 0 0 0 0 0 -0.29425 0.08187 2.63768 -0.19136 0 -2.28137 -1.04425 ILE_5 -6.16728 0.77403 0.86247 0.02972 0.03481 -0.00226 -0.09259 0 0 0 0 0 0 -0.0171 0.00042 0.13267 -0.13171 0 2.27849 -2.29833 ILE_6 -7.73528 0.64832 1.98926 0.02811 0.03471 -0.10747 -0.59489 0 0 0 0 0 0 -0.00145 0.00459 0.14944 -0.1463 0 2.27849 -3.45247 LYS_7 -4.40903 0.28971 3.30301 0.0063 0.07302 -0.11707 -0.53871 0 0 0 0 0 0 -0.2662 0.07712 1.03264 -0.0622 0 -0.47142 -1.08284 ALA_8 -4.0727 0.21128 1.55412 0.00082 0 -0.0001 -0.32313 0 0 0 0 0 0 -0.21707 0.038 0 -0.23886 0 1.56209 -1.48556 LEU_9 -7.80726 1.10711 0.33038 0.01411 0.02895 0 -0.39117 0 0 0 0 0 0 -0.15477 0.00055 0.34276 -0.15258 0 1.68043 -5.00148 GLU_10 -5.3652 0.34777 3.93261 0.00701 0.22235 -0.1979 -1.06508 0 0 0 0 0 0 -0.33209 0.15294 2.6552 -0.1601 0 -2.28137 -2.08385 GLN_11 -4.90475 0.20329 4.18876 0.00956 0.62951 -0.12071 -1.08042 0 0 0 0 -0.64992 0 -0.21696 0.11422 2.51827 -0.17343 0 -1.60738 -1.08997 ALA_12 -5.46809 0.39799 1.93249 0.00085 0 -0.01755 -0.40982 0 0 0 0 0 0 -0.28917 0.17559 0 -0.24443 0 1.56209 -2.36003 VAL_13 -5.31406 0.78127 1.90077 0.01852 0.02431 -0.08507 -0.04987 0 0 0 0 0 0 0.01194 0.00023 -0.00379 -0.10352 0 2.2876 -0.53167 LYS_14 -3.61127 0.20143 2.68616 0.00639 0.0743 -0.23747 -0.45315 0 0 0 0 0 0 -0.24098 0.06963 1.01612 -0.06455 0 -0.47142 -1.02482 ASP_15 -4.38249 0.34791 3.98508 0.00387 0.26139 -0.17112 -1.0998 0 0 0 0 -0.64992 0 -0.32737 0.02578 2.31744 -0.31547 0 -2.00354 -2.00825 ASN_16 -2.69014 0.37863 1.99975 0.00692 0.23155 -0.13775 -0.01617 0 0 0 0 0 0 -0.24338 0.10063 1.82067 -0.72662 0 -1.09912 -0.37504 LYS_17 -4.50761 0.50624 2.5931 0.0109 0.15261 -0.07219 -0.41944 0.00927 0 0 0 0 0 -0.07881 0.42413 1.52383 0.01878 0 -0.47142 -0.31062 PRO_18 -2.55738 0.38586 0.84379 0.00296 0.06375 -0.00127 -0.10634 0.11651 0 0 0 0 0 -0.21174 0.22795 0.32265 -0.74969 0 -0.97642 -2.63936 ILE_19 -4.72769 0.92517 -0.04039 0.02801 0.03045 -0.00089 -0.50315 0 0 0 0 0 0 0.27641 0.6096 0.28909 0.2186 0 2.27849 -0.61631 GLN_20 -2.51284 0.23879 1.1254 0.0069 0.17679 0.12206 -0.69243 0 0 0 0 -0.85622 0 0.04364 0.34637 2.89179 0.11922 0 -1.60738 -0.5979 VAL_21 -4.36905 0.71331 0.22879 0.01559 0.02146 -0.00127 -0.44532 0 0 0 0 0 0 -0.13516 0.08969 0.14064 -0.4174 0 2.2876 -1.87111 GLY_22 -1.05176 0.10949 0.83357 1e-05 0 -0.04296 -0.05368 0 0 0 0 0 0 0.04149 6e-05 0 -0.90703 0 0.8121 -0.25872 ASN_23 -1.40617 0.05566 0.81099 0.00574 0.22361 -0.05308 -0.11513 0 0 0 0 0 0 -0.3356 0.002 1.78839 -0.48253 0 -1.09912 -0.60525 TYR_24 -5.39081 0.38803 1.56638 0.02527 0.18492 0.00886 -0.79229 0 0 0 0 -0.60484 0 -0.19063 0.02095 1.68287 -0.19579 7e-05 0.21729 -3.07971 THR_25 -2.26719 0.09026 1.1961 0.00861 0.03644 0.067 -0.09131 0 0 0 0 -0.85622 0 -0.02413 0.06281 0.07129 -0.14406 0 0.72083 -1.12957 VAL_26 -6.3015 1.87792 0.62679 0.01804 0.0202 -0.20744 -0.51166 0 0 0 0 0 0 -0.25502 0.58512 0.41202 -0.4803 0 2.2876 -1.92822 THR_27 -2.16039 0.20209 1.83089 0.00579 0.0618 -0.06718 -1.141 0 0 0 -0.53823 -0.41095 0 -0.16672 0.06816 0.00607 -0.37064 0 0.72083 -1.95947 SER_28 -3.90499 0.51843 3.24806 0.00131 0.05698 -0.06834 -0.68844 0 0 0 -0.78804 0 0 -0.12337 0.02792 0.25932 -0.36522 0 0.5 -1.3264 ALA_29 -3.9886 0.50067 1.39243 0.00083 0 -0.02562 -0.24575 0 0 0 0 0 0 -0.26145 0.10229 0 -0.22436 0 1.56209 -1.18747 ASP_30 -3.00326 0.16858 2.42942 0.00359 0.2363 -0.0965 -0.12639 0 0 0 0 0 0 -0.09665 0.09144 1.61884 0.06497 0 -2.00354 -0.7132 GLU_31 -6.36765 0.62563 5.19434 0.01003 0.2877 -0.14415 -1.85695 0 0 0 -1.32628 -0.41095 0 -0.27701 0.02065 3.0314 -0.13762 0 -2.28137 -3.63223 ALA_32 -5.72067 0.71421 1.09542 0.0008 0 7e-05 -0.4746 0 0 0 0 0 0 -0.05518 0.0043 0 -0.15855 0 1.56209 -3.03211 GLU_33 -4.67062 0.29535 3.26105 0.0088 0.252 -0.11783 -0.73425 0 0 0 0 0 0 -0.13784 0.03008 2.6826 -0.13477 0 -2.28137 -1.5468 LYS_34 -4.33215 0.24762 3.05367 0.00634 0.07116 -0.05398 -0.38554 0 0 0 0 0 0 -0.16101 0.0011 1.16655 -0.0424 0 -0.47142 -0.90005 LEU_35 -6.69558 0.88428 1.36248 0.01593 0.06723 -0.00547 -0.54722 0 0 0 0 0 0 -0.0392 0.00143 0.46613 -0.14045 0 1.68043 -2.95003 ALA_36 -5.35519 0.37724 1.87042 0.0008 0 -0.01057 -0.33786 0 0 0 0 0 0 0.03921 0.0193 0 -0.16817 0 1.56209 -2.00274 LYS_37 -4.64195 0.28571 3.57677 0.00638 0.073 -0.0767 -0.74776 0 0 0 0 0 0 -0.25368 0.01728 1.00899 -0.05313 0 -0.47142 -1.27651 LYS_38 -4.61137 0.38222 3.19198 0.00636 0.07508 -0.01743 -0.41369 0 0 0 0 0 0 -0.30817 0.00521 0.96763 -0.05211 0 -0.47142 -1.24571 LEU_39 -8.50425 0.98118 0.84233 0.01521 0.0313 -0.04157 -0.42587 0 0 0 0 0 0 -0.174 0.29392 0.18824 -0.15653 0 1.68043 -5.26961 LYS_40 -4.1689 0.30895 2.69569 0.00634 0.07401 -0.03111 -0.28458 0 0 0 0 0 0 -0.30313 0.00402 0.93946 -0.05335 0 -0.47142 -1.28402 LYS_41 -2.51646 0.10158 2.0424 0.00638 0.07533 -0.00176 0.20924 0 0 0 0 0 0 -0.19071 0.06459 1.00287 -0.16689 0 -0.47142 0.15515 GLU_42 -3.67489 0.21779 2.64681 0.0091 0.25969 -0.19451 -0.28406 0 0 0 0 0 0 -0.16031 0.11001 2.86682 -0.13397 0 -2.28137 -0.61889 TYR:CtermProteinFull_43 -5.24209 0.5107 1.88685 0.02726 0.26394 -0.10743 -0.25631 0 0 0 0 -0.60484 0 0 0 2.0785 0 0.00595 0.21729 -1.2202 #END_POSE_ENERGIES_TABLE nods_new_heeh_17.bp_pass_20151106190001_0001.pdb AlaCount 5 bb -0.061921 buried_minus_exposed 3674.35 buried_np 5287.18 buried_over_exposed 3.27819 cavity_volume 10.2793 contact_all 250 contact_core_SASA 125 contact_core_SCN 250 degree 9.65116 exposed_hydrophobics 1612.82 exposed_polars 1595.08 exposed_total 3207.9 fxn_exposed_is_np 0.502766 holes 0.305525 mismatch_probability 0.227972 pack 0.611859 percent_core_SASA 0.0930016 percent_core_SCN 0.162753 res_count_core_SASA 4 res_count_core_SCN 7 sidechain_neighbors -91.8456 ss_sc 0.809256 unsat_hbond 4
HEEH_rd3_0726.pdb
ATOM 1 N THR A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA THR A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C THR A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O THR A 1 1.265 2.385 -0.180 1.00 0.00 O ATOM 5 CB THR A 1 2.012 -0.770 -1.213 1.00 0.00 C ATOM 6 OG1 THR A 1 1.626 -0.104 -2.422 1.00 0.00 O ATOM 7 CG2 THR A 1 1.479 -2.194 -1.230 1.00 0.00 C ATOM 8 1H THR A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 9 2H THR A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 10 3H THR A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 11 HA THR A 1 1.804 -0.509 0.900 1.00 0.00 H ATOM 12 HB THR A 1 3.101 -0.796 -1.161 1.00 0.00 H ATOM 13 HG1 THR A 1 0.878 -0.561 -2.814 1.00 0.00 H ATOM 14 1HG2 THR A 1 1.881 -2.723 -2.094 1.00 0.00 H ATOM 15 2HG2 THR A 1 1.780 -2.707 -0.317 1.00 0.00 H ATOM 16 3HG2 THR A 1 0.391 -2.174 -1.292 1.00 0.00 H ATOM 17 N GLU A 2 3.316 1.542 0.203 1.00 0.00 N ATOM 18 CA GLU A 2 3.979 2.840 0.168 1.00 0.00 C ATOM 19 C GLU A 2 4.021 3.400 -1.248 1.00 0.00 C ATOM 20 O GLU A 2 3.951 4.612 -1.449 1.00 0.00 O ATOM 21 CB GLU A 2 5.400 2.729 0.725 1.00 0.00 C ATOM 22 CG GLU A 2 5.469 2.414 2.213 1.00 0.00 C ATOM 23 CD GLU A 2 4.813 3.465 3.065 1.00 0.00 C ATOM 24 OE1 GLU A 2 5.134 4.618 2.904 1.00 0.00 O ATOM 25 OE2 GLU A 2 3.989 3.115 3.876 1.00 0.00 O ATOM 26 H GLU A 2 3.865 0.714 0.385 1.00 0.00 H ATOM 27 HA GLU A 2 3.420 3.531 0.800 1.00 0.00 H ATOM 28 1HB GLU A 2 5.939 1.946 0.193 1.00 0.00 H ATOM 29 2HB GLU A 2 5.931 3.666 0.557 1.00 0.00 H ATOM 30 1HG GLU A 2 4.979 1.458 2.395 1.00 0.00 H ATOM 31 2HG GLU A 2 6.513 2.317 2.505 1.00 0.00 H ATOM 32 N LEU A 3 4.136 2.509 -2.227 1.00 0.00 N ATOM 33 CA LEU A 3 4.001 2.890 -3.628 1.00 0.00 C ATOM 34 C LEU A 3 2.629 3.490 -3.907 1.00 0.00 C ATOM 35 O LEU A 3 2.519 4.559 -4.506 1.00 0.00 O ATOM 36 CB LEU A 3 4.226 1.671 -4.532 1.00 0.00 C ATOM 37 CG LEU A 3 3.990 1.901 -6.031 1.00 0.00 C ATOM 38 CD1 LEU A 3 4.966 2.952 -6.543 1.00 0.00 C ATOM 39 CD2 LEU A 3 4.158 0.588 -6.779 1.00 0.00 C ATOM 40 H LEU A 3 4.322 1.544 -1.995 1.00 0.00 H ATOM 41 HA LEU A 3 4.763 3.636 -3.859 1.00 0.00 H ATOM 42 1HB LEU A 3 5.252 1.330 -4.407 1.00 0.00 H ATOM 43 2HB LEU A 3 3.558 0.872 -4.211 1.00 0.00 H ATOM 44 HG LEU A 3 2.980 2.281 -6.186 1.00 0.00 H ATOM 45 1HD1 LEU A 3 4.798 3.116 -7.608 1.00 0.00 H ATOM 46 2HD1 LEU A 3 4.810 3.887 -6.004 1.00 0.00 H ATOM 47 3HD1 LEU A 3 5.987 2.607 -6.386 1.00 0.00 H ATOM 48 1HD2 LEU A 3 3.990 0.751 -7.844 1.00 0.00 H ATOM 49 2HD2 LEU A 3 5.168 0.208 -6.626 1.00 0.00 H ATOM 50 3HD2 LEU A 3 3.437 -0.139 -6.405 1.00 0.00 H ATOM 51 N LYS A 4 1.585 2.796 -3.467 1.00 0.00 N ATOM 52 CA LYS A 4 0.219 3.275 -3.639 1.00 0.00 C ATOM 53 C LYS A 4 0.064 4.697 -3.115 1.00 0.00 C ATOM 54 O LYS A 4 -0.572 5.538 -3.751 1.00 0.00 O ATOM 55 CB LYS A 4 -0.768 2.344 -2.934 1.00 0.00 C ATOM 56 CG LYS A 4 -2.233 2.709 -3.137 1.00 0.00 C ATOM 57 CD LYS A 4 -3.153 1.684 -2.491 1.00 0.00 C ATOM 58 CE LYS A 4 -4.616 2.051 -2.689 1.00 0.00 C ATOM 59 NZ LYS A 4 -5.529 1.059 -2.057 1.00 0.00 N ATOM 60 H LYS A 4 1.742 1.913 -3.002 1.00 0.00 H ATOM 61 HA LYS A 4 -0.019 3.267 -4.704 1.00 0.00 H ATOM 62 1HB LYS A 4 -0.625 1.324 -3.291 1.00 0.00 H ATOM 63 2HB LYS A 4 -0.569 2.347 -1.862 1.00 0.00 H ATOM 64 1HG LYS A 4 -2.428 3.688 -2.698 1.00 0.00 H ATOM 65 2HG LYS A 4 -2.450 2.760 -4.204 1.00 0.00 H ATOM 66 1HD LYS A 4 -2.970 0.703 -2.931 1.00 0.00 H ATOM 67 2HD LYS A 4 -2.943 1.629 -1.423 1.00 0.00 H ATOM 68 1HE LYS A 4 -4.808 3.031 -2.254 1.00 0.00 H ATOM 69 2HE LYS A 4 -4.838 2.101 -3.755 1.00 0.00 H ATOM 70 1HZ LYS A 4 -6.488 1.337 -2.211 1.00 0.00 H ATOM 71 2HZ LYS A 4 -5.373 0.149 -2.466 1.00 0.00 H ATOM 72 3HZ LYS A 4 -5.346 1.017 -1.065 1.00 0.00 H ATOM 73 N LYS A 5 0.649 4.960 -1.952 1.00 0.00 N ATOM 74 CA LYS A 5 0.638 6.299 -1.374 1.00 0.00 C ATOM 75 C LYS A 5 1.267 7.313 -2.321 1.00 0.00 C ATOM 76 O LYS A 5 0.696 8.371 -2.581 1.00 0.00 O ATOM 77 CB LYS A 5 1.370 6.309 -0.031 1.00 0.00 C ATOM 78 CG LYS A 5 0.646 5.568 1.085 1.00 0.00 C ATOM 79 CD LYS A 5 1.478 5.536 2.358 1.00 0.00 C ATOM 80 CE LYS A 5 0.789 4.733 3.452 1.00 0.00 C ATOM 81 NZ LYS A 5 1.640 4.600 4.665 1.00 0.00 N ATOM 82 H LYS A 5 1.114 4.214 -1.454 1.00 0.00 H ATOM 83 HA LYS A 5 -0.398 6.588 -1.190 1.00 0.00 H ATOM 84 1HB LYS A 5 2.354 5.856 -0.150 1.00 0.00 H ATOM 85 2HB LYS A 5 1.520 7.339 0.294 1.00 0.00 H ATOM 86 1HG LYS A 5 -0.304 6.061 1.294 1.00 0.00 H ATOM 87 2HG LYS A 5 0.441 4.545 0.770 1.00 0.00 H ATOM 88 1HD LYS A 5 2.450 5.088 2.147 1.00 0.00 H ATOM 89 2HD LYS A 5 1.637 6.554 2.714 1.00 0.00 H ATOM 90 1HE LYS A 5 -0.144 5.222 3.729 1.00 0.00 H ATOM 91 2HE LYS A 5 0.554 3.737 3.078 1.00 0.00 H ATOM 92 1HZ LYS A 5 1.149 4.062 5.364 1.00 0.00 H ATOM 93 2HZ LYS A 5 2.501 4.130 4.423 1.00 0.00 H ATOM 94 3HZ LYS A 5 1.850 5.517 5.032 1.00 0.00 H ATOM 95 N LYS A 6 2.448 6.982 -2.833 1.00 0.00 N ATOM 96 CA LYS A 6 3.127 7.833 -3.803 1.00 0.00 C ATOM 97 C LYS A 6 2.272 8.043 -5.046 1.00 0.00 C ATOM 98 O LYS A 6 2.157 9.160 -5.551 1.00 0.00 O ATOM 99 CB LYS A 6 4.479 7.231 -4.190 1.00 0.00 C ATOM 100 CG LYS A 6 5.266 8.051 -5.204 1.00 0.00 C ATOM 101 CD LYS A 6 6.613 7.412 -5.506 1.00 0.00 C ATOM 102 CE LYS A 6 7.402 8.232 -6.516 1.00 0.00 C ATOM 103 NZ LYS A 6 8.735 7.634 -6.797 1.00 0.00 N ATOM 104 H LYS A 6 2.886 6.120 -2.544 1.00 0.00 H ATOM 105 HA LYS A 6 3.316 8.803 -3.341 1.00 0.00 H ATOM 106 1HB LYS A 6 5.096 7.119 -3.299 1.00 0.00 H ATOM 107 2HB LYS A 6 4.327 6.237 -4.610 1.00 0.00 H ATOM 108 1HG LYS A 6 4.695 8.131 -6.130 1.00 0.00 H ATOM 109 2HG LYS A 6 5.429 9.054 -4.812 1.00 0.00 H ATOM 110 1HD LYS A 6 7.191 7.330 -4.585 1.00 0.00 H ATOM 111 2HD LYS A 6 6.458 6.410 -5.907 1.00 0.00 H ATOM 112 1HE LYS A 6 6.842 8.297 -7.448 1.00 0.00 H ATOM 113 2HE LYS A 6 7.544 9.242 -6.132 1.00 0.00 H ATOM 114 1HZ LYS A 6 9.226 8.207 -7.470 1.00 0.00 H ATOM 115 2HZ LYS A 6 9.271 7.587 -5.942 1.00 0.00 H ATOM 116 3HZ LYS A 6 8.616 6.704 -7.172 1.00 0.00 H ATOM 117 N LEU A 7 1.673 6.963 -5.535 1.00 0.00 N ATOM 118 CA LEU A 7 0.873 7.016 -6.754 1.00 0.00 C ATOM 119 C LEU A 7 -0.342 7.917 -6.577 1.00 0.00 C ATOM 120 O LEU A 7 -0.689 8.689 -7.470 1.00 0.00 O ATOM 121 CB LEU A 7 0.418 5.606 -7.151 1.00 0.00 C ATOM 122 CG LEU A 7 1.529 4.653 -7.609 1.00 0.00 C ATOM 123 CD1 LEU A 7 0.963 3.247 -7.761 1.00 0.00 C ATOM 124 CD2 LEU A 7 2.116 5.151 -8.922 1.00 0.00 C ATOM 125 H LEU A 7 1.773 6.083 -5.051 1.00 0.00 H ATOM 126 HA LEU A 7 1.493 7.417 -7.557 1.00 0.00 H ATOM 127 1HB LEU A 7 -0.079 5.148 -6.297 1.00 0.00 H ATOM 128 2HB LEU A 7 -0.303 5.689 -7.963 1.00 0.00 H ATOM 129 HG LEU A 7 2.313 4.616 -6.852 1.00 0.00 H ATOM 130 1HD1 LEU A 7 1.753 2.570 -8.086 1.00 0.00 H ATOM 131 2HD1 LEU A 7 0.568 2.909 -6.803 1.00 0.00 H ATOM 132 3HD1 LEU A 7 0.164 3.255 -8.501 1.00 0.00 H ATOM 133 1HD2 LEU A 7 2.906 4.473 -9.247 1.00 0.00 H ATOM 134 2HD2 LEU A 7 1.333 5.186 -9.680 1.00 0.00 H ATOM 135 3HD2 LEU A 7 2.529 6.149 -8.780 1.00 0.00 H ATOM 136 N GLU A 8 -0.984 7.815 -5.418 1.00 0.00 N ATOM 137 CA GLU A 8 -2.116 8.674 -5.091 1.00 0.00 C ATOM 138 C GLU A 8 -1.739 10.146 -5.200 1.00 0.00 C ATOM 139 O GLU A 8 -2.411 10.920 -5.881 1.00 0.00 O ATOM 140 CB GLU A 8 -2.626 8.371 -3.681 1.00 0.00 C ATOM 141 CG GLU A 8 -3.805 9.227 -3.241 1.00 0.00 C ATOM 142 CD GLU A 8 -4.269 8.911 -1.846 1.00 0.00 C ATOM 143 OE1 GLU A 8 -3.792 7.955 -1.284 1.00 0.00 O ATOM 144 OE2 GLU A 8 -5.102 9.628 -1.342 1.00 0.00 O ATOM 145 H GLU A 8 -0.682 7.123 -4.747 1.00 0.00 H ATOM 146 HA GLU A 8 -2.923 8.467 -5.795 1.00 0.00 H ATOM 147 1HB GLU A 8 -2.930 7.326 -3.620 1.00 0.00 H ATOM 148 2HB GLU A 8 -1.819 8.519 -2.963 1.00 0.00 H ATOM 149 1HG GLU A 8 -3.516 10.277 -3.286 1.00 0.00 H ATOM 150 2HG GLU A 8 -4.629 9.076 -3.936 1.00 0.00 H ATOM 151 N GLU A 9 -0.660 10.527 -4.524 1.00 0.00 N ATOM 152 CA GLU A 9 -0.146 11.889 -4.605 1.00 0.00 C ATOM 153 C GLU A 9 0.090 12.303 -6.052 1.00 0.00 C ATOM 154 O GLU A 9 -0.324 13.383 -6.474 1.00 0.00 O ATOM 155 CB GLU A 9 1.156 12.016 -3.810 1.00 0.00 C ATOM 156 CG GLU A 9 1.785 13.401 -3.852 1.00 0.00 C ATOM 157 CD GLU A 9 3.073 13.482 -3.081 1.00 0.00 C ATOM 158 OE1 GLU A 9 3.331 12.600 -2.298 1.00 0.00 O ATOM 159 OE2 GLU A 9 3.801 14.427 -3.276 1.00 0.00 O ATOM 160 H GLU A 9 -0.183 9.855 -3.939 1.00 0.00 H ATOM 161 HA GLU A 9 -0.880 12.563 -4.163 1.00 0.00 H ATOM 162 1HB GLU A 9 0.970 11.764 -2.766 1.00 0.00 H ATOM 163 2HB GLU A 9 1.887 11.305 -4.193 1.00 0.00 H ATOM 164 1HG GLU A 9 1.978 13.670 -4.890 1.00 0.00 H ATOM 165 2HG GLU A 9 1.078 14.123 -3.444 1.00 0.00 H ATOM 166 N ALA A 10 0.757 11.439 -6.809 1.00 0.00 N ATOM 167 CA ALA A 10 1.088 11.733 -8.198 1.00 0.00 C ATOM 168 C ALA A 10 -0.168 11.986 -9.022 1.00 0.00 C ATOM 169 O ALA A 10 -0.229 12.936 -9.802 1.00 0.00 O ATOM 170 CB ALA A 10 1.897 10.595 -8.802 1.00 0.00 C ATOM 171 H ALA A 10 1.042 10.555 -6.412 1.00 0.00 H ATOM 172 HA ALA A 10 1.709 12.629 -8.223 1.00 0.00 H ATOM 173 1HB ALA A 10 2.137 10.829 -9.839 1.00 0.00 H ATOM 174 2HB ALA A 10 2.820 10.464 -8.237 1.00 0.00 H ATOM 175 3HB ALA A 10 1.316 9.675 -8.764 1.00 0.00 H ATOM 176 N LEU A 11 -1.168 11.129 -8.845 1.00 0.00 N ATOM 177 CA LEU A 11 -2.406 11.228 -9.609 1.00 0.00 C ATOM 178 C LEU A 11 -3.119 12.546 -9.335 1.00 0.00 C ATOM 179 O LEU A 11 -3.695 13.151 -10.239 1.00 0.00 O ATOM 180 CB LEU A 11 -3.334 10.056 -9.267 1.00 0.00 C ATOM 181 CG LEU A 11 -2.880 8.679 -9.768 1.00 0.00 C ATOM 182 CD1 LEU A 11 -3.807 7.606 -9.215 1.00 0.00 C ATOM 183 CD2 LEU A 11 -2.876 8.668 -11.290 1.00 0.00 C ATOM 184 H LEU A 11 -1.068 10.391 -8.163 1.00 0.00 H ATOM 185 HA LEU A 11 -2.162 11.177 -10.671 1.00 0.00 H ATOM 186 1HB LEU A 11 -3.436 9.998 -8.185 1.00 0.00 H ATOM 187 2HB LEU A 11 -4.317 10.256 -9.694 1.00 0.00 H ATOM 188 HG LEU A 11 -1.874 8.472 -9.401 1.00 0.00 H ATOM 189 1HD1 LEU A 11 -3.484 6.627 -9.571 1.00 0.00 H ATOM 190 2HD1 LEU A 11 -3.775 7.623 -8.126 1.00 0.00 H ATOM 191 3HD1 LEU A 11 -4.825 7.796 -9.553 1.00 0.00 H ATOM 192 1HD2 LEU A 11 -2.552 7.690 -11.646 1.00 0.00 H ATOM 193 2HD2 LEU A 11 -3.881 8.873 -11.658 1.00 0.00 H ATOM 194 3HD2 LEU A 11 -2.192 9.433 -11.658 1.00 0.00 H ATOM 195 N LYS A 12 -3.077 12.986 -8.082 1.00 0.00 N ATOM 196 CA LYS A 12 -3.703 14.243 -7.689 1.00 0.00 C ATOM 197 C LYS A 12 -2.957 15.436 -8.273 1.00 0.00 C ATOM 198 O LYS A 12 -3.566 16.436 -8.653 1.00 0.00 O ATOM 199 CB LYS A 12 -3.767 14.357 -6.166 1.00 0.00 C ATOM 200 CG LYS A 12 -4.756 13.406 -5.504 1.00 0.00 C ATOM 201 CD LYS A 12 -4.718 13.536 -3.989 1.00 0.00 C ATOM 202 CE LYS A 12 -5.728 12.609 -3.328 1.00 0.00 C ATOM 203 NZ LYS A 12 -5.640 12.658 -1.844 1.00 0.00 N ATOM 204 H LYS A 12 -2.598 12.436 -7.383 1.00 0.00 H ATOM 205 HA LYS A 12 -4.726 14.252 -8.066 1.00 0.00 H ATOM 206 1HB LYS A 12 -2.781 14.160 -5.744 1.00 0.00 H ATOM 207 2HB LYS A 12 -4.044 15.374 -5.888 1.00 0.00 H ATOM 208 1HG LYS A 12 -5.765 13.628 -5.855 1.00 0.00 H ATOM 209 2HG LYS A 12 -4.513 12.380 -5.779 1.00 0.00 H ATOM 210 1HD LYS A 12 -3.720 13.288 -3.627 1.00 0.00 H ATOM 211 2HD LYS A 12 -4.944 14.564 -3.706 1.00 0.00 H ATOM 212 1HE LYS A 12 -6.735 12.894 -3.630 1.00 0.00 H ATOM 213 2HE LYS A 12 -5.551 11.585 -3.656 1.00 0.00 H ATOM 214 1HZ LYS A 12 -6.324 12.030 -1.444 1.00 0.00 H ATOM 215 2HZ LYS A 12 -4.715 12.376 -1.551 1.00 0.00 H ATOM 216 3HZ LYS A 12 -5.821 13.599 -1.526 1.00 0.00 H ATOM 217 N LYS A 13 -1.635 15.324 -8.342 1.00 0.00 N ATOM 218 CA LYS A 13 -0.801 16.402 -8.861 1.00 0.00 C ATOM 219 C LYS A 13 -0.689 16.330 -10.378 1.00 0.00 C ATOM 220 O LYS A 13 -0.371 17.322 -11.034 1.00 0.00 O ATOM 221 CB LYS A 13 0.591 16.354 -8.228 1.00 0.00 C ATOM 222 CG LYS A 13 0.626 16.742 -6.756 1.00 0.00 C ATOM 223 CD LYS A 13 2.036 16.646 -6.193 1.00 0.00 C ATOM 224 CE LYS A 13 2.109 17.212 -4.782 1.00 0.00 C ATOM 225 NZ LYS A 13 3.455 17.023 -4.176 1.00 0.00 N ATOM 226 H LYS A 13 -1.196 14.471 -8.027 1.00 0.00 H ATOM 227 HA LYS A 13 -1.257 17.354 -8.588 1.00 0.00 H ATOM 228 1HB LYS A 13 0.998 15.347 -8.319 1.00 0.00 H ATOM 229 2HB LYS A 13 1.258 17.027 -8.767 1.00 0.00 H ATOM 230 1HG LYS A 13 0.265 17.764 -6.639 1.00 0.00 H ATOM 231 2HG LYS A 13 -0.028 16.079 -6.190 1.00 0.00 H ATOM 232 1HD LYS A 13 2.351 15.602 -6.174 1.00 0.00 H ATOM 233 2HD LYS A 13 2.721 17.203 -6.832 1.00 0.00 H ATOM 234 1HE LYS A 13 1.880 18.276 -4.804 1.00 0.00 H ATOM 235 2HE LYS A 13 1.369 16.717 -4.153 1.00 0.00 H ATOM 236 1HZ LYS A 13 3.462 17.410 -3.243 1.00 0.00 H ATOM 237 2HZ LYS A 13 3.670 16.036 -4.133 1.00 0.00 H ATOM 238 3HZ LYS A 13 4.148 17.493 -4.740 1.00 0.00 H ATOM 239 N GLY A 14 -0.953 15.151 -10.931 1.00 0.00 N ATOM 240 CA GLY A 14 -0.837 14.936 -12.368 1.00 0.00 C ATOM 241 C GLY A 14 0.592 14.579 -12.758 1.00 0.00 C ATOM 242 O GLY A 14 1.031 14.866 -13.872 1.00 0.00 O ATOM 243 H GLY A 14 -1.241 14.384 -10.340 1.00 0.00 H ATOM 244 1HA GLY A 14 -1.512 14.135 -12.672 1.00 0.00 H ATOM 245 2HA GLY A 14 -1.149 15.835 -12.897 1.00 0.00 H ATOM 246 N GLU A 15 1.313 13.953 -11.835 1.00 0.00 N ATOM 247 CA GLU A 15 2.700 13.571 -12.075 1.00 0.00 C ATOM 248 C GLU A 15 2.802 12.116 -12.513 1.00 0.00 C ATOM 249 O GLU A 15 1.933 11.301 -12.202 1.00 0.00 O ATOM 250 CB GLU A 15 3.540 13.795 -10.816 1.00 0.00 C ATOM 251 CG GLU A 15 3.626 15.247 -10.367 1.00 0.00 C ATOM 252 CD GLU A 15 4.417 15.422 -9.100 1.00 0.00 C ATOM 253 OE1 GLU A 15 4.909 14.445 -8.590 1.00 0.00 O ATOM 254 OE2 GLU A 15 4.529 16.535 -8.643 1.00 0.00 O ATOM 255 H GLU A 15 0.890 13.736 -10.944 1.00 0.00 H ATOM 256 HA GLU A 15 3.101 14.204 -12.867 1.00 0.00 H ATOM 257 1HB GLU A 15 3.124 13.214 -9.992 1.00 0.00 H ATOM 258 2HB GLU A 15 4.555 13.438 -10.988 1.00 0.00 H ATOM 259 1HG GLU A 15 4.092 15.834 -11.157 1.00 0.00 H ATOM 260 2HG GLU A 15 2.617 15.629 -10.216 1.00 0.00 H ATOM 261 N GLU A 16 3.869 11.795 -13.238 1.00 0.00 N ATOM 262 CA GLU A 16 4.118 10.425 -13.670 1.00 0.00 C ATOM 263 C GLU A 16 5.077 9.715 -12.724 1.00 0.00 C ATOM 264 O GLU A 16 5.934 10.346 -12.104 1.00 0.00 O ATOM 265 CB GLU A 16 4.683 10.409 -15.092 1.00 0.00 C ATOM 266 CG GLU A 16 3.734 10.949 -16.152 1.00 0.00 C ATOM 267 CD GLU A 16 4.302 10.869 -17.542 1.00 0.00 C ATOM 268 OE1 GLU A 16 5.430 10.461 -17.679 1.00 0.00 O ATOM 269 OE2 GLU A 16 3.606 11.215 -18.467 1.00 0.00 O ATOM 270 H GLU A 16 4.524 12.519 -13.495 1.00 0.00 H ATOM 271 HA GLU A 16 3.169 9.887 -13.676 1.00 0.00 H ATOM 272 1HB GLU A 16 5.597 11.002 -15.127 1.00 0.00 H ATOM 273 2HB GLU A 16 4.945 9.387 -15.367 1.00 0.00 H ATOM 274 1HG GLU A 16 2.805 10.380 -16.118 1.00 0.00 H ATOM 275 2HG GLU A 16 3.500 11.988 -15.920 1.00 0.00 H ATOM 276 N VAL A 17 4.928 8.399 -12.616 1.00 0.00 N ATOM 277 CA VAL A 17 5.739 7.609 -11.698 1.00 0.00 C ATOM 278 C VAL A 17 6.352 6.405 -12.400 1.00 0.00 C ATOM 279 O VAL A 17 5.641 5.502 -12.842 1.00 0.00 O ATOM 280 CB VAL A 17 4.884 7.126 -10.511 1.00 0.00 C ATOM 281 CG1 VAL A 17 5.708 6.243 -9.585 1.00 0.00 C ATOM 282 CG2 VAL A 17 4.322 8.322 -9.757 1.00 0.00 C ATOM 283 H VAL A 17 4.236 7.934 -13.186 1.00 0.00 H ATOM 284 HA VAL A 17 6.543 8.239 -11.316 1.00 0.00 H ATOM 285 HB VAL A 17 4.064 6.516 -10.890 1.00 0.00 H ATOM 286 1HG1 VAL A 17 5.088 5.911 -8.752 1.00 0.00 H ATOM 287 2HG1 VAL A 17 6.069 5.375 -10.137 1.00 0.00 H ATOM 288 3HG1 VAL A 17 6.556 6.810 -9.202 1.00 0.00 H ATOM 289 1HG2 VAL A 17 3.718 7.973 -8.920 1.00 0.00 H ATOM 290 2HG2 VAL A 17 5.143 8.934 -9.383 1.00 0.00 H ATOM 291 3HG2 VAL A 17 3.702 8.916 -10.428 1.00 0.00 H ATOM 292 N ARG A 18 7.677 6.397 -12.501 1.00 0.00 N ATOM 293 CA ARG A 18 8.398 5.250 -13.043 1.00 0.00 C ATOM 294 C ARG A 18 9.167 4.518 -11.951 1.00 0.00 C ATOM 295 O ARG A 18 10.097 5.066 -11.359 1.00 0.00 O ATOM 296 CB ARG A 18 9.364 5.691 -14.132 1.00 0.00 C ATOM 297 CG ARG A 18 10.137 4.563 -14.796 1.00 0.00 C ATOM 298 CD ARG A 18 11.031 5.067 -15.870 1.00 0.00 C ATOM 299 NE ARG A 18 11.818 3.999 -16.467 1.00 0.00 N ATOM 300 CZ ARG A 18 12.758 4.180 -17.415 1.00 0.00 C ATOM 301 NH1 ARG A 18 13.016 5.389 -17.862 1.00 0.00 N ATOM 302 NH2 ARG A 18 13.420 3.142 -17.895 1.00 0.00 N ATOM 303 H ARG A 18 8.199 7.206 -12.195 1.00 0.00 H ATOM 304 HA ARG A 18 7.674 4.563 -13.482 1.00 0.00 H ATOM 305 1HB ARG A 18 8.817 6.219 -14.912 1.00 0.00 H ATOM 306 2HB ARG A 18 10.091 6.387 -13.713 1.00 0.00 H ATOM 307 1HG ARG A 18 10.749 4.053 -14.052 1.00 0.00 H ATOM 308 2HG ARG A 18 9.437 3.853 -15.238 1.00 0.00 H ATOM 309 1HD ARG A 18 10.432 5.529 -16.655 1.00 0.00 H ATOM 310 2HD ARG A 18 11.717 5.805 -15.456 1.00 0.00 H ATOM 311 HE ARG A 18 11.647 3.055 -16.148 1.00 0.00 H ATOM 312 1HH1 ARG A 18 12.510 6.182 -17.496 1.00 0.00 H ATOM 313 2HH1 ARG A 18 13.720 5.524 -18.573 1.00 0.00 H ATOM 314 1HH2 ARG A 18 13.221 2.212 -17.551 1.00 0.00 H ATOM 315 2HH2 ARG A 18 14.124 3.277 -18.605 1.00 0.00 H ATOM 316 N VAL A 19 8.774 3.276 -11.689 1.00 0.00 N ATOM 317 CA VAL A 19 9.369 2.495 -10.611 1.00 0.00 C ATOM 318 C VAL A 19 9.632 1.061 -11.050 1.00 0.00 C ATOM 319 O VAL A 19 9.105 0.605 -12.064 1.00 0.00 O ATOM 320 CB VAL A 19 8.443 2.491 -9.380 1.00 0.00 C ATOM 321 CG1 VAL A 19 8.317 3.894 -8.804 1.00 0.00 C ATOM 322 CG2 VAL A 19 7.078 1.939 -9.761 1.00 0.00 C ATOM 323 H VAL A 19 8.044 2.862 -12.251 1.00 0.00 H ATOM 324 HA VAL A 19 10.318 2.956 -10.334 1.00 0.00 H ATOM 325 HB VAL A 19 8.886 1.865 -8.606 1.00 0.00 H ATOM 326 1HG1 VAL A 19 7.659 3.872 -7.935 1.00 0.00 H ATOM 327 2HG1 VAL A 19 9.301 4.254 -8.505 1.00 0.00 H ATOM 328 3HG1 VAL A 19 7.899 4.560 -9.558 1.00 0.00 H ATOM 329 1HG2 VAL A 19 6.429 1.939 -8.886 1.00 0.00 H ATOM 330 2HG2 VAL A 19 6.638 2.563 -10.540 1.00 0.00 H ATOM 331 3HG2 VAL A 19 7.188 0.920 -10.132 1.00 0.00 H ATOM 332 N LYS A 20 10.451 0.352 -10.280 1.00 0.00 N ATOM 333 CA LYS A 20 10.712 -1.059 -10.534 1.00 0.00 C ATOM 334 C LYS A 20 10.643 -1.873 -9.248 1.00 0.00 C ATOM 335 O LYS A 20 11.241 -1.506 -8.237 1.00 0.00 O ATOM 336 CB LYS A 20 12.078 -1.241 -11.197 1.00 0.00 C ATOM 337 CG LYS A 20 12.405 -2.677 -11.583 1.00 0.00 C ATOM 338 CD LYS A 20 13.716 -2.759 -12.351 1.00 0.00 C ATOM 339 CE LYS A 20 14.020 -4.187 -12.778 1.00 0.00 C ATOM 340 NZ LYS A 20 15.307 -4.285 -13.518 1.00 0.00 N ATOM 341 H LYS A 20 10.904 0.803 -9.498 1.00 0.00 H ATOM 342 HA LYS A 20 9.955 -1.432 -11.225 1.00 0.00 H ATOM 343 1HB LYS A 20 12.128 -0.632 -12.101 1.00 0.00 H ATOM 344 2HB LYS A 20 12.860 -0.889 -10.523 1.00 0.00 H ATOM 345 1HG LYS A 20 12.483 -3.287 -10.682 1.00 0.00 H ATOM 346 2HG LYS A 20 11.604 -3.078 -12.203 1.00 0.00 H ATOM 347 1HD LYS A 20 13.658 -2.127 -13.238 1.00 0.00 H ATOM 348 2HD LYS A 20 14.529 -2.398 -11.722 1.00 0.00 H ATOM 349 1HE LYS A 20 14.071 -4.827 -11.899 1.00 0.00 H ATOM 350 2HE LYS A 20 13.218 -4.553 -13.420 1.00 0.00 H ATOM 351 1HZ LYS A 20 15.471 -5.245 -13.784 1.00 0.00 H ATOM 352 2HZ LYS A 20 15.264 -3.709 -14.348 1.00 0.00 H ATOM 353 3HZ LYS A 20 16.061 -3.966 -12.927 1.00 0.00 H ATOM 354 N PHE A 21 9.908 -2.979 -9.292 1.00 0.00 N ATOM 355 CA PHE A 21 9.670 -3.789 -8.104 1.00 0.00 C ATOM 356 C PHE A 21 9.287 -5.216 -8.476 1.00 0.00 C ATOM 357 O PHE A 21 8.653 -5.450 -9.505 1.00 0.00 O ATOM 358 CB PHE A 21 8.566 -3.167 -7.246 1.00 0.00 C ATOM 359 CG PHE A 21 7.288 -2.913 -7.994 1.00 0.00 C ATOM 360 CD1 PHE A 21 6.424 -3.956 -8.293 1.00 0.00 C ATOM 361 CD2 PHE A 21 6.948 -1.632 -8.401 1.00 0.00 C ATOM 362 CE1 PHE A 21 5.248 -3.723 -8.982 1.00 0.00 C ATOM 363 CE2 PHE A 21 5.773 -1.396 -9.088 1.00 0.00 C ATOM 364 CZ PHE A 21 4.922 -2.443 -9.379 1.00 0.00 C ATOM 365 H PHE A 21 9.505 -3.267 -10.173 1.00 0.00 H ATOM 366 HA PHE A 21 10.586 -3.816 -7.513 1.00 0.00 H ATOM 367 1HB PHE A 21 8.343 -3.825 -6.407 1.00 0.00 H ATOM 368 2HB PHE A 21 8.914 -2.220 -6.836 1.00 0.00 H ATOM 369 HD1 PHE A 21 6.680 -4.967 -7.978 1.00 0.00 H ATOM 370 HD2 PHE A 21 7.621 -0.804 -8.172 1.00 0.00 H ATOM 371 HE1 PHE A 21 4.578 -4.551 -9.210 1.00 0.00 H ATOM 372 HE2 PHE A 21 5.518 -0.384 -9.402 1.00 0.00 H ATOM 373 HZ PHE A 21 3.997 -2.259 -9.922 1.00 0.00 H ATOM 374 N ASN A 22 9.676 -6.166 -7.634 1.00 0.00 N ATOM 375 CA ASN A 22 9.372 -7.572 -7.872 1.00 0.00 C ATOM 376 C ASN A 22 9.891 -8.026 -9.230 1.00 0.00 C ATOM 377 O ASN A 22 9.349 -8.951 -9.836 1.00 0.00 O ATOM 378 CB ASN A 22 7.879 -7.822 -7.761 1.00 0.00 C ATOM 379 CG ASN A 22 7.351 -7.558 -6.378 1.00 0.00 C ATOM 380 OD1 ASN A 22 8.114 -7.512 -5.407 1.00 0.00 O ATOM 381 ND2 ASN A 22 6.058 -7.383 -6.271 1.00 0.00 N ATOM 382 H ASN A 22 10.196 -5.909 -6.808 1.00 0.00 H ATOM 383 HA ASN A 22 9.882 -8.170 -7.115 1.00 0.00 H ATOM 384 1HB ASN A 22 7.349 -7.182 -8.468 1.00 0.00 H ATOM 385 2HB ASN A 22 7.662 -8.856 -8.029 1.00 0.00 H ATOM 386 1HD2 ASN A 22 5.650 -7.204 -5.375 1.00 0.00 H ATOM 387 2HD2 ASN A 22 5.478 -7.428 -7.083 1.00 0.00 H ATOM 388 N GLY A 23 10.945 -7.370 -9.704 1.00 0.00 N ATOM 389 CA GLY A 23 11.523 -7.686 -11.005 1.00 0.00 C ATOM 390 C GLY A 23 10.703 -7.075 -12.135 1.00 0.00 C ATOM 391 O GLY A 23 10.954 -7.340 -13.310 1.00 0.00 O ATOM 392 H GLY A 23 11.357 -6.634 -9.149 1.00 0.00 H ATOM 393 1HA GLY A 23 12.546 -7.312 -11.050 1.00 0.00 H ATOM 394 2HA GLY A 23 11.570 -8.767 -11.129 1.00 0.00 H ATOM 395 N ILE A 24 9.722 -6.255 -11.771 1.00 0.00 N ATOM 396 CA ILE A 24 8.816 -5.665 -12.748 1.00 0.00 C ATOM 397 C ILE A 24 8.983 -4.152 -12.810 1.00 0.00 C ATOM 398 O ILE A 24 8.724 -3.448 -11.834 1.00 0.00 O ATOM 399 CB ILE A 24 7.352 -6.006 -12.415 1.00 0.00 C ATOM 400 CG1 ILE A 24 7.148 -7.524 -12.398 1.00 0.00 C ATOM 401 CG2 ILE A 24 6.412 -5.352 -13.416 1.00 0.00 C ATOM 402 CD1 ILE A 24 5.817 -7.955 -11.826 1.00 0.00 C ATOM 403 H ILE A 24 9.602 -6.036 -10.792 1.00 0.00 H ATOM 404 HA ILE A 24 9.044 -6.083 -13.729 1.00 0.00 H ATOM 405 HB ILE A 24 7.112 -5.645 -11.416 1.00 0.00 H ATOM 406 1HG1 ILE A 24 7.226 -7.913 -13.413 1.00 0.00 H ATOM 407 2HG1 ILE A 24 7.939 -7.990 -11.809 1.00 0.00 H ATOM 408 1HG2 ILE A 24 5.382 -5.604 -13.167 1.00 0.00 H ATOM 409 2HG2 ILE A 24 6.540 -4.271 -13.381 1.00 0.00 H ATOM 410 3HG2 ILE A 24 6.641 -5.712 -14.420 1.00 0.00 H ATOM 411 1HD1 ILE A 24 5.748 -9.043 -11.846 1.00 0.00 H ATOM 412 2HD1 ILE A 24 5.733 -7.605 -10.796 1.00 0.00 H ATOM 413 3HD1 ILE A 24 5.011 -7.529 -12.421 1.00 0.00 H ATOM 414 N GLU A 25 9.417 -3.657 -13.964 1.00 0.00 N ATOM 415 CA GLU A 25 9.462 -2.221 -14.214 1.00 0.00 C ATOM 416 C GLU A 25 8.169 -1.733 -14.856 1.00 0.00 C ATOM 417 O GLU A 25 7.693 -2.312 -15.832 1.00 0.00 O ATOM 418 CB GLU A 25 10.651 -1.872 -15.111 1.00 0.00 C ATOM 419 CG GLU A 25 10.849 -0.381 -15.342 1.00 0.00 C ATOM 420 CD GLU A 25 12.054 -0.074 -16.187 1.00 0.00 C ATOM 421 OE1 GLU A 25 12.741 -0.992 -16.563 1.00 0.00 O ATOM 422 OE2 GLU A 25 12.287 1.081 -16.457 1.00 0.00 O ATOM 423 H GLU A 25 9.724 -4.292 -14.687 1.00 0.00 H ATOM 424 HA GLU A 25 9.594 -1.708 -13.261 1.00 0.00 H ATOM 425 1HB GLU A 25 11.567 -2.267 -14.671 1.00 0.00 H ATOM 426 2HB GLU A 25 10.525 -2.347 -16.084 1.00 0.00 H ATOM 427 1HG GLU A 25 9.963 0.021 -15.833 1.00 0.00 H ATOM 428 2HG GLU A 25 10.952 0.115 -14.377 1.00 0.00 H ATOM 429 N ILE A 26 7.606 -0.665 -14.301 1.00 0.00 N ATOM 430 CA ILE A 26 6.338 -0.130 -14.784 1.00 0.00 C ATOM 431 C ILE A 26 6.333 1.393 -14.745 1.00 0.00 C ATOM 432 O ILE A 26 6.754 1.999 -13.760 1.00 0.00 O ATOM 433 CB ILE A 26 5.161 -0.670 -13.951 1.00 0.00 C ATOM 434 CG1 ILE A 26 3.832 -0.152 -14.507 1.00 0.00 C ATOM 435 CG2 ILE A 26 5.320 -0.278 -12.490 1.00 0.00 C ATOM 436 CD1 ILE A 26 2.621 -0.881 -13.972 1.00 0.00 C ATOM 437 H ILE A 26 8.067 -0.213 -13.525 1.00 0.00 H ATOM 438 HA ILE A 26 6.197 -0.454 -15.816 1.00 0.00 H ATOM 439 HB ILE A 26 5.131 -1.757 -14.025 1.00 0.00 H ATOM 440 1HG1 ILE A 26 3.726 0.906 -14.270 1.00 0.00 H ATOM 441 2HG1 ILE A 26 3.831 -0.244 -15.594 1.00 0.00 H ATOM 442 1HG2 ILE A 26 4.479 -0.667 -11.916 1.00 0.00 H ATOM 443 2HG2 ILE A 26 6.248 -0.694 -12.101 1.00 0.00 H ATOM 444 3HG2 ILE A 26 5.345 0.808 -12.405 1.00 0.00 H ATOM 445 1HD1 ILE A 26 1.717 -0.457 -14.412 1.00 0.00 H ATOM 446 2HD1 ILE A 26 2.689 -1.938 -14.230 1.00 0.00 H ATOM 447 3HD1 ILE A 26 2.581 -0.773 -12.889 1.00 0.00 H ATOM 448 N ARG A 27 5.854 2.005 -15.822 1.00 0.00 N ATOM 449 CA ARG A 27 5.682 3.452 -15.868 1.00 0.00 C ATOM 450 C ARG A 27 4.213 3.836 -15.742 1.00 0.00 C ATOM 451 O ARG A 27 3.375 3.391 -16.526 1.00 0.00 O ATOM 452 CB ARG A 27 6.241 4.018 -17.165 1.00 0.00 C ATOM 453 CG ARG A 27 6.131 5.528 -17.304 1.00 0.00 C ATOM 454 CD ARG A 27 6.732 6.007 -18.576 1.00 0.00 C ATOM 455 NE ARG A 27 6.552 7.439 -18.755 1.00 0.00 N ATOM 456 CZ ARG A 27 6.907 8.122 -19.860 1.00 0.00 C ATOM 457 NH1 ARG A 27 7.458 7.492 -20.874 1.00 0.00 N ATOM 458 NH2 ARG A 27 6.700 9.426 -19.926 1.00 0.00 N ATOM 459 H ARG A 27 5.602 1.454 -16.631 1.00 0.00 H ATOM 460 HA ARG A 27 6.231 3.892 -15.035 1.00 0.00 H ATOM 461 1HB ARG A 27 7.294 3.754 -17.252 1.00 0.00 H ATOM 462 2HB ARG A 27 5.721 3.569 -18.012 1.00 0.00 H ATOM 463 1HG ARG A 27 5.081 5.819 -17.290 1.00 0.00 H ATOM 464 2HG ARG A 27 6.653 6.009 -16.476 1.00 0.00 H ATOM 465 1HD ARG A 27 7.801 5.795 -18.575 1.00 0.00 H ATOM 466 2HD ARG A 27 6.261 5.497 -19.415 1.00 0.00 H ATOM 467 HE ARG A 27 6.131 7.958 -17.996 1.00 0.00 H ATOM 468 1HH1 ARG A 27 7.615 6.495 -20.824 1.00 0.00 H ATOM 469 2HH1 ARG A 27 7.724 8.004 -21.702 1.00 0.00 H ATOM 470 1HH2 ARG A 27 6.276 9.910 -19.147 1.00 0.00 H ATOM 471 2HH2 ARG A 27 6.966 9.937 -20.754 1.00 0.00 H ATOM 472 N ILE A 28 3.907 4.666 -14.750 1.00 0.00 N ATOM 473 CA ILE A 28 2.530 5.064 -14.481 1.00 0.00 C ATOM 474 C ILE A 28 2.222 6.426 -15.088 1.00 0.00 C ATOM 475 O ILE A 28 2.840 7.429 -14.731 1.00 0.00 O ATOM 476 CB ILE A 28 2.254 5.101 -12.967 1.00 0.00 C ATOM 477 CG1 ILE A 28 2.336 3.692 -12.374 1.00 0.00 C ATOM 478 CG2 ILE A 28 0.894 5.721 -12.689 1.00 0.00 C ATOM 479 CD1 ILE A 28 3.738 3.267 -12.001 1.00 0.00 C ATOM 480 H ILE A 28 4.647 5.030 -14.167 1.00 0.00 H ATOM 481 HA ILE A 28 1.863 4.324 -14.926 1.00 0.00 H ATOM 482 HB ILE A 28 3.022 5.696 -12.472 1.00 0.00 H ATOM 483 1HG1 ILE A 28 1.713 3.636 -11.482 1.00 0.00 H ATOM 484 2HG1 ILE A 28 1.942 2.972 -13.092 1.00 0.00 H ATOM 485 1HG2 ILE A 28 0.715 5.739 -11.614 1.00 0.00 H ATOM 486 2HG2 ILE A 28 0.871 6.738 -13.078 1.00 0.00 H ATOM 487 3HG2 ILE A 28 0.118 5.130 -13.176 1.00 0.00 H ATOM 488 1HD1 ILE A 28 3.714 2.258 -11.589 1.00 0.00 H ATOM 489 2HD1 ILE A 28 4.371 3.281 -12.889 1.00 0.00 H ATOM 490 3HD1 ILE A 28 4.140 3.953 -11.257 1.00 0.00 H ATOM 491 N THR A 29 1.263 6.456 -16.008 1.00 0.00 N ATOM 492 CA THR A 29 0.831 7.705 -16.624 1.00 0.00 C ATOM 493 C THR A 29 -0.666 7.918 -16.445 1.00 0.00 C ATOM 494 O THR A 29 -1.239 8.861 -16.991 1.00 0.00 O ATOM 495 CB THR A 29 1.182 7.733 -18.123 1.00 0.00 C ATOM 496 OG1 THR A 29 0.499 6.669 -18.797 1.00 0.00 O ATOM 497 CG2 THR A 29 2.681 7.575 -18.323 1.00 0.00 C ATOM 498 H THR A 29 0.822 5.591 -16.287 1.00 0.00 H ATOM 499 HA THR A 29 1.362 8.529 -16.145 1.00 0.00 H ATOM 500 HB THR A 29 0.862 8.682 -18.553 1.00 0.00 H ATOM 501 HG1 THR A 29 1.076 6.290 -19.464 1.00 0.00 H ATOM 502 1HG2 THR A 29 2.911 7.598 -19.388 1.00 0.00 H ATOM 503 2HG2 THR A 29 3.204 8.390 -17.821 1.00 0.00 H ATOM 504 3HG2 THR A 29 3.006 6.624 -17.903 1.00 0.00 H ATOM 505 N SER A 30 -1.297 7.037 -15.676 1.00 0.00 N ATOM 506 CA SER A 30 -2.741 7.083 -15.483 1.00 0.00 C ATOM 507 C SER A 30 -3.148 6.376 -14.196 1.00 0.00 C ATOM 508 O SER A 30 -2.364 5.627 -13.614 1.00 0.00 O ATOM 509 CB SER A 30 -3.446 6.446 -16.665 1.00 0.00 C ATOM 510 OG SER A 30 -3.219 5.064 -16.700 1.00 0.00 O ATOM 511 H SER A 30 -0.761 6.316 -15.213 1.00 0.00 H ATOM 512 HA SER A 30 -3.049 8.127 -15.421 1.00 0.00 H ATOM 513 1HB SER A 30 -4.517 6.640 -16.597 1.00 0.00 H ATOM 514 2HB SER A 30 -3.090 6.900 -17.589 1.00 0.00 H ATOM 515 HG SER A 30 -3.043 4.848 -17.619 1.00 0.00 H ATOM 516 N GLU A 31 -4.378 6.619 -13.758 1.00 0.00 N ATOM 517 CA GLU A 31 -4.927 5.930 -12.596 1.00 0.00 C ATOM 518 C GLU A 31 -4.920 4.420 -12.796 1.00 0.00 C ATOM 519 O GLU A 31 -4.548 3.667 -11.897 1.00 0.00 O ATOM 520 CB GLU A 31 -6.353 6.410 -12.316 1.00 0.00 C ATOM 521 CG GLU A 31 -7.018 5.741 -11.121 1.00 0.00 C ATOM 522 CD GLU A 31 -8.423 6.223 -10.888 1.00 0.00 C ATOM 523 OE1 GLU A 31 -8.755 7.281 -11.366 1.00 0.00 O ATOM 524 OE2 GLU A 31 -9.166 5.531 -10.231 1.00 0.00 O ATOM 525 H GLU A 31 -4.948 7.298 -14.241 1.00 0.00 H ATOM 526 HA GLU A 31 -4.312 6.171 -11.728 1.00 0.00 H ATOM 527 1HB GLU A 31 -6.346 7.485 -12.135 1.00 0.00 H ATOM 528 2HB GLU A 31 -6.977 6.229 -13.191 1.00 0.00 H ATOM 529 1HG GLU A 31 -7.039 4.664 -11.287 1.00 0.00 H ATOM 530 2HG GLU A 31 -6.421 5.933 -10.231 1.00 0.00 H ATOM 531 N ASP A 32 -5.333 3.984 -13.981 1.00 0.00 N ATOM 532 CA ASP A 32 -5.340 2.564 -14.316 1.00 0.00 C ATOM 533 C ASP A 32 -3.948 1.960 -14.179 1.00 0.00 C ATOM 534 O ASP A 32 -3.784 0.875 -13.621 1.00 0.00 O ATOM 535 CB ASP A 32 -5.858 2.351 -15.740 1.00 0.00 C ATOM 536 CG ASP A 32 -7.354 2.605 -15.870 1.00 0.00 C ATOM 537 OD1 ASP A 32 -8.021 2.637 -14.863 1.00 0.00 O ATOM 538 OD2 ASP A 32 -7.815 2.764 -16.975 1.00 0.00 O ATOM 539 H ASP A 32 -5.651 4.652 -14.669 1.00 0.00 H ATOM 540 HA ASP A 32 -6.013 2.050 -13.629 1.00 0.00 H ATOM 541 1HB ASP A 32 -5.331 3.017 -16.423 1.00 0.00 H ATOM 542 2HB ASP A 32 -5.649 1.328 -16.054 1.00 0.00 H ATOM 543 N ALA A 33 -2.948 2.668 -14.693 1.00 0.00 N ATOM 544 CA ALA A 33 -1.562 2.228 -14.583 1.00 0.00 C ATOM 545 C ALA A 33 -1.111 2.186 -13.129 1.00 0.00 C ATOM 546 O ALA A 33 -0.368 1.291 -12.725 1.00 0.00 O ATOM 547 CB ALA A 33 -0.652 3.139 -15.393 1.00 0.00 C ATOM 548 H ALA A 33 -3.153 3.534 -15.171 1.00 0.00 H ATOM 549 HA ALA A 33 -1.484 1.225 -15.003 1.00 0.00 H ATOM 550 1HB ALA A 33 0.379 2.798 -15.302 1.00 0.00 H ATOM 551 2HB ALA A 33 -0.950 3.114 -16.441 1.00 0.00 H ATOM 552 3HB ALA A 33 -0.731 4.158 -15.019 1.00 0.00 H ATOM 553 N ALA A 34 -1.564 3.159 -12.345 1.00 0.00 N ATOM 554 CA ALA A 34 -1.259 3.200 -10.920 1.00 0.00 C ATOM 555 C ALA A 34 -1.817 1.978 -10.202 1.00 0.00 C ATOM 556 O ALA A 34 -1.114 1.325 -9.431 1.00 0.00 O ATOM 557 CB ALA A 34 -1.807 4.476 -10.298 1.00 0.00 C ATOM 558 H ALA A 34 -2.135 3.888 -12.748 1.00 0.00 H ATOM 559 HA ALA A 34 -0.175 3.212 -10.799 1.00 0.00 H ATOM 560 1HB ALA A 34 -1.571 4.492 -9.234 1.00 0.00 H ATOM 561 2HB ALA A 34 -1.354 5.341 -10.783 1.00 0.00 H ATOM 562 3HB ALA A 34 -2.887 4.510 -10.430 1.00 0.00 H ATOM 563 N ARG A 35 -3.085 1.675 -10.459 1.00 0.00 N ATOM 564 CA ARG A 35 -3.734 0.519 -9.852 1.00 0.00 C ATOM 565 C ARG A 35 -3.055 -0.778 -10.270 1.00 0.00 C ATOM 566 O ARG A 35 -2.893 -1.694 -9.464 1.00 0.00 O ATOM 567 CB ARG A 35 -5.205 0.466 -10.240 1.00 0.00 C ATOM 568 CG ARG A 35 -6.069 1.553 -9.621 1.00 0.00 C ATOM 569 CD ARG A 35 -7.479 1.462 -10.080 1.00 0.00 C ATOM 570 NE ARG A 35 -8.292 2.546 -9.554 1.00 0.00 N ATOM 571 CZ ARG A 35 -8.901 2.532 -8.352 1.00 0.00 C ATOM 572 NH1 ARG A 35 -8.780 1.485 -7.566 1.00 0.00 N ATOM 573 NH2 ARG A 35 -9.620 3.570 -7.964 1.00 0.00 N ATOM 574 H ARG A 35 -3.612 2.259 -11.092 1.00 0.00 H ATOM 575 HA ARG A 35 -3.667 0.615 -8.767 1.00 0.00 H ATOM 576 1HB ARG A 35 -5.298 0.547 -11.322 1.00 0.00 H ATOM 577 2HB ARG A 35 -5.624 -0.496 -9.946 1.00 0.00 H ATOM 578 1HG ARG A 35 -6.055 1.455 -8.535 1.00 0.00 H ATOM 579 2HG ARG A 35 -5.679 2.532 -9.901 1.00 0.00 H ATOM 580 1HD ARG A 35 -7.510 1.510 -11.168 1.00 0.00 H ATOM 581 2HD ARG A 35 -7.910 0.519 -9.746 1.00 0.00 H ATOM 582 HE ARG A 35 -8.408 3.369 -10.130 1.00 0.00 H ATOM 583 1HH1 ARG A 35 -8.230 0.692 -7.863 1.00 0.00 H ATOM 584 2HH1 ARG A 35 -9.236 1.475 -6.666 1.00 0.00 H ATOM 585 1HH2 ARG A 35 -9.714 4.375 -8.568 1.00 0.00 H ATOM 586 2HH2 ARG A 35 -10.077 3.560 -7.063 1.00 0.00 H ATOM 587 N LYS A 36 -2.658 -0.851 -11.536 1.00 0.00 N ATOM 588 CA LYS A 36 -1.893 -1.987 -12.035 1.00 0.00 C ATOM 589 C LYS A 36 -0.598 -2.166 -11.253 1.00 0.00 C ATOM 590 O LYS A 36 -0.262 -3.275 -10.836 1.00 0.00 O ATOM 591 CB LYS A 36 -1.588 -1.815 -13.524 1.00 0.00 C ATOM 592 CG LYS A 36 -0.811 -2.968 -14.145 1.00 0.00 C ATOM 593 CD LYS A 36 -0.603 -2.756 -15.637 1.00 0.00 C ATOM 594 CE LYS A 36 0.204 -3.890 -16.251 1.00 0.00 C ATOM 595 NZ LYS A 36 0.379 -3.717 -17.719 1.00 0.00 N ATOM 596 H LYS A 36 -2.892 -0.099 -12.169 1.00 0.00 H ATOM 597 HA LYS A 36 -2.497 -2.888 -11.922 1.00 0.00 H ATOM 598 1HB LYS A 36 -2.521 -1.705 -14.077 1.00 0.00 H ATOM 599 2HB LYS A 36 -1.010 -0.903 -13.674 1.00 0.00 H ATOM 600 1HG LYS A 36 0.162 -3.054 -13.660 1.00 0.00 H ATOM 601 2HG LYS A 36 -1.356 -3.899 -13.991 1.00 0.00 H ATOM 602 1HD LYS A 36 -1.572 -2.699 -16.135 1.00 0.00 H ATOM 603 2HD LYS A 36 -0.075 -1.816 -15.800 1.00 0.00 H ATOM 604 1HE LYS A 36 1.187 -3.931 -15.784 1.00 0.00 H ATOM 605 2HE LYS A 36 -0.301 -4.838 -16.068 1.00 0.00 H ATOM 606 1HZ LYS A 36 0.918 -4.488 -18.088 1.00 0.00 H ATOM 607 2HZ LYS A 36 -0.527 -3.696 -18.166 1.00 0.00 H ATOM 608 3HZ LYS A 36 0.864 -2.850 -17.901 1.00 0.00 H ATOM 609 N ALA A 37 0.125 -1.069 -11.056 1.00 0.00 N ATOM 610 CA ALA A 37 1.380 -1.101 -10.314 1.00 0.00 C ATOM 611 C ALA A 37 1.177 -1.665 -8.914 1.00 0.00 C ATOM 612 O ALA A 37 1.947 -2.510 -8.457 1.00 0.00 O ATOM 613 CB ALA A 37 1.988 0.292 -10.241 1.00 0.00 C ATOM 614 H ALA A 37 -0.203 -0.190 -11.430 1.00 0.00 H ATOM 615 HA ALA A 37 2.082 -1.741 -10.850 1.00 0.00 H ATOM 616 1HB ALA A 37 2.924 0.251 -9.684 1.00 0.00 H ATOM 617 2HB ALA A 37 2.181 0.658 -11.250 1.00 0.00 H ATOM 618 3HB ALA A 37 1.296 0.965 -9.738 1.00 0.00 H ATOM 619 N VAL A 38 0.137 -1.191 -8.236 1.00 0.00 N ATOM 620 CA VAL A 38 -0.168 -1.647 -6.885 1.00 0.00 C ATOM 621 C VAL A 38 -0.415 -3.150 -6.853 1.00 0.00 C ATOM 622 O VAL A 38 0.131 -3.860 -6.009 1.00 0.00 O ATOM 623 CB VAL A 38 -1.409 -0.914 -6.341 1.00 0.00 C ATOM 624 CG1 VAL A 38 -1.858 -1.531 -5.025 1.00 0.00 C ATOM 625 CG2 VAL A 38 -1.102 0.565 -6.167 1.00 0.00 C ATOM 626 H VAL A 38 -0.457 -0.498 -8.667 1.00 0.00 H ATOM 627 HA VAL A 38 0.683 -1.418 -6.242 1.00 0.00 H ATOM 628 HB VAL A 38 -2.230 -1.035 -7.049 1.00 0.00 H ATOM 629 1HG1 VAL A 38 -2.736 -1.001 -4.656 1.00 0.00 H ATOM 630 2HG1 VAL A 38 -2.107 -2.581 -5.181 1.00 0.00 H ATOM 631 3HG1 VAL A 38 -1.054 -1.452 -4.294 1.00 0.00 H ATOM 632 1HG2 VAL A 38 -1.985 1.077 -5.784 1.00 0.00 H ATOM 633 2HG2 VAL A 38 -0.278 0.686 -5.464 1.00 0.00 H ATOM 634 3HG2 VAL A 38 -0.824 0.995 -7.130 1.00 0.00 H ATOM 635 N GLU A 39 -1.240 -3.629 -7.777 1.00 0.00 N ATOM 636 CA GLU A 39 -1.535 -5.053 -7.877 1.00 0.00 C ATOM 637 C GLU A 39 -0.264 -5.866 -8.086 1.00 0.00 C ATOM 638 O GLU A 39 -0.041 -6.871 -7.411 1.00 0.00 O ATOM 639 CB GLU A 39 -2.515 -5.316 -9.023 1.00 0.00 C ATOM 640 CG GLU A 39 -2.909 -6.776 -9.190 1.00 0.00 C ATOM 641 CD GLU A 39 -3.868 -6.996 -10.327 1.00 0.00 C ATOM 642 OE1 GLU A 39 -4.157 -6.055 -11.027 1.00 0.00 O ATOM 643 OE2 GLU A 39 -4.313 -8.107 -10.496 1.00 0.00 O ATOM 644 H GLU A 39 -1.674 -2.989 -8.428 1.00 0.00 H ATOM 645 HA GLU A 39 -2.007 -5.374 -6.947 1.00 0.00 H ATOM 646 1HB GLU A 39 -3.426 -4.739 -8.863 1.00 0.00 H ATOM 647 2HB GLU A 39 -2.075 -4.978 -9.962 1.00 0.00 H ATOM 648 1HG GLU A 39 -2.011 -7.366 -9.369 1.00 0.00 H ATOM 649 2HG GLU A 39 -3.364 -7.127 -8.265 1.00 0.00 H ATOM 650 N LEU A 40 0.566 -5.425 -9.024 1.00 0.00 N ATOM 651 CA LEU A 40 1.788 -6.144 -9.365 1.00 0.00 C ATOM 652 C LEU A 40 2.756 -6.173 -8.190 1.00 0.00 C ATOM 653 O LEU A 40 3.516 -7.128 -8.022 1.00 0.00 O ATOM 654 CB LEU A 40 2.465 -5.493 -10.578 1.00 0.00 C ATOM 655 CG LEU A 40 1.717 -5.627 -11.910 1.00 0.00 C ATOM 656 CD1 LEU A 40 2.387 -4.753 -12.960 1.00 0.00 C ATOM 657 CD2 LEU A 40 1.704 -7.086 -12.340 1.00 0.00 C ATOM 658 H LEU A 40 0.346 -4.570 -9.514 1.00 0.00 H ATOM 659 HA LEU A 40 1.524 -7.170 -9.627 1.00 0.00 H ATOM 660 1HB LEU A 40 2.593 -4.431 -10.375 1.00 0.00 H ATOM 661 2HB LEU A 40 3.452 -5.938 -10.706 1.00 0.00 H ATOM 662 HG LEU A 40 0.692 -5.276 -11.788 1.00 0.00 H ATOM 663 1HD1 LEU A 40 1.855 -4.848 -13.907 1.00 0.00 H ATOM 664 2HD1 LEU A 40 2.365 -3.712 -12.636 1.00 0.00 H ATOM 665 3HD1 LEU A 40 3.421 -5.070 -13.092 1.00 0.00 H ATOM 666 1HD2 LEU A 40 1.171 -7.182 -13.287 1.00 0.00 H ATOM 667 2HD2 LEU A 40 2.728 -7.439 -12.463 1.00 0.00 H ATOM 668 3HD2 LEU A 40 1.203 -7.686 -11.580 1.00 0.00 H ATOM 669 N LEU A 41 2.725 -5.122 -7.378 1.00 0.00 N ATOM 670 CA LEU A 41 3.562 -5.049 -6.186 1.00 0.00 C ATOM 671 C LEU A 41 3.071 -6.006 -5.108 1.00 0.00 C ATOM 672 O LEU A 41 3.852 -6.771 -4.541 1.00 0.00 O ATOM 673 CB LEU A 41 3.580 -3.617 -5.638 1.00 0.00 C ATOM 674 CG LEU A 41 4.405 -3.403 -4.362 1.00 0.00 C ATOM 675 CD1 LEU A 41 5.853 -3.796 -4.621 1.00 0.00 C ATOM 676 CD2 LEU A 41 4.302 -1.948 -3.929 1.00 0.00 C ATOM 677 H LEU A 41 2.104 -4.354 -7.591 1.00 0.00 H ATOM 678 HA LEU A 41 4.581 -5.326 -6.462 1.00 0.00 H ATOM 679 1HB LEU A 41 3.980 -2.956 -6.405 1.00 0.00 H ATOM 680 2HB LEU A 41 2.555 -3.314 -5.425 1.00 0.00 H ATOM 681 HG LEU A 41 4.021 -4.046 -3.569 1.00 0.00 H ATOM 682 1HD1 LEU A 41 6.439 -3.644 -3.715 1.00 0.00 H ATOM 683 2HD1 LEU A 41 5.899 -4.846 -4.910 1.00 0.00 H ATOM 684 3HD1 LEU A 41 6.259 -3.180 -5.423 1.00 0.00 H ATOM 685 1HD2 LEU A 41 4.887 -1.797 -3.021 1.00 0.00 H ATOM 686 2HD2 LEU A 41 4.686 -1.305 -4.720 1.00 0.00 H ATOM 687 3HD2 LEU A 41 3.258 -1.700 -3.733 1.00 0.00 H ATOM 688 N GLU A 42 1.773 -5.959 -4.829 1.00 0.00 N ATOM 689 CA GLU A 42 1.190 -6.760 -3.759 1.00 0.00 C ATOM 690 C GLU A 42 1.279 -8.248 -4.074 1.00 0.00 C ATOM 691 O GLU A 42 1.521 -9.067 -3.187 1.00 0.00 O ATOM 692 CB GLU A 42 -0.270 -6.364 -3.531 1.00 0.00 C ATOM 693 CG GLU A 42 -0.459 -4.984 -2.916 1.00 0.00 C ATOM 694 CD GLU A 42 -1.905 -4.593 -2.789 1.00 0.00 C ATOM 695 OE1 GLU A 42 -2.740 -5.309 -3.287 1.00 0.00 O ATOM 696 OE2 GLU A 42 -2.174 -3.576 -2.194 1.00 0.00 O ATOM 697 H GLU A 42 1.175 -5.353 -5.371 1.00 0.00 H ATOM 698 HA GLU A 42 1.742 -6.564 -2.839 1.00 0.00 H ATOM 699 1HB GLU A 42 -0.805 -6.383 -4.481 1.00 0.00 H ATOM 700 2HB GLU A 42 -0.746 -7.091 -2.873 1.00 0.00 H ATOM 701 1HG GLU A 42 -0.003 -4.973 -1.927 1.00 0.00 H ATOM 702 2HG GLU A 42 0.059 -4.250 -3.532 1.00 0.00 H ATOM 703 N LYS A 43 1.082 -8.592 -5.342 1.00 0.00 N ATOM 704 CA LYS A 43 1.103 -9.986 -5.770 1.00 0.00 C ATOM 705 C LYS A 43 2.513 -10.427 -6.138 1.00 0.00 C ATOM 706 O LYS A 43 3.329 -9.622 -6.588 1.00 0.00 O ATOM 707 OXT LYS A 43 2.841 -11.572 -5.991 1.00 0.00 O ATOM 708 CB LYS A 43 0.159 -10.197 -6.955 1.00 0.00 C ATOM 709 CG LYS A 43 -1.317 -10.022 -6.623 1.00 0.00 C ATOM 710 CD LYS A 43 -2.191 -10.279 -7.841 1.00 0.00 C ATOM 711 CE LYS A 43 -3.669 -10.167 -7.495 1.00 0.00 C ATOM 712 NZ LYS A 43 -4.535 -10.331 -8.695 1.00 0.00 N ATOM 713 H LYS A 43 0.912 -7.870 -6.027 1.00 0.00 H ATOM 714 HA LYS A 43 0.746 -10.606 -4.947 1.00 0.00 H ATOM 715 1HB LYS A 43 0.409 -9.493 -7.749 1.00 0.00 H ATOM 716 2HB LYS A 43 0.295 -11.202 -7.354 1.00 0.00 H ATOM 717 1HG LYS A 43 -1.597 -10.718 -5.831 1.00 0.00 H ATOM 718 2HG LYS A 43 -1.492 -9.006 -6.268 1.00 0.00 H ATOM 719 1HD LYS A 43 -1.953 -9.553 -8.620 1.00 0.00 H ATOM 720 2HD LYS A 43 -1.993 -11.278 -8.227 1.00 0.00 H ATOM 721 1HE LYS A 43 -3.931 -10.933 -6.767 1.00 0.00 H ATOM 722 2HE LYS A 43 -3.866 -9.192 -7.051 1.00 0.00 H ATOM 723 1HZ LYS A 43 -5.505 -10.250 -8.424 1.00 0.00 H ATOM 724 2HZ LYS A 43 -4.313 -9.613 -9.371 1.00 0.00 H ATOM 725 3HZ LYS A 43 -4.375 -11.240 -9.105 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE nods_new_heeh_22.bp_pass_20151014165116_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_intra_sol_xover4 lk_ball_wtd fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 rama omega fa_dun p_aa_pp yhh_planarity ref total weights 1 0.55 1 0.005 1 1 1 1.25 1.17 1.17 1.17 1.1 1.25 0.25 0.625 0.7 0.4 0.625 1 NA pose -186.435 16.4696 89.0134 0.45425 5.49893 1.24542 -32.2654 0 -20.5674 -5.40234 -5.44438 -8.69899 0 -5.94937 3.17908 50.3303 -7.59443 0 3.76424 -102.402 THR:NtermProteinFull_1 -3.70568 0.17781 3.11577 0.00757 0.06013 -0.01138 -0.54305 0 0 0 -0.86775 0 0 0 0.04771 0.01309 0 0 0.72083 -0.98495 GLU_2 -3.03511 0.13257 2.99517 0.0065 0.64971 0.06557 -1.63218 0 0 0 0 -0.69419 0 -0.31838 0.47161 2.90485 -0.20471 0 -2.28137 -0.93995 LEU_3 -6.10038 0.84718 0.39657 0.01523 0.06456 -0.02343 -0.12022 0 0 0 0 0 0 -0.02754 0.01508 0.44793 -0.13504 0 1.68043 -2.93964 LYS_4 -4.86924 0.28133 3.18017 0.00823 0.11171 0.0385 -0.07797 0 0 0 -0.86775 0 0 -0.11288 0.06921 1.05165 -0.04993 0 -0.47142 -1.70838 LYS_5 -4.74319 0.31314 4.3722 0.00643 0.07232 0.10906 -1.76821 0 0 0 0 -0.69419 0 -0.12183 0.05859 1.30436 -0.03697 0 -0.47142 -1.5997 LYS_6 -4.37484 0.19046 2.6564 0.00917 0.11346 -0.05309 -0.31958 0 0 0 0 0 0 -0.20022 0.04504 1.12429 -0.05534 0 -0.47142 -1.33567 LEU_7 -7.82516 1.06345 0.24956 0.01315 0.02763 0 -0.50713 0 0 0 0 0 0 -0.13532 0.07837 0.35294 -0.1491 0 1.68043 -5.15119 GLU_8 -4.5091 0.23762 3.98184 0.00968 0.25634 -0.08251 -1.17055 0 0 0 0 0 0 -0.04333 0.08222 2.60247 -0.13881 0 -2.28137 -1.05549 GLU_9 -4.46553 0.18628 4.11453 0.00978 0.27013 0.23367 -1.86009 0 0 0 0 -0.54191 0 -0.09591 0.02725 2.77538 -0.10984 0 -2.28137 -1.73762 ALA_10 -5.15543 0.55847 2.68562 0.0008 0 -0.02098 -0.8926 0 0 0 0 0 0 -0.13676 0.03517 0 -0.18967 0 1.56209 -1.55328 LEU_11 -4.71925 0.48127 1.51225 0.0144 0.02934 -0.00438 -0.07512 0 0 0 0 0 0 -0.14178 0.00469 0.24705 -0.15237 0 1.68043 -1.12346 LYS_12 -3.23665 0.15735 2.8556 0.00636 0.0735 -0.07643 -0.76873 0 0 0 0 0 0 -0.30276 0.00586 0.9483 -0.03436 0 -0.47142 -0.84337 LYS_13 -4.06183 0.14803 3.61825 0.00657 0.0775 0.09326 -1.65197 0 0 0 0 -0.54191 0 -0.23876 0.02941 1.0915 -0.03946 0 -0.47142 -1.94082 GLY_14 -1.44858 0.16143 1.46252 4e-05 0 0 0.06715 0 0 0 0 0 0 -0.34695 0.00401 0 -0.9805 0 0.8121 -0.26878 GLU_15 -3.3415 0.17128 2.15075 0.00716 0.21716 -0.19274 -0.30328 0 0 0 0 0 0 -0.09508 0.04901 2.59781 0.00201 0 -2.28137 -1.01879 GLU_16 -2.61765 0.17453 1.94187 0.00697 0.2112 0.16264 -1.70043 0 0 0 0 -0.65431 0 -0.12724 0.05363 2.55917 -0.00237 0 -2.28137 -2.27335 VAL_17 -4.86896 0.87481 0.12465 0.01677 0.02387 -0.08241 -0.59194 0 0 0 0 0 0 -0.08673 0.19167 0.07928 -0.40111 0 2.2876 -2.4325 ARG_18 -2.61472 0.18787 1.70901 0.01454 0.20664 0.37859 -1.91057 0 0 0 0 -0.90775 0 0.0552 0.09645 1.62028 0.0555 0 -0.4 -1.50897 VAL_19 -4.13421 0.53545 0.183 0.01569 0.02195 0.04454 -0.50361 0 0 0 0 0 0 -0.14985 0.12109 0.20991 -0.26479 0 2.2876 -1.63322 LYS_20 -3.02707 0.17121 1.14819 0.00805 0.08107 -0.05642 -0.43708 0 0 0 0 0 0 0.00974 0.16088 1.23399 0.01538 0 -0.47142 -1.16348 PHE_21 -7.74036 1.60338 1.09036 0.03756 0.43014 -0.11121 -0.57723 0 0 0 0 0 0 0.04059 7e-05 2.34089 -0.1339 0 0.45595 -2.56376 ASN_22 -3.1256 0.40102 2.05343 0.00663 0.23717 -0.12845 -0.67262 0 0 0 -1.07436 0 0 -0.25035 0.01078 1.8627 -0.51678 0 -1.09912 -2.29556 GLY_23 -1.28015 0.32318 0.91274 1e-05 0 -0.01609 0.24568 0 0 0 0 0 0 -0.45756 0.07867 0 -0.96403 0 0.8121 -0.34546 ILE_24 -4.95685 0.55154 1.702 0.02521 0.03962 -0.00243 -0.41608 0 0 0 0 0 0 -0.22202 0.37686 0.21405 -0.51809 0 2.27849 -0.92768 GLU_25 -3.11931 0.14607 2.18628 0.00867 0.24999 0.33839 -2.18191 0 0 0 0 -0.90775 0 -0.13778 0.04135 2.58276 0.03458 0 -2.28137 -3.04003 ILE_26 -5.36413 0.25366 -0.13676 0.02989 0.04291 -0.02292 -0.71895 0 0 0 0 0 0 0.02729 0.19277 0.75101 -0.21476 0 2.27849 -2.88152 ARG_27 -3.45458 0.12088 1.77761 0.01438 0.19133 0.18958 -1.84168 0 0 0 0 -0.65431 0 -0.06294 0.05089 1.58862 0.07049 0 -0.4 -2.40974 ILE_28 -7.39542 0.83904 -0.34794 0.03135 0.05735 -0.03426 -0.6476 0 0 0 0 0 0 -0.32264 0.04694 2.73725 -0.43112 0 2.27849 -3.18857 THR_29 -2.3255 0.1568 0.98057 0.00643 0.06432 -0.26652 0.03255 0 0 0 0 0 0 -0.06479 0.0751 0.04305 -0.36685 0 0.72083 -0.94401 SER_30 -3.57968 0.15852 2.43307 0.0013 0.05125 -0.05997 -0.61594 0 0 0 -0.78008 0 0 -0.14991 0.13727 0.10181 -0.30701 0 0.5 -2.10937 GLU_31 -4.22196 0.3241 2.71043 0.00958 0.27933 0.28164 -1.73155 0 0 0 0 -0.83608 0 -0.21251 0.01921 3.00199 -0.11862 0 -2.28137 -2.77582 ASP_32 -2.98743 0.14735 2.53252 0.0036 0.23581 -0.01342 -0.40215 0 0 0 0 0 0 -0.07166 0.03695 1.62076 0.06175 0 -2.00354 -0.83945 ALA_33 -4.88867 0.26637 1.89819 0.00083 0 0.03755 -0.20048 0 0 0 -0.78008 0 0 -0.26246 0.05373 0 -0.22967 0 1.56209 -2.54259 ALA_34 -5.52596 0.82399 1.21043 0.00079 0 -0.00644 -0.3554 0 0 0 0 0 0 -0.07069 0.00503 0 -0.14205 0 1.56209 -2.49819 ARG_35 -4.57912 0.13099 3.78978 0.01441 0.22687 0.35907 -1.74513 0 0 0 0 -0.83608 0 -0.25841 0.1836 2.03071 -0.10441 0 -0.4 -1.18773 LYS_36 -4.86992 0.35384 2.55178 0.00874 0.10696 -0.03988 -0.41762 0 0 0 0 0 0 -0.15362 0.00151 1.03468 -0.04349 0 -0.47142 -1.93843 ALA_37 -5.75571 0.46455 1.0398 0.0008 0 0 -0.31739 0 0 0 0 0 0 -0.11205 2e-05 0 -0.17956 0 1.56209 -3.29745 VAL_38 -5.76014 0.46757 2.32531 0.01905 0.0244 -0.14364 -0.37146 0 0 0 0 0 0 0.06215 0.01485 -0.00387 -0.04266 0 2.2876 -1.12082 GLU_39 -4.73111 0.24985 4.20776 0.00945 0.26808 0.23079 -1.68873 0 0 0 0 -0.71525 0 -0.15838 0.04825 2.68168 -0.12856 0 -2.28137 -2.00754 LEU_40 -5.59216 0.63552 1.57683 0.01312 0.03058 0.04441 -0.05515 0 0 0 -0.49502 0 0 -0.17233 0.03911 0.17836 -0.12764 0 1.68043 -2.24395 LEU_41 -5.92745 0.7703 1.98582 0.01588 0.0639 -0.00671 -0.00193 0 0 0 -0.57934 0 0 -0.012 0.10057 0.49388 -0.14974 0 1.68043 -1.56639 GLU_42 -3.24133 0.09309 2.41761 0.00682 0.21531 -0.11617 -0.03128 0 0 0 0 0 0 -0.31093 0.01864 2.62189 -0.17085 0 -2.28137 -0.77857 LYS:CtermProteinFull_43 -3.15862 0.13646 3.66182 0.00663 0.1154 0.21006 -0.7862 0 0 0 0 -0.71525 0 0 0 1.28383 0 0 -0.47142 0.28271 #END_POSE_ENERGIES_TABLE nods_new_heeh_22.bp_pass_20151014165116_0001.pdb AlaCount 4 bb -0.125607 buried_minus_exposed 3593.59 buried_np 5293.79 buried_over_exposed 3.1136 cavity_volume 0 contact_all 260 contact_core_SASA 260 contact_core_SCN 260 degree 9.60465 degree_core_SASA 9.60465 degree_core_SCN 9.60465 exposed_hydrophobics 1700.21 exposed_polars 1694.13 exposed_total 3394.33 fxn_exposed_is_np 0.500896 holes -0.791199 mismatch_probability 0.242253 one_core_each 1 pack 0.70504 percent_core_SASA 0.0465008 percent_core_SCN 0.139502 res_count_core_SASA 2 res_count_core_SCN 6 sidechain_neighbors -84.8951 ss_sc 0.795148 two_core_each 0.5 unsat_hbond 3
HEEH_rd3_0784.pdb
ATOM 1 N ILE A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA ILE A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C ILE A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O ILE A 1 1.738 2.201 -0.912 1.00 0.00 O ATOM 5 CB ILE A 1 2.007 -0.764 -1.218 1.00 0.00 C ATOM 6 CG1 ILE A 1 1.484 -2.203 -1.226 1.00 0.00 C ATOM 7 CG2 ILE A 1 3.528 -0.748 -1.216 1.00 0.00 C ATOM 8 CD1 ILE A 1 1.741 -2.939 -2.522 1.00 0.00 C ATOM 9 1H ILE A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 10 2H ILE A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 11 3H ILE A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 12 HA ILE A 1 1.804 -0.509 0.900 1.00 0.00 H ATOM 13 HB ILE A 1 1.650 -0.294 -2.134 1.00 0.00 H ATOM 14 1HG1 ILE A 1 1.950 -2.764 -0.417 1.00 0.00 H ATOM 15 2HG1 ILE A 1 0.409 -2.200 -1.044 1.00 0.00 H ATOM 16 1HG2 ILE A 1 3.900 -1.293 -2.083 1.00 0.00 H ATOM 17 2HG2 ILE A 1 3.880 0.282 -1.256 1.00 0.00 H ATOM 18 3HG2 ILE A 1 3.895 -1.221 -0.305 1.00 0.00 H ATOM 19 1HD1 ILE A 1 1.341 -3.951 -2.451 1.00 0.00 H ATOM 20 2HD1 ILE A 1 1.252 -2.413 -3.342 1.00 0.00 H ATOM 21 3HD1 ILE A 1 2.813 -2.985 -2.707 1.00 0.00 H ATOM 22 N GLU A 2 2.783 1.749 1.028 1.00 0.00 N ATOM 23 CA GLU A 2 3.307 3.100 1.192 1.00 0.00 C ATOM 24 C GLU A 2 4.407 3.391 0.180 1.00 0.00 C ATOM 25 O GLU A 2 4.559 4.524 -0.278 1.00 0.00 O ATOM 26 CB GLU A 2 3.842 3.296 2.613 1.00 0.00 C ATOM 27 CG GLU A 2 2.777 3.237 3.699 1.00 0.00 C ATOM 28 CD GLU A 2 1.741 4.317 3.562 1.00 0.00 C ATOM 29 OE1 GLU A 2 2.113 5.455 3.407 1.00 0.00 O ATOM 30 OE2 GLU A 2 0.575 4.004 3.613 1.00 0.00 O ATOM 31 H GLU A 2 3.016 1.045 1.714 1.00 0.00 H ATOM 32 HA GLU A 2 2.492 3.808 1.036 1.00 0.00 H ATOM 33 1HB GLU A 2 4.585 2.529 2.830 1.00 0.00 H ATOM 34 2HB GLU A 2 4.339 4.264 2.684 1.00 0.00 H ATOM 35 1HG GLU A 2 2.282 2.267 3.656 1.00 0.00 H ATOM 36 2HG GLU A 2 3.260 3.324 4.671 1.00 0.00 H ATOM 37 N ALA A 3 5.173 2.362 -0.166 1.00 0.00 N ATOM 38 CA ALA A 3 6.244 2.499 -1.146 1.00 0.00 C ATOM 39 C ALA A 3 5.702 2.965 -2.492 1.00 0.00 C ATOM 40 O ALA A 3 6.330 3.769 -3.180 1.00 0.00 O ATOM 41 CB ALA A 3 6.990 1.182 -1.304 1.00 0.00 C ATOM 42 H ALA A 3 5.010 1.462 0.261 1.00 0.00 H ATOM 43 HA ALA A 3 6.955 3.240 -0.780 1.00 0.00 H ATOM 44 1HB ALA A 3 7.786 1.301 -2.039 1.00 0.00 H ATOM 45 2HB ALA A 3 7.421 0.892 -0.346 1.00 0.00 H ATOM 46 3HB ALA A 3 6.299 0.411 -1.639 1.00 0.00 H ATOM 47 N VAL A 4 4.532 2.455 -2.862 1.00 0.00 N ATOM 48 CA VAL A 4 3.903 2.817 -4.126 1.00 0.00 C ATOM 49 C VAL A 4 3.370 4.244 -4.087 1.00 0.00 C ATOM 50 O VAL A 4 3.445 4.972 -5.076 1.00 0.00 O ATOM 51 CB VAL A 4 2.749 1.850 -4.446 1.00 0.00 C ATOM 52 CG1 VAL A 4 1.976 2.327 -5.666 1.00 0.00 C ATOM 53 CG2 VAL A 4 3.295 0.447 -4.667 1.00 0.00 C ATOM 54 H VAL A 4 4.067 1.798 -2.251 1.00 0.00 H ATOM 55 HA VAL A 4 4.650 2.745 -4.917 1.00 0.00 H ATOM 56 HB VAL A 4 2.052 1.841 -3.608 1.00 0.00 H ATOM 57 1HG1 VAL A 4 1.164 1.631 -5.878 1.00 0.00 H ATOM 58 2HG1 VAL A 4 1.564 3.317 -5.472 1.00 0.00 H ATOM 59 3HG1 VAL A 4 2.646 2.373 -6.525 1.00 0.00 H ATOM 60 1HG2 VAL A 4 2.473 -0.232 -4.892 1.00 0.00 H ATOM 61 2HG2 VAL A 4 3.996 0.457 -5.501 1.00 0.00 H ATOM 62 3HG2 VAL A 4 3.807 0.110 -3.766 1.00 0.00 H ATOM 63 N LYS A 5 2.832 4.638 -2.937 1.00 0.00 N ATOM 64 CA LYS A 5 2.413 6.017 -2.721 1.00 0.00 C ATOM 65 C LYS A 5 3.564 6.986 -2.956 1.00 0.00 C ATOM 66 O LYS A 5 3.402 8.007 -3.625 1.00 0.00 O ATOM 67 CB LYS A 5 1.858 6.192 -1.306 1.00 0.00 C ATOM 68 CG LYS A 5 0.523 5.500 -1.064 1.00 0.00 C ATOM 69 CD LYS A 5 0.053 5.693 0.371 1.00 0.00 C ATOM 70 CE LYS A 5 -1.221 4.910 0.646 1.00 0.00 C ATOM 71 NZ LYS A 5 -1.653 5.031 2.065 1.00 0.00 N ATOM 72 H LYS A 5 2.711 3.964 -2.195 1.00 0.00 H ATOM 73 HA LYS A 5 1.611 6.249 -3.423 1.00 0.00 H ATOM 74 1HB LYS A 5 2.574 5.801 -0.583 1.00 0.00 H ATOM 75 2HB LYS A 5 1.728 7.254 -1.095 1.00 0.00 H ATOM 76 1HG LYS A 5 -0.227 5.909 -1.741 1.00 0.00 H ATOM 77 2HG LYS A 5 0.625 4.434 -1.263 1.00 0.00 H ATOM 78 1HD LYS A 5 0.832 5.358 1.057 1.00 0.00 H ATOM 79 2HD LYS A 5 -0.135 6.751 0.552 1.00 0.00 H ATOM 80 1HE LYS A 5 -2.020 5.277 0.003 1.00 0.00 H ATOM 81 2HE LYS A 5 -1.058 3.856 0.419 1.00 0.00 H ATOM 82 1HZ LYS A 5 -2.500 4.498 2.207 1.00 0.00 H ATOM 83 2HZ LYS A 5 -0.927 4.675 2.670 1.00 0.00 H ATOM 84 3HZ LYS A 5 -1.827 6.002 2.283 1.00 0.00 H ATOM 85 N GLU A 6 4.727 6.661 -2.401 1.00 0.00 N ATOM 86 CA GLU A 6 5.919 7.480 -2.587 1.00 0.00 C ATOM 87 C GLU A 6 6.364 7.483 -4.043 1.00 0.00 C ATOM 88 O GLU A 6 6.751 8.521 -4.582 1.00 0.00 O ATOM 89 CB GLU A 6 7.057 6.974 -1.697 1.00 0.00 C ATOM 90 CG GLU A 6 6.832 7.186 -0.206 1.00 0.00 C ATOM 91 CD GLU A 6 7.915 6.580 0.641 1.00 0.00 C ATOM 92 OE1 GLU A 6 8.699 5.824 0.119 1.00 0.00 O ATOM 93 OE2 GLU A 6 7.959 6.873 1.813 1.00 0.00 O ATOM 94 H GLU A 6 4.787 5.826 -1.837 1.00 0.00 H ATOM 95 HA GLU A 6 5.686 8.503 -2.290 1.00 0.00 H ATOM 96 1HB GLU A 6 7.203 5.907 -1.864 1.00 0.00 H ATOM 97 2HB GLU A 6 7.984 7.478 -1.970 1.00 0.00 H ATOM 98 1HG GLU A 6 6.785 8.256 -0.005 1.00 0.00 H ATOM 99 2HG GLU A 6 5.873 6.750 0.071 1.00 0.00 H ATOM 100 N ALA A 7 6.308 6.317 -4.677 1.00 0.00 N ATOM 101 CA ALA A 7 6.647 6.195 -6.090 1.00 0.00 C ATOM 102 C ALA A 7 5.750 7.077 -6.949 1.00 0.00 C ATOM 103 O ALA A 7 6.229 7.809 -7.814 1.00 0.00 O ATOM 104 CB ALA A 7 6.545 4.743 -6.536 1.00 0.00 C ATOM 105 H ALA A 7 6.023 5.493 -4.166 1.00 0.00 H ATOM 106 HA ALA A 7 7.682 6.510 -6.226 1.00 0.00 H ATOM 107 1HB ALA A 7 6.800 4.669 -7.593 1.00 0.00 H ATOM 108 2HB ALA A 7 7.234 4.134 -5.951 1.00 0.00 H ATOM 109 3HB ALA A 7 5.527 4.387 -6.383 1.00 0.00 H ATOM 110 N GLN A 8 4.446 7.002 -6.705 1.00 0.00 N ATOM 111 CA GLN A 8 3.479 7.788 -7.462 1.00 0.00 C ATOM 112 C GLN A 8 3.814 9.273 -7.409 1.00 0.00 C ATOM 113 O GLN A 8 3.847 9.949 -8.437 1.00 0.00 O ATOM 114 CB GLN A 8 2.063 7.553 -6.929 1.00 0.00 C ATOM 115 CG GLN A 8 0.975 8.261 -7.719 1.00 0.00 C ATOM 116 CD GLN A 8 0.861 7.744 -9.140 1.00 0.00 C ATOM 117 OE1 GLN A 8 0.996 6.543 -9.391 1.00 0.00 O ATOM 118 NE2 GLN A 8 0.612 8.648 -10.080 1.00 0.00 N ATOM 119 H GLN A 8 4.116 6.385 -5.977 1.00 0.00 H ATOM 120 HA GLN A 8 3.505 7.461 -8.502 1.00 0.00 H ATOM 121 1HB GLN A 8 1.844 6.485 -6.938 1.00 0.00 H ATOM 122 2HB GLN A 8 2.002 7.891 -5.895 1.00 0.00 H ATOM 123 1HG GLN A 8 0.019 8.105 -7.220 1.00 0.00 H ATOM 124 2HG GLN A 8 1.205 9.326 -7.760 1.00 0.00 H ATOM 125 1HE2 GLN A 8 0.526 8.366 -11.036 1.00 0.00 H ATOM 126 2HE2 GLN A 8 0.509 9.612 -9.832 1.00 0.00 H ATOM 127 N LYS A 9 4.062 9.776 -6.204 1.00 0.00 N ATOM 128 CA LYS A 9 4.464 11.166 -6.022 1.00 0.00 C ATOM 129 C LYS A 9 5.658 11.514 -6.901 1.00 0.00 C ATOM 130 O LYS A 9 5.637 12.507 -7.629 1.00 0.00 O ATOM 131 CB LYS A 9 4.794 11.440 -4.554 1.00 0.00 C ATOM 132 CG LYS A 9 5.193 12.879 -4.257 1.00 0.00 C ATOM 133 CD LYS A 9 5.459 13.084 -2.773 1.00 0.00 C ATOM 134 CE LYS A 9 5.887 14.514 -2.479 1.00 0.00 C ATOM 135 NZ LYS A 9 6.146 14.731 -1.029 1.00 0.00 N ATOM 136 H LYS A 9 3.971 9.180 -5.394 1.00 0.00 H ATOM 137 HA LYS A 9 3.627 11.807 -6.299 1.00 0.00 H ATOM 138 1HB LYS A 9 3.929 11.198 -3.935 1.00 0.00 H ATOM 139 2HB LYS A 9 5.613 10.794 -4.238 1.00 0.00 H ATOM 140 1HG LYS A 9 6.095 13.130 -4.817 1.00 0.00 H ATOM 141 2HG LYS A 9 4.394 13.550 -4.570 1.00 0.00 H ATOM 142 1HD LYS A 9 4.554 12.861 -2.207 1.00 0.00 H ATOM 143 2HD LYS A 9 6.247 12.405 -2.447 1.00 0.00 H ATOM 144 1HE LYS A 9 6.795 14.744 -3.035 1.00 0.00 H ATOM 145 2HE LYS A 9 5.106 15.202 -2.802 1.00 0.00 H ATOM 146 1HZ LYS A 9 6.426 15.689 -0.876 1.00 0.00 H ATOM 147 2HZ LYS A 9 5.304 14.539 -0.504 1.00 0.00 H ATOM 148 3HZ LYS A 9 6.882 14.112 -0.722 1.00 0.00 H ATOM 149 N ALA A 10 6.699 10.692 -6.829 1.00 0.00 N ATOM 150 CA ALA A 10 7.923 10.937 -7.582 1.00 0.00 C ATOM 151 C ALA A 10 7.646 10.998 -9.079 1.00 0.00 C ATOM 152 O ALA A 10 8.161 11.869 -9.780 1.00 0.00 O ATOM 153 CB ALA A 10 8.956 9.861 -7.280 1.00 0.00 C ATOM 154 H ALA A 10 6.641 9.875 -6.237 1.00 0.00 H ATOM 155 HA ALA A 10 8.339 11.894 -7.264 1.00 0.00 H ATOM 156 1HB ALA A 10 9.864 10.058 -7.850 1.00 0.00 H ATOM 157 2HB ALA A 10 9.188 9.869 -6.215 1.00 0.00 H ATOM 158 3HB ALA A 10 8.558 8.887 -7.557 1.00 0.00 H ATOM 159 N VAL A 11 6.828 10.069 -9.563 1.00 0.00 N ATOM 160 CA VAL A 11 6.466 10.027 -10.974 1.00 0.00 C ATOM 161 C VAL A 11 5.820 11.334 -11.416 1.00 0.00 C ATOM 162 O VAL A 11 6.154 11.878 -12.469 1.00 0.00 O ATOM 163 CB VAL A 11 5.495 8.862 -11.242 1.00 0.00 C ATOM 164 CG1 VAL A 11 4.902 8.973 -12.639 1.00 0.00 C ATOM 165 CG2 VAL A 11 6.218 7.535 -11.067 1.00 0.00 C ATOM 166 H VAL A 11 6.448 9.374 -8.936 1.00 0.00 H ATOM 167 HA VAL A 11 7.372 9.870 -11.560 1.00 0.00 H ATOM 168 HB VAL A 11 4.667 8.921 -10.536 1.00 0.00 H ATOM 169 1HG1 VAL A 11 4.218 8.141 -12.811 1.00 0.00 H ATOM 170 2HG1 VAL A 11 4.359 9.913 -12.730 1.00 0.00 H ATOM 171 3HG1 VAL A 11 5.703 8.942 -13.378 1.00 0.00 H ATOM 172 1HG2 VAL A 11 5.526 6.715 -11.257 1.00 0.00 H ATOM 173 2HG2 VAL A 11 7.050 7.478 -11.770 1.00 0.00 H ATOM 174 3HG2 VAL A 11 6.598 7.459 -10.048 1.00 0.00 H ATOM 175 N GLU A 12 4.893 11.833 -10.606 1.00 0.00 N ATOM 176 CA GLU A 12 4.177 13.062 -10.927 1.00 0.00 C ATOM 177 C GLU A 12 5.098 14.273 -10.847 1.00 0.00 C ATOM 178 O GLU A 12 4.966 15.218 -11.626 1.00 0.00 O ATOM 179 CB GLU A 12 2.988 13.250 -9.981 1.00 0.00 C ATOM 180 CG GLU A 12 1.880 12.221 -10.153 1.00 0.00 C ATOM 181 CD GLU A 12 0.797 12.350 -9.118 1.00 0.00 C ATOM 182 OE1 GLU A 12 0.804 13.317 -8.396 1.00 0.00 O ATOM 183 OE2 GLU A 12 -0.037 11.478 -9.049 1.00 0.00 O ATOM 184 H GLU A 12 4.678 11.349 -9.746 1.00 0.00 H ATOM 185 HA GLU A 12 3.791 12.983 -11.944 1.00 0.00 H ATOM 186 1HB GLU A 12 3.334 13.200 -8.949 1.00 0.00 H ATOM 187 2HB GLU A 12 2.554 14.238 -10.134 1.00 0.00 H ATOM 188 1HG GLU A 12 1.437 12.341 -11.142 1.00 0.00 H ATOM 189 2HG GLU A 12 2.313 11.223 -10.097 1.00 0.00 H ATOM 190 N GLU A 13 6.030 14.239 -9.901 1.00 0.00 N ATOM 191 CA GLU A 13 6.996 15.320 -9.738 1.00 0.00 C ATOM 192 C GLU A 13 8.082 15.253 -10.804 1.00 0.00 C ATOM 193 O GLU A 13 8.651 16.274 -11.189 1.00 0.00 O ATOM 194 CB GLU A 13 7.629 15.264 -8.346 1.00 0.00 C ATOM 195 CG GLU A 13 6.685 15.637 -7.211 1.00 0.00 C ATOM 196 CD GLU A 13 7.345 15.584 -5.861 1.00 0.00 C ATOM 197 OE1 GLU A 13 8.140 14.702 -5.644 1.00 0.00 O ATOM 198 OE2 GLU A 13 7.052 16.427 -5.046 1.00 0.00 O ATOM 199 H GLU A 13 6.071 13.445 -9.279 1.00 0.00 H ATOM 200 HA GLU A 13 6.470 16.271 -9.834 1.00 0.00 H ATOM 201 1HB GLU A 13 8.000 14.257 -8.155 1.00 0.00 H ATOM 202 2HB GLU A 13 8.483 15.940 -8.307 1.00 0.00 H ATOM 203 1HG GLU A 13 6.312 16.647 -7.381 1.00 0.00 H ATOM 204 2HG GLU A 13 5.834 14.958 -7.222 1.00 0.00 H ATOM 205 N GLY A 14 8.366 14.044 -11.277 1.00 0.00 N ATOM 206 CA GLY A 14 9.429 13.833 -12.253 1.00 0.00 C ATOM 207 C GLY A 14 10.743 13.478 -11.569 1.00 0.00 C ATOM 208 O GLY A 14 11.821 13.697 -12.121 1.00 0.00 O ATOM 209 H GLY A 14 7.832 13.251 -10.952 1.00 0.00 H ATOM 210 1HA GLY A 14 9.142 13.034 -12.936 1.00 0.00 H ATOM 211 2HA GLY A 14 9.558 14.735 -12.850 1.00 0.00 H ATOM 212 N LYS A 15 10.646 12.927 -10.363 1.00 0.00 N ATOM 213 CA LYS A 15 11.828 12.558 -9.593 1.00 0.00 C ATOM 214 C LYS A 15 12.097 11.061 -9.681 1.00 0.00 C ATOM 215 O LYS A 15 11.206 10.279 -10.011 1.00 0.00 O ATOM 216 CB LYS A 15 11.667 12.978 -8.131 1.00 0.00 C ATOM 217 CG LYS A 15 11.538 14.481 -7.919 1.00 0.00 C ATOM 218 CD LYS A 15 11.436 14.824 -6.440 1.00 0.00 C ATOM 219 CE LYS A 15 11.203 16.313 -6.231 1.00 0.00 C ATOM 220 NZ LYS A 15 11.154 16.671 -4.788 1.00 0.00 N ATOM 221 H LYS A 15 9.731 12.760 -9.971 1.00 0.00 H ATOM 222 HA LYS A 15 12.687 13.092 -10.000 1.00 0.00 H ATOM 223 1HB LYS A 15 10.779 12.504 -7.712 1.00 0.00 H ATOM 224 2HB LYS A 15 12.526 12.632 -7.556 1.00 0.00 H ATOM 225 1HG LYS A 15 12.409 14.984 -8.341 1.00 0.00 H ATOM 226 2HG LYS A 15 10.648 14.845 -8.430 1.00 0.00 H ATOM 227 1HD LYS A 15 10.609 14.269 -5.994 1.00 0.00 H ATOM 228 2HD LYS A 15 12.358 14.536 -5.935 1.00 0.00 H ATOM 229 1HE LYS A 15 12.004 16.876 -6.706 1.00 0.00 H ATOM 230 2HE LYS A 15 10.260 16.602 -6.696 1.00 0.00 H ATOM 231 1HZ LYS A 15 10.998 17.665 -4.692 1.00 0.00 H ATOM 232 2HZ LYS A 15 10.401 16.168 -4.340 1.00 0.00 H ATOM 233 3HZ LYS A 15 12.030 16.425 -4.350 1.00 0.00 H ATOM 234 N THR A 16 13.331 10.669 -9.384 1.00 0.00 N ATOM 235 CA THR A 16 13.705 9.260 -9.370 1.00 0.00 C ATOM 236 C THR A 16 13.463 8.639 -8.000 1.00 0.00 C ATOM 237 O THR A 16 13.953 9.138 -6.987 1.00 0.00 O ATOM 238 CB THR A 16 15.180 9.073 -9.770 1.00 0.00 C ATOM 239 OG1 THR A 16 15.386 9.576 -11.096 1.00 0.00 O ATOM 240 CG2 THR A 16 15.563 7.602 -9.724 1.00 0.00 C ATOM 241 H THR A 16 14.029 11.365 -9.161 1.00 0.00 H ATOM 242 HA THR A 16 13.095 8.733 -10.105 1.00 0.00 H ATOM 243 HB THR A 16 15.816 9.630 -9.082 1.00 0.00 H ATOM 244 HG1 THR A 16 15.949 10.353 -11.060 1.00 0.00 H ATOM 245 1HG2 THR A 16 16.609 7.490 -10.009 1.00 0.00 H ATOM 246 2HG2 THR A 16 15.419 7.220 -8.714 1.00 0.00 H ATOM 247 3HG2 THR A 16 14.937 7.042 -10.417 1.00 0.00 H ATOM 248 N TYR A 17 12.706 7.548 -7.975 1.00 0.00 N ATOM 249 CA TYR A 17 12.399 6.856 -6.729 1.00 0.00 C ATOM 250 C TYR A 17 13.001 5.457 -6.712 1.00 0.00 C ATOM 251 O TYR A 17 12.956 4.740 -7.711 1.00 0.00 O ATOM 252 CB TYR A 17 10.885 6.784 -6.516 1.00 0.00 C ATOM 253 CG TYR A 17 10.480 6.060 -5.251 1.00 0.00 C ATOM 254 CD1 TYR A 17 10.624 6.681 -4.020 1.00 0.00 C ATOM 255 CD2 TYR A 17 9.966 4.774 -5.324 1.00 0.00 C ATOM 256 CE1 TYR A 17 10.254 6.019 -2.865 1.00 0.00 C ATOM 257 CE2 TYR A 17 9.596 4.112 -4.169 1.00 0.00 C ATOM 258 CZ TYR A 17 9.739 4.730 -2.943 1.00 0.00 C ATOM 259 OH TYR A 17 9.371 4.071 -1.793 1.00 0.00 O ATOM 260 H TYR A 17 12.333 7.188 -8.843 1.00 0.00 H ATOM 261 HA TYR A 17 12.821 7.429 -5.903 1.00 0.00 H ATOM 262 1HB TYR A 17 10.474 7.794 -6.476 1.00 0.00 H ATOM 263 2HB TYR A 17 10.422 6.277 -7.362 1.00 0.00 H ATOM 264 HD1 TYR A 17 11.028 7.692 -3.963 1.00 0.00 H ATOM 265 HD2 TYR A 17 9.854 4.285 -6.291 1.00 0.00 H ATOM 266 HE1 TYR A 17 10.367 6.508 -1.897 1.00 0.00 H ATOM 267 HE2 TYR A 17 9.193 3.101 -4.225 1.00 0.00 H ATOM 268 HH TYR A 17 9.185 4.713 -1.103 1.00 0.00 H ATOM 269 N GLU A 18 13.565 5.075 -5.572 1.00 0.00 N ATOM 270 CA GLU A 18 14.168 3.757 -5.419 1.00 0.00 C ATOM 271 C GLU A 18 13.970 3.220 -4.007 1.00 0.00 C ATOM 272 O GLU A 18 14.170 3.938 -3.027 1.00 0.00 O ATOM 273 CB GLU A 18 15.662 3.811 -5.750 1.00 0.00 C ATOM 274 CG GLU A 18 16.358 2.458 -5.737 1.00 0.00 C ATOM 275 CD GLU A 18 17.790 2.533 -6.188 1.00 0.00 C ATOM 276 OE1 GLU A 18 18.031 3.047 -7.254 1.00 0.00 O ATOM 277 OE2 GLU A 18 18.645 2.076 -5.466 1.00 0.00 O ATOM 278 H GLU A 18 13.577 5.715 -4.790 1.00 0.00 H ATOM 279 HA GLU A 18 13.690 3.074 -6.123 1.00 0.00 H ATOM 280 1HB GLU A 18 15.800 4.249 -6.738 1.00 0.00 H ATOM 281 2HB GLU A 18 16.170 4.456 -5.032 1.00 0.00 H ATOM 282 1HG GLU A 18 16.329 2.056 -4.725 1.00 0.00 H ATOM 283 2HG GLU A 18 15.813 1.775 -6.386 1.00 0.00 H ATOM 284 N ILE A 19 13.577 1.955 -3.910 1.00 0.00 N ATOM 285 CA ILE A 19 13.359 1.318 -2.617 1.00 0.00 C ATOM 286 C ILE A 19 13.446 -0.199 -2.729 1.00 0.00 C ATOM 287 O ILE A 19 13.073 -0.778 -3.749 1.00 0.00 O ATOM 288 CB ILE A 19 11.990 1.713 -2.034 1.00 0.00 C ATOM 289 CG1 ILE A 19 11.883 1.266 -0.574 1.00 0.00 C ATOM 290 CG2 ILE A 19 10.865 1.111 -2.862 1.00 0.00 C ATOM 291 CD1 ILE A 19 10.720 1.883 0.170 1.00 0.00 C ATOM 292 H ILE A 19 13.425 1.421 -4.754 1.00 0.00 H ATOM 293 HA ILE A 19 14.130 1.662 -1.927 1.00 0.00 H ATOM 294 HB ILE A 19 11.892 2.798 -2.039 1.00 0.00 H ATOM 295 1HG1 ILE A 19 11.778 0.182 -0.532 1.00 0.00 H ATOM 296 2HG1 ILE A 19 12.800 1.526 -0.045 1.00 0.00 H ATOM 297 1HG2 ILE A 19 9.905 1.399 -2.436 1.00 0.00 H ATOM 298 2HG2 ILE A 19 10.932 1.476 -3.886 1.00 0.00 H ATOM 299 3HG2 ILE A 19 10.952 0.024 -2.858 1.00 0.00 H ATOM 300 1HD1 ILE A 19 10.711 1.518 1.197 1.00 0.00 H ATOM 301 2HD1 ILE A 19 10.823 2.968 0.171 1.00 0.00 H ATOM 302 3HD1 ILE A 19 9.787 1.607 -0.320 1.00 0.00 H ATOM 303 N THR A 20 13.940 -0.838 -1.674 1.00 0.00 N ATOM 304 CA THR A 20 13.952 -2.294 -1.596 1.00 0.00 C ATOM 305 C THR A 20 12.837 -2.807 -0.695 1.00 0.00 C ATOM 306 O THR A 20 12.814 -2.525 0.503 1.00 0.00 O ATOM 307 CB THR A 20 15.310 -2.810 -1.084 1.00 0.00 C ATOM 308 OG1 THR A 20 16.352 -2.382 -1.971 1.00 0.00 O ATOM 309 CG2 THR A 20 15.308 -4.329 -1.006 1.00 0.00 C ATOM 310 H THR A 20 14.316 -0.301 -0.905 1.00 0.00 H ATOM 311 HA THR A 20 13.804 -2.695 -2.600 1.00 0.00 H ATOM 312 HB THR A 20 15.504 -2.401 -0.093 1.00 0.00 H ATOM 313 HG1 THR A 20 17.108 -2.089 -1.457 1.00 0.00 H ATOM 314 1HG2 THR A 20 16.275 -4.675 -0.642 1.00 0.00 H ATOM 315 2HG2 THR A 20 14.524 -4.657 -0.324 1.00 0.00 H ATOM 316 3HG2 THR A 20 15.124 -4.743 -1.996 1.00 0.00 H ATOM 317 N VAL A 21 11.912 -3.563 -1.278 1.00 0.00 N ATOM 318 CA VAL A 21 10.785 -4.107 -0.531 1.00 0.00 C ATOM 319 C VAL A 21 10.638 -5.605 -0.770 1.00 0.00 C ATOM 320 O VAL A 21 10.633 -6.063 -1.912 1.00 0.00 O ATOM 321 CB VAL A 21 9.481 -3.395 -0.937 1.00 0.00 C ATOM 322 CG1 VAL A 21 8.302 -3.958 -0.157 1.00 0.00 C ATOM 323 CG2 VAL A 21 9.615 -1.898 -0.706 1.00 0.00 C ATOM 324 H VAL A 21 11.993 -3.765 -2.265 1.00 0.00 H ATOM 325 HA VAL A 21 10.960 -3.938 0.532 1.00 0.00 H ATOM 326 HB VAL A 21 9.288 -3.585 -1.993 1.00 0.00 H ATOM 327 1HG1 VAL A 21 7.388 -3.443 -0.457 1.00 0.00 H ATOM 328 2HG1 VAL A 21 8.203 -5.023 -0.366 1.00 0.00 H ATOM 329 3HG1 VAL A 21 8.467 -3.810 0.910 1.00 0.00 H ATOM 330 1HG2 VAL A 21 8.690 -1.401 -0.995 1.00 0.00 H ATOM 331 2HG2 VAL A 21 9.814 -1.709 0.349 1.00 0.00 H ATOM 332 3HG2 VAL A 21 10.439 -1.509 -1.305 1.00 0.00 H ATOM 333 N ASN A 22 10.518 -6.363 0.315 1.00 0.00 N ATOM 334 CA ASN A 22 10.368 -7.810 0.225 1.00 0.00 C ATOM 335 C ASN A 22 11.529 -8.437 -0.537 1.00 0.00 C ATOM 336 O ASN A 22 11.361 -9.445 -1.223 1.00 0.00 O ATOM 337 CB ASN A 22 9.045 -8.171 -0.425 1.00 0.00 C ATOM 338 CG ASN A 22 7.862 -7.734 0.393 1.00 0.00 C ATOM 339 OD1 ASN A 22 7.969 -7.541 1.609 1.00 0.00 O ATOM 340 ND2 ASN A 22 6.734 -7.574 -0.252 1.00 0.00 N ATOM 341 H ASN A 22 10.530 -5.925 1.225 1.00 0.00 H ATOM 342 HA ASN A 22 10.384 -8.223 1.235 1.00 0.00 H ATOM 343 1HB ASN A 22 8.984 -7.706 -1.409 1.00 0.00 H ATOM 344 2HB ASN A 22 8.994 -9.251 -0.569 1.00 0.00 H ATOM 345 1HD2 ASN A 22 5.913 -7.284 0.241 1.00 0.00 H ATOM 346 2HD2 ASN A 22 6.693 -7.741 -1.236 1.00 0.00 H ATOM 347 N GLY A 23 12.707 -7.835 -0.412 1.00 0.00 N ATOM 348 CA GLY A 23 13.925 -8.412 -0.967 1.00 0.00 C ATOM 349 C GLY A 23 14.108 -8.013 -2.426 1.00 0.00 C ATOM 350 O GLY A 23 15.062 -8.435 -3.080 1.00 0.00 O ATOM 351 H GLY A 23 12.759 -6.955 0.081 1.00 0.00 H ATOM 352 1HA GLY A 23 14.784 -8.079 -0.384 1.00 0.00 H ATOM 353 2HA GLY A 23 13.883 -9.498 -0.886 1.00 0.00 H ATOM 354 N ILE A 24 13.188 -7.198 -2.931 1.00 0.00 N ATOM 355 CA ILE A 24 13.216 -6.783 -4.328 1.00 0.00 C ATOM 356 C ILE A 24 13.507 -5.293 -4.455 1.00 0.00 C ATOM 357 O ILE A 24 12.738 -4.458 -3.980 1.00 0.00 O ATOM 358 CB ILE A 24 11.882 -7.107 -5.024 1.00 0.00 C ATOM 359 CG1 ILE A 24 11.581 -8.605 -4.931 1.00 0.00 C ATOM 360 CG2 ILE A 24 11.917 -6.658 -6.477 1.00 0.00 C ATOM 361 CD1 ILE A 24 10.192 -8.979 -5.395 1.00 0.00 C ATOM 362 H ILE A 24 12.451 -6.857 -2.331 1.00 0.00 H ATOM 363 HA ILE A 24 14.005 -7.338 -4.838 1.00 0.00 H ATOM 364 HB ILE A 24 11.070 -6.590 -4.513 1.00 0.00 H ATOM 365 1HG1 ILE A 24 12.302 -9.159 -5.531 1.00 0.00 H ATOM 366 2HG1 ILE A 24 11.694 -8.935 -3.898 1.00 0.00 H ATOM 367 1HG2 ILE A 24 10.966 -6.895 -6.954 1.00 0.00 H ATOM 368 2HG2 ILE A 24 12.086 -5.583 -6.521 1.00 0.00 H ATOM 369 3HG2 ILE A 24 12.723 -7.174 -6.998 1.00 0.00 H ATOM 370 1HD1 ILE A 24 10.053 -10.056 -5.298 1.00 0.00 H ATOM 371 2HD1 ILE A 24 9.452 -8.462 -4.783 1.00 0.00 H ATOM 372 3HD1 ILE A 24 10.067 -8.690 -6.438 1.00 0.00 H ATOM 373 N THR A 25 14.623 -4.966 -5.098 1.00 0.00 N ATOM 374 CA THR A 25 14.988 -3.575 -5.339 1.00 0.00 C ATOM 375 C THR A 25 14.378 -3.062 -6.637 1.00 0.00 C ATOM 376 O THR A 25 14.592 -3.636 -7.704 1.00 0.00 O ATOM 377 CB THR A 25 16.518 -3.403 -5.383 1.00 0.00 C ATOM 378 OG1 THR A 25 17.085 -3.824 -4.136 1.00 0.00 O ATOM 379 CG2 THR A 25 16.885 -1.949 -5.638 1.00 0.00 C ATOM 380 H THR A 25 15.233 -5.699 -5.429 1.00 0.00 H ATOM 381 HA THR A 25 14.612 -2.970 -4.513 1.00 0.00 H ATOM 382 HB THR A 25 16.930 -4.021 -6.181 1.00 0.00 H ATOM 383 HG1 THR A 25 16.728 -3.286 -3.425 1.00 0.00 H ATOM 384 1HG2 THR A 25 17.969 -1.847 -5.666 1.00 0.00 H ATOM 385 2HG2 THR A 25 16.465 -1.630 -6.591 1.00 0.00 H ATOM 386 3HG2 THR A 25 16.483 -1.328 -4.838 1.00 0.00 H ATOM 387 N VAL A 26 13.617 -1.977 -6.539 1.00 0.00 N ATOM 388 CA VAL A 26 12.942 -1.407 -7.699 1.00 0.00 C ATOM 389 C VAL A 26 13.235 0.082 -7.830 1.00 0.00 C ATOM 390 O VAL A 26 13.199 0.821 -6.846 1.00 0.00 O ATOM 391 CB VAL A 26 11.421 -1.620 -7.589 1.00 0.00 C ATOM 392 CG1 VAL A 26 10.712 -1.029 -8.799 1.00 0.00 C ATOM 393 CG2 VAL A 26 11.114 -3.104 -7.456 1.00 0.00 C ATOM 394 H VAL A 26 13.503 -1.536 -5.637 1.00 0.00 H ATOM 395 HA VAL A 26 13.303 -1.915 -8.594 1.00 0.00 H ATOM 396 HB VAL A 26 11.051 -1.091 -6.710 1.00 0.00 H ATOM 397 1HG1 VAL A 26 9.637 -1.188 -8.705 1.00 0.00 H ATOM 398 2HG1 VAL A 26 10.916 0.040 -8.854 1.00 0.00 H ATOM 399 3HG1 VAL A 26 11.072 -1.515 -9.705 1.00 0.00 H ATOM 400 1HG2 VAL A 26 10.036 -3.247 -7.379 1.00 0.00 H ATOM 401 2HG2 VAL A 26 11.488 -3.633 -8.333 1.00 0.00 H ATOM 402 3HG2 VAL A 26 11.597 -3.497 -6.561 1.00 0.00 H ATOM 403 N ARG A 27 13.526 0.517 -9.052 1.00 0.00 N ATOM 404 CA ARG A 27 13.645 1.939 -9.350 1.00 0.00 C ATOM 405 C ARG A 27 12.476 2.423 -10.199 1.00 0.00 C ATOM 406 O ARG A 27 12.133 1.808 -11.208 1.00 0.00 O ATOM 407 CB ARG A 27 14.950 2.226 -10.079 1.00 0.00 C ATOM 408 CG ARG A 27 15.174 3.686 -10.438 1.00 0.00 C ATOM 409 CD ARG A 27 16.522 3.907 -11.022 1.00 0.00 C ATOM 410 NE ARG A 27 17.577 3.708 -10.042 1.00 0.00 N ATOM 411 CZ ARG A 27 18.895 3.781 -10.311 1.00 0.00 C ATOM 412 NH1 ARG A 27 19.303 4.050 -11.532 1.00 0.00 N ATOM 413 NH2 ARG A 27 19.779 3.584 -9.348 1.00 0.00 N ATOM 414 H ARG A 27 13.668 -0.155 -9.792 1.00 0.00 H ATOM 415 HA ARG A 27 13.646 2.491 -8.410 1.00 0.00 H ATOM 416 1HB ARG A 27 15.788 1.905 -9.462 1.00 0.00 H ATOM 417 2HB ARG A 27 14.985 1.649 -11.003 1.00 0.00 H ATOM 418 1HG ARG A 27 14.428 4.000 -11.168 1.00 0.00 H ATOM 419 2HG ARG A 27 15.085 4.299 -9.540 1.00 0.00 H ATOM 420 1HD ARG A 27 16.682 3.207 -11.842 1.00 0.00 H ATOM 421 2HD ARG A 27 16.593 4.927 -11.397 1.00 0.00 H ATOM 422 HE ARG A 27 17.303 3.499 -9.091 1.00 0.00 H ATOM 423 1HH1 ARG A 27 18.627 4.201 -12.268 1.00 0.00 H ATOM 424 2HH1 ARG A 27 20.290 4.106 -11.734 1.00 0.00 H ATOM 425 1HH2 ARG A 27 19.466 3.377 -8.410 1.00 0.00 H ATOM 426 2HH2 ARG A 27 20.766 3.639 -9.550 1.00 0.00 H ATOM 427 N VAL A 28 11.869 3.530 -9.784 1.00 0.00 N ATOM 428 CA VAL A 28 10.687 4.054 -10.459 1.00 0.00 C ATOM 429 C VAL A 28 10.947 5.445 -11.023 1.00 0.00 C ATOM 430 O VAL A 28 11.482 6.314 -10.335 1.00 0.00 O ATOM 431 CB VAL A 28 9.497 4.113 -9.483 1.00 0.00 C ATOM 432 CG1 VAL A 28 8.294 4.764 -10.149 1.00 0.00 C ATOM 433 CG2 VAL A 28 9.153 2.712 -9.001 1.00 0.00 C ATOM 434 H VAL A 28 12.234 4.020 -8.980 1.00 0.00 H ATOM 435 HA VAL A 28 10.433 3.385 -11.281 1.00 0.00 H ATOM 436 HB VAL A 28 9.768 4.735 -8.630 1.00 0.00 H ATOM 437 1HG1 VAL A 28 7.462 4.798 -9.445 1.00 0.00 H ATOM 438 2HG1 VAL A 28 8.552 5.778 -10.454 1.00 0.00 H ATOM 439 3HG1 VAL A 28 8.004 4.184 -11.025 1.00 0.00 H ATOM 440 1HG2 VAL A 28 8.311 2.761 -8.311 1.00 0.00 H ATOM 441 2HG2 VAL A 28 8.887 2.088 -9.854 1.00 0.00 H ATOM 442 3HG2 VAL A 28 10.015 2.281 -8.491 1.00 0.00 H ATOM 443 N GLN A 29 10.564 5.649 -12.279 1.00 0.00 N ATOM 444 CA GLN A 29 10.640 6.967 -12.897 1.00 0.00 C ATOM 445 C GLN A 29 9.381 7.272 -13.701 1.00 0.00 C ATOM 446 O GLN A 29 8.962 8.425 -13.802 1.00 0.00 O ATOM 447 CB GLN A 29 11.872 7.066 -13.800 1.00 0.00 C ATOM 448 CG GLN A 29 13.195 7.017 -13.055 1.00 0.00 C ATOM 449 CD GLN A 29 14.389 7.092 -13.988 1.00 0.00 C ATOM 450 OE1 GLN A 29 14.407 6.457 -15.046 1.00 0.00 O ATOM 451 NE2 GLN A 29 15.393 7.870 -13.601 1.00 0.00 N ATOM 452 H GLN A 29 10.212 4.872 -12.818 1.00 0.00 H ATOM 453 HA GLN A 29 10.741 7.714 -12.109 1.00 0.00 H ATOM 454 1HB GLN A 29 11.862 6.248 -14.521 1.00 0.00 H ATOM 455 2HB GLN A 29 11.838 7.998 -14.363 1.00 0.00 H ATOM 456 1HG GLN A 29 13.245 7.862 -12.368 1.00 0.00 H ATOM 457 2HG GLN A 29 13.253 6.081 -12.499 1.00 0.00 H ATOM 458 1HE2 GLN A 29 16.208 7.958 -14.176 1.00 0.00 H ATOM 459 2HE2 GLN A 29 15.337 8.367 -12.736 1.00 0.00 H ATOM 460 N THR A 30 8.783 6.231 -14.270 1.00 0.00 N ATOM 461 CA THR A 30 7.560 6.383 -15.048 1.00 0.00 C ATOM 462 C THR A 30 6.356 5.832 -14.295 1.00 0.00 C ATOM 463 O THR A 30 6.504 5.174 -13.265 1.00 0.00 O ATOM 464 CB THR A 30 7.681 5.681 -16.414 1.00 0.00 C ATOM 465 OG1 THR A 30 7.760 4.263 -16.220 1.00 0.00 O ATOM 466 CG2 THR A 30 8.923 6.158 -17.150 1.00 0.00 C ATOM 467 H THR A 30 9.186 5.311 -14.161 1.00 0.00 H ATOM 468 HA THR A 30 7.398 7.445 -15.237 1.00 0.00 H ATOM 469 HB THR A 30 6.800 5.903 -17.016 1.00 0.00 H ATOM 470 HG1 THR A 30 8.416 3.895 -16.817 1.00 0.00 H ATOM 471 1HG2 THR A 30 8.992 5.652 -18.113 1.00 0.00 H ATOM 472 2HG2 THR A 30 8.861 7.234 -17.310 1.00 0.00 H ATOM 473 3HG2 THR A 30 9.807 5.930 -16.557 1.00 0.00 H ATOM 474 N GLN A 31 5.164 6.104 -14.815 1.00 0.00 N ATOM 475 CA GLN A 31 3.934 5.593 -14.220 1.00 0.00 C ATOM 476 C GLN A 31 3.887 4.072 -14.272 1.00 0.00 C ATOM 477 O GLN A 31 3.407 3.424 -13.342 1.00 0.00 O ATOM 478 CB GLN A 31 2.711 6.178 -14.933 1.00 0.00 C ATOM 479 CG GLN A 31 1.382 5.783 -14.313 1.00 0.00 C ATOM 480 CD GLN A 31 1.197 6.360 -12.922 1.00 0.00 C ATOM 481 OE1 GLN A 31 1.182 7.580 -12.738 1.00 0.00 O ATOM 482 NE2 GLN A 31 1.056 5.485 -11.934 1.00 0.00 N ATOM 483 H GLN A 31 5.108 6.679 -15.643 1.00 0.00 H ATOM 484 HA GLN A 31 3.897 5.909 -13.177 1.00 0.00 H ATOM 485 1HB GLN A 31 2.774 7.266 -14.929 1.00 0.00 H ATOM 486 2HB GLN A 31 2.707 5.854 -15.973 1.00 0.00 H ATOM 487 1HG GLN A 31 0.574 6.151 -14.946 1.00 0.00 H ATOM 488 2HG GLN A 31 1.335 4.697 -14.241 1.00 0.00 H ATOM 489 1HE2 GLN A 31 0.931 5.806 -10.994 1.00 0.00 H ATOM 490 2HE2 GLN A 31 1.075 4.504 -12.127 1.00 0.00 H ATOM 491 N GLU A 32 4.389 3.506 -15.365 1.00 0.00 N ATOM 492 CA GLU A 32 4.413 2.059 -15.537 1.00 0.00 C ATOM 493 C GLU A 32 5.431 1.410 -14.607 1.00 0.00 C ATOM 494 O GLU A 32 5.225 0.296 -14.127 1.00 0.00 O ATOM 495 CB GLU A 32 4.733 1.699 -16.990 1.00 0.00 C ATOM 496 CG GLU A 32 3.663 2.113 -17.990 1.00 0.00 C ATOM 497 CD GLU A 32 2.342 1.437 -17.746 1.00 0.00 C ATOM 498 OE1 GLU A 32 2.328 0.239 -17.597 1.00 0.00 O ATOM 499 OE2 GLU A 32 1.346 2.120 -17.709 1.00 0.00 O ATOM 500 H GLU A 32 4.764 4.095 -16.095 1.00 0.00 H ATOM 501 HA GLU A 32 3.423 1.666 -15.300 1.00 0.00 H ATOM 502 1HB GLU A 32 5.668 2.175 -17.285 1.00 0.00 H ATOM 503 2HB GLU A 32 4.872 0.622 -17.075 1.00 0.00 H ATOM 504 1HG GLU A 32 3.522 3.192 -17.930 1.00 0.00 H ATOM 505 2HG GLU A 32 4.008 1.874 -18.995 1.00 0.00 H ATOM 506 N ALA A 33 6.529 2.115 -14.357 1.00 0.00 N ATOM 507 CA ALA A 33 7.521 1.669 -13.386 1.00 0.00 C ATOM 508 C ALA A 33 6.933 1.615 -11.982 1.00 0.00 C ATOM 509 O ALA A 33 7.246 0.717 -11.201 1.00 0.00 O ATOM 510 CB ALA A 33 8.739 2.581 -13.415 1.00 0.00 C ATOM 511 H ALA A 33 6.681 2.982 -14.852 1.00 0.00 H ATOM 512 HA ALA A 33 7.852 0.667 -13.665 1.00 0.00 H ATOM 513 1HB ALA A 33 9.470 2.235 -12.685 1.00 0.00 H ATOM 514 2HB ALA A 33 9.183 2.563 -14.410 1.00 0.00 H ATOM 515 3HB ALA A 33 8.436 3.598 -13.171 1.00 0.00 H ATOM 516 N ALA A 34 6.078 2.583 -11.667 1.00 0.00 N ATOM 517 CA ALA A 34 5.362 2.589 -10.397 1.00 0.00 C ATOM 518 C ALA A 34 4.446 1.377 -10.276 1.00 0.00 C ATOM 519 O ALA A 34 4.317 0.790 -9.201 1.00 0.00 O ATOM 520 CB ALA A 34 4.561 3.874 -10.247 1.00 0.00 C ATOM 521 H ALA A 34 5.921 3.334 -12.324 1.00 0.00 H ATOM 522 HA ALA A 34 6.092 2.558 -9.588 1.00 0.00 H ATOM 523 1HB ALA A 34 4.031 3.863 -9.294 1.00 0.00 H ATOM 524 2HB ALA A 34 5.236 4.729 -10.278 1.00 0.00 H ATOM 525 3HB ALA A 34 3.841 3.951 -11.061 1.00 0.00 H ATOM 526 N LYS A 35 3.813 1.007 -11.383 1.00 0.00 N ATOM 527 CA LYS A 35 2.999 -0.202 -11.433 1.00 0.00 C ATOM 528 C LYS A 35 3.847 -1.446 -11.200 1.00 0.00 C ATOM 529 O LYS A 35 3.447 -2.354 -10.471 1.00 0.00 O ATOM 530 CB LYS A 35 2.273 -0.304 -12.775 1.00 0.00 C ATOM 531 CG LYS A 35 1.186 0.741 -12.983 1.00 0.00 C ATOM 532 CD LYS A 35 0.572 0.631 -14.371 1.00 0.00 C ATOM 533 CE LYS A 35 -0.430 1.748 -14.624 1.00 0.00 C ATOM 534 NZ LYS A 35 -0.963 1.714 -16.013 1.00 0.00 N ATOM 535 H LYS A 35 3.897 1.578 -12.212 1.00 0.00 H ATOM 536 HA LYS A 35 2.243 -0.142 -10.650 1.00 0.00 H ATOM 537 1HB LYS A 35 2.994 -0.204 -13.587 1.00 0.00 H ATOM 538 2HB LYS A 35 1.813 -1.288 -12.866 1.00 0.00 H ATOM 539 1HG LYS A 35 0.402 0.606 -12.237 1.00 0.00 H ATOM 540 2HG LYS A 35 1.611 1.737 -12.861 1.00 0.00 H ATOM 541 1HD LYS A 35 1.360 0.685 -15.123 1.00 0.00 H ATOM 542 2HD LYS A 35 0.065 -0.328 -14.469 1.00 0.00 H ATOM 543 1HE LYS A 35 -1.262 1.654 -13.927 1.00 0.00 H ATOM 544 2HE LYS A 35 0.049 2.712 -14.456 1.00 0.00 H ATOM 545 1HZ LYS A 35 -1.622 2.469 -16.140 1.00 0.00 H ATOM 546 2HZ LYS A 35 -0.201 1.818 -16.669 1.00 0.00 H ATOM 547 3HZ LYS A 35 -1.427 0.831 -16.175 1.00 0.00 H ATOM 548 N GLU A 36 5.020 -1.482 -11.822 1.00 0.00 N ATOM 549 CA GLU A 36 5.960 -2.579 -11.624 1.00 0.00 C ATOM 550 C GLU A 36 6.301 -2.752 -10.150 1.00 0.00 C ATOM 551 O GLU A 36 6.256 -3.862 -9.619 1.00 0.00 O ATOM 552 CB GLU A 36 7.238 -2.338 -12.429 1.00 0.00 C ATOM 553 CG GLU A 36 8.289 -3.430 -12.282 1.00 0.00 C ATOM 554 CD GLU A 36 9.526 -3.164 -13.094 1.00 0.00 C ATOM 555 OE1 GLU A 36 9.557 -2.178 -13.790 1.00 0.00 O ATOM 556 OE2 GLU A 36 10.443 -3.949 -13.017 1.00 0.00 O ATOM 557 H GLU A 36 5.267 -0.730 -12.449 1.00 0.00 H ATOM 558 HA GLU A 36 5.499 -3.499 -11.987 1.00 0.00 H ATOM 559 1HB GLU A 36 6.992 -2.252 -13.488 1.00 0.00 H ATOM 560 2HB GLU A 36 7.690 -1.395 -12.121 1.00 0.00 H ATOM 561 1HG GLU A 36 8.568 -3.512 -11.232 1.00 0.00 H ATOM 562 2HG GLU A 36 7.855 -4.380 -12.590 1.00 0.00 H ATOM 563 N LEU A 37 6.643 -1.649 -9.493 1.00 0.00 N ATOM 564 CA LEU A 37 6.915 -1.662 -8.061 1.00 0.00 C ATOM 565 C LEU A 37 5.813 -2.386 -7.298 1.00 0.00 C ATOM 566 O LEU A 37 6.075 -3.340 -6.565 1.00 0.00 O ATOM 567 CB LEU A 37 7.053 -0.229 -7.534 1.00 0.00 C ATOM 568 CG LEU A 37 7.221 -0.091 -6.015 1.00 0.00 C ATOM 569 CD1 LEU A 37 8.538 -0.725 -5.590 1.00 0.00 C ATOM 570 CD2 LEU A 37 7.172 1.379 -5.630 1.00 0.00 C ATOM 571 H LEU A 37 6.716 -0.778 -10.000 1.00 0.00 H ATOM 572 HA LEU A 37 7.857 -2.185 -7.893 1.00 0.00 H ATOM 573 1HB LEU A 37 7.920 0.232 -8.005 1.00 0.00 H ATOM 574 2HB LEU A 37 6.166 0.335 -7.822 1.00 0.00 H ATOM 575 HG LEU A 37 6.415 -0.626 -5.511 1.00 0.00 H ATOM 576 1HD1 LEU A 37 8.657 -0.628 -4.510 1.00 0.00 H ATOM 577 2HD1 LEU A 37 8.538 -1.781 -5.860 1.00 0.00 H ATOM 578 3HD1 LEU A 37 9.363 -0.222 -6.092 1.00 0.00 H ATOM 579 1HD2 LEU A 37 7.290 1.477 -4.550 1.00 0.00 H ATOM 580 2HD2 LEU A 37 7.978 1.914 -6.133 1.00 0.00 H ATOM 581 3HD2 LEU A 37 6.213 1.803 -5.930 1.00 0.00 H ATOM 582 N GLU A 38 4.578 -1.927 -7.474 1.00 0.00 N ATOM 583 CA GLU A 38 3.439 -2.504 -6.771 1.00 0.00 C ATOM 584 C GLU A 38 3.361 -4.009 -6.990 1.00 0.00 C ATOM 585 O GLU A 38 3.249 -4.780 -6.037 1.00 0.00 O ATOM 586 CB GLU A 38 2.137 -1.844 -7.233 1.00 0.00 C ATOM 587 CG GLU A 38 0.891 -2.340 -6.514 1.00 0.00 C ATOM 588 CD GLU A 38 -0.354 -1.605 -6.926 1.00 0.00 C ATOM 589 OE1 GLU A 38 -0.249 -0.686 -7.702 1.00 0.00 O ATOM 590 OE2 GLU A 38 -1.412 -1.964 -6.465 1.00 0.00 O ATOM 591 H GLU A 38 4.426 -1.158 -8.111 1.00 0.00 H ATOM 592 HA GLU A 38 3.556 -2.311 -5.704 1.00 0.00 H ATOM 593 1HB GLU A 38 2.203 -0.766 -7.084 1.00 0.00 H ATOM 594 2HB GLU A 38 1.999 -2.019 -8.300 1.00 0.00 H ATOM 595 1HG GLU A 38 0.760 -3.401 -6.726 1.00 0.00 H ATOM 596 2HG GLU A 38 1.035 -2.227 -5.440 1.00 0.00 H ATOM 597 N LYS A 39 3.421 -4.423 -8.252 1.00 0.00 N ATOM 598 CA LYS A 39 3.255 -5.827 -8.607 1.00 0.00 C ATOM 599 C LYS A 39 4.321 -6.692 -7.946 1.00 0.00 C ATOM 600 O LYS A 39 4.026 -7.769 -7.427 1.00 0.00 O ATOM 601 CB LYS A 39 3.300 -6.005 -10.125 1.00 0.00 C ATOM 602 CG LYS A 39 2.090 -5.445 -10.860 1.00 0.00 C ATOM 603 CD LYS A 39 2.233 -5.609 -12.366 1.00 0.00 C ATOM 604 CE LYS A 39 1.043 -5.014 -13.104 1.00 0.00 C ATOM 605 NZ LYS A 39 1.181 -5.146 -14.580 1.00 0.00 N ATOM 606 H LYS A 39 3.586 -3.746 -8.984 1.00 0.00 H ATOM 607 HA LYS A 39 2.274 -6.157 -8.263 1.00 0.00 H ATOM 608 1HB LYS A 39 4.190 -5.515 -10.523 1.00 0.00 H ATOM 609 2HB LYS A 39 3.376 -7.065 -10.365 1.00 0.00 H ATOM 610 1HG LYS A 39 1.190 -5.965 -10.530 1.00 0.00 H ATOM 611 2HG LYS A 39 1.981 -4.386 -10.628 1.00 0.00 H ATOM 612 1HD LYS A 39 3.144 -5.112 -12.702 1.00 0.00 H ATOM 613 2HD LYS A 39 2.307 -6.669 -12.611 1.00 0.00 H ATOM 614 1HE LYS A 39 0.131 -5.518 -12.790 1.00 0.00 H ATOM 615 2HE LYS A 39 0.952 -3.957 -12.855 1.00 0.00 H ATOM 616 1HZ LYS A 39 0.374 -4.740 -15.032 1.00 0.00 H ATOM 617 2HZ LYS A 39 2.015 -4.665 -14.886 1.00 0.00 H ATOM 618 3HZ LYS A 39 1.247 -6.124 -14.826 1.00 0.00 H ATOM 619 N LEU A 40 5.561 -6.214 -7.969 1.00 0.00 N ATOM 620 CA LEU A 40 6.684 -6.973 -7.432 1.00 0.00 C ATOM 621 C LEU A 40 6.596 -7.089 -5.916 1.00 0.00 C ATOM 622 O LEU A 40 7.012 -8.091 -5.335 1.00 0.00 O ATOM 623 CB LEU A 40 8.009 -6.308 -7.824 1.00 0.00 C ATOM 624 CG LEU A 40 8.386 -6.401 -9.309 1.00 0.00 C ATOM 625 CD1 LEU A 40 9.617 -5.545 -9.575 1.00 0.00 C ATOM 626 CD2 LEU A 40 8.639 -7.854 -9.679 1.00 0.00 C ATOM 627 H LEU A 40 5.729 -5.302 -8.368 1.00 0.00 H ATOM 628 HA LEU A 40 6.661 -7.976 -7.861 1.00 0.00 H ATOM 629 1HB LEU A 40 7.960 -5.253 -7.561 1.00 0.00 H ATOM 630 2HB LEU A 40 8.813 -6.768 -7.249 1.00 0.00 H ATOM 631 HG LEU A 40 7.570 -6.009 -9.916 1.00 0.00 H ATOM 632 1HD1 LEU A 40 9.885 -5.611 -10.629 1.00 0.00 H ATOM 633 2HD1 LEU A 40 9.401 -4.508 -9.320 1.00 0.00 H ATOM 634 3HD1 LEU A 40 10.447 -5.904 -8.967 1.00 0.00 H ATOM 635 1HD2 LEU A 40 8.906 -7.920 -10.734 1.00 0.00 H ATOM 636 2HD2 LEU A 40 9.456 -8.247 -9.072 1.00 0.00 H ATOM 637 3HD2 LEU A 40 7.738 -8.439 -9.495 1.00 0.00 H ATOM 638 N ILE A 41 6.052 -6.057 -5.279 1.00 0.00 N ATOM 639 CA ILE A 41 5.836 -6.074 -3.837 1.00 0.00 C ATOM 640 C ILE A 41 4.767 -7.088 -3.452 1.00 0.00 C ATOM 641 O ILE A 41 4.943 -7.864 -2.513 1.00 0.00 O ATOM 642 CB ILE A 41 5.430 -4.679 -3.327 1.00 0.00 C ATOM 643 CG1 ILE A 41 6.597 -3.698 -3.466 1.00 0.00 C ATOM 644 CG2 ILE A 41 4.965 -4.757 -1.881 1.00 0.00 C ATOM 645 CD1 ILE A 41 6.219 -2.258 -3.205 1.00 0.00 C ATOM 646 H ILE A 41 5.782 -5.240 -5.808 1.00 0.00 H ATOM 647 HA ILE A 41 6.772 -6.350 -3.350 1.00 0.00 H ATOM 648 HB ILE A 41 4.617 -4.290 -3.939 1.00 0.00 H ATOM 649 1HG1 ILE A 41 7.389 -3.975 -2.770 1.00 0.00 H ATOM 650 2HG1 ILE A 41 7.010 -3.765 -4.473 1.00 0.00 H ATOM 651 1HG2 ILE A 41 4.682 -3.763 -1.536 1.00 0.00 H ATOM 652 2HG2 ILE A 41 4.106 -5.423 -1.810 1.00 0.00 H ATOM 653 3HG2 ILE A 41 5.774 -5.140 -1.259 1.00 0.00 H ATOM 654 1HD1 ILE A 41 7.098 -1.624 -3.323 1.00 0.00 H ATOM 655 2HD1 ILE A 41 5.451 -1.949 -3.915 1.00 0.00 H ATOM 656 3HD1 ILE A 41 5.835 -2.161 -2.191 1.00 0.00 H ATOM 657 N ARG A 42 3.658 -7.077 -4.183 1.00 0.00 N ATOM 658 CA ARG A 42 2.531 -7.951 -3.879 1.00 0.00 C ATOM 659 C ARG A 42 2.901 -9.415 -4.079 1.00 0.00 C ATOM 660 O ARG A 42 2.596 -10.263 -3.240 1.00 0.00 O ATOM 661 CB ARG A 42 1.336 -7.609 -4.757 1.00 0.00 C ATOM 662 CG ARG A 42 0.657 -6.289 -4.426 1.00 0.00 C ATOM 663 CD ARG A 42 -0.579 -6.092 -5.225 1.00 0.00 C ATOM 664 NE ARG A 42 -1.166 -4.780 -5.002 1.00 0.00 N ATOM 665 CZ ARG A 42 -1.899 -4.444 -3.923 1.00 0.00 C ATOM 666 NH1 ARG A 42 -2.126 -5.331 -2.980 1.00 0.00 N ATOM 667 NH2 ARG A 42 -2.390 -3.221 -3.813 1.00 0.00 N ATOM 668 H ARG A 42 3.593 -6.446 -4.969 1.00 0.00 H ATOM 669 HA ARG A 42 2.248 -7.801 -2.837 1.00 0.00 H ATOM 670 1HB ARG A 42 1.650 -7.566 -5.798 1.00 0.00 H ATOM 671 2HB ARG A 42 0.586 -8.395 -4.672 1.00 0.00 H ATOM 672 1HG ARG A 42 0.389 -6.272 -3.370 1.00 0.00 H ATOM 673 2HG ARG A 42 1.339 -5.465 -4.641 1.00 0.00 H ATOM 674 1HD ARG A 42 -0.346 -6.185 -6.285 1.00 0.00 H ATOM 675 2HD ARG A 42 -1.315 -6.846 -4.948 1.00 0.00 H ATOM 676 HE ARG A 42 -1.013 -4.071 -5.706 1.00 0.00 H ATOM 677 1HH1 ARG A 42 -1.751 -6.265 -3.064 1.00 0.00 H ATOM 678 2HH1 ARG A 42 -2.676 -5.078 -2.171 1.00 0.00 H ATOM 679 1HH2 ARG A 42 -2.215 -2.539 -4.538 1.00 0.00 H ATOM 680 2HH2 ARG A 42 -2.939 -2.969 -3.005 1.00 0.00 H ATOM 681 N ARG A 43 3.560 -9.707 -5.196 1.00 0.00 N ATOM 682 CA ARG A 43 3.934 -11.076 -5.530 1.00 0.00 C ATOM 683 C ARG A 43 5.323 -11.132 -6.151 1.00 0.00 C ATOM 684 O ARG A 43 5.759 -10.186 -6.808 1.00 0.00 O ATOM 685 OXT ARG A 43 6.009 -12.106 -6.002 1.00 0.00 O ATOM 686 CB ARG A 43 2.926 -11.686 -6.493 1.00 0.00 C ATOM 687 CG ARG A 43 1.535 -11.896 -5.915 1.00 0.00 C ATOM 688 CD ARG A 43 1.520 -12.979 -4.899 1.00 0.00 C ATOM 689 NE ARG A 43 0.176 -13.250 -4.415 1.00 0.00 N ATOM 690 CZ ARG A 43 -0.419 -12.589 -3.402 1.00 0.00 C ATOM 691 NH1 ARG A 43 0.222 -11.625 -2.780 1.00 0.00 N ATOM 692 NH2 ARG A 43 -1.647 -12.911 -3.036 1.00 0.00 N ATOM 693 H ARG A 43 3.808 -8.961 -5.829 1.00 0.00 H ATOM 694 HA ARG A 43 3.936 -11.667 -4.613 1.00 0.00 H ATOM 695 1HB ARG A 43 2.826 -11.046 -7.368 1.00 0.00 H ATOM 696 2HB ARG A 43 3.291 -12.655 -6.835 1.00 0.00 H ATOM 697 1HG ARG A 43 1.196 -10.975 -5.440 1.00 0.00 H ATOM 698 2HG ARG A 43 0.846 -12.167 -6.716 1.00 0.00 H ATOM 699 1HD ARG A 43 1.915 -13.895 -5.338 1.00 0.00 H ATOM 700 2HD ARG A 43 2.137 -12.689 -4.049 1.00 0.00 H ATOM 701 HE ARG A 43 -0.348 -13.985 -4.869 1.00 0.00 H ATOM 702 1HH1 ARG A 43 1.161 -11.379 -3.060 1.00 0.00 H ATOM 703 2HH1 ARG A 43 -0.225 -11.130 -2.021 1.00 0.00 H ATOM 704 1HH2 ARG A 43 -2.140 -13.652 -3.515 1.00 0.00 H ATOM 705 2HH2 ARG A 43 -2.093 -12.416 -2.278 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE nods_new_heeh_3.bp_pass_20151024235943_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_intra_sol_xover4 lk_ball_wtd fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 rama omega fa_dun p_aa_pp yhh_planarity ref total weights 1 0.55 1 0.005 1 1 1 1.25 1.17 1.17 1.17 1.1 1.25 0.25 0.625 0.7 0.4 0.625 1 NA pose -188.944 17.1451 89.0433 0.46444 6.40165 1.6705 -31.332 0 -21.7434 -4.86428 -2.92991 -15.2731 0 -5.63896 3.26857 48.1008 -9.16817 0.09664 8.71876 -104.984 ILE:NtermProteinFull_1 -4.65725 0.70286 -0.1541 0.02652 0.0772 -0.15016 0.1083 0 0 0 0 0 0 0 0.09226 0.43055 0 0 2.27849 -1.24533 GLU_2 -3.50301 0.24373 3.19332 0.00651 0.6399 0.0518 -1.51818 0 0 0 0 -0.64597 0 -0.28852 0.01033 2.8737 -0.21516 0 -2.28137 -1.43293 ALA_3 -4.6342 0.20184 0.57127 0.00083 0 -0.00777 0.09862 0 0 0 0 0 0 -0.24469 0 0 -0.25135 0 1.56209 -2.70335 VAL_4 -5.67214 0.74663 1.00067 0.02 0.02573 -0.04898 -0.13895 0 0 0 0 0 0 -0.08473 0.26489 0.12649 0.00516 0 2.2876 -1.46762 LYS_5 -4.71585 0.23619 4.08354 0.00641 0.07276 0.09495 -1.64827 0 0 0 0 -0.64597 0 -0.15013 0.02729 1.20971 -0.04917 0 -0.47142 -1.94997 GLU_6 -5.10697 0.26443 3.52315 0.00684 0.21466 0.0718 -1.36083 0 0 0 0 -0.50816 0 -0.28069 0.05127 2.66559 -0.15335 0 -2.28137 -2.89363 ALA_7 -5.65434 0.80665 1.25837 0.00079 0 -0.01463 -0.3593 0 0 0 0 0 0 -0.08651 0.0009 0 -0.1534 0 1.56209 -2.63938 GLN_8 -5.28294 0.25389 4.39797 0.00987 0.59986 0.40238 -1.66143 0 0 0 0 -2.48066 0 0.0095 0.06772 2.74215 -0.07987 0 -1.60738 -2.62894 LYS_9 -4.63368 0.25426 4.00917 0.00861 0.10011 -0.21908 -0.84988 0 0 0 0 0 0 -0.03071 0.03078 0.92256 -0.07257 0 -0.47142 -0.95185 ALA_10 -5.21806 0.43978 2.78202 0.00081 0 0.00891 -0.69852 0 0 0 0 0 0 -0.16639 0.0049 0 -0.21215 0 1.56209 -1.49662 VAL_11 -5.5058 0.53093 1.53892 0.02057 0.02506 -0.07399 -0.14118 0 0 0 0 0 0 0.04222 0.0121 0.07728 0.00285 0 2.2876 -1.18343 GLU_12 -3.33208 0.1145 2.78988 0.00688 0.22427 0.04567 -0.61515 0 0 0 0 -0.76569 0 -0.31136 0.01404 2.83811 -0.20415 0 -2.28137 -1.47646 GLU_13 -4.65307 0.17509 4.13691 0.00524 0.20549 -0.37765 -1.09023 0 0 0 0 0 0 -0.2662 0.05622 2.98536 -0.18545 0 -2.28137 -1.28965 GLY_14 -1.4461 0.132 1.46663 3e-05 0 -0.00253 -0.02629 0 0 0 0 0 0 -0.26616 0.00504 0 -0.99304 0 0.8121 -0.31833 LYS_15 -3.60709 0.10586 2.72765 0.0066 0.07299 -0.21386 -0.49473 0 0 0 0 0 0 -0.12641 0.04966 0.98409 -0.07434 0 -0.47142 -1.04099 THR_16 -2.11061 0.05417 0.85639 0.0093 0.03745 0.04566 -0.49474 0 0 0 0 -0.85845 0 -0.10497 3e-05 0.05013 -0.0522 0 0.72083 -1.84702 TYR_17 -8.1019 0.82453 2.351 0.02628 0.05486 0.19254 -2.08257 0 0 0 0 -0.50816 0 -0.18526 0.00156 2.70742 -0.16148 0.09664 0.21729 -4.56724 GLU_18 -3.43401 0.1346 2.37515 0.00595 0.20811 0.39365 -2.094 0 0 0 0 -0.92741 0 0.06744 0.00082 3.13516 -0.08536 0 -2.28137 -2.50129 ILE_19 -4.55681 0.38659 0.49029 0.02766 0.0339 0.03068 -0.59117 0 0 0 0 0 0 0.26045 0.25018 0.13521 0.02885 0 2.27849 -1.22568 THR_20 -3.02573 0.26569 1.405 0.00905 0.04019 0.07355 -0.66793 0 0 0 0 -0.65663 0 0.01702 0.00205 0.05169 -0.01569 0 0.72083 -1.78091 VAL_21 -4.52824 0.75264 0.58504 0.0156 0.0193 -0.11843 -0.61803 0 0 0 0 0 0 -0.22296 9e-05 0.08987 -0.50188 0 2.2876 -2.23939 ASN_22 -2.27115 0.32072 1.22499 0.00692 0.2364 -0.09619 -0.47127 0 0 0 -0.44828 0 0 -0.36674 0.29002 1.76802 -0.5968 0 -1.09912 -1.5025 GLY_23 -1.22329 0.22523 0.76491 1e-05 0 -0.00819 0.23907 0 0 0 0 0 0 -0.51179 0.03895 0 -0.99226 0 0.8121 -0.65527 ILE_24 -4.6604 0.40957 1.44352 0.02587 0.03854 -0.055 -0.27661 0 0 0 0 0 0 -0.24695 0.04573 0.244 -0.51119 0 2.27849 -1.26443 THR_25 -2.50642 0.15002 1.44448 0.00902 0.03796 0.02555 -0.67961 0 0 0 0 -0.65663 0 -0.09998 0.02129 0.05861 -0.0381 0 0.72083 -1.51297 VAL_26 -4.55552 0.79814 0.13183 0.01558 0.01821 -0.02631 -0.76717 0 0 0 0 0 0 -0.22426 0.45995 0.15206 -0.46495 0 2.2876 -2.17486 ARG_27 -3.48416 0.20143 2.05109 0.01617 0.29057 0.3806 -2.09971 0 0 0 0 -0.92741 0 -0.03358 0.08945 1.92164 0.09085 0 -0.4 -1.90304 VAL_28 -6.21303 0.91551 -0.37195 0.01671 0.01977 -0.01284 -0.76147 0 0 0 0 0 0 -0.26103 0.21244 0.11019 -0.46979 0 2.2876 -4.52789 GLN_29 -2.75845 0.16633 1.15676 0.00541 0.15719 0.04726 0.09349 0 0 0 0 -0.85845 0 0.43682 0.00597 2.41763 -0.50455 0 -1.60738 -1.24197 THR_30 -3.73609 0.19818 2.22277 0.00725 0.06185 0.03091 -0.22664 0 0 0 -0.73023 0 0 -0.12571 0.03453 0.06298 -0.51998 0 0.72083 -1.99935 GLN_31 -4.22854 0.23504 2.63159 0.00955 0.64009 0.20898 -0.94256 0 0 0 0 -1.71497 0 -0.20608 0.00096 2.5381 -0.1747 0 -1.60738 -2.60993 GLU_32 -4.01375 0.27175 3.85161 0.0065 0.63866 0.13742 -1.68447 0 0 0 0 -0.68325 0 -0.30432 0.22474 2.89804 -0.21169 0 -2.28137 -1.15014 ALA_33 -4.9119 0.47176 2.07443 0.00084 0 0.0453 -0.28904 0 0 0 -0.73023 0 0 -0.2654 0.15813 0 -0.23251 0 1.56209 -2.11653 ALA_34 -4.81651 0.44844 1.51446 0.00083 0 -0.05617 -0.25277 0 0 0 0 0 0 -0.25175 0.18131 0 -0.23719 0 1.56209 -1.90727 LYS_35 -5.46642 0.33472 4.59944 0.00652 0.07537 0.09017 -1.73262 0 0 0 0 -0.68325 0 -0.23598 0.07912 1.15189 -0.05734 0 -0.47142 -2.30982 GLU_36 -4.68639 0.40972 3.08916 0.00973 0.26676 0.01732 -0.49815 0 0 0 0 0 0 -0.11922 0.08723 2.63179 -0.12634 0 -2.28137 -1.19977 LEU_37 -7.62409 1.31512 0.18414 0.01448 0.05113 -0.01006 -0.37784 0 0 0 0 0 0 0.26917 0.02262 0.3338 -0.11865 0 1.68043 -4.25973 GLU_38 -5.98469 0.50425 3.80921 0.00888 0.25165 0.31169 -1.5993 0 0 0 0 -0.87605 0 -0.05824 0.14199 2.59215 -0.12435 0 -2.28137 -3.30418 LYS_39 -4.10885 0.1605 3.15951 0.00635 0.07233 -0.02467 -0.1932 0 0 0 0 0 0 -0.21832 0.06167 1.07409 -0.05803 0 -0.47142 -0.54004 LEU_40 -5.12931 0.47583 1.89338 0.01411 0.03085 0.04492 0.09059 0 0 0 0 0 0 -0.18241 0.08509 0.19562 -0.15776 0 1.68043 -0.95865 ILE_41 -6.12158 1.03074 0.24188 0.02952 0.03473 0.03179 -0.10605 0 0 0 -0.44828 0 0 -0.04007 0.05821 0.14339 -0.16631 0 2.27849 -3.03353 ARG_42 -4.44621 0.2748 3.53286 0.01522 0.23127 0.32877 -1.73474 0 0 0 -0.28644 -0.87605 0 -0.17405 0.02704 2.25751 -0.07281 0 -0.4 -1.32283 ARG:CtermProteinFull_43 -2.61759 0.20049 3.00503 0.01859 0.5965 0.07476 -0.11747 0 0 0 -0.28644 0 0 0 0 1.52419 0 0 -0.4 1.99805 #END_POSE_ENERGIES_TABLE nods_new_heeh_3.bp_pass_20151024235943_0001.pdb AlaCount 5 bb -0.113097 buried_minus_exposed 3510.88 buried_np 5137.94 buried_over_exposed 3.15779 cavity_volume 0 contact_all 244 contact_core_SASA 244 contact_core_SCN 122 degree 10.1628 degree_core_SASA 10.1628 degree_core_SCN 10.1628 exposed_hydrophobics 1627.06 exposed_polars 1530.43 exposed_total 3157.48 fxn_exposed_is_np 0.515302 holes -1.15474 mismatch_probability 0.234784 one_core_each 1 pack 0.720004 percent_core_SASA 0.116252 percent_core_SCN 0.139502 res_count_core_SASA 5 res_count_core_SCN 6 sidechain_neighbors -93.5166 ss_sc 0.75836 two_core_each 0.5 unsat_hbond 4
HEEH_rd4_0094.pdb
ATOM 1 N ILE A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA ILE A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C ILE A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O ILE A 1 2.833 1.776 -0.842 1.00 0.00 O ATOM 5 CB ILE A 1 2.007 -0.764 -1.218 1.00 0.00 C ATOM 6 CG1 ILE A 1 1.569 -0.084 -2.518 1.00 0.00 C ATOM 7 CG2 ILE A 1 1.545 -2.213 -1.190 1.00 0.00 C ATOM 8 CD1 ILE A 1 2.269 -0.610 -3.749 1.00 0.00 C ATOM 9 1H ILE A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 10 2H ILE A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 11 3H ILE A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 12 HA ILE A 1 1.804 -0.509 0.900 1.00 0.00 H ATOM 13 HB ILE A 1 3.096 -0.740 -1.202 1.00 0.00 H ATOM 14 1HG1 ILE A 1 0.496 -0.215 -2.653 1.00 0.00 H ATOM 15 2HG1 ILE A 1 1.760 0.988 -2.450 1.00 0.00 H ATOM 16 1HG2 ILE A 1 1.941 -2.738 -2.059 1.00 0.00 H ATOM 17 2HG2 ILE A 1 1.905 -2.692 -0.281 1.00 0.00 H ATOM 18 3HG2 ILE A 1 0.455 -2.248 -1.212 1.00 0.00 H ATOM 19 1HD1 ILE A 1 1.906 -0.079 -4.630 1.00 0.00 H ATOM 20 2HD1 ILE A 1 3.344 -0.456 -3.651 1.00 0.00 H ATOM 21 3HD1 ILE A 1 2.063 -1.674 -3.858 1.00 0.00 H ATOM 22 N GLU A 2 1.548 2.228 0.949 1.00 0.00 N ATOM 23 CA GLU A 2 1.971 3.620 1.041 1.00 0.00 C ATOM 24 C GLU A 2 3.464 3.726 1.322 1.00 0.00 C ATOM 25 O GLU A 2 4.134 4.636 0.834 1.00 0.00 O ATOM 26 CB GLU A 2 1.184 4.345 2.136 1.00 0.00 C ATOM 27 CG GLU A 2 -0.295 4.534 1.827 1.00 0.00 C ATOM 28 CD GLU A 2 -0.536 5.458 0.666 1.00 0.00 C ATOM 29 OE1 GLU A 2 0.003 6.539 0.669 1.00 0.00 O ATOM 30 OE2 GLU A 2 -1.261 5.083 -0.226 1.00 0.00 O ATOM 31 H GLU A 2 0.889 1.868 1.624 1.00 0.00 H ATOM 32 HA GLU A 2 1.758 4.110 0.090 1.00 0.00 H ATOM 33 1HB GLU A 2 1.262 3.788 3.069 1.00 0.00 H ATOM 34 2HB GLU A 2 1.619 5.330 2.305 1.00 0.00 H ATOM 35 1HG GLU A 2 -0.735 3.563 1.601 1.00 0.00 H ATOM 36 2HG GLU A 2 -0.792 4.931 2.711 1.00 0.00 H ATOM 37 N GLU A 3 3.981 2.789 2.110 1.00 0.00 N ATOM 38 CA GLU A 3 5.399 2.768 2.447 1.00 0.00 C ATOM 39 C GLU A 3 6.258 2.571 1.204 1.00 0.00 C ATOM 40 O GLU A 3 7.336 3.153 1.084 1.00 0.00 O ATOM 41 CB GLU A 3 5.690 1.660 3.461 1.00 0.00 C ATOM 42 CG GLU A 3 5.158 1.933 4.861 1.00 0.00 C ATOM 43 CD GLU A 3 5.307 0.755 5.783 1.00 0.00 C ATOM 44 OE1 GLU A 3 4.976 -0.335 5.382 1.00 0.00 O ATOM 45 OE2 GLU A 3 5.752 0.946 6.890 1.00 0.00 O ATOM 46 H GLU A 3 3.375 2.074 2.485 1.00 0.00 H ATOM 47 HA GLU A 3 5.660 3.723 2.905 1.00 0.00 H ATOM 48 1HB GLU A 3 5.251 0.724 3.113 1.00 0.00 H ATOM 49 2HB GLU A 3 6.767 1.509 3.536 1.00 0.00 H ATOM 50 1HG GLU A 3 5.696 2.781 5.284 1.00 0.00 H ATOM 51 2HG GLU A 3 4.105 2.204 4.792 1.00 0.00 H ATOM 52 N VAL A 4 5.773 1.747 0.282 1.00 0.00 N ATOM 53 CA VAL A 4 6.472 1.509 -0.976 1.00 0.00 C ATOM 54 C VAL A 4 6.566 2.785 -1.803 1.00 0.00 C ATOM 55 O VAL A 4 7.645 3.160 -2.263 1.00 0.00 O ATOM 56 CB VAL A 4 5.747 0.424 -1.793 1.00 0.00 C ATOM 57 CG1 VAL A 4 6.333 0.332 -3.194 1.00 0.00 C ATOM 58 CG2 VAL A 4 5.845 -0.915 -1.078 1.00 0.00 C ATOM 59 H VAL A 4 4.899 1.272 0.456 1.00 0.00 H ATOM 60 HA VAL A 4 7.481 1.163 -0.751 1.00 0.00 H ATOM 61 HB VAL A 4 4.698 0.703 -1.901 1.00 0.00 H ATOM 62 1HG1 VAL A 4 5.808 -0.440 -3.758 1.00 0.00 H ATOM 63 2HG1 VAL A 4 6.219 1.290 -3.700 1.00 0.00 H ATOM 64 3HG1 VAL A 4 7.390 0.077 -3.130 1.00 0.00 H ATOM 65 1HG2 VAL A 4 5.330 -1.677 -1.661 1.00 0.00 H ATOM 66 2HG2 VAL A 4 6.894 -1.191 -0.965 1.00 0.00 H ATOM 67 3HG2 VAL A 4 5.382 -0.837 -0.094 1.00 0.00 H ATOM 68 N LYS A 5 5.431 3.450 -1.989 1.00 0.00 N ATOM 69 CA LYS A 5 5.369 4.642 -2.825 1.00 0.00 C ATOM 70 C LYS A 5 6.276 5.741 -2.286 1.00 0.00 C ATOM 71 O LYS A 5 6.944 6.438 -3.049 1.00 0.00 O ATOM 72 CB LYS A 5 3.930 5.151 -2.926 1.00 0.00 C ATOM 73 CG LYS A 5 3.009 4.273 -3.763 1.00 0.00 C ATOM 74 CD LYS A 5 1.652 4.929 -3.963 1.00 0.00 C ATOM 75 CE LYS A 5 0.838 4.924 -2.678 1.00 0.00 C ATOM 76 NZ LYS A 5 -0.528 5.478 -2.881 1.00 0.00 N ATOM 77 H LYS A 5 4.589 3.120 -1.539 1.00 0.00 H ATOM 78 HA LYS A 5 5.699 4.378 -3.830 1.00 0.00 H ATOM 79 1HB LYS A 5 3.500 5.230 -1.927 1.00 0.00 H ATOM 80 2HB LYS A 5 3.927 6.150 -3.363 1.00 0.00 H ATOM 81 1HG LYS A 5 3.465 4.094 -4.738 1.00 0.00 H ATOM 82 2HG LYS A 5 2.870 3.314 -3.265 1.00 0.00 H ATOM 83 1HD LYS A 5 1.790 5.960 -4.292 1.00 0.00 H ATOM 84 2HD LYS A 5 1.098 4.393 -4.734 1.00 0.00 H ATOM 85 1HE LYS A 5 0.751 3.903 -2.307 1.00 0.00 H ATOM 86 2HE LYS A 5 1.349 5.519 -1.921 1.00 0.00 H ATOM 87 1HZ LYS A 5 -1.034 5.457 -2.007 1.00 0.00 H ATOM 88 2HZ LYS A 5 -0.460 6.432 -3.208 1.00 0.00 H ATOM 89 3HZ LYS A 5 -1.019 4.922 -3.567 1.00 0.00 H ATOM 90 N LYS A 6 6.296 5.890 -0.966 1.00 0.00 N ATOM 91 CA LYS A 6 7.094 6.928 -0.324 1.00 0.00 C ATOM 92 C LYS A 6 8.583 6.628 -0.439 1.00 0.00 C ATOM 93 O LYS A 6 9.375 7.499 -0.799 1.00 0.00 O ATOM 94 CB LYS A 6 6.699 7.075 1.147 1.00 0.00 C ATOM 95 CG LYS A 6 5.327 7.696 1.371 1.00 0.00 C ATOM 96 CD LYS A 6 4.983 7.757 2.852 1.00 0.00 C ATOM 97 CE LYS A 6 3.595 8.338 3.075 1.00 0.00 C ATOM 98 NZ LYS A 6 3.238 8.387 4.519 1.00 0.00 N ATOM 99 H LYS A 6 5.744 5.269 -0.392 1.00 0.00 H ATOM 100 HA LYS A 6 6.889 7.878 -0.819 1.00 0.00 H ATOM 101 1HB LYS A 6 6.705 6.095 1.625 1.00 0.00 H ATOM 102 2HB LYS A 6 7.435 7.694 1.661 1.00 0.00 H ATOM 103 1HG LYS A 6 5.313 8.706 0.961 1.00 0.00 H ATOM 104 2HG LYS A 6 4.571 7.104 0.855 1.00 0.00 H ATOM 105 1HD LYS A 6 5.021 6.752 3.276 1.00 0.00 H ATOM 106 2HD LYS A 6 5.714 8.378 3.369 1.00 0.00 H ATOM 107 1HE LYS A 6 3.553 9.347 2.668 1.00 0.00 H ATOM 108 2HE LYS A 6 2.857 7.729 2.552 1.00 0.00 H ATOM 109 1HZ LYS A 6 2.312 8.777 4.624 1.00 0.00 H ATOM 110 2HZ LYS A 6 3.255 7.452 4.903 1.00 0.00 H ATOM 111 3HZ LYS A 6 3.904 8.965 5.011 1.00 0.00 H ATOM 112 N ILE A 7 8.958 5.391 -0.132 1.00 0.00 N ATOM 113 CA ILE A 7 10.360 4.991 -0.143 1.00 0.00 C ATOM 114 C ILE A 7 10.911 4.952 -1.563 1.00 0.00 C ATOM 115 O ILE A 7 12.000 5.459 -1.830 1.00 0.00 O ATOM 116 CB ILE A 7 10.542 3.611 0.516 1.00 0.00 C ATOM 117 CG1 ILE A 7 10.228 3.689 2.013 1.00 0.00 C ATOM 118 CG2 ILE A 7 11.955 3.097 0.291 1.00 0.00 C ATOM 119 CD1 ILE A 7 10.118 2.339 2.685 1.00 0.00 C ATOM 120 H ILE A 7 8.254 4.711 0.116 1.00 0.00 H ATOM 121 HA ILE A 7 10.932 5.717 0.435 1.00 0.00 H ATOM 122 HB ILE A 7 9.835 2.905 0.083 1.00 0.00 H ATOM 123 1HG1 ILE A 7 11.007 4.260 2.518 1.00 0.00 H ATOM 124 2HG1 ILE A 7 9.287 4.220 2.160 1.00 0.00 H ATOM 125 1HG2 ILE A 7 12.067 2.121 0.764 1.00 0.00 H ATOM 126 2HG2 ILE A 7 12.143 3.005 -0.777 1.00 0.00 H ATOM 127 3HG2 ILE A 7 12.670 3.795 0.727 1.00 0.00 H ATOM 128 1HD1 ILE A 7 9.894 2.477 3.743 1.00 0.00 H ATOM 129 2HD1 ILE A 7 9.319 1.764 2.216 1.00 0.00 H ATOM 130 3HD1 ILE A 7 11.061 1.804 2.581 1.00 0.00 H ATOM 131 N VAL A 8 10.151 4.349 -2.471 1.00 0.00 N ATOM 132 CA VAL A 8 10.565 4.237 -3.864 1.00 0.00 C ATOM 133 C VAL A 8 10.787 5.610 -4.485 1.00 0.00 C ATOM 134 O VAL A 8 11.768 5.830 -5.195 1.00 0.00 O ATOM 135 CB VAL A 8 9.503 3.474 -4.678 1.00 0.00 C ATOM 136 CG1 VAL A 8 9.748 3.648 -6.169 1.00 0.00 C ATOM 137 CG2 VAL A 8 9.518 2.001 -4.297 1.00 0.00 C ATOM 138 H VAL A 8 9.264 3.958 -2.188 1.00 0.00 H ATOM 139 HA VAL A 8 11.502 3.680 -3.902 1.00 0.00 H ATOM 140 HB VAL A 8 8.521 3.896 -4.462 1.00 0.00 H ATOM 141 1HG1 VAL A 8 8.988 3.103 -6.729 1.00 0.00 H ATOM 142 2HG1 VAL A 8 9.697 4.706 -6.425 1.00 0.00 H ATOM 143 3HG1 VAL A 8 10.734 3.259 -6.424 1.00 0.00 H ATOM 144 1HG2 VAL A 8 8.764 1.468 -4.875 1.00 0.00 H ATOM 145 2HG2 VAL A 8 10.502 1.581 -4.507 1.00 0.00 H ATOM 146 3HG2 VAL A 8 9.299 1.898 -3.234 1.00 0.00 H ATOM 147 N SER A 9 9.869 6.532 -4.213 1.00 0.00 N ATOM 148 CA SER A 9 9.983 7.896 -4.714 1.00 0.00 C ATOM 149 C SER A 9 11.272 8.553 -4.237 1.00 0.00 C ATOM 150 O SER A 9 11.962 9.220 -5.008 1.00 0.00 O ATOM 151 CB SER A 9 8.790 8.718 -4.264 1.00 0.00 C ATOM 152 OG SER A 9 7.609 8.254 -4.858 1.00 0.00 O ATOM 153 H SER A 9 9.073 6.281 -3.645 1.00 0.00 H ATOM 154 HA SER A 9 9.988 7.866 -5.804 1.00 0.00 H ATOM 155 1HB SER A 9 8.701 8.665 -3.180 1.00 0.00 H ATOM 156 2HB SER A 9 8.948 9.763 -4.529 1.00 0.00 H ATOM 157 HG SER A 9 7.304 7.528 -4.309 1.00 0.00 H ATOM 158 N GLU A 10 11.592 8.359 -2.962 1.00 0.00 N ATOM 159 CA GLU A 10 12.822 8.896 -2.391 1.00 0.00 C ATOM 160 C GLU A 10 14.050 8.282 -3.052 1.00 0.00 C ATOM 161 O GLU A 10 15.001 8.986 -3.390 1.00 0.00 O ATOM 162 CB GLU A 10 12.863 8.645 -0.882 1.00 0.00 C ATOM 163 CG GLU A 10 14.074 9.241 -0.179 1.00 0.00 C ATOM 164 CD GLU A 10 14.045 9.036 1.310 1.00 0.00 C ATOM 165 OE1 GLU A 10 13.248 8.252 1.768 1.00 0.00 O ATOM 166 OE2 GLU A 10 14.821 9.664 1.992 1.00 0.00 O ATOM 167 H GLU A 10 10.968 7.826 -2.374 1.00 0.00 H ATOM 168 HA GLU A 10 12.838 9.974 -2.556 1.00 0.00 H ATOM 169 1HB GLU A 10 11.968 9.061 -0.419 1.00 0.00 H ATOM 170 2HB GLU A 10 12.861 7.571 -0.692 1.00 0.00 H ATOM 171 1HG GLU A 10 14.977 8.782 -0.580 1.00 0.00 H ATOM 172 2HG GLU A 10 14.116 10.308 -0.393 1.00 0.00 H ATOM 173 N ILE A 11 14.023 6.966 -3.233 1.00 0.00 N ATOM 174 CA ILE A 11 15.163 6.245 -3.786 1.00 0.00 C ATOM 175 C ILE A 11 15.507 6.747 -5.182 1.00 0.00 C ATOM 176 O ILE A 11 16.666 7.037 -5.480 1.00 0.00 O ATOM 177 CB ILE A 11 14.883 4.732 -3.838 1.00 0.00 C ATOM 178 CG1 ILE A 11 14.883 4.140 -2.427 1.00 0.00 C ATOM 179 CG2 ILE A 11 15.911 4.031 -4.713 1.00 0.00 C ATOM 180 CD1 ILE A 11 14.340 2.731 -2.356 1.00 0.00 C ATOM 181 H ILE A 11 13.191 6.452 -2.981 1.00 0.00 H ATOM 182 HA ILE A 11 16.023 6.406 -3.134 1.00 0.00 H ATOM 183 HB ILE A 11 13.890 4.560 -4.252 1.00 0.00 H ATOM 184 1HG1 ILE A 11 15.899 4.134 -2.035 1.00 0.00 H ATOM 185 2HG1 ILE A 11 14.283 4.769 -1.768 1.00 0.00 H ATOM 186 1HG2 ILE A 11 15.698 2.963 -4.739 1.00 0.00 H ATOM 187 2HG2 ILE A 11 15.864 4.435 -5.724 1.00 0.00 H ATOM 188 3HG2 ILE A 11 16.908 4.193 -4.304 1.00 0.00 H ATOM 189 1HD1 ILE A 11 14.371 2.380 -1.324 1.00 0.00 H ATOM 190 2HD1 ILE A 11 13.309 2.720 -2.711 1.00 0.00 H ATOM 191 3HD1 ILE A 11 14.946 2.076 -2.980 1.00 0.00 H ATOM 192 N GLN A 12 14.494 6.849 -6.036 1.00 0.00 N ATOM 193 CA GLN A 12 14.694 7.277 -7.415 1.00 0.00 C ATOM 194 C GLN A 12 15.094 8.745 -7.484 1.00 0.00 C ATOM 195 O GLN A 12 15.899 9.140 -8.327 1.00 0.00 O ATOM 196 CB GLN A 12 13.426 7.041 -8.239 1.00 0.00 C ATOM 197 CG GLN A 12 13.121 5.578 -8.508 1.00 0.00 C ATOM 198 CD GLN A 12 11.901 5.393 -9.391 1.00 0.00 C ATOM 199 OE1 GLN A 12 10.846 5.986 -9.148 1.00 0.00 O ATOM 200 NE2 GLN A 12 12.038 4.569 -10.424 1.00 0.00 N ATOM 201 H GLN A 12 13.561 6.623 -5.721 1.00 0.00 H ATOM 202 HA GLN A 12 15.494 6.676 -7.851 1.00 0.00 H ATOM 203 1HB GLN A 12 12.570 7.473 -7.720 1.00 0.00 H ATOM 204 2HB GLN A 12 13.516 7.548 -9.199 1.00 0.00 H ATOM 205 1HG GLN A 12 13.977 5.125 -9.009 1.00 0.00 H ATOM 206 2HG GLN A 12 12.935 5.075 -7.559 1.00 0.00 H ATOM 207 1HE2 GLN A 12 11.267 4.408 -11.041 1.00 0.00 H ATOM 208 2HE2 GLN A 12 12.912 4.109 -10.584 1.00 0.00 H ATOM 209 N SER A 13 14.526 9.550 -6.592 1.00 0.00 N ATOM 210 CA SER A 13 14.834 10.974 -6.539 1.00 0.00 C ATOM 211 C SER A 13 16.269 11.210 -6.085 1.00 0.00 C ATOM 212 O SER A 13 16.976 12.051 -6.641 1.00 0.00 O ATOM 213 CB SER A 13 13.875 11.681 -5.602 1.00 0.00 C ATOM 214 OG SER A 13 12.563 11.622 -6.089 1.00 0.00 O ATOM 215 H SER A 13 13.864 9.165 -5.933 1.00 0.00 H ATOM 216 HA SER A 13 14.710 11.392 -7.539 1.00 0.00 H ATOM 217 1HB SER A 13 13.921 11.218 -4.617 1.00 0.00 H ATOM 218 2HB SER A 13 14.178 12.721 -5.489 1.00 0.00 H ATOM 219 HG SER A 13 12.229 10.755 -5.847 1.00 0.00 H ATOM 220 N LYS A 14 16.695 10.464 -5.072 1.00 0.00 N ATOM 221 CA LYS A 14 18.025 10.635 -4.499 1.00 0.00 C ATOM 222 C LYS A 14 19.016 9.651 -5.105 1.00 0.00 C ATOM 223 O LYS A 14 20.218 9.729 -4.850 1.00 0.00 O ATOM 224 CB LYS A 14 17.979 10.469 -2.980 1.00 0.00 C ATOM 225 CG LYS A 14 17.189 11.548 -2.252 1.00 0.00 C ATOM 226 CD LYS A 14 17.190 11.314 -0.748 1.00 0.00 C ATOM 227 CE LYS A 14 16.382 12.379 -0.021 1.00 0.00 C ATOM 228 NZ LYS A 14 16.278 12.100 1.437 1.00 0.00 N ATOM 229 H LYS A 14 16.081 9.759 -4.689 1.00 0.00 H ATOM 230 HA LYS A 14 18.365 11.650 -4.712 1.00 0.00 H ATOM 231 1HB LYS A 14 17.534 9.504 -2.733 1.00 0.00 H ATOM 232 2HB LYS A 14 18.994 10.472 -2.583 1.00 0.00 H ATOM 233 1HG LYS A 14 17.630 12.524 -2.459 1.00 0.00 H ATOM 234 2HG LYS A 14 16.160 11.550 -2.610 1.00 0.00 H ATOM 235 1HD LYS A 14 16.762 10.335 -0.532 1.00 0.00 H ATOM 236 2HD LYS A 14 18.215 11.333 -0.378 1.00 0.00 H ATOM 237 1HE LYS A 14 16.854 13.351 -0.160 1.00 0.00 H ATOM 238 2HE LYS A 14 15.378 12.424 -0.442 1.00 0.00 H ATOM 239 1HZ LYS A 14 15.736 12.827 1.881 1.00 0.00 H ATOM 240 2HZ LYS A 14 15.824 11.208 1.578 1.00 0.00 H ATOM 241 3HZ LYS A 14 17.203 12.075 1.842 1.00 0.00 H ATOM 242 N GLN A 15 18.506 8.723 -5.908 1.00 0.00 N ATOM 243 CA GLN A 15 19.338 7.686 -6.506 1.00 0.00 C ATOM 244 C GLN A 15 20.070 6.883 -5.437 1.00 0.00 C ATOM 245 O GLN A 15 21.296 6.783 -5.454 1.00 0.00 O ATOM 246 CB GLN A 15 20.346 8.301 -7.479 1.00 0.00 C ATOM 247 CG GLN A 15 19.719 8.923 -8.715 1.00 0.00 C ATOM 248 CD GLN A 15 19.253 7.881 -9.714 1.00 0.00 C ATOM 249 OE1 GLN A 15 20.066 7.213 -10.359 1.00 0.00 O ATOM 250 NE2 GLN A 15 17.940 7.737 -9.849 1.00 0.00 N ATOM 251 H GLN A 15 17.517 8.738 -6.110 1.00 0.00 H ATOM 252 HA GLN A 15 18.691 6.992 -7.045 1.00 0.00 H ATOM 253 1HB GLN A 15 20.920 9.074 -6.968 1.00 0.00 H ATOM 254 2HB GLN A 15 21.049 7.536 -7.808 1.00 0.00 H ATOM 255 1HG GLN A 15 18.856 9.516 -8.412 1.00 0.00 H ATOM 256 2HG GLN A 15 20.457 9.560 -9.203 1.00 0.00 H ATOM 257 1HE2 GLN A 15 17.573 7.064 -10.493 1.00 0.00 H ATOM 258 2HE2 GLN A 15 17.316 8.300 -9.306 1.00 0.00 H ATOM 259 N LEU A 16 19.309 6.312 -4.509 1.00 0.00 N ATOM 260 CA LEU A 16 19.886 5.536 -3.418 1.00 0.00 C ATOM 261 C LEU A 16 20.139 4.095 -3.840 1.00 0.00 C ATOM 262 O LEU A 16 19.369 3.518 -4.608 1.00 0.00 O ATOM 263 CB LEU A 16 18.954 5.563 -2.199 1.00 0.00 C ATOM 264 CG LEU A 16 18.595 6.955 -1.666 1.00 0.00 C ATOM 265 CD1 LEU A 16 17.595 6.821 -0.527 1.00 0.00 C ATOM 266 CD2 LEU A 16 19.860 7.664 -1.203 1.00 0.00 C ATOM 267 H LEU A 16 18.306 6.418 -4.561 1.00 0.00 H ATOM 268 HA LEU A 16 20.837 5.990 -3.135 1.00 0.00 H ATOM 269 1HB LEU A 16 18.026 5.059 -2.461 1.00 0.00 H ATOM 270 2HB LEU A 16 19.427 5.009 -1.388 1.00 0.00 H ATOM 271 HG LEU A 16 18.123 7.537 -2.458 1.00 0.00 H ATOM 272 1HD1 LEU A 16 17.339 7.811 -0.148 1.00 0.00 H ATOM 273 2HD1 LEU A 16 16.693 6.329 -0.890 1.00 0.00 H ATOM 274 3HD1 LEU A 16 18.034 6.229 0.275 1.00 0.00 H ATOM 275 1HD2 LEU A 16 19.604 8.654 -0.825 1.00 0.00 H ATOM 276 2HD2 LEU A 16 20.332 7.083 -0.411 1.00 0.00 H ATOM 277 3HD2 LEU A 16 20.549 7.762 -2.042 1.00 0.00 H ATOM 278 N THR A 17 21.224 3.517 -3.334 1.00 0.00 N ATOM 279 CA THR A 17 21.518 2.108 -3.562 1.00 0.00 C ATOM 280 C THR A 17 21.513 1.325 -2.256 1.00 0.00 C ATOM 281 O THR A 17 21.967 0.182 -2.204 1.00 0.00 O ATOM 282 CB THR A 17 22.878 1.933 -4.264 1.00 0.00 C ATOM 283 OG1 THR A 17 23.913 2.507 -3.456 1.00 0.00 O ATOM 284 CG2 THR A 17 22.867 2.612 -5.625 1.00 0.00 C ATOM 285 H THR A 17 21.860 4.069 -2.776 1.00 0.00 H ATOM 286 HA THR A 17 20.752 1.696 -4.220 1.00 0.00 H ATOM 287 HB THR A 17 23.085 0.871 -4.396 1.00 0.00 H ATOM 288 HG1 THR A 17 24.391 3.164 -3.968 1.00 0.00 H ATOM 289 1HG2 THR A 17 23.835 2.477 -6.107 1.00 0.00 H ATOM 290 2HG2 THR A 17 22.088 2.169 -6.246 1.00 0.00 H ATOM 291 3HG2 THR A 17 22.669 3.675 -5.499 1.00 0.00 H ATOM 292 N ARG A 18 20.996 1.947 -1.202 1.00 0.00 N ATOM 293 CA ARG A 18 20.935 1.311 0.109 1.00 0.00 C ATOM 294 C ARG A 18 19.617 1.616 0.809 1.00 0.00 C ATOM 295 O ARG A 18 19.127 2.745 0.766 1.00 0.00 O ATOM 296 CB ARG A 18 22.089 1.776 0.984 1.00 0.00 C ATOM 297 CG ARG A 18 22.137 1.147 2.367 1.00 0.00 C ATOM 298 CD ARG A 18 23.370 1.530 3.103 1.00 0.00 C ATOM 299 NE ARG A 18 24.562 0.960 2.497 1.00 0.00 N ATOM 300 CZ ARG A 18 25.764 0.882 3.099 1.00 0.00 C ATOM 301 NH1 ARG A 18 25.918 1.341 4.322 1.00 0.00 N ATOM 302 NH2 ARG A 18 26.790 0.344 2.462 1.00 0.00 N ATOM 303 H ARG A 18 20.636 2.884 -1.311 1.00 0.00 H ATOM 304 HA ARG A 18 21.017 0.232 -0.026 1.00 0.00 H ATOM 305 1HB ARG A 18 23.033 1.554 0.488 1.00 0.00 H ATOM 306 2HB ARG A 18 22.035 2.857 1.115 1.00 0.00 H ATOM 307 1HG ARG A 18 21.275 1.478 2.948 1.00 0.00 H ATOM 308 2HG ARG A 18 22.117 0.061 2.274 1.00 0.00 H ATOM 309 1HD ARG A 18 23.472 2.615 3.101 1.00 0.00 H ATOM 310 2HD ARG A 18 23.306 1.174 4.130 1.00 0.00 H ATOM 311 HE ARG A 18 24.483 0.595 1.556 1.00 0.00 H ATOM 312 1HH1 ARG A 18 25.134 1.753 4.809 1.00 0.00 H ATOM 313 2HH1 ARG A 18 26.819 1.283 4.773 1.00 0.00 H ATOM 314 1HH2 ARG A 18 26.672 -0.009 1.522 1.00 0.00 H ATOM 315 2HH2 ARG A 18 27.690 0.286 2.914 1.00 0.00 H ATOM 316 N ILE A 19 19.046 0.604 1.453 1.00 0.00 N ATOM 317 CA ILE A 19 17.866 0.795 2.287 1.00 0.00 C ATOM 318 C ILE A 19 17.937 -0.060 3.546 1.00 0.00 C ATOM 319 O ILE A 19 18.449 -1.179 3.520 1.00 0.00 O ATOM 320 CB ILE A 19 16.582 0.456 1.509 1.00 0.00 C ATOM 321 CG1 ILE A 19 15.362 1.082 2.191 1.00 0.00 C ATOM 322 CG2 ILE A 19 16.414 -1.051 1.390 1.00 0.00 C ATOM 323 CD1 ILE A 19 15.283 2.584 2.040 1.00 0.00 C ATOM 324 H ILE A 19 19.440 -0.322 1.362 1.00 0.00 H ATOM 325 HA ILE A 19 17.814 1.844 2.579 1.00 0.00 H ATOM 326 HB ILE A 19 16.638 0.885 0.509 1.00 0.00 H ATOM 327 1HG1 ILE A 19 14.452 0.649 1.777 1.00 0.00 H ATOM 328 2HG1 ILE A 19 15.380 0.847 3.255 1.00 0.00 H ATOM 329 1HG2 ILE A 19 15.501 -1.273 0.838 1.00 0.00 H ATOM 330 2HG2 ILE A 19 17.268 -1.472 0.863 1.00 0.00 H ATOM 331 3HG2 ILE A 19 16.350 -1.490 2.387 1.00 0.00 H ATOM 332 1HD1 ILE A 19 14.394 2.955 2.550 1.00 0.00 H ATOM 333 2HD1 ILE A 19 16.171 3.041 2.480 1.00 0.00 H ATOM 334 3HD1 ILE A 19 15.229 2.841 0.984 1.00 0.00 H ATOM 335 N THR A 20 17.422 0.475 4.648 1.00 0.00 N ATOM 336 CA THR A 20 17.403 -0.248 5.914 1.00 0.00 C ATOM 337 C THR A 20 15.978 -0.439 6.418 1.00 0.00 C ATOM 338 O THR A 20 15.210 0.518 6.513 1.00 0.00 O ATOM 339 CB THR A 20 18.236 0.483 6.983 1.00 0.00 C ATOM 340 OG1 THR A 20 19.597 0.585 6.545 1.00 0.00 O ATOM 341 CG2 THR A 20 18.188 -0.270 8.304 1.00 0.00 C ATOM 342 H THR A 20 17.033 1.406 4.608 1.00 0.00 H ATOM 343 HA THR A 20 17.853 -1.229 5.759 1.00 0.00 H ATOM 344 HB THR A 20 17.840 1.488 7.129 1.00 0.00 H ATOM 345 HG1 THR A 20 20.127 -0.079 6.992 1.00 0.00 H ATOM 346 1HG2 THR A 20 18.782 0.262 9.047 1.00 0.00 H ATOM 347 2HG2 THR A 20 17.155 -0.339 8.646 1.00 0.00 H ATOM 348 3HG2 THR A 20 18.592 -1.272 8.166 1.00 0.00 H ATOM 349 N ILE A 21 15.632 -1.681 6.741 1.00 0.00 N ATOM 350 CA ILE A 21 14.333 -1.985 7.330 1.00 0.00 C ATOM 351 C ILE A 21 14.488 -2.663 8.685 1.00 0.00 C ATOM 352 O ILE A 21 14.956 -3.798 8.772 1.00 0.00 O ATOM 353 CB ILE A 21 13.504 -2.886 6.397 1.00 0.00 C ATOM 354 CG1 ILE A 21 13.330 -2.222 5.029 1.00 0.00 C ATOM 355 CG2 ILE A 21 12.150 -3.194 7.019 1.00 0.00 C ATOM 356 CD1 ILE A 21 14.362 -2.645 4.008 1.00 0.00 C ATOM 357 H ILE A 21 16.284 -2.433 6.573 1.00 0.00 H ATOM 358 HA ILE A 21 13.788 -1.050 7.467 1.00 0.00 H ATOM 359 HB ILE A 21 14.036 -3.822 6.227 1.00 0.00 H ATOM 360 1HG1 ILE A 21 12.343 -2.457 4.633 1.00 0.00 H ATOM 361 2HG1 ILE A 21 13.387 -1.138 5.140 1.00 0.00 H ATOM 362 1HG2 ILE A 21 11.577 -3.831 6.346 1.00 0.00 H ATOM 363 2HG2 ILE A 21 12.295 -3.706 7.968 1.00 0.00 H ATOM 364 3HG2 ILE A 21 11.608 -2.263 7.187 1.00 0.00 H ATOM 365 1HD1 ILE A 21 14.174 -2.132 3.065 1.00 0.00 H ATOM 366 2HD1 ILE A 21 15.358 -2.386 4.369 1.00 0.00 H ATOM 367 3HD1 ILE A 21 14.300 -3.721 3.854 1.00 0.00 H ATOM 368 N ASN A 22 14.094 -1.959 9.741 1.00 0.00 N ATOM 369 CA ASN A 22 14.181 -2.495 11.094 1.00 0.00 C ATOM 370 C ASN A 22 15.604 -2.923 11.427 1.00 0.00 C ATOM 371 O ASN A 22 15.817 -3.893 12.155 1.00 0.00 O ATOM 372 CB ASN A 22 13.219 -3.655 11.272 1.00 0.00 C ATOM 373 CG ASN A 22 11.786 -3.256 11.054 1.00 0.00 C ATOM 374 OD1 ASN A 22 11.382 -2.136 11.387 1.00 0.00 O ATOM 375 ND2 ASN A 22 11.008 -4.152 10.499 1.00 0.00 N ATOM 376 H ASN A 22 13.724 -1.030 9.603 1.00 0.00 H ATOM 377 HA ASN A 22 13.908 -1.706 11.797 1.00 0.00 H ATOM 378 1HB ASN A 22 13.473 -4.451 10.570 1.00 0.00 H ATOM 379 2HB ASN A 22 13.321 -4.062 12.279 1.00 0.00 H ATOM 380 1HD2 ASN A 22 10.045 -3.941 10.330 1.00 0.00 H ATOM 381 2HD2 ASN A 22 11.377 -5.045 10.246 1.00 0.00 H ATOM 382 N GLY A 23 16.577 -2.195 10.889 1.00 0.00 N ATOM 383 CA GLY A 23 17.979 -2.432 11.211 1.00 0.00 C ATOM 384 C GLY A 23 18.646 -3.306 10.157 1.00 0.00 C ATOM 385 O GLY A 23 19.870 -3.435 10.127 1.00 0.00 O ATOM 386 H GLY A 23 16.338 -1.458 10.241 1.00 0.00 H ATOM 387 1HA GLY A 23 18.502 -1.478 11.282 1.00 0.00 H ATOM 388 2HA GLY A 23 18.052 -2.912 12.186 1.00 0.00 H ATOM 389 N ASN A 24 17.834 -3.906 9.293 1.00 0.00 N ATOM 390 CA ASN A 24 18.343 -4.778 8.242 1.00 0.00 C ATOM 391 C ASN A 24 18.697 -3.984 6.991 1.00 0.00 C ATOM 392 O ASN A 24 17.816 -3.503 6.279 1.00 0.00 O ATOM 393 CB ASN A 24 17.336 -5.866 7.916 1.00 0.00 C ATOM 394 CG ASN A 24 17.108 -6.806 9.067 1.00 0.00 C ATOM 395 OD1 ASN A 24 18.062 -7.305 9.675 1.00 0.00 O ATOM 396 ND2 ASN A 24 15.862 -7.057 9.378 1.00 0.00 N ATOM 397 H ASN A 24 16.838 -3.754 9.367 1.00 0.00 H ATOM 398 HA ASN A 24 19.243 -5.273 8.608 1.00 0.00 H ATOM 399 1HB ASN A 24 16.384 -5.411 7.640 1.00 0.00 H ATOM 400 2HB ASN A 24 17.686 -6.440 7.057 1.00 0.00 H ATOM 401 1HD2 ASN A 24 15.651 -7.675 10.136 1.00 0.00 H ATOM 402 2HD2 ASN A 24 15.122 -6.631 8.859 1.00 0.00 H ATOM 403 N THR A 25 19.993 -3.849 6.729 1.00 0.00 N ATOM 404 CA THR A 25 20.469 -3.030 5.621 1.00 0.00 C ATOM 405 C THR A 25 20.636 -3.860 4.354 1.00 0.00 C ATOM 406 O THR A 25 21.194 -4.956 4.388 1.00 0.00 O ATOM 407 CB THR A 25 21.804 -2.346 5.971 1.00 0.00 C ATOM 408 OG1 THR A 25 21.609 -1.444 7.067 1.00 0.00 O ATOM 409 CG2 THR A 25 22.339 -1.576 4.773 1.00 0.00 C ATOM 410 H THR A 25 20.665 -4.327 7.312 1.00 0.00 H ATOM 411 HA THR A 25 19.736 -2.245 5.431 1.00 0.00 H ATOM 412 HB THR A 25 22.533 -3.101 6.265 1.00 0.00 H ATOM 413 HG1 THR A 25 21.091 -0.691 6.773 1.00 0.00 H ATOM 414 1HG2 THR A 25 23.282 -1.100 5.039 1.00 0.00 H ATOM 415 2HG2 THR A 25 22.499 -2.261 3.941 1.00 0.00 H ATOM 416 3HG2 THR A 25 21.618 -0.813 4.481 1.00 0.00 H ATOM 417 N TYR A 26 20.148 -3.330 3.238 1.00 0.00 N ATOM 418 CA TYR A 26 20.246 -4.019 1.956 1.00 0.00 C ATOM 419 C TYR A 26 20.936 -3.148 0.914 1.00 0.00 C ATOM 420 O TYR A 26 20.502 -2.030 0.640 1.00 0.00 O ATOM 421 CB TYR A 26 18.858 -4.435 1.465 1.00 0.00 C ATOM 422 CG TYR A 26 18.882 -5.280 0.211 1.00 0.00 C ATOM 423 CD1 TYR A 26 19.405 -6.565 0.250 1.00 0.00 C ATOM 424 CD2 TYR A 26 18.383 -4.771 -0.979 1.00 0.00 C ATOM 425 CE1 TYR A 26 19.427 -7.337 -0.895 1.00 0.00 C ATOM 426 CE2 TYR A 26 18.405 -5.544 -2.124 1.00 0.00 C ATOM 427 CZ TYR A 26 18.925 -6.821 -2.085 1.00 0.00 C ATOM 428 OH TYR A 26 18.947 -7.590 -3.225 1.00 0.00 O ATOM 429 H TYR A 26 19.697 -2.427 3.277 1.00 0.00 H ATOM 430 HA TYR A 26 20.832 -4.928 2.096 1.00 0.00 H ATOM 431 1HB TYR A 26 18.349 -5.000 2.247 1.00 0.00 H ATOM 432 2HB TYR A 26 18.262 -3.545 1.263 1.00 0.00 H ATOM 433 HD1 TYR A 26 19.798 -6.965 1.185 1.00 0.00 H ATOM 434 HD2 TYR A 26 17.973 -3.762 -1.010 1.00 0.00 H ATOM 435 HE1 TYR A 26 19.838 -8.346 -0.864 1.00 0.00 H ATOM 436 HE2 TYR A 26 18.013 -5.143 -3.059 1.00 0.00 H ATOM 437 HH TYR A 26 18.611 -7.076 -3.963 1.00 0.00 H ATOM 438 N GLN A 27 22.014 -3.668 0.337 1.00 0.00 N ATOM 439 CA GLN A 27 22.827 -2.901 -0.599 1.00 0.00 C ATOM 440 C GLN A 27 22.744 -3.480 -2.005 1.00 0.00 C ATOM 441 O GLN A 27 22.896 -4.686 -2.200 1.00 0.00 O ATOM 442 CB GLN A 27 24.286 -2.863 -0.135 1.00 0.00 C ATOM 443 CG GLN A 27 25.233 -2.190 -1.113 1.00 0.00 C ATOM 444 CD GLN A 27 25.093 -0.680 -1.110 1.00 0.00 C ATOM 445 OE1 GLN A 27 25.272 -0.029 -0.077 1.00 0.00 O ATOM 446 NE2 GLN A 27 24.772 -0.114 -2.267 1.00 0.00 N ATOM 447 H GLN A 27 22.276 -4.620 0.551 1.00 0.00 H ATOM 448 HA GLN A 27 22.456 -1.876 -0.620 1.00 0.00 H ATOM 449 1HB GLN A 27 24.352 -2.333 0.816 1.00 0.00 H ATOM 450 2HB GLN A 27 24.641 -3.880 0.033 1.00 0.00 H ATOM 451 1HG GLN A 27 26.259 -2.439 -0.840 1.00 0.00 H ATOM 452 2HG GLN A 27 25.017 -2.551 -2.119 1.00 0.00 H ATOM 453 1HE2 GLN A 27 24.665 0.880 -2.326 1.00 0.00 H ATOM 454 2HE2 GLN A 27 24.636 -0.680 -3.080 1.00 0.00 H ATOM 455 N VAL A 28 22.502 -2.613 -2.983 1.00 0.00 N ATOM 456 CA VAL A 28 22.387 -3.038 -4.373 1.00 0.00 C ATOM 457 C VAL A 28 23.354 -2.270 -5.266 1.00 0.00 C ATOM 458 O VAL A 28 24.157 -1.471 -4.784 1.00 0.00 O ATOM 459 CB VAL A 28 20.948 -2.828 -4.879 1.00 0.00 C ATOM 460 CG1 VAL A 28 19.967 -3.642 -4.048 1.00 0.00 C ATOM 461 CG2 VAL A 28 20.595 -1.350 -4.835 1.00 0.00 C ATOM 462 H VAL A 28 22.395 -1.634 -2.758 1.00 0.00 H ATOM 463 HA VAL A 28 22.627 -4.101 -4.430 1.00 0.00 H ATOM 464 HB VAL A 28 20.877 -3.190 -5.905 1.00 0.00 H ATOM 465 1HG1 VAL A 28 18.955 -3.482 -4.419 1.00 0.00 H ATOM 466 2HG1 VAL A 28 20.217 -4.700 -4.122 1.00 0.00 H ATOM 467 3HG1 VAL A 28 20.025 -3.327 -3.006 1.00 0.00 H ATOM 468 1HG2 VAL A 28 19.576 -1.208 -5.195 1.00 0.00 H ATOM 469 2HG2 VAL A 28 20.671 -0.987 -3.810 1.00 0.00 H ATOM 470 3HG2 VAL A 28 21.284 -0.792 -5.470 1.00 0.00 H ATOM 471 N ASN A 29 23.271 -2.517 -6.568 1.00 0.00 N ATOM 472 CA ASN A 29 24.151 -1.864 -7.530 1.00 0.00 C ATOM 473 C ASN A 29 23.481 -0.644 -8.149 1.00 0.00 C ATOM 474 O ASN A 29 24.153 0.255 -8.655 1.00 0.00 O ATOM 475 CB ASN A 29 24.584 -2.841 -8.607 1.00 0.00 C ATOM 476 CG ASN A 29 25.322 -4.027 -8.050 1.00 0.00 C ATOM 477 OD1 ASN A 29 26.532 -3.961 -7.804 1.00 0.00 O ATOM 478 ND2 ASN A 29 24.616 -5.110 -7.845 1.00 0.00 N ATOM 479 H ASN A 29 22.580 -3.175 -6.902 1.00 0.00 H ATOM 480 HA ASN A 29 25.053 -1.541 -7.009 1.00 0.00 H ATOM 481 1HB ASN A 29 23.707 -3.196 -9.151 1.00 0.00 H ATOM 482 2HB ASN A 29 25.228 -2.331 -9.323 1.00 0.00 H ATOM 483 1HD2 ASN A 29 25.054 -5.930 -7.476 1.00 0.00 H ATOM 484 2HD2 ASN A 29 23.640 -5.118 -8.059 1.00 0.00 H ATOM 485 N SER A 30 22.154 -0.619 -8.107 1.00 0.00 N ATOM 486 CA SER A 30 21.388 0.460 -8.720 1.00 0.00 C ATOM 487 C SER A 30 20.116 0.748 -7.933 1.00 0.00 C ATOM 488 O SER A 30 19.562 -0.139 -7.283 1.00 0.00 O ATOM 489 CB SER A 30 21.038 0.104 -10.152 1.00 0.00 C ATOM 490 OG SER A 30 20.086 -0.923 -10.195 1.00 0.00 O ATOM 491 H SER A 30 21.662 -1.367 -7.639 1.00 0.00 H ATOM 492 HA SER A 30 22.005 1.359 -8.730 1.00 0.00 H ATOM 493 1HB SER A 30 20.650 0.985 -10.661 1.00 0.00 H ATOM 494 2HB SER A 30 21.938 -0.208 -10.679 1.00 0.00 H ATOM 495 HG SER A 30 20.555 -1.706 -10.493 1.00 0.00 H ATOM 496 N PRO A 31 19.657 1.993 -7.996 1.00 0.00 N ATOM 497 CA PRO A 31 18.438 2.396 -7.304 1.00 0.00 C ATOM 498 C PRO A 31 17.235 1.607 -7.803 1.00 0.00 C ATOM 499 O PRO A 31 16.255 1.429 -7.080 1.00 0.00 O ATOM 500 CB PRO A 31 18.321 3.884 -7.651 1.00 0.00 C ATOM 501 CG PRO A 31 19.143 4.038 -8.885 1.00 0.00 C ATOM 502 CD PRO A 31 20.301 3.098 -8.683 1.00 0.00 C ATOM 503 HA PRO A 31 18.566 2.204 -6.238 1.00 0.00 H ATOM 504 1HB PRO A 31 17.266 4.153 -7.804 1.00 0.00 H ATOM 505 2HB PRO A 31 18.690 4.496 -6.814 1.00 0.00 H ATOM 506 1HG PRO A 31 18.544 3.787 -9.773 1.00 0.00 H ATOM 507 2HG PRO A 31 19.461 5.084 -9.002 1.00 0.00 H ATOM 508 1HD PRO A 31 20.710 2.804 -9.661 1.00 0.00 H ATOM 509 2HD PRO A 31 21.072 3.591 -8.072 1.00 0.00 H ATOM 510 N GLU A 32 17.315 1.136 -9.043 1.00 0.00 N ATOM 511 CA GLU A 32 16.237 0.355 -9.637 1.00 0.00 C ATOM 512 C GLU A 32 16.145 -1.027 -9.004 1.00 0.00 C ATOM 513 O GLU A 32 15.051 -1.554 -8.797 1.00 0.00 O ATOM 514 CB GLU A 32 16.444 0.222 -11.147 1.00 0.00 C ATOM 515 CG GLU A 32 16.219 1.509 -11.928 1.00 0.00 C ATOM 516 CD GLU A 32 14.813 2.027 -11.809 1.00 0.00 C ATOM 517 OE1 GLU A 32 13.901 1.290 -12.100 1.00 0.00 O ATOM 518 OE2 GLU A 32 14.649 3.162 -11.425 1.00 0.00 O ATOM 519 H GLU A 32 18.145 1.324 -9.587 1.00 0.00 H ATOM 520 HA GLU A 32 15.296 0.880 -9.469 1.00 0.00 H ATOM 521 1HB GLU A 32 17.461 -0.116 -11.347 1.00 0.00 H ATOM 522 2HB GLU A 32 15.765 -0.533 -11.543 1.00 0.00 H ATOM 523 1HG GLU A 32 16.907 2.270 -11.561 1.00 0.00 H ATOM 524 2HG GLU A 32 16.447 1.329 -12.978 1.00 0.00 H ATOM 525 N GLU A 33 17.299 -1.611 -8.699 1.00 0.00 N ATOM 526 CA GLU A 33 17.352 -2.844 -7.923 1.00 0.00 C ATOM 527 C GLU A 33 16.810 -2.633 -6.515 1.00 0.00 C ATOM 528 O GLU A 33 16.181 -3.522 -5.941 1.00 0.00 O ATOM 529 CB GLU A 33 18.787 -3.370 -7.854 1.00 0.00 C ATOM 530 CG GLU A 33 19.297 -3.976 -9.154 1.00 0.00 C ATOM 531 CD GLU A 33 20.707 -4.489 -9.047 1.00 0.00 C ATOM 532 OE1 GLU A 33 21.340 -4.225 -8.054 1.00 0.00 O ATOM 533 OE2 GLU A 33 21.150 -5.145 -9.960 1.00 0.00 O ATOM 534 H GLU A 33 18.161 -1.190 -9.013 1.00 0.00 H ATOM 535 HA GLU A 33 16.739 -3.595 -8.424 1.00 0.00 H ATOM 536 1HB GLU A 33 19.459 -2.558 -7.577 1.00 0.00 H ATOM 537 2HB GLU A 33 18.858 -4.133 -7.079 1.00 0.00 H ATOM 538 1HG GLU A 33 18.644 -4.800 -9.440 1.00 0.00 H ATOM 539 2HG GLU A 33 19.249 -3.222 -9.938 1.00 0.00 H ATOM 540 N LEU A 34 17.059 -1.450 -5.962 1.00 0.00 N ATOM 541 CA LEU A 34 16.586 -1.115 -4.624 1.00 0.00 C ATOM 542 C LEU A 34 15.072 -0.953 -4.600 1.00 0.00 C ATOM 543 O LEU A 34 14.409 -1.369 -3.650 1.00 0.00 O ATOM 544 CB LEU A 34 17.252 0.177 -4.135 1.00 0.00 C ATOM 545 CG LEU A 34 17.212 0.414 -2.620 1.00 0.00 C ATOM 546 CD1 LEU A 34 17.967 -0.702 -1.911 1.00 0.00 C ATOM 547 CD2 LEU A 34 17.818 1.773 -2.302 1.00 0.00 C ATOM 548 H LEU A 34 17.590 -0.766 -6.482 1.00 0.00 H ATOM 549 HA LEU A 34 16.863 -1.924 -3.947 1.00 0.00 H ATOM 550 1HB LEU A 34 18.297 0.167 -4.441 1.00 0.00 H ATOM 551 2HB LEU A 34 16.763 1.024 -4.616 1.00 0.00 H ATOM 552 HG LEU A 34 16.178 0.388 -2.275 1.00 0.00 H ATOM 553 1HD1 LEU A 34 17.939 -0.533 -0.834 1.00 0.00 H ATOM 554 2HD1 LEU A 34 17.501 -1.660 -2.140 1.00 0.00 H ATOM 555 3HD1 LEU A 34 19.003 -0.711 -2.249 1.00 0.00 H ATOM 556 1HD2 LEU A 34 17.789 1.942 -1.225 1.00 0.00 H ATOM 557 2HD2 LEU A 34 18.852 1.799 -2.645 1.00 0.00 H ATOM 558 3HD2 LEU A 34 17.248 2.553 -2.807 1.00 0.00 H ATOM 559 N VAL A 35 14.529 -0.347 -5.651 1.00 0.00 N ATOM 560 CA VAL A 35 13.089 -0.156 -5.766 1.00 0.00 C ATOM 561 C VAL A 35 12.354 -1.491 -5.771 1.00 0.00 C ATOM 562 O VAL A 35 11.364 -1.669 -5.062 1.00 0.00 O ATOM 563 CB VAL A 35 12.753 0.616 -7.055 1.00 0.00 C ATOM 564 CG1 VAL A 35 11.269 0.508 -7.370 1.00 0.00 C ATOM 565 CG2 VAL A 35 13.169 2.072 -6.910 1.00 0.00 C ATOM 566 H VAL A 35 15.131 -0.010 -6.389 1.00 0.00 H ATOM 567 HA VAL A 35 12.747 0.427 -4.909 1.00 0.00 H ATOM 568 HB VAL A 35 13.292 0.165 -7.889 1.00 0.00 H ATOM 569 1HG1 VAL A 35 11.049 1.060 -8.285 1.00 0.00 H ATOM 570 2HG1 VAL A 35 11.001 -0.540 -7.506 1.00 0.00 H ATOM 571 3HG1 VAL A 35 10.691 0.928 -6.547 1.00 0.00 H ATOM 572 1HG2 VAL A 35 12.929 2.612 -7.825 1.00 0.00 H ATOM 573 2HG2 VAL A 35 12.634 2.521 -6.072 1.00 0.00 H ATOM 574 3HG2 VAL A 35 14.242 2.128 -6.726 1.00 0.00 H ATOM 575 N GLU A 36 12.846 -2.427 -6.576 1.00 0.00 N ATOM 576 CA GLU A 36 12.283 -3.771 -6.621 1.00 0.00 C ATOM 577 C GLU A 36 12.277 -4.412 -5.239 1.00 0.00 C ATOM 578 O GLU A 36 11.271 -4.979 -4.811 1.00 0.00 O ATOM 579 CB GLU A 36 13.072 -4.648 -7.596 1.00 0.00 C ATOM 580 CG GLU A 36 12.583 -6.087 -7.685 1.00 0.00 C ATOM 581 CD GLU A 36 13.380 -6.917 -8.652 1.00 0.00 C ATOM 582 OE1 GLU A 36 14.139 -6.353 -9.405 1.00 0.00 O ATOM 583 OE2 GLU A 36 13.231 -8.116 -8.639 1.00 0.00 O ATOM 584 H GLU A 36 13.629 -2.202 -7.173 1.00 0.00 H ATOM 585 HA GLU A 36 11.255 -3.705 -6.980 1.00 0.00 H ATOM 586 1HB GLU A 36 13.023 -4.215 -8.595 1.00 0.00 H ATOM 587 2HB GLU A 36 14.121 -4.669 -7.300 1.00 0.00 H ATOM 588 1HG GLU A 36 12.644 -6.542 -6.697 1.00 0.00 H ATOM 589 2HG GLU A 36 11.538 -6.086 -7.990 1.00 0.00 H ATOM 590 N TYR A 37 13.405 -4.318 -4.543 1.00 0.00 N ATOM 591 CA TYR A 37 13.521 -4.860 -3.195 1.00 0.00 C ATOM 592 C TYR A 37 12.469 -4.263 -2.269 1.00 0.00 C ATOM 593 O TYR A 37 11.746 -4.988 -1.586 1.00 0.00 O ATOM 594 CB TYR A 37 14.924 -4.609 -2.636 1.00 0.00 C ATOM 595 CG TYR A 37 15.119 -5.120 -1.226 1.00 0.00 C ATOM 596 CD1 TYR A 37 15.259 -6.480 -0.994 1.00 0.00 C ATOM 597 CD2 TYR A 37 15.159 -4.228 -0.165 1.00 0.00 C ATOM 598 CE1 TYR A 37 15.438 -6.947 0.294 1.00 0.00 C ATOM 599 CE2 TYR A 37 15.338 -4.694 1.123 1.00 0.00 C ATOM 600 CZ TYR A 37 15.477 -6.047 1.354 1.00 0.00 C ATOM 601 OH TYR A 37 15.655 -6.512 2.637 1.00 0.00 O ATOM 602 H TYR A 37 14.203 -3.859 -4.960 1.00 0.00 H ATOM 603 HA TYR A 37 13.374 -5.939 -3.242 1.00 0.00 H ATOM 604 1HB TYR A 37 15.663 -5.090 -3.278 1.00 0.00 H ATOM 605 2HB TYR A 37 15.132 -3.539 -2.643 1.00 0.00 H ATOM 606 HD1 TYR A 37 15.228 -7.181 -1.828 1.00 0.00 H ATOM 607 HD2 TYR A 37 15.049 -3.159 -0.347 1.00 0.00 H ATOM 608 HE1 TYR A 37 15.547 -8.015 0.476 1.00 0.00 H ATOM 609 HE2 TYR A 37 15.369 -3.993 1.958 1.00 0.00 H ATOM 610 HH TYR A 37 15.642 -5.772 3.249 1.00 0.00 H ATOM 611 N VAL A 38 12.389 -2.937 -2.250 1.00 0.00 N ATOM 612 CA VAL A 38 11.453 -2.238 -1.377 1.00 0.00 C ATOM 613 C VAL A 38 10.014 -2.638 -1.680 1.00 0.00 C ATOM 614 O VAL A 38 9.220 -2.871 -0.769 1.00 0.00 O ATOM 615 CB VAL A 38 11.605 -0.715 -1.541 1.00 0.00 C ATOM 616 CG1 VAL A 38 10.435 0.010 -0.892 1.00 0.00 C ATOM 617 CG2 VAL A 38 12.924 -0.258 -0.937 1.00 0.00 C ATOM 618 H VAL A 38 12.992 -2.399 -2.856 1.00 0.00 H ATOM 619 HA VAL A 38 11.679 -2.504 -0.344 1.00 0.00 H ATOM 620 HB VAL A 38 11.586 -0.469 -2.603 1.00 0.00 H ATOM 621 1HG1 VAL A 38 10.558 1.086 -1.018 1.00 0.00 H ATOM 622 2HG1 VAL A 38 9.505 -0.305 -1.364 1.00 0.00 H ATOM 623 3HG1 VAL A 38 10.403 -0.229 0.171 1.00 0.00 H ATOM 624 1HG2 VAL A 38 13.025 0.820 -1.057 1.00 0.00 H ATOM 625 2HG2 VAL A 38 12.945 -0.509 0.123 1.00 0.00 H ATOM 626 3HG2 VAL A 38 13.749 -0.758 -1.445 1.00 0.00 H ATOM 627 N ARG A 39 9.685 -2.715 -2.965 1.00 0.00 N ATOM 628 CA ARG A 39 8.340 -3.081 -3.391 1.00 0.00 C ATOM 629 C ARG A 39 7.944 -4.450 -2.852 1.00 0.00 C ATOM 630 O ARG A 39 6.785 -4.682 -2.510 1.00 0.00 O ATOM 631 CB ARG A 39 8.242 -3.090 -4.909 1.00 0.00 C ATOM 632 CG ARG A 39 8.180 -1.714 -5.554 1.00 0.00 C ATOM 633 CD ARG A 39 8.232 -1.800 -7.036 1.00 0.00 C ATOM 634 NE ARG A 39 8.012 -0.506 -7.662 1.00 0.00 N ATOM 635 CZ ARG A 39 8.301 -0.218 -8.946 1.00 0.00 C ATOM 636 NH1 ARG A 39 8.820 -1.141 -9.726 1.00 0.00 N ATOM 637 NH2 ARG A 39 8.063 0.991 -9.422 1.00 0.00 N ATOM 638 H ARG A 39 10.385 -2.515 -3.665 1.00 0.00 H ATOM 639 HA ARG A 39 7.641 -2.338 -3.005 1.00 0.00 H ATOM 640 1HB ARG A 39 9.104 -3.610 -5.326 1.00 0.00 H ATOM 641 2HB ARG A 39 7.350 -3.638 -5.214 1.00 0.00 H ATOM 642 1HG ARG A 39 7.249 -1.222 -5.272 1.00 0.00 H ATOM 643 2HG ARG A 39 9.025 -1.114 -5.215 1.00 0.00 H ATOM 644 1HD ARG A 39 9.211 -2.166 -7.345 1.00 0.00 H ATOM 645 2HD ARG A 39 7.462 -2.485 -7.389 1.00 0.00 H ATOM 646 HE ARG A 39 7.614 0.229 -7.094 1.00 0.00 H ATOM 647 1HH1 ARG A 39 9.002 -2.066 -9.362 1.00 0.00 H ATOM 648 2HH1 ARG A 39 9.037 -0.925 -10.688 1.00 0.00 H ATOM 649 1HH2 ARG A 39 7.663 1.701 -8.823 1.00 0.00 H ATOM 650 2HH2 ARG A 39 8.279 1.207 -10.384 1.00 0.00 H ATOM 651 N LYS A 40 8.915 -5.354 -2.777 1.00 0.00 N ATOM 652 CA LYS A 40 8.676 -6.695 -2.258 1.00 0.00 C ATOM 653 C LYS A 40 8.529 -6.680 -0.741 1.00 0.00 C ATOM 654 O LYS A 40 7.622 -7.302 -0.190 1.00 0.00 O ATOM 655 CB LYS A 40 9.807 -7.638 -2.667 1.00 0.00 C ATOM 656 CG LYS A 40 9.825 -7.993 -4.148 1.00 0.00 C ATOM 657 CD LYS A 40 11.031 -8.853 -4.496 1.00 0.00 C ATOM 658 CE LYS A 40 11.028 -9.244 -5.966 1.00 0.00 C ATOM 659 NZ LYS A 40 12.261 -9.985 -6.348 1.00 0.00 N ATOM 660 H LYS A 40 9.843 -5.105 -3.089 1.00 0.00 H ATOM 661 HA LYS A 40 7.751 -7.075 -2.694 1.00 0.00 H ATOM 662 1HB LYS A 40 10.767 -7.184 -2.420 1.00 0.00 H ATOM 663 2HB LYS A 40 9.730 -8.567 -2.102 1.00 0.00 H ATOM 664 1HG LYS A 40 8.916 -8.538 -4.403 1.00 0.00 H ATOM 665 2HG LYS A 40 9.859 -7.079 -4.741 1.00 0.00 H ATOM 666 1HD LYS A 40 11.947 -8.301 -4.277 1.00 0.00 H ATOM 667 2HD LYS A 40 11.020 -9.758 -3.889 1.00 0.00 H ATOM 668 1HE LYS A 40 10.162 -9.872 -6.173 1.00 0.00 H ATOM 669 2HE LYS A 40 10.954 -8.348 -6.581 1.00 0.00 H ATOM 670 1HZ LYS A 40 12.220 -10.226 -7.328 1.00 0.00 H ATOM 671 2HZ LYS A 40 13.070 -9.405 -6.178 1.00 0.00 H ATOM 672 3HZ LYS A 40 12.331 -10.829 -5.797 1.00 0.00 H ATOM 673 N VAL A 41 9.428 -5.965 -0.072 1.00 0.00 N ATOM 674 CA VAL A 41 9.491 -5.984 1.384 1.00 0.00 C ATOM 675 C VAL A 41 8.205 -5.445 1.998 1.00 0.00 C ATOM 676 O VAL A 41 7.666 -6.025 2.941 1.00 0.00 O ATOM 677 CB VAL A 41 10.684 -5.144 1.878 1.00 0.00 C ATOM 678 CG1 VAL A 41 10.588 -4.913 3.379 1.00 0.00 C ATOM 679 CG2 VAL A 41 11.989 -5.838 1.521 1.00 0.00 C ATOM 680 H VAL A 41 10.083 -5.394 -0.586 1.00 0.00 H ATOM 681 HA VAL A 41 9.630 -7.015 1.711 1.00 0.00 H ATOM 682 HB VAL A 41 10.650 -4.165 1.400 1.00 0.00 H ATOM 683 1HG1 VAL A 41 11.439 -4.317 3.711 1.00 0.00 H ATOM 684 2HG1 VAL A 41 9.663 -4.383 3.607 1.00 0.00 H ATOM 685 3HG1 VAL A 41 10.594 -5.873 3.895 1.00 0.00 H ATOM 686 1HG2 VAL A 41 12.828 -5.238 1.873 1.00 0.00 H ATOM 687 2HG2 VAL A 41 12.021 -6.819 1.995 1.00 0.00 H ATOM 688 3HG2 VAL A 41 12.055 -5.955 0.439 1.00 0.00 H ATOM 689 N PHE A 42 7.719 -4.333 1.459 1.00 0.00 N ATOM 690 CA PHE A 42 6.607 -3.610 2.066 1.00 0.00 C ATOM 691 C PHE A 42 5.299 -3.903 1.342 1.00 0.00 C ATOM 692 O PHE A 42 4.394 -3.069 1.314 1.00 0.00 O ATOM 693 CB PHE A 42 6.877 -2.104 2.052 1.00 0.00 C ATOM 694 CG PHE A 42 8.016 -1.685 2.938 1.00 0.00 C ATOM 695 CD1 PHE A 42 9.292 -1.521 2.421 1.00 0.00 C ATOM 696 CD2 PHE A 42 7.813 -1.454 4.290 1.00 0.00 C ATOM 697 CE1 PHE A 42 10.340 -1.136 3.235 1.00 0.00 C ATOM 698 CE2 PHE A 42 8.858 -1.067 5.106 1.00 0.00 C ATOM 699 CZ PHE A 42 10.123 -0.908 4.577 1.00 0.00 C ATOM 700 H PHE A 42 8.129 -3.979 0.607 1.00 0.00 H ATOM 701 HA PHE A 42 6.511 -3.930 3.104 1.00 0.00 H ATOM 702 1HB PHE A 42 7.102 -1.785 1.035 1.00 0.00 H ATOM 703 2HB PHE A 42 5.983 -1.571 2.372 1.00 0.00 H ATOM 704 HD1 PHE A 42 9.463 -1.700 1.359 1.00 0.00 H ATOM 705 HD2 PHE A 42 6.813 -1.579 4.707 1.00 0.00 H ATOM 706 HE1 PHE A 42 11.338 -1.011 2.815 1.00 0.00 H ATOM 707 HE2 PHE A 42 8.685 -0.888 6.167 1.00 0.00 H ATOM 708 HZ PHE A 42 10.949 -0.605 5.220 1.00 0.00 H ATOM 709 N SER A 43 5.206 -5.092 0.756 1.00 0.00 N ATOM 710 CA SER A 43 3.961 -5.554 0.155 1.00 0.00 C ATOM 711 C SER A 43 3.528 -6.890 0.744 1.00 0.00 C ATOM 712 O SER A 43 4.361 -7.697 1.157 1.00 0.00 O ATOM 713 OXT SER A 43 2.362 -7.167 0.810 1.00 0.00 O ATOM 714 CB SER A 43 4.123 -5.683 -1.347 1.00 0.00 C ATOM 715 OG SER A 43 4.261 -4.424 -1.947 1.00 0.00 O ATOM 716 H SER A 43 6.019 -5.691 0.727 1.00 0.00 H ATOM 717 HA SER A 43 3.184 -4.815 0.355 1.00 0.00 H ATOM 718 1HB SER A 43 5.000 -6.291 -1.568 1.00 0.00 H ATOM 719 2HB SER A 43 3.257 -6.194 -1.764 1.00 0.00 H ATOM 720 HG SER A 43 5.191 -4.338 -2.171 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE nods_new_heeh_25.bp_pass_20160822011947_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_intra_sol_xover4 lk_ball_wtd fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun p_aa_pp yhh_planarity ref rama_prepro total weights 1 0.55 1 0.005 1 1 1 1.25 1 1 1 1 1.25 0.4 0.7 0.6 0.625 1 0.45 NA pose -245.985 33.8276 142.075 0.58416 8.08279 -6.74903 -75.0122 0.2094 -21.7888 -5.33918 -6.85001 -10.9229 0 1.58396 59.5565 -9.93943 0.00203 6.76336 -7.86861 -137.771 ILE:NtermProteinFull_1 -4.06821 0.42102 2.03335 0.04663 0.23664 -0.18316 -0.8862 0 0 0 0 0 0 0.01161 0.60589 0 0 2.30374 0 0.5213 GLU_2 -3.88322 0.22899 4.91081 0.00712 0.75303 -0.12333 -3.35372 0 0 0 0 -0.55865 0 -0.00326 2.88005 -0.33935 0 -2.72453 -0.32013 -2.52619 GLU_3 -4.58663 0.39579 3.34342 0.00545 0.26769 -0.34943 -0.935 0 0 0 0 0 0 0.08229 3.21347 -0.3039 0 -2.72453 -0.6249 -2.21627 VAL_4 -8.32361 1.65428 2.41612 0.01978 0.05134 -0.1562 -1.42318 0 0 0 0 0 0 -0.00104 0.03009 -0.32403 0 2.64269 -0.29166 -3.70544 LYS_5 -5.28044 0.17788 5.85405 0.0121 0.21245 -0.02165 -4.29838 0 0 0 0 -0.55865 0 -0.04308 2.19202 -0.0143 0 -0.71458 -0.22589 -2.70847 LYS_6 -4.3656 0.17343 4.38125 0.00717 0.11372 -0.27035 -1.5001 0 0 0 0 0 0 -0.02304 1.1705 -0.00196 0 -0.71458 -0.33441 -1.36398 ILE_7 -7.4547 0.95976 2.63738 0.02806 0.07213 -0.10379 -1.88137 0 0 0 0 0 0 -0.04884 0.1111 -0.47465 0 2.30374 -0.12615 -3.97733 VAL_8 -8.02631 1.22564 2.671 0.02269 0.05501 -0.25094 -2.02714 0 0 0 0 0 0 0.00337 0.40864 -0.20449 0 2.64269 -0.11101 -3.59084 SER_9 -4.10099 0.21726 4.76451 0.00141 0.02379 -0.13394 -3.2612 0 0 0 0 0 0 0.0647 0.44882 0.31764 0 -0.28969 -0.08982 -2.03752 GLU_10 -5.92182 0.29865 6.37587 0.00749 0.342 0.15939 -3.59995 0 0 0 0 -0.83874 0 -0.01438 2.98999 -0.11989 0 -2.72453 -0.20502 -3.25093 ILE_11 -10.8857 1.94937 3.37827 0.02958 0.07149 0.00193 -2.35043 0 0 0 0 0 0 -0.02315 0.309 -0.39624 0 2.30374 -0.15507 -5.76725 GLN_12 -5.17197 0.16027 4.43767 0.00599 0.16906 -0.11903 -2.28373 0 0 0 -0.85965 -0.86799 0 0.02545 2.49484 -0.19121 0 -1.45095 -0.16508 -3.81633 SER_13 -3.07752 0.14784 3.45644 0.00136 0.02364 -0.14213 -1.35791 0 0 0 0 0 0 -0.02863 0.40781 0.31521 0 -0.28969 -0.21495 -0.75852 LYS_14 -4.99845 0.65617 4.41359 0.00768 0.14411 0.12817 -2.52937 0 0 0 0 -0.83874 0 -0.03374 0.87202 -0.101 0 -0.71458 -0.22064 -3.21477 GLN_15 -4.53644 0.63578 3.85441 0.0101 0.55068 -0.05998 -1.18301 0 0 0 -0.85965 0 0 -0.05165 1.944 -0.28515 0 -1.45095 -0.20156 -1.63344 LEU_16 -6.94308 0.97141 2.76709 0.0161 0.05445 -0.22658 -0.73507 0 0 0 0 0 0 0.02414 0.26708 -0.28638 0 1.66147 -0.20717 -2.63654 THR_17 -5.87311 0.52349 2.88889 0.00687 0.08383 -0.23894 -1.22972 0 0 0 0 -0.7068 0 -0.04786 0.00105 -0.46886 0 1.15175 -0.33355 -4.24297 ARG_18 -5.44813 0.60152 3.09371 0.01572 0.34559 -0.08076 -1.57567 0 0 0 0 -0.79379 0 0.14209 2.33 -0.21622 0 -0.09474 -0.16475 -1.84544 ILE_19 -6.77703 1.08018 1.10538 0.03377 0.08411 0.18399 -1.87046 0 0 0 0 0 0 -0.02599 3.21241 -0.08914 0 2.30374 -0.01285 -0.77188 THR_20 -4.72647 1.01082 2.03551 0.00977 0.05584 -0.32734 -0.86877 0 0 0 0 -1.15052 0 0.12238 0.05121 -0.14716 0 1.15175 0.09954 -2.68346 ILE_21 -6.49292 1.22128 1.85816 0.02445 0.12214 -0.34028 -1.07407 0 0 0 0 0 0 0.05953 2.15109 -0.54009 0 2.30374 0.00102 -0.70595 ASN_22 -2.02087 0.25815 1.43797 0.00699 0.31585 -0.39245 0.34857 0 0 0 0 0 0 0.06887 1.50436 -0.95398 0 -1.34026 -0.43061 -1.1974 GLY_23 -1.94456 0.31292 1.54654 6e-05 0 -0.2426 0.09969 0 0 0 0 0 0 -0.14989 0 -1.49577 0 0.79816 -0.70861 -1.78406 ASN_24 -3.8892 0.39772 4.10151 0.0054 0.28064 -0.30626 -2.1127 0 0 0 0 0 0 -0.06441 2.52758 -0.50931 0 -1.34026 -0.42356 -1.33284 THR_25 -3.60357 0.62866 2.12317 0.01108 0.05396 -0.14669 -0.75337 0 0 0 0 -1.15052 0 -0.0363 0.11707 -0.02763 0 1.15175 -0.03157 -1.66398 TYR_26 -6.90141 1.21678 1.8176 0.02167 0.10794 -0.0901 -1.61177 0 0 0 0 0 0 0.05507 2.28422 -0.07112 0.00182 0.58223 0.05956 -2.52752 GLN_27 -4.96399 0.27478 4.44768 0.01472 0.43998 0.19171 -2.84582 0 0 0 -0.86384 -1.50059 0 -0.04071 2.87081 0.29239 0 -1.45095 0.02366 -3.11016 VAL_28 -7.88899 1.93476 2.04346 0.01796 0.03908 0.1614 -1.74313 0 0 0 -0.86384 0 0 0.0165 0.01112 -0.19923 0 2.64269 0.30714 -3.52109 ASN_29 -2.37694 0.1081 2.27218 0.00513 0.27954 -0.04654 -1.28257 0 0 0 -0.51514 -0.54496 0 -0.0423 2.25499 -0.01838 0 -1.34026 0.36314 -0.884 SER_30 -5.18229 1.35957 5.10981 0.00174 0.08394 -0.20529 -1.16432 0.00046 0 0 -0.71851 0 0 0.02092 0.5711 -0.37953 0 -0.28969 0.02289 -0.76921 PRO_31 -6.83162 1.7008 3.33659 0.00276 0.04461 -0.15857 -1.19029 0.20895 0 0 0 0 0 -0.07054 0.6062 -0.03411 0 -1.64321 -0.19718 -4.2256 GLU_32 -4.14135 0.37588 4.05327 0.00761 0.79258 -0.11372 -1.55068 0 0 0 0 -0.86799 0 0.8168 2.81817 -0.29095 0 -2.72453 -0.39837 -1.22327 GLU_33 -6.2277 0.42033 6.30835 0.00578 0.26123 0.06088 -3.66131 0 0 0 -1.23365 -0.54496 0 -0.0017 2.62829 -0.34203 0 -2.72453 -0.56871 -5.61972 LEU_34 -11.3818 2.45466 2.28683 0.02293 0.14649 -0.34742 -1.71486 0 0 0 0 0 0 0.06114 2.522 -0.26659 0 1.66147 -0.46356 -5.01867 VAL_35 -8.44971 1.57878 3.20801 0.02283 0.05403 -0.27707 -2.15448 0 0 0 0 0 0 0.08509 0.56302 -0.271 0 2.64269 -0.18309 -3.18089 GLU_36 -5.14457 0.26955 5.53033 0.009 0.34916 -0.30558 -2.35916 0 0 0 0 0 0 0.04373 2.74841 -0.0495 0 -2.72453 -0.15445 -1.78762 TYR_37 -8.8367 1.41925 2.89654 0.02168 0.26623 -0.31599 -1.85 0 0 0 0 0 0 -0.00461 1.40405 -0.43727 0.00021 0.58223 -0.12372 -4.9781 VAL_38 -8.79949 1.25441 1.8436 0.02222 0.05494 -0.14989 -1.98306 0 0 0 0 0 0 -0.03876 0.28312 -0.20836 0 2.64269 -0.0958 -5.17438 ARG_39 -6.83691 0.68959 4.29727 0.0115 0.1958 -0.30937 -1.94176 0 0 0 -0.46786 0 0 -0.00129 1.93848 -0.18455 0 -0.09474 -0.33438 -3.03822 LYS_40 -4.6267 0.31731 5.1971 0.00721 0.11342 -0.37293 -1.88728 0 0 0 0 0 0 0.0838 1.24562 -0.07046 0 -0.71458 -0.32517 -1.03268 VAL_41 -5.31272 0.72302 1.16562 0.02148 0.05426 -0.20624 -0.55706 0 0 0 0 0 0 0.40289 0.19595 -0.28208 0 2.64269 -0.15925 -1.31144 PHE_42 -7.14894 1.24038 1.24848 0.02357 0.26866 -0.42381 -1.7982 0 0 0 0 0 0 0.18873 1.59145 -0.26878 0 1.21829 -0.11205 -3.97221 SER:CtermProteinFull_43 -2.53283 0.18133 3.12629 0.00152 0.04774 -0.09812 -1.07418 0 0 0 -0.46786 0 0 0 0.77939 0 0 -0.28969 -0.03089 -0.35731 #END_POSE_ENERGIES_TABLE nods_new_heeh_25.bp_pass_20160822011947_0001.pdb AlaCount 0 bb -0.124138 buried_minus_exposed 3744.43 buried_np 5348.22 buried_over_exposed 3.33473 cavity_volume 0 contact_all 344 contact_core_SASA 344 contact_core_SCN 172 degree 9.51163 dslf_quality_check 0 entropy 0 exposed_hydrophobics 1603.78 exposed_polars 1524.94 exposed_total 3128.73 fxn_exposed_is_np 0.512599 helix_sc 0.817015 holes -0.405615 loop_sc 0.808428 mean_dslf 0 mismatch_probability 0.258482 one_core_each 0.75 pack 0.759333 percent_core_SASA 0.139502 percent_core_SCN 0.162753 res_count_core_SASA 6 res_count_core_SCN 7 ss_contributes_core 1 ss_sc 0.813713 two_core_each 0.25 unsat_hbond 5 unsat_hbond2 1
HEEH_rd4_0097.pdb
ATOM 1 N ASP A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA ASP A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C ASP A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O ASP A 1 1.282 2.378 -0.262 1.00 0.00 O ATOM 5 CB ASP A 1 1.995 -0.762 -1.214 1.00 0.00 C ATOM 6 CG ASP A 1 3.413 -1.278 -1.011 1.00 0.00 C ATOM 7 OD1 ASP A 1 4.006 -0.949 -0.011 1.00 0.00 O ATOM 8 OD2 ASP A 1 3.889 -1.997 -1.857 1.00 0.00 O ATOM 9 1H ASP A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 10 2H ASP A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 11 3H ASP A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 12 HA ASP A 1 1.804 -0.509 0.900 1.00 0.00 H ATOM 13 1HB ASP A 1 1.342 -1.609 -1.430 1.00 0.00 H ATOM 14 2HB ASP A 1 1.983 -0.109 -2.088 1.00 0.00 H ATOM 15 N VAL A 2 3.298 1.549 0.295 1.00 0.00 N ATOM 16 CA VAL A 2 3.937 2.857 0.381 1.00 0.00 C ATOM 17 C VAL A 2 4.034 3.514 -0.990 1.00 0.00 C ATOM 18 O VAL A 2 3.732 4.698 -1.144 1.00 0.00 O ATOM 19 CB VAL A 2 5.348 2.724 0.984 1.00 0.00 C ATOM 20 CG1 VAL A 2 6.085 4.053 0.914 1.00 0.00 C ATOM 21 CG2 VAL A 2 5.252 2.235 2.422 1.00 0.00 C ATOM 22 H VAL A 2 3.850 0.720 0.464 1.00 0.00 H ATOM 23 HA VAL A 2 3.336 3.493 1.032 1.00 0.00 H ATOM 24 HB VAL A 2 5.919 2.008 0.393 1.00 0.00 H ATOM 25 1HG1 VAL A 2 7.080 3.940 1.345 1.00 0.00 H ATOM 26 2HG1 VAL A 2 6.173 4.366 -0.126 1.00 0.00 H ATOM 27 3HG1 VAL A 2 5.531 4.806 1.475 1.00 0.00 H ATOM 28 1HG2 VAL A 2 6.254 2.142 2.841 1.00 0.00 H ATOM 29 2HG2 VAL A 2 4.676 2.948 3.011 1.00 0.00 H ATOM 30 3HG2 VAL A 2 4.759 1.263 2.443 1.00 0.00 H ATOM 31 N GLU A 3 4.457 2.740 -1.983 1.00 0.00 N ATOM 32 CA GLU A 3 4.585 3.243 -3.345 1.00 0.00 C ATOM 33 C GLU A 3 3.276 3.850 -3.834 1.00 0.00 C ATOM 34 O GLU A 3 3.266 4.919 -4.444 1.00 0.00 O ATOM 35 CB GLU A 3 5.023 2.121 -4.289 1.00 0.00 C ATOM 36 CG GLU A 3 5.152 2.540 -5.747 1.00 0.00 C ATOM 37 CD GLU A 3 5.599 1.417 -6.641 1.00 0.00 C ATOM 38 OE1 GLU A 3 5.992 0.397 -6.130 1.00 0.00 O ATOM 39 OE2 GLU A 3 5.547 1.581 -7.837 1.00 0.00 O ATOM 40 H GLU A 3 4.696 1.778 -1.789 1.00 0.00 H ATOM 41 HA GLU A 3 5.355 4.016 -3.358 1.00 0.00 H ATOM 42 1HB GLU A 3 5.988 1.729 -3.967 1.00 0.00 H ATOM 43 2HB GLU A 3 4.304 1.303 -4.239 1.00 0.00 H ATOM 44 1HG GLU A 3 4.187 2.906 -6.096 1.00 0.00 H ATOM 45 2HG GLU A 3 5.867 3.360 -5.816 1.00 0.00 H ATOM 46 N GLU A 4 2.173 3.161 -3.563 1.00 0.00 N ATOM 47 CA GLU A 4 0.852 3.649 -3.941 1.00 0.00 C ATOM 48 C GLU A 4 0.554 4.992 -3.286 1.00 0.00 C ATOM 49 O GLU A 4 0.124 5.935 -3.950 1.00 0.00 O ATOM 50 CB GLU A 4 -0.223 2.632 -3.555 1.00 0.00 C ATOM 51 CG GLU A 4 -1.646 3.070 -3.871 1.00 0.00 C ATOM 52 CD GLU A 4 -2.678 2.067 -3.437 1.00 0.00 C ATOM 53 OE1 GLU A 4 -2.304 0.975 -3.082 1.00 0.00 O ATOM 54 OE2 GLU A 4 -3.841 2.393 -3.461 1.00 0.00 O ATOM 55 H GLU A 4 2.252 2.275 -3.083 1.00 0.00 H ATOM 56 HA GLU A 4 0.827 3.775 -5.024 1.00 0.00 H ATOM 57 1HB GLU A 4 -0.039 1.692 -4.075 1.00 0.00 H ATOM 58 2HB GLU A 4 -0.166 2.430 -2.485 1.00 0.00 H ATOM 59 1HG GLU A 4 -1.844 4.017 -3.370 1.00 0.00 H ATOM 60 2HG GLU A 4 -1.734 3.233 -4.945 1.00 0.00 H ATOM 61 N GLN A 5 0.785 5.072 -1.980 1.00 0.00 N ATOM 62 CA GLN A 5 0.585 6.313 -1.242 1.00 0.00 C ATOM 63 C GLN A 5 1.392 7.452 -1.851 1.00 0.00 C ATOM 64 O GLN A 5 0.887 8.562 -2.022 1.00 0.00 O ATOM 65 CB GLN A 5 0.969 6.129 0.229 1.00 0.00 C ATOM 66 CG GLN A 5 0.728 7.355 1.093 1.00 0.00 C ATOM 67 CD GLN A 5 1.176 7.149 2.528 1.00 0.00 C ATOM 68 OE1 GLN A 5 1.779 6.126 2.864 1.00 0.00 O ATOM 69 NE2 GLN A 5 0.884 8.122 3.383 1.00 0.00 N ATOM 70 H GLN A 5 1.107 4.252 -1.486 1.00 0.00 H ATOM 71 HA GLN A 5 -0.473 6.573 -1.282 1.00 0.00 H ATOM 72 1HB GLN A 5 0.399 5.302 0.653 1.00 0.00 H ATOM 73 2HB GLN A 5 2.025 5.869 0.300 1.00 0.00 H ATOM 74 1HG GLN A 5 1.286 8.194 0.678 1.00 0.00 H ATOM 75 2HG GLN A 5 -0.338 7.581 1.097 1.00 0.00 H ATOM 76 1HE2 GLN A 5 1.154 8.042 4.344 1.00 0.00 H ATOM 77 2HE2 GLN A 5 0.394 8.935 3.069 1.00 0.00 H ATOM 78 N ILE A 6 2.649 7.172 -2.177 1.00 0.00 N ATOM 79 CA ILE A 6 3.524 8.168 -2.784 1.00 0.00 C ATOM 80 C ILE A 6 2.959 8.662 -4.110 1.00 0.00 C ATOM 81 O ILE A 6 2.864 9.866 -4.345 1.00 0.00 O ATOM 82 CB ILE A 6 4.935 7.596 -3.008 1.00 0.00 C ATOM 83 CG1 ILE A 6 5.647 7.389 -1.668 1.00 0.00 C ATOM 84 CG2 ILE A 6 5.746 8.517 -3.908 1.00 0.00 C ATOM 85 CD1 ILE A 6 6.912 6.569 -1.769 1.00 0.00 C ATOM 86 H ILE A 6 3.009 6.245 -1.999 1.00 0.00 H ATOM 87 HA ILE A 6 3.609 9.016 -2.103 1.00 0.00 H ATOM 88 HB ILE A 6 4.861 6.617 -3.479 1.00 0.00 H ATOM 89 1HG1 ILE A 6 5.901 8.357 -1.238 1.00 0.00 H ATOM 90 2HG1 ILE A 6 4.972 6.890 -0.972 1.00 0.00 H ATOM 91 1HG2 ILE A 6 6.741 8.098 -4.055 1.00 0.00 H ATOM 92 2HG2 ILE A 6 5.247 8.614 -4.871 1.00 0.00 H ATOM 93 3HG2 ILE A 6 5.831 9.498 -3.442 1.00 0.00 H ATOM 94 1HD1 ILE A 6 7.358 6.465 -0.780 1.00 0.00 H ATOM 95 2HD1 ILE A 6 6.675 5.581 -2.165 1.00 0.00 H ATOM 96 3HD1 ILE A 6 7.616 7.067 -2.434 1.00 0.00 H ATOM 97 N ARG A 7 2.585 7.724 -4.974 1.00 0.00 N ATOM 98 CA ARG A 7 2.084 8.061 -6.301 1.00 0.00 C ATOM 99 C ARG A 7 0.825 8.913 -6.215 1.00 0.00 C ATOM 100 O ARG A 7 0.640 9.846 -6.996 1.00 0.00 O ATOM 101 CB ARG A 7 1.785 6.799 -7.097 1.00 0.00 C ATOM 102 CG ARG A 7 3.012 6.044 -7.583 1.00 0.00 C ATOM 103 CD ARG A 7 2.640 4.826 -8.348 1.00 0.00 C ATOM 104 NE ARG A 7 3.810 4.074 -8.772 1.00 0.00 N ATOM 105 CZ ARG A 7 4.539 4.348 -9.871 1.00 0.00 C ATOM 106 NH1 ARG A 7 4.208 5.358 -10.645 1.00 0.00 N ATOM 107 NH2 ARG A 7 5.588 3.602 -10.171 1.00 0.00 N ATOM 108 H ARG A 7 2.649 6.753 -4.704 1.00 0.00 H ATOM 109 HA ARG A 7 2.854 8.626 -6.828 1.00 0.00 H ATOM 110 1HB ARG A 7 1.198 6.114 -6.486 1.00 0.00 H ATOM 111 2HB ARG A 7 1.186 7.053 -7.971 1.00 0.00 H ATOM 112 1HG ARG A 7 3.603 6.690 -8.233 1.00 0.00 H ATOM 113 2HG ARG A 7 3.616 5.740 -6.728 1.00 0.00 H ATOM 114 1HD ARG A 7 2.025 4.178 -7.724 1.00 0.00 H ATOM 115 2HD ARG A 7 2.079 5.112 -9.237 1.00 0.00 H ATOM 116 HE ARG A 7 4.096 3.289 -8.202 1.00 0.00 H ATOM 117 1HH1 ARG A 7 3.406 5.928 -10.415 1.00 0.00 H ATOM 118 2HH1 ARG A 7 4.755 5.564 -11.468 1.00 0.00 H ATOM 119 1HH2 ARG A 7 5.843 2.825 -9.576 1.00 0.00 H ATOM 120 2HH2 ARG A 7 6.135 3.808 -10.994 1.00 0.00 H ATOM 121 N ARG A 8 -0.040 8.587 -5.260 1.00 0.00 N ATOM 122 CA ARG A 8 -1.249 9.367 -5.023 1.00 0.00 C ATOM 123 C ARG A 8 -0.912 10.781 -4.567 1.00 0.00 C ATOM 124 O ARG A 8 -1.548 11.747 -4.988 1.00 0.00 O ATOM 125 CB ARG A 8 -2.123 8.694 -3.974 1.00 0.00 C ATOM 126 CG ARG A 8 -2.823 7.428 -4.442 1.00 0.00 C ATOM 127 CD ARG A 8 -3.653 6.829 -3.366 1.00 0.00 C ATOM 128 NE ARG A 8 -4.269 5.581 -3.786 1.00 0.00 N ATOM 129 CZ ARG A 8 -5.401 5.494 -4.512 1.00 0.00 C ATOM 130 NH1 ARG A 8 -6.027 6.587 -4.888 1.00 0.00 N ATOM 131 NH2 ARG A 8 -5.883 4.309 -4.845 1.00 0.00 N ATOM 132 H ARG A 8 0.145 7.779 -4.683 1.00 0.00 H ATOM 133 HA ARG A 8 -1.812 9.425 -5.955 1.00 0.00 H ATOM 134 1HB ARG A 8 -1.516 8.434 -3.108 1.00 0.00 H ATOM 135 2HB ARG A 8 -2.891 9.391 -3.639 1.00 0.00 H ATOM 136 1HG ARG A 8 -3.473 7.662 -5.286 1.00 0.00 H ATOM 137 2HG ARG A 8 -2.079 6.693 -4.751 1.00 0.00 H ATOM 138 1HD ARG A 8 -3.028 6.625 -2.496 1.00 0.00 H ATOM 139 2HD ARG A 8 -4.445 7.524 -3.088 1.00 0.00 H ATOM 140 HE ARG A 8 -3.816 4.719 -3.516 1.00 0.00 H ATOM 141 1HH1 ARG A 8 -5.659 7.493 -4.633 1.00 0.00 H ATOM 142 2HH1 ARG A 8 -6.875 6.521 -5.432 1.00 0.00 H ATOM 143 1HH2 ARG A 8 -5.401 3.468 -4.555 1.00 0.00 H ATOM 144 2HH2 ARG A 8 -6.730 4.243 -5.388 1.00 0.00 H ATOM 145 N LEU A 9 0.091 10.896 -3.704 1.00 0.00 N ATOM 146 CA LEU A 9 0.505 12.191 -3.178 1.00 0.00 C ATOM 147 C LEU A 9 1.201 13.023 -4.246 1.00 0.00 C ATOM 148 O LEU A 9 1.054 14.245 -4.289 1.00 0.00 O ATOM 149 CB LEU A 9 1.441 12.001 -1.978 1.00 0.00 C ATOM 150 CG LEU A 9 0.793 11.424 -0.713 1.00 0.00 C ATOM 151 CD1 LEU A 9 1.870 11.135 0.324 1.00 0.00 C ATOM 152 CD2 LEU A 9 -0.234 12.410 -0.174 1.00 0.00 C ATOM 153 H LEU A 9 0.581 10.064 -3.405 1.00 0.00 H ATOM 154 HA LEU A 9 -0.383 12.727 -2.841 1.00 0.00 H ATOM 155 1HB LEU A 9 2.249 11.332 -2.270 1.00 0.00 H ATOM 156 2HB LEU A 9 1.873 12.967 -1.718 1.00 0.00 H ATOM 157 HG LEU A 9 0.300 10.482 -0.953 1.00 0.00 H ATOM 158 1HD1 LEU A 9 1.410 10.725 1.223 1.00 0.00 H ATOM 159 2HD1 LEU A 9 2.580 10.413 -0.081 1.00 0.00 H ATOM 160 3HD1 LEU A 9 2.393 12.058 0.573 1.00 0.00 H ATOM 161 1HD2 LEU A 9 -0.695 11.999 0.725 1.00 0.00 H ATOM 162 2HD2 LEU A 9 0.258 13.352 0.069 1.00 0.00 H ATOM 163 3HD2 LEU A 9 -1.001 12.584 -0.928 1.00 0.00 H ATOM 164 N GLU A 10 1.960 12.355 -5.108 1.00 0.00 N ATOM 165 CA GLU A 10 2.693 13.034 -6.170 1.00 0.00 C ATOM 166 C GLU A 10 1.745 13.746 -7.126 1.00 0.00 C ATOM 167 O GLU A 10 1.995 14.880 -7.534 1.00 0.00 O ATOM 168 CB GLU A 10 3.558 12.036 -6.943 1.00 0.00 C ATOM 169 CG GLU A 10 4.822 11.602 -6.214 1.00 0.00 C ATOM 170 CD GLU A 10 5.550 10.491 -6.918 1.00 0.00 C ATOM 171 OE1 GLU A 10 4.989 9.913 -7.817 1.00 0.00 O ATOM 172 OE2 GLU A 10 6.671 10.219 -6.555 1.00 0.00 O ATOM 173 H GLU A 10 2.031 11.351 -5.026 1.00 0.00 H ATOM 174 HA GLU A 10 3.353 13.774 -5.716 1.00 0.00 H ATOM 175 1HB GLU A 10 2.974 11.141 -7.162 1.00 0.00 H ATOM 176 2HB GLU A 10 3.855 12.474 -7.896 1.00 0.00 H ATOM 177 1HG GLU A 10 5.489 12.458 -6.124 1.00 0.00 H ATOM 178 2HG GLU A 10 4.555 11.277 -5.210 1.00 0.00 H ATOM 179 N GLU A 11 0.655 13.074 -7.480 1.00 0.00 N ATOM 180 CA GLU A 11 -0.327 13.636 -8.400 1.00 0.00 C ATOM 181 C GLU A 11 -0.948 14.906 -7.834 1.00 0.00 C ATOM 182 O GLU A 11 -0.984 15.941 -8.500 1.00 0.00 O ATOM 183 CB GLU A 11 -1.422 12.611 -8.703 1.00 0.00 C ATOM 184 CG GLU A 11 -2.521 13.119 -9.625 1.00 0.00 C ATOM 185 CD GLU A 11 -3.579 12.087 -9.899 1.00 0.00 C ATOM 186 OE1 GLU A 11 -3.445 10.985 -9.423 1.00 0.00 O ATOM 187 OE2 GLU A 11 -4.522 12.400 -10.587 1.00 0.00 O ATOM 188 H GLU A 11 0.502 12.150 -7.102 1.00 0.00 H ATOM 189 HA GLU A 11 0.177 13.880 -9.337 1.00 0.00 H ATOM 190 1HB GLU A 11 -0.978 11.729 -9.166 1.00 0.00 H ATOM 191 2HB GLU A 11 -1.889 12.291 -7.771 1.00 0.00 H ATOM 192 1HG GLU A 11 -2.991 13.990 -9.168 1.00 0.00 H ATOM 193 2HG GLU A 11 -2.074 13.434 -10.567 1.00 0.00 H ATOM 194 N VAL A 12 -1.437 14.821 -6.602 1.00 0.00 N ATOM 195 CA VAL A 12 -2.139 15.936 -5.977 1.00 0.00 C ATOM 196 C VAL A 12 -1.177 17.063 -5.623 1.00 0.00 C ATOM 197 O VAL A 12 -1.570 18.227 -5.548 1.00 0.00 O ATOM 198 CB VAL A 12 -2.865 15.464 -4.703 1.00 0.00 C ATOM 199 CG1 VAL A 12 -3.928 14.432 -5.048 1.00 0.00 C ATOM 200 CG2 VAL A 12 -1.859 14.894 -3.715 1.00 0.00 C ATOM 201 H VAL A 12 -1.319 13.962 -6.084 1.00 0.00 H ATOM 202 HA VAL A 12 -2.879 16.317 -6.682 1.00 0.00 H ATOM 203 HB VAL A 12 -3.376 16.315 -4.252 1.00 0.00 H ATOM 204 1HG1 VAL A 12 -4.431 14.110 -4.135 1.00 0.00 H ATOM 205 2HG1 VAL A 12 -4.657 14.873 -5.727 1.00 0.00 H ATOM 206 3HG1 VAL A 12 -3.459 13.572 -5.525 1.00 0.00 H ATOM 207 1HG2 VAL A 12 -2.379 14.563 -2.817 1.00 0.00 H ATOM 208 2HG2 VAL A 12 -1.343 14.047 -4.169 1.00 0.00 H ATOM 209 3HG2 VAL A 12 -1.132 15.662 -3.451 1.00 0.00 H ATOM 210 N LEU A 13 0.085 16.710 -5.404 1.00 0.00 N ATOM 211 CA LEU A 13 1.135 17.702 -5.205 1.00 0.00 C ATOM 212 C LEU A 13 1.310 18.574 -6.442 1.00 0.00 C ATOM 213 O LEU A 13 1.331 19.802 -6.349 1.00 0.00 O ATOM 214 CB LEU A 13 2.462 17.010 -4.868 1.00 0.00 C ATOM 215 CG LEU A 13 3.669 17.939 -4.686 1.00 0.00 C ATOM 216 CD1 LEU A 13 3.420 18.870 -3.507 1.00 0.00 C ATOM 217 CD2 LEU A 13 4.923 17.105 -4.469 1.00 0.00 C ATOM 218 H LEU A 13 0.324 15.729 -5.375 1.00 0.00 H ATOM 219 HA LEU A 13 0.855 18.338 -4.365 1.00 0.00 H ATOM 220 1HB LEU A 13 2.335 16.446 -3.946 1.00 0.00 H ATOM 221 2HB LEU A 13 2.701 16.309 -5.668 1.00 0.00 H ATOM 222 HG LEU A 13 3.792 18.555 -5.577 1.00 0.00 H ATOM 223 1HD1 LEU A 13 4.278 19.530 -3.377 1.00 0.00 H ATOM 224 2HD1 LEU A 13 2.529 19.467 -3.697 1.00 0.00 H ATOM 225 3HD1 LEU A 13 3.276 18.280 -2.602 1.00 0.00 H ATOM 226 1HD2 LEU A 13 5.781 17.765 -4.340 1.00 0.00 H ATOM 227 2HD2 LEU A 13 4.801 16.489 -3.578 1.00 0.00 H ATOM 228 3HD2 LEU A 13 5.086 16.462 -5.334 1.00 0.00 H ATOM 229 N LYS A 14 1.435 17.933 -7.599 1.00 0.00 N ATOM 230 CA LYS A 14 1.626 18.650 -8.854 1.00 0.00 C ATOM 231 C LYS A 14 0.380 19.438 -9.235 1.00 0.00 C ATOM 232 O LYS A 14 0.472 20.531 -9.793 1.00 0.00 O ATOM 233 CB LYS A 14 1.995 17.676 -9.975 1.00 0.00 C ATOM 234 CG LYS A 14 3.382 17.060 -9.842 1.00 0.00 C ATOM 235 CD LYS A 14 3.650 16.059 -10.956 1.00 0.00 C ATOM 236 CE LYS A 14 5.023 15.420 -10.807 1.00 0.00 C ATOM 237 NZ LYS A 14 5.282 14.406 -11.865 1.00 0.00 N ATOM 238 H LYS A 14 1.396 16.924 -7.609 1.00 0.00 H ATOM 239 HA LYS A 14 2.457 19.346 -8.732 1.00 0.00 H ATOM 240 1HB LYS A 14 1.269 16.863 -10.005 1.00 0.00 H ATOM 241 2HB LYS A 14 1.948 18.192 -10.935 1.00 0.00 H ATOM 242 1HG LYS A 14 4.135 17.848 -9.884 1.00 0.00 H ATOM 243 2HG LYS A 14 3.464 16.553 -8.882 1.00 0.00 H ATOM 244 1HD LYS A 14 2.890 15.277 -10.933 1.00 0.00 H ATOM 245 2HD LYS A 14 3.598 16.564 -11.920 1.00 0.00 H ATOM 246 1HE LYS A 14 5.791 16.190 -10.864 1.00 0.00 H ATOM 247 2HE LYS A 14 5.096 14.936 -9.833 1.00 0.00 H ATOM 248 1HZ LYS A 14 6.200 14.006 -11.731 1.00 0.00 H ATOM 249 2HZ LYS A 14 4.586 13.675 -11.810 1.00 0.00 H ATOM 250 3HZ LYS A 14 5.237 14.846 -12.773 1.00 0.00 H ATOM 251 N LYS A 15 -0.785 18.877 -8.928 1.00 0.00 N ATOM 252 CA LYS A 15 -2.053 19.519 -9.255 1.00 0.00 C ATOM 253 C LYS A 15 -2.493 20.466 -8.147 1.00 0.00 C ATOM 254 O LYS A 15 -3.489 21.177 -8.283 1.00 0.00 O ATOM 255 CB LYS A 15 -3.135 18.467 -9.509 1.00 0.00 C ATOM 256 CG LYS A 15 -2.898 17.606 -10.742 1.00 0.00 C ATOM 257 CD LYS A 15 -3.992 16.561 -10.904 1.00 0.00 C ATOM 258 CE LYS A 15 -3.801 15.751 -12.178 1.00 0.00 C ATOM 259 NZ LYS A 15 -4.813 14.668 -12.306 1.00 0.00 N ATOM 260 H LYS A 15 -0.792 17.984 -8.457 1.00 0.00 H ATOM 261 HA LYS A 15 -1.925 20.091 -10.174 1.00 0.00 H ATOM 262 1HB LYS A 15 -3.208 17.805 -8.646 1.00 0.00 H ATOM 263 2HB LYS A 15 -4.101 18.960 -9.625 1.00 0.00 H ATOM 264 1HG LYS A 15 -2.878 18.238 -11.630 1.00 0.00 H ATOM 265 2HG LYS A 15 -1.936 17.102 -10.654 1.00 0.00 H ATOM 266 1HD LYS A 15 -3.979 15.884 -10.048 1.00 0.00 H ATOM 267 2HD LYS A 15 -4.964 17.053 -10.940 1.00 0.00 H ATOM 268 1HE LYS A 15 -3.880 16.409 -13.042 1.00 0.00 H ATOM 269 2HE LYS A 15 -2.807 15.304 -12.180 1.00 0.00 H ATOM 270 1HZ LYS A 15 -4.652 14.155 -13.162 1.00 0.00 H ATOM 271 2HZ LYS A 15 -4.736 14.039 -11.518 1.00 0.00 H ATOM 272 3HZ LYS A 15 -5.738 15.071 -12.325 1.00 0.00 H ATOM 273 N ASN A 16 -1.745 20.471 -7.048 1.00 0.00 N ATOM 274 CA ASN A 16 -2.059 21.329 -5.912 1.00 0.00 C ATOM 275 C ASN A 16 -3.469 21.067 -5.396 1.00 0.00 C ATOM 276 O ASN A 16 -4.218 22.000 -5.108 1.00 0.00 O ATOM 277 CB ASN A 16 -1.890 22.791 -6.283 1.00 0.00 C ATOM 278 CG ASN A 16 -0.468 23.139 -6.624 1.00 0.00 C ATOM 279 OD1 ASN A 16 0.454 22.868 -5.846 1.00 0.00 O ATOM 280 ND2 ASN A 16 -0.271 23.735 -7.773 1.00 0.00 N ATOM 281 H ASN A 16 -0.939 19.866 -6.999 1.00 0.00 H ATOM 282 HA ASN A 16 -1.362 21.103 -5.105 1.00 0.00 H ATOM 283 1HB ASN A 16 -2.524 23.025 -7.139 1.00 0.00 H ATOM 284 2HB ASN A 16 -2.216 23.417 -5.453 1.00 0.00 H ATOM 285 1HD2 ASN A 16 0.655 23.991 -8.052 1.00 0.00 H ATOM 286 2HD2 ASN A 16 -1.047 23.935 -8.371 1.00 0.00 H ATOM 287 N GLN A 17 -3.824 19.792 -5.282 1.00 0.00 N ATOM 288 CA GLN A 17 -5.150 19.404 -4.817 1.00 0.00 C ATOM 289 C GLN A 17 -5.093 18.832 -3.406 1.00 0.00 C ATOM 290 O GLN A 17 -4.066 18.302 -2.982 1.00 0.00 O ATOM 291 CB GLN A 17 -5.776 18.383 -5.771 1.00 0.00 C ATOM 292 CG GLN A 17 -5.962 18.890 -7.190 1.00 0.00 C ATOM 293 CD GLN A 17 -6.959 20.029 -7.272 1.00 0.00 C ATOM 294 OE1 GLN A 17 -8.122 19.884 -6.884 1.00 0.00 O ATOM 295 NE2 GLN A 17 -6.511 21.172 -7.779 1.00 0.00 N ATOM 296 H GLN A 17 -3.158 19.072 -5.524 1.00 0.00 H ATOM 297 HA GLN A 17 -5.786 20.290 -4.810 1.00 0.00 H ATOM 298 1HB GLN A 17 -5.150 17.492 -5.811 1.00 0.00 H ATOM 299 2HB GLN A 17 -6.751 18.081 -5.391 1.00 0.00 H ATOM 300 1HG GLN A 17 -5.003 19.247 -7.566 1.00 0.00 H ATOM 301 2HG GLN A 17 -6.325 18.072 -7.812 1.00 0.00 H ATOM 302 1HE2 GLN A 17 -7.124 21.960 -7.859 1.00 0.00 H ATOM 303 2HE2 GLN A 17 -5.561 21.246 -8.083 1.00 0.00 H ATOM 304 N PRO A 18 -6.202 18.943 -2.683 1.00 0.00 N ATOM 305 CA PRO A 18 -6.344 18.282 -1.391 1.00 0.00 C ATOM 306 C PRO A 18 -6.452 16.771 -1.554 1.00 0.00 C ATOM 307 O PRO A 18 -6.964 16.281 -2.560 1.00 0.00 O ATOM 308 CB PRO A 18 -7.639 18.884 -0.836 1.00 0.00 C ATOM 309 CG PRO A 18 -8.455 19.176 -2.049 1.00 0.00 C ATOM 310 CD PRO A 18 -7.455 19.652 -3.068 1.00 0.00 C ATOM 311 HA PRO A 18 -5.463 18.507 -0.789 1.00 0.00 H ATOM 312 1HB PRO A 18 -8.125 18.169 -0.156 1.00 0.00 H ATOM 313 2HB PRO A 18 -7.412 19.785 -0.247 1.00 0.00 H ATOM 314 1HG PRO A 18 -8.992 18.272 -2.372 1.00 0.00 H ATOM 315 2HG PRO A 18 -9.219 19.934 -1.819 1.00 0.00 H ATOM 316 1HD PRO A 18 -7.791 19.365 -4.075 1.00 0.00 H ATOM 317 2HD PRO A 18 -7.345 20.744 -2.993 1.00 0.00 H ATOM 318 N VAL A 19 -5.966 16.038 -0.558 1.00 0.00 N ATOM 319 CA VAL A 19 -5.925 14.582 -0.628 1.00 0.00 C ATOM 320 C VAL A 19 -6.241 13.956 0.724 1.00 0.00 C ATOM 321 O VAL A 19 -5.817 14.458 1.765 1.00 0.00 O ATOM 322 CB VAL A 19 -4.537 14.109 -1.098 1.00 0.00 C ATOM 323 CG1 VAL A 19 -3.461 14.562 -0.122 1.00 0.00 C ATOM 324 CG2 VAL A 19 -4.528 12.595 -1.244 1.00 0.00 C ATOM 325 H VAL A 19 -5.616 16.501 0.269 1.00 0.00 H ATOM 326 HA VAL A 19 -6.671 14.249 -1.350 1.00 0.00 H ATOM 327 HB VAL A 19 -4.312 14.569 -2.060 1.00 0.00 H ATOM 328 1HG1 VAL A 19 -2.486 14.219 -0.470 1.00 0.00 H ATOM 329 2HG1 VAL A 19 -3.461 15.650 -0.061 1.00 0.00 H ATOM 330 3HG1 VAL A 19 -3.662 14.142 0.863 1.00 0.00 H ATOM 331 1HG2 VAL A 19 -3.544 12.267 -1.577 1.00 0.00 H ATOM 332 2HG2 VAL A 19 -4.758 12.135 -0.283 1.00 0.00 H ATOM 333 3HG2 VAL A 19 -5.277 12.296 -1.978 1.00 0.00 H ATOM 334 N THR A 20 -6.988 12.858 0.702 1.00 0.00 N ATOM 335 CA THR A 20 -7.221 12.066 1.904 1.00 0.00 C ATOM 336 C THR A 20 -6.714 10.640 1.731 1.00 0.00 C ATOM 337 O THR A 20 -6.909 10.024 0.683 1.00 0.00 O ATOM 338 CB THR A 20 -8.717 12.042 2.271 1.00 0.00 C ATOM 339 OG1 THR A 20 -9.169 13.377 2.531 1.00 0.00 O ATOM 340 CG2 THR A 20 -8.950 11.182 3.504 1.00 0.00 C ATOM 341 H THR A 20 -7.406 12.564 -0.169 1.00 0.00 H ATOM 342 HA THR A 20 -6.686 12.529 2.733 1.00 0.00 H ATOM 343 HB THR A 20 -9.289 11.635 1.437 1.00 0.00 H ATOM 344 HG1 THR A 20 -9.112 13.556 3.473 1.00 0.00 H ATOM 345 1HG2 THR A 20 -10.012 11.177 3.748 1.00 0.00 H ATOM 346 2HG2 THR A 20 -8.617 10.163 3.305 1.00 0.00 H ATOM 347 3HG2 THR A 20 -8.388 11.590 4.343 1.00 0.00 H ATOM 348 N TRP A 21 -6.061 10.120 2.765 1.00 0.00 N ATOM 349 CA TRP A 21 -5.507 8.772 2.722 1.00 0.00 C ATOM 350 C TRP A 21 -5.545 8.117 4.096 1.00 0.00 C ATOM 351 O TRP A 21 -4.923 8.600 5.042 1.00 0.00 O ATOM 352 CB TRP A 21 -4.066 8.805 2.208 1.00 0.00 C ATOM 353 CG TRP A 21 -3.488 7.444 1.961 1.00 0.00 C ATOM 354 CD1 TRP A 21 -3.651 6.679 0.845 1.00 0.00 C ATOM 355 CD2 TRP A 21 -2.646 6.676 2.855 1.00 0.00 C ATOM 356 NE1 TRP A 21 -2.973 5.493 0.981 1.00 0.00 N ATOM 357 CE2 TRP A 21 -2.351 5.475 2.204 1.00 0.00 C ATOM 358 CE3 TRP A 21 -2.127 6.908 4.134 1.00 0.00 C ATOM 359 CZ2 TRP A 21 -1.558 4.500 2.789 1.00 0.00 C ATOM 360 CZ3 TRP A 21 -1.331 5.931 4.720 1.00 0.00 C ATOM 361 CH2 TRP A 21 -1.054 4.759 4.064 1.00 0.00 C ATOM 362 H TRP A 21 -5.947 10.673 3.603 1.00 0.00 H ATOM 363 HA TRP A 21 -6.104 8.174 2.033 1.00 0.00 H ATOM 364 1HB TRP A 21 -4.025 9.368 1.275 1.00 0.00 H ATOM 365 2HB TRP A 21 -3.434 9.320 2.930 1.00 0.00 H ATOM 366 HD1 TRP A 21 -4.234 6.967 -0.028 1.00 0.00 H ATOM 367 HE1 TRP A 21 -2.937 4.754 0.295 1.00 0.00 H ATOM 368 HE3 TRP A 21 -2.342 7.839 4.659 1.00 0.00 H ATOM 369 HZ2 TRP A 21 -1.327 3.562 2.284 1.00 0.00 H ATOM 370 HZ3 TRP A 21 -0.931 6.120 5.717 1.00 0.00 H ATOM 371 HH2 TRP A 21 -0.425 4.013 4.552 1.00 0.00 H ATOM 372 N ASN A 22 -6.278 7.014 4.200 1.00 0.00 N ATOM 373 CA ASN A 22 -6.485 6.349 5.481 1.00 0.00 C ATOM 374 C ASN A 22 -6.957 7.333 6.543 1.00 0.00 C ATOM 375 O ASN A 22 -6.542 7.260 7.700 1.00 0.00 O ATOM 376 CB ASN A 22 -5.215 5.648 5.930 1.00 0.00 C ATOM 377 CG ASN A 22 -4.854 4.486 5.047 1.00 0.00 C ATOM 378 OD1 ASN A 22 -5.526 4.220 4.043 1.00 0.00 O ATOM 379 ND2 ASN A 22 -3.806 3.787 5.401 1.00 0.00 N ATOM 380 H ASN A 22 -6.703 6.626 3.370 1.00 0.00 H ATOM 381 HA ASN A 22 -7.271 5.601 5.361 1.00 0.00 H ATOM 382 1HB ASN A 22 -4.388 6.359 5.932 1.00 0.00 H ATOM 383 2HB ASN A 22 -5.340 5.288 6.951 1.00 0.00 H ATOM 384 1HD2 ASN A 22 -3.518 3.002 4.850 1.00 0.00 H ATOM 385 2HD2 ASN A 22 -3.292 4.038 6.220 1.00 0.00 H ATOM 386 N GLY A 23 -7.827 8.255 6.143 1.00 0.00 N ATOM 387 CA GLY A 23 -8.483 9.150 7.088 1.00 0.00 C ATOM 388 C GLY A 23 -7.709 10.453 7.242 1.00 0.00 C ATOM 389 O GLY A 23 -8.256 11.462 7.687 1.00 0.00 O ATOM 390 H GLY A 23 -8.038 8.337 5.159 1.00 0.00 H ATOM 391 1HA GLY A 23 -9.496 9.363 6.745 1.00 0.00 H ATOM 392 2HA GLY A 23 -8.570 8.657 8.056 1.00 0.00 H ATOM 393 N THR A 24 -6.433 10.424 6.873 1.00 0.00 N ATOM 394 CA THR A 24 -5.567 11.588 7.017 1.00 0.00 C ATOM 395 C THR A 24 -5.672 12.506 5.807 1.00 0.00 C ATOM 396 O THR A 24 -5.533 12.065 4.666 1.00 0.00 O ATOM 397 CB THR A 24 -4.100 11.166 7.220 1.00 0.00 C ATOM 398 OG1 THR A 24 -3.989 10.370 8.408 1.00 0.00 O ATOM 399 CG2 THR A 24 -3.206 12.389 7.349 1.00 0.00 C ATOM 400 H THR A 24 -6.053 9.574 6.482 1.00 0.00 H ATOM 401 HA THR A 24 -5.877 12.141 7.905 1.00 0.00 H ATOM 402 HB THR A 24 -3.772 10.570 6.369 1.00 0.00 H ATOM 403 HG1 THR A 24 -4.277 9.473 8.219 1.00 0.00 H ATOM 404 1HG2 THR A 24 -2.173 12.071 7.492 1.00 0.00 H ATOM 405 2HG2 THR A 24 -3.279 12.990 6.443 1.00 0.00 H ATOM 406 3HG2 THR A 24 -3.523 12.983 8.205 1.00 0.00 H ATOM 407 N THR A 25 -5.919 13.787 6.062 1.00 0.00 N ATOM 408 CA THR A 25 -6.136 14.753 4.992 1.00 0.00 C ATOM 409 C THR A 25 -4.995 15.759 4.918 1.00 0.00 C ATOM 410 O THR A 25 -4.537 16.269 5.941 1.00 0.00 O ATOM 411 CB THR A 25 -7.471 15.498 5.180 1.00 0.00 C ATOM 412 OG1 THR A 25 -8.556 14.563 5.116 1.00 0.00 O ATOM 413 CG2 THR A 25 -7.650 16.552 4.098 1.00 0.00 C ATOM 414 H THR A 25 -5.957 14.099 7.022 1.00 0.00 H ATOM 415 HA THR A 25 -6.189 14.215 4.045 1.00 0.00 H ATOM 416 HB THR A 25 -7.483 15.982 6.156 1.00 0.00 H ATOM 417 HG1 THR A 25 -8.776 14.391 4.198 1.00 0.00 H ATOM 418 1HG2 THR A 25 -8.598 17.068 4.247 1.00 0.00 H ATOM 419 2HG2 THR A 25 -6.833 17.271 4.151 1.00 0.00 H ATOM 420 3HG2 THR A 25 -7.649 16.072 3.120 1.00 0.00 H ATOM 421 N TYR A 26 -4.538 16.040 3.702 1.00 0.00 N ATOM 422 CA TYR A 26 -3.572 17.108 3.475 1.00 0.00 C ATOM 423 C TYR A 26 -4.133 18.168 2.536 1.00 0.00 C ATOM 424 O TYR A 26 -4.791 17.849 1.546 1.00 0.00 O ATOM 425 CB TYR A 26 -2.268 16.538 2.912 1.00 0.00 C ATOM 426 CG TYR A 26 -1.634 15.482 3.791 1.00 0.00 C ATOM 427 CD1 TYR A 26 -1.953 14.145 3.607 1.00 0.00 C ATOM 428 CD2 TYR A 26 -0.734 15.851 4.779 1.00 0.00 C ATOM 429 CE1 TYR A 26 -1.374 13.180 4.409 1.00 0.00 C ATOM 430 CE2 TYR A 26 -0.155 14.886 5.581 1.00 0.00 C ATOM 431 CZ TYR A 26 -0.473 13.556 5.399 1.00 0.00 C ATOM 432 OH TYR A 26 0.103 12.595 6.197 1.00 0.00 O ATOM 433 H TYR A 26 -4.870 15.501 2.915 1.00 0.00 H ATOM 434 HA TYR A 26 -3.341 17.576 4.433 1.00 0.00 H ATOM 435 1HB TYR A 26 -2.455 16.098 1.932 1.00 0.00 H ATOM 436 2HB TYR A 26 -1.547 17.344 2.776 1.00 0.00 H ATOM 437 HD1 TYR A 26 -2.661 13.855 2.830 1.00 0.00 H ATOM 438 HD2 TYR A 26 -0.484 16.902 4.924 1.00 0.00 H ATOM 439 HE1 TYR A 26 -1.625 12.129 4.265 1.00 0.00 H ATOM 440 HE2 TYR A 26 0.552 15.176 6.359 1.00 0.00 H ATOM 441 HH TYR A 26 0.698 13.015 6.823 1.00 0.00 H ATOM 442 N THR A 27 -3.868 19.431 2.853 1.00 0.00 N ATOM 443 CA THR A 27 -4.325 20.541 2.025 1.00 0.00 C ATOM 444 C THR A 27 -3.162 21.432 1.607 1.00 0.00 C ATOM 445 O THR A 27 -3.339 22.385 0.848 1.00 0.00 O ATOM 446 CB THR A 27 -5.384 21.383 2.760 1.00 0.00 C ATOM 447 OG1 THR A 27 -4.810 21.946 3.947 1.00 0.00 O ATOM 448 CG2 THR A 27 -6.580 20.523 3.139 1.00 0.00 C ATOM 449 H THR A 27 -3.337 19.628 3.689 1.00 0.00 H ATOM 450 HA THR A 27 -4.792 20.133 1.127 1.00 0.00 H ATOM 451 HB THR A 27 -5.717 22.194 2.114 1.00 0.00 H ATOM 452 HG1 THR A 27 -4.288 22.717 3.715 1.00 0.00 H ATOM 453 1HG2 THR A 27 -7.318 21.134 3.657 1.00 0.00 H ATOM 454 2HG2 THR A 27 -7.026 20.103 2.237 1.00 0.00 H ATOM 455 3HG2 THR A 27 -6.255 19.715 3.793 1.00 0.00 H ATOM 456 N ASP A 28 -1.972 21.117 2.108 1.00 0.00 N ATOM 457 CA ASP A 28 -0.802 21.958 1.890 1.00 0.00 C ATOM 458 C ASP A 28 0.248 21.236 1.055 1.00 0.00 C ATOM 459 O ASP A 28 0.886 20.293 1.523 1.00 0.00 O ATOM 460 CB ASP A 28 -0.193 22.388 3.227 1.00 0.00 C ATOM 461 CG ASP A 28 0.949 23.382 3.065 1.00 0.00 C ATOM 462 OD1 ASP A 28 1.312 23.664 1.948 1.00 0.00 O ATOM 463 OD2 ASP A 28 1.447 23.851 4.061 1.00 0.00 O ATOM 464 H ASP A 28 -1.876 20.273 2.654 1.00 0.00 H ATOM 465 HA ASP A 28 -1.116 22.856 1.356 1.00 0.00 H ATOM 466 1HB ASP A 28 -0.965 22.841 3.849 1.00 0.00 H ATOM 467 2HB ASP A 28 0.181 21.510 3.755 1.00 0.00 H ATOM 468 N PRO A 29 0.423 21.684 -0.183 1.00 0.00 N ATOM 469 CA PRO A 29 1.388 21.073 -1.090 1.00 0.00 C ATOM 470 C PRO A 29 2.762 20.965 -0.440 1.00 0.00 C ATOM 471 O PRO A 29 3.562 20.101 -0.799 1.00 0.00 O ATOM 472 CB PRO A 29 1.401 22.038 -2.280 1.00 0.00 C ATOM 473 CG PRO A 29 0.021 22.600 -2.310 1.00 0.00 C ATOM 474 CD PRO A 29 -0.346 22.770 -0.860 1.00 0.00 C ATOM 475 HA PRO A 29 1.040 20.071 -1.341 1.00 0.00 H ATOM 476 1HB PRO A 29 2.172 22.808 -2.132 1.00 0.00 H ATOM 477 2HB PRO A 29 1.661 21.495 -3.201 1.00 0.00 H ATOM 478 1HG PRO A 29 0.010 23.550 -2.864 1.00 0.00 H ATOM 479 2HG PRO A 29 -0.657 21.915 -2.840 1.00 0.00 H ATOM 480 1HD PRO A 29 -0.025 23.764 -0.514 1.00 0.00 H ATOM 481 2HD PRO A 29 -1.432 22.649 -0.739 1.00 0.00 H ATOM 482 N ASN A 30 3.029 21.846 0.518 1.00 0.00 N ATOM 483 CA ASN A 30 4.319 21.872 1.196 1.00 0.00 C ATOM 484 C ASN A 30 4.455 20.706 2.167 1.00 0.00 C ATOM 485 O ASN A 30 5.540 20.150 2.336 1.00 0.00 O ATOM 486 CB ASN A 30 4.517 23.193 1.917 1.00 0.00 C ATOM 487 CG ASN A 30 4.654 24.353 0.971 1.00 0.00 C ATOM 488 OD1 ASN A 30 5.728 24.583 0.403 1.00 0.00 O ATOM 489 ND2 ASN A 30 3.586 25.088 0.789 1.00 0.00 N ATOM 490 H ASN A 30 2.320 22.514 0.783 1.00 0.00 H ATOM 491 HA ASN A 30 5.107 21.796 0.445 1.00 0.00 H ATOM 492 1HB ASN A 30 3.669 23.377 2.579 1.00 0.00 H ATOM 493 2HB ASN A 30 5.411 23.138 2.538 1.00 0.00 H ATOM 494 1HD2 ASN A 30 3.619 25.874 0.170 1.00 0.00 H ATOM 495 2HD2 ASN A 30 2.739 24.865 1.269 1.00 0.00 H ATOM 496 N GLU A 31 3.347 20.340 2.803 1.00 0.00 N ATOM 497 CA GLU A 31 3.322 19.188 3.697 1.00 0.00 C ATOM 498 C GLU A 31 3.279 17.883 2.912 1.00 0.00 C ATOM 499 O GLU A 31 3.905 16.896 3.296 1.00 0.00 O ATOM 500 CB GLU A 31 2.118 19.269 4.637 1.00 0.00 C ATOM 501 CG GLU A 31 2.087 18.193 5.713 1.00 0.00 C ATOM 502 CD GLU A 31 0.976 18.391 6.706 1.00 0.00 C ATOM 503 OE1 GLU A 31 0.232 19.330 6.558 1.00 0.00 O ATOM 504 OE2 GLU A 31 0.870 17.600 7.615 1.00 0.00 O ATOM 505 H GLU A 31 2.501 20.874 2.664 1.00 0.00 H ATOM 506 HA GLU A 31 4.228 19.201 4.304 1.00 0.00 H ATOM 507 1HB GLU A 31 2.109 20.240 5.134 1.00 0.00 H ATOM 508 2HB GLU A 31 1.198 19.190 4.058 1.00 0.00 H ATOM 509 1HG GLU A 31 1.964 17.221 5.237 1.00 0.00 H ATOM 510 2HG GLU A 31 3.041 18.192 6.238 1.00 0.00 H ATOM 511 N ILE A 32 2.536 17.885 1.811 1.00 0.00 N ATOM 512 CA ILE A 32 2.447 16.716 0.944 1.00 0.00 C ATOM 513 C ILE A 32 3.819 16.318 0.414 1.00 0.00 C ATOM 514 O ILE A 32 4.185 15.143 0.432 1.00 0.00 O ATOM 515 CB ILE A 32 1.497 16.980 -0.238 1.00 0.00 C ATOM 516 CG1 ILE A 32 0.051 17.093 0.254 1.00 0.00 C ATOM 517 CG2 ILE A 32 1.624 15.878 -1.279 1.00 0.00 C ATOM 518 CD1 ILE A 32 -0.905 17.641 -0.781 1.00 0.00 C ATOM 519 H ILE A 32 2.018 18.718 1.568 1.00 0.00 H ATOM 520 HA ILE A 32 2.042 15.886 1.523 1.00 0.00 H ATOM 521 HB ILE A 32 1.747 17.934 -0.701 1.00 0.00 H ATOM 522 1HG1 ILE A 32 -0.305 16.111 0.562 1.00 0.00 H ATOM 523 2HG1 ILE A 32 0.014 17.742 1.129 1.00 0.00 H ATOM 524 1HG2 ILE A 32 0.945 16.079 -2.107 1.00 0.00 H ATOM 525 2HG2 ILE A 32 2.647 15.844 -1.649 1.00 0.00 H ATOM 526 3HG2 ILE A 32 1.370 14.919 -0.826 1.00 0.00 H ATOM 527 1HD1 ILE A 32 -1.908 17.691 -0.358 1.00 0.00 H ATOM 528 2HD1 ILE A 32 -0.585 18.640 -1.078 1.00 0.00 H ATOM 529 3HD1 ILE A 32 -0.911 16.987 -1.652 1.00 0.00 H ATOM 530 N LYS A 33 4.575 17.305 -0.056 1.00 0.00 N ATOM 531 CA LYS A 33 5.950 17.078 -0.486 1.00 0.00 C ATOM 532 C LYS A 33 6.781 16.457 0.629 1.00 0.00 C ATOM 533 O LYS A 33 7.491 15.475 0.413 1.00 0.00 O ATOM 534 CB LYS A 33 6.588 18.388 -0.951 1.00 0.00 C ATOM 535 CG LYS A 33 8.019 18.246 -1.453 1.00 0.00 C ATOM 536 CD LYS A 33 8.567 19.578 -1.944 1.00 0.00 C ATOM 537 CE LYS A 33 9.955 19.418 -2.546 1.00 0.00 C ATOM 538 NZ LYS A 33 10.970 19.059 -1.519 1.00 0.00 N ATOM 539 H LYS A 33 4.188 18.235 -0.117 1.00 0.00 H ATOM 540 HA LYS A 33 5.938 16.394 -1.336 1.00 0.00 H ATOM 541 1HB LYS A 33 5.992 18.817 -1.757 1.00 0.00 H ATOM 542 2HB LYS A 33 6.591 19.103 -0.129 1.00 0.00 H ATOM 543 1HG LYS A 33 8.653 17.878 -0.645 1.00 0.00 H ATOM 544 2HG LYS A 33 8.049 17.527 -2.271 1.00 0.00 H ATOM 545 1HD LYS A 33 7.897 19.990 -2.700 1.00 0.00 H ATOM 546 2HD LYS A 33 8.621 20.279 -1.111 1.00 0.00 H ATOM 547 1HE LYS A 33 9.934 18.639 -3.307 1.00 0.00 H ATOM 548 2HE LYS A 33 10.254 20.352 -3.023 1.00 0.00 H ATOM 549 1HZ LYS A 33 11.875 18.963 -1.957 1.00 0.00 H ATOM 550 2HZ LYS A 33 11.011 19.785 -0.817 1.00 0.00 H ATOM 551 3HZ LYS A 33 10.713 18.185 -1.083 1.00 0.00 H ATOM 552 N LYS A 34 6.687 17.035 1.822 1.00 0.00 N ATOM 553 CA LYS A 34 7.423 16.533 2.976 1.00 0.00 C ATOM 554 C LYS A 34 7.107 15.065 3.234 1.00 0.00 C ATOM 555 O LYS A 34 8.010 14.253 3.439 1.00 0.00 O ATOM 556 CB LYS A 34 7.103 17.365 4.218 1.00 0.00 C ATOM 557 CG LYS A 34 7.854 16.938 5.473 1.00 0.00 C ATOM 558 CD LYS A 34 7.533 17.850 6.647 1.00 0.00 C ATOM 559 CE LYS A 34 8.382 17.508 7.863 1.00 0.00 C ATOM 560 NZ LYS A 34 8.016 16.189 8.444 1.00 0.00 N ATOM 561 H LYS A 34 6.092 17.843 1.931 1.00 0.00 H ATOM 562 HA LYS A 34 8.490 16.631 2.776 1.00 0.00 H ATOM 563 1HB LYS A 34 7.342 18.412 4.026 1.00 0.00 H ATOM 564 2HB LYS A 34 6.036 17.307 4.431 1.00 0.00 H ATOM 565 1HG LYS A 34 7.577 15.915 5.732 1.00 0.00 H ATOM 566 2HG LYS A 34 8.926 16.967 5.283 1.00 0.00 H ATOM 567 1HD LYS A 34 7.719 18.887 6.364 1.00 0.00 H ATOM 568 2HD LYS A 34 6.481 17.748 6.911 1.00 0.00 H ATOM 569 1HE LYS A 34 9.433 17.487 7.578 1.00 0.00 H ATOM 570 2HE LYS A 34 8.251 18.276 8.625 1.00 0.00 H ATOM 571 1HZ LYS A 34 8.600 16.000 9.246 1.00 0.00 H ATOM 572 2HZ LYS A 34 7.046 16.203 8.730 1.00 0.00 H ATOM 573 3HZ LYS A 34 8.151 15.466 7.752 1.00 0.00 H ATOM 574 N VAL A 35 5.822 14.730 3.223 1.00 0.00 N ATOM 575 CA VAL A 35 5.384 13.361 3.467 1.00 0.00 C ATOM 576 C VAL A 35 5.968 12.404 2.437 1.00 0.00 C ATOM 577 O VAL A 35 6.429 11.315 2.778 1.00 0.00 O ATOM 578 CB VAL A 35 3.847 13.277 3.429 1.00 0.00 C ATOM 579 CG1 VAL A 35 3.393 11.825 3.412 1.00 0.00 C ATOM 580 CG2 VAL A 35 3.258 14.012 4.624 1.00 0.00 C ATOM 581 H VAL A 35 5.130 15.443 3.039 1.00 0.00 H ATOM 582 HA VAL A 35 5.727 13.060 4.458 1.00 0.00 H ATOM 583 HB VAL A 35 3.489 13.736 2.507 1.00 0.00 H ATOM 584 1HG1 VAL A 35 2.304 11.784 3.385 1.00 0.00 H ATOM 585 2HG1 VAL A 35 3.796 11.328 2.530 1.00 0.00 H ATOM 586 3HG1 VAL A 35 3.752 11.321 4.310 1.00 0.00 H ATOM 587 1HG2 VAL A 35 2.171 13.949 4.590 1.00 0.00 H ATOM 588 2HG2 VAL A 35 3.620 13.556 5.546 1.00 0.00 H ATOM 589 3HG2 VAL A 35 3.561 15.058 4.593 1.00 0.00 H ATOM 590 N ILE A 36 5.945 12.816 1.174 1.00 0.00 N ATOM 591 CA ILE A 36 6.491 12.004 0.093 1.00 0.00 C ATOM 592 C ILE A 36 7.961 11.682 0.334 1.00 0.00 C ATOM 593 O ILE A 36 8.391 10.541 0.170 1.00 0.00 O ATOM 594 CB ILE A 36 6.338 12.718 -1.262 1.00 0.00 C ATOM 595 CG1 ILE A 36 4.867 12.744 -1.688 1.00 0.00 C ATOM 596 CG2 ILE A 36 7.191 12.038 -2.322 1.00 0.00 C ATOM 597 CD1 ILE A 36 4.580 13.687 -2.834 1.00 0.00 C ATOM 598 H ILE A 36 5.538 13.714 0.957 1.00 0.00 H ATOM 599 HA ILE A 36 5.932 11.069 0.045 1.00 0.00 H ATOM 600 HB ILE A 36 6.655 13.756 -1.164 1.00 0.00 H ATOM 601 1HG1 ILE A 36 4.557 11.742 -1.985 1.00 0.00 H ATOM 602 2HG1 ILE A 36 4.248 13.040 -0.841 1.00 0.00 H ATOM 603 1HG2 ILE A 36 7.070 12.555 -3.273 1.00 0.00 H ATOM 604 2HG2 ILE A 36 8.237 12.071 -2.022 1.00 0.00 H ATOM 605 3HG2 ILE A 36 6.876 11.000 -2.431 1.00 0.00 H ATOM 606 1HD1 ILE A 36 3.518 13.650 -3.079 1.00 0.00 H ATOM 607 2HD1 ILE A 36 4.851 14.703 -2.546 1.00 0.00 H ATOM 608 3HD1 ILE A 36 5.163 13.389 -3.705 1.00 0.00 H ATOM 609 N GLU A 37 8.726 12.696 0.725 1.00 0.00 N ATOM 610 CA GLU A 37 10.149 12.522 0.991 1.00 0.00 C ATOM 611 C GLU A 37 10.382 11.524 2.117 1.00 0.00 C ATOM 612 O GLU A 37 11.293 10.699 2.050 1.00 0.00 O ATOM 613 CB GLU A 37 10.793 13.865 1.345 1.00 0.00 C ATOM 614 CG GLU A 37 10.912 14.833 0.177 1.00 0.00 C ATOM 615 CD GLU A 37 11.462 16.173 0.581 1.00 0.00 C ATOM 616 OE1 GLU A 37 11.691 16.372 1.749 1.00 0.00 O ATOM 617 OE2 GLU A 37 11.653 16.998 -0.281 1.00 0.00 O ATOM 618 H GLU A 37 8.312 13.609 0.842 1.00 0.00 H ATOM 619 HA GLU A 37 10.627 12.146 0.086 1.00 0.00 H ATOM 620 1HB GLU A 37 10.210 14.353 2.126 1.00 0.00 H ATOM 621 2HB GLU A 37 11.794 13.695 1.742 1.00 0.00 H ATOM 622 1HG GLU A 37 11.566 14.397 -0.578 1.00 0.00 H ATOM 623 2HG GLU A 37 9.928 14.969 -0.270 1.00 0.00 H ATOM 624 N GLU A 38 9.553 11.603 3.152 1.00 0.00 N ATOM 625 CA GLU A 38 9.634 10.674 4.273 1.00 0.00 C ATOM 626 C GLU A 38 9.285 9.256 3.839 1.00 0.00 C ATOM 627 O GLU A 38 9.921 8.292 4.265 1.00 0.00 O ATOM 628 CB GLU A 38 8.702 11.117 5.402 1.00 0.00 C ATOM 629 CG GLU A 38 9.137 12.389 6.115 1.00 0.00 C ATOM 630 CD GLU A 38 8.153 12.842 7.157 1.00 0.00 C ATOM 631 OE1 GLU A 38 7.130 12.215 7.293 1.00 0.00 O ATOM 632 OE2 GLU A 38 8.424 13.817 7.818 1.00 0.00 O ATOM 633 H GLU A 38 8.847 12.326 3.163 1.00 0.00 H ATOM 634 HA GLU A 38 10.656 10.681 4.655 1.00 0.00 H ATOM 635 1HB GLU A 38 7.701 11.283 5.004 1.00 0.00 H ATOM 636 2HB GLU A 38 8.630 10.324 6.147 1.00 0.00 H ATOM 637 1HG GLU A 38 10.100 12.213 6.594 1.00 0.00 H ATOM 638 2HG GLU A 38 9.269 13.179 5.378 1.00 0.00 H ATOM 639 N LEU A 39 8.270 9.136 2.990 1.00 0.00 N ATOM 640 CA LEU A 39 7.835 7.835 2.495 1.00 0.00 C ATOM 641 C LEU A 39 8.905 7.192 1.621 1.00 0.00 C ATOM 642 O LEU A 39 9.148 5.989 1.706 1.00 0.00 O ATOM 643 CB LEU A 39 6.533 7.979 1.698 1.00 0.00 C ATOM 644 CG LEU A 39 5.290 8.353 2.516 1.00 0.00 C ATOM 645 CD1 LEU A 39 4.144 8.692 1.572 1.00 0.00 C ATOM 646 CD2 LEU A 39 4.920 7.198 3.434 1.00 0.00 C ATOM 647 H LEU A 39 7.788 9.967 2.679 1.00 0.00 H ATOM 648 HA LEU A 39 7.646 7.185 3.351 1.00 0.00 H ATOM 649 1HB LEU A 39 6.674 8.748 0.939 1.00 0.00 H ATOM 650 2HB LEU A 39 6.327 7.035 1.195 1.00 0.00 H ATOM 651 HG LEU A 39 5.502 9.240 3.115 1.00 0.00 H ATOM 652 1HD1 LEU A 39 3.261 8.958 2.153 1.00 0.00 H ATOM 653 2HD1 LEU A 39 4.429 9.534 0.941 1.00 0.00 H ATOM 654 3HD1 LEU A 39 3.920 7.828 0.947 1.00 0.00 H ATOM 655 1HD2 LEU A 39 4.037 7.464 4.015 1.00 0.00 H ATOM 656 2HD2 LEU A 39 4.707 6.312 2.835 1.00 0.00 H ATOM 657 3HD2 LEU A 39 5.750 6.989 4.109 1.00 0.00 H ATOM 658 N ARG A 40 9.540 8.002 0.781 1.00 0.00 N ATOM 659 CA ARG A 40 10.602 7.518 -0.093 1.00 0.00 C ATOM 660 C ARG A 40 11.791 7.010 0.713 1.00 0.00 C ATOM 661 O ARG A 40 12.346 5.952 0.417 1.00 0.00 O ATOM 662 CB ARG A 40 11.066 8.621 -1.033 1.00 0.00 C ATOM 663 CG ARG A 40 10.084 8.973 -2.140 1.00 0.00 C ATOM 664 CD ARG A 40 10.549 10.135 -2.938 1.00 0.00 C ATOM 665 NE ARG A 40 9.608 10.483 -3.990 1.00 0.00 N ATOM 666 CZ ARG A 40 9.665 11.609 -4.727 1.00 0.00 C ATOM 667 NH1 ARG A 40 10.623 12.485 -4.515 1.00 0.00 N ATOM 668 NH2 ARG A 40 8.759 11.834 -5.663 1.00 0.00 N ATOM 669 H ARG A 40 9.282 8.977 0.748 1.00 0.00 H ATOM 670 HA ARG A 40 10.209 6.697 -0.693 1.00 0.00 H ATOM 671 1HB ARG A 40 11.258 9.529 -0.462 1.00 0.00 H ATOM 672 2HB ARG A 40 12.003 8.327 -1.505 1.00 0.00 H ATOM 673 1HG ARG A 40 9.970 8.120 -2.809 1.00 0.00 H ATOM 674 2HG ARG A 40 9.116 9.223 -1.702 1.00 0.00 H ATOM 675 1HD ARG A 40 10.667 11.001 -2.287 1.00 0.00 H ATOM 676 2HD ARG A 40 11.506 9.898 -3.402 1.00 0.00 H ATOM 677 HE ARG A 40 8.857 9.833 -4.182 1.00 0.00 H ATOM 678 1HH1 ARG A 40 11.315 12.313 -3.800 1.00 0.00 H ATOM 679 2HH1 ARG A 40 10.666 13.329 -5.068 1.00 0.00 H ATOM 680 1HH2 ARG A 40 8.023 11.161 -5.825 1.00 0.00 H ATOM 681 2HH2 ARG A 40 8.802 12.678 -6.214 1.00 0.00 H ATOM 682 N LYS A 41 12.176 7.770 1.732 1.00 0.00 N ATOM 683 CA LYS A 41 13.312 7.407 2.572 1.00 0.00 C ATOM 684 C LYS A 41 12.991 6.196 3.439 1.00 0.00 C ATOM 685 O LYS A 41 13.890 5.487 3.890 1.00 0.00 O ATOM 686 CB LYS A 41 13.728 8.588 3.450 1.00 0.00 C ATOM 687 CG LYS A 41 14.358 9.747 2.689 1.00 0.00 C ATOM 688 CD LYS A 41 14.665 10.914 3.615 1.00 0.00 C ATOM 689 CE LYS A 41 15.266 12.084 2.851 1.00 0.00 C ATOM 690 NZ LYS A 41 15.533 13.250 3.737 1.00 0.00 N ATOM 691 H LYS A 41 11.670 8.621 1.931 1.00 0.00 H ATOM 692 HA LYS A 41 14.155 7.160 1.926 1.00 0.00 H ATOM 693 1HB LYS A 41 12.856 8.971 3.982 1.00 0.00 H ATOM 694 2HB LYS A 41 14.445 8.250 4.198 1.00 0.00 H ATOM 695 1HG LYS A 41 15.283 9.413 2.218 1.00 0.00 H ATOM 696 2HG LYS A 41 13.675 10.083 1.909 1.00 0.00 H ATOM 697 1HD LYS A 41 13.747 11.243 4.104 1.00 0.00 H ATOM 698 2HD LYS A 41 15.370 10.593 4.382 1.00 0.00 H ATOM 699 1HE LYS A 41 16.202 11.774 2.387 1.00 0.00 H ATOM 700 2HE LYS A 41 14.581 12.394 2.061 1.00 0.00 H ATOM 701 1HZ LYS A 41 15.930 14.003 3.193 1.00 0.00 H ATOM 702 2HZ LYS A 41 14.668 13.558 4.158 1.00 0.00 H ATOM 703 3HZ LYS A 41 16.182 12.980 4.462 1.00 0.00 H ATOM 704 N SER A 42 11.703 5.965 3.670 1.00 0.00 N ATOM 705 CA SER A 42 11.261 4.848 4.497 1.00 0.00 C ATOM 706 C SER A 42 10.983 3.612 3.650 1.00 0.00 C ATOM 707 O SER A 42 10.568 2.575 4.167 1.00 0.00 O ATOM 708 CB SER A 42 10.015 5.232 5.271 1.00 0.00 C ATOM 709 OG SER A 42 10.271 6.310 6.130 1.00 0.00 O ATOM 710 H SER A 42 11.012 6.578 3.262 1.00 0.00 H ATOM 711 HA SER A 42 12.051 4.612 5.211 1.00 0.00 H ATOM 712 1HB SER A 42 9.222 5.500 4.574 1.00 0.00 H ATOM 713 2HB SER A 42 9.668 4.377 5.849 1.00 0.00 H ATOM 714 HG SER A 42 10.263 7.096 5.578 1.00 0.00 H ATOM 715 N MET A 43 11.213 3.730 2.347 1.00 0.00 N ATOM 716 CA MET A 43 10.866 2.669 1.409 1.00 0.00 C ATOM 717 C MET A 43 12.115 2.010 0.837 1.00 0.00 C ATOM 718 O MET A 43 13.159 2.647 0.703 1.00 0.00 O ATOM 719 OXT MET A 43 12.087 0.855 0.512 1.00 0.00 O ATOM 720 CB MET A 43 9.994 3.224 0.284 1.00 0.00 C ATOM 721 CG MET A 43 9.524 2.181 -0.720 1.00 0.00 C ATOM 722 SD MET A 43 8.248 2.810 -1.829 1.00 0.00 S ATOM 723 CE MET A 43 9.183 4.007 -2.777 1.00 0.00 C ATOM 724 H MET A 43 11.639 4.576 1.997 1.00 0.00 H ATOM 725 HA MET A 43 10.284 1.915 1.939 1.00 0.00 H ATOM 726 1HB MET A 43 9.111 3.699 0.710 1.00 0.00 H ATOM 727 2HB MET A 43 10.547 3.989 -0.262 1.00 0.00 H ATOM 728 1HG MET A 43 10.369 1.848 -1.321 1.00 0.00 H ATOM 729 2HG MET A 43 9.123 1.318 -0.189 1.00 0.00 H ATOM 730 1HE MET A 43 8.529 4.483 -3.508 1.00 0.00 H ATOM 731 2HE MET A 43 9.590 4.765 -2.106 1.00 0.00 H ATOM 732 3HE MET A 43 10.000 3.504 -3.294 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE nods_new_heeh_21.bp_pass_20160819082128_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_intra_sol_xover4 lk_ball_wtd fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun p_aa_pp yhh_planarity ref rama_prepro total weights 1 0.55 1 0.005 1 1 1 1.25 1 1 1 1 1.25 0.4 0.7 0.6 0.625 1 0.45 NA pose -241.121 28.9986 164.759 0.49774 8.76162 -6.81276 -81.4106 0.19444 -24.9917 -4.20452 -3.11533 -10.9924 0 2.29937 56.0973 -10.5967 0 -5.34698 -10.1583 -137.142 ASP:NtermProteinFull_1 -2.62506 0.13679 3.51012 0.00508 0.34954 -0.01971 -2.62049 0 0 0 -0.57166 0 0 0.03254 2.98394 0 0 -2.14574 0 -0.96465 VAL_2 -5.60544 0.69629 2.52675 0.01918 0.0531 6e-05 -2.47337 0 0 0 -0.57166 0 0 -0.03895 -0.02046 -0.36014 0 2.64269 -0.07176 -3.20371 GLU_3 -5.30839 0.27816 4.68535 0.00897 0.36259 0.15286 -2.3686 0 0 0 0 -1.00088 0 0.04813 2.80423 -0.12002 0 -2.72453 -0.24038 -3.42251 GLU_4 -5.30739 0.33302 5.90177 0.0093 0.34745 0.14257 -2.70115 0 0 0 0 -0.98158 0 0.07843 2.72974 -0.01447 0 -2.72453 -0.26657 -2.45339 GLN_5 -8.7854 0.80168 5.00638 0.00929 0.23476 -0.86543 -1.53117 0 0 0 0 0 0 0.01285 2.79275 0.044 0 -1.45095 -0.1428 -3.87405 ILE_6 -10.1951 1.15323 4.3199 0.02875 0.07075 -0.28345 -1.89256 0 0 0 0 0 0 -0.00705 0.16573 -0.39115 0 2.30374 0.01507 -4.71218 ARG_7 -5.79957 0.2689 5.95986 0.01402 0.33097 0.06916 -3.06318 0 0 0 0 -1.00088 0 0.1524 2.01203 -0.13013 0 -0.09474 -0.17894 -1.46009 ARG_8 -5.69306 0.32932 5.28892 0.01406 0.33182 0.18568 -2.93621 0 0 0 0 -0.98158 0 -0.02545 1.99976 -0.08328 0 -0.09474 -0.46283 -2.12758 LEU_9 -9.32819 1.94772 2.38999 0.0176 0.07809 -0.13298 -1.88524 0 0 0 0 0 0 -0.01754 0.19054 -0.29105 0 1.66147 -0.38589 -5.75548 GLU_10 -6.98669 0.5139 6.46071 0.00618 0.26528 -0.045 -3.27638 0 0 0 0 -0.64858 0 -0.02216 2.85833 -0.16305 0 -2.72453 -0.39464 -4.15663 GLU_11 -5.16766 0.25527 5.7102 0.00899 0.33345 0.03929 -3.42479 0 0 0 0 -0.77452 0 0.03056 2.5471 0.03115 0 -2.72453 -0.25653 -3.39203 VAL_12 -8.08342 1.62382 3.08597 0.01742 0.03592 -0.05252 -1.74674 0 0 0 0 0 0 0.35128 0.43634 0.24903 0 2.64269 -0.15088 -1.59109 LEU_13 -7.59864 1.10619 3.13157 0.01745 0.16834 -0.14842 -0.57957 0 0 0 0 0 0 -0.00242 0.35856 -0.18819 0 1.66147 -0.12134 -2.19499 LYS_14 -3.38928 0.15806 3.23828 0.00724 0.12162 -0.31949 -0.65955 0 0 0 0 0 0 -0.02984 0.87751 -0.06608 0 -0.71458 -0.26559 -1.0417 LYS_15 -5.27303 0.61354 5.38615 0.00778 0.1438 -0.01699 -3.00554 0 0 0 -0.44662 -0.77452 0 -0.03375 0.85916 -0.10546 0 -0.71458 -0.53156 -3.89163 ASN_16 -3.96774 0.36446 3.87875 0.00701 0.3153 -0.55456 -0.44367 0 0 0 0 0 0 -0.06158 1.62113 -1.00743 0 -1.34026 -0.63532 -1.8239 GLN_17 -4.91727 0.78374 3.79853 0.00885 0.5626 -0.19004 -1.24293 0.02316 0 0 -0.44662 0 0 0.16861 1.60645 -0.01125 0 -1.45095 -0.54397 -1.85109 PRO_18 -2.57841 0.46545 0.96516 0.00309 0.11868 -0.14108 -0.66731 0.10309 0 0 0 0 0 0.31354 0.41255 -0.83529 0 -1.64321 -0.44132 -3.92507 VAL_19 -5.58516 1.19713 1.19377 0.02307 0.06941 0.18359 -2.01652 0 0 0 0 0 0 0.18266 0.57821 -0.27798 0 2.64269 -0.28825 -2.0974 THR_20 -3.67546 0.92158 1.63574 0.00994 0.05154 -0.16809 -0.90728 0 0 0 0 -1.18678 0 -0.00071 0.12428 -0.22756 0 1.15175 0.0337 -2.23736 TRP_21 -7.3609 0.86562 4.34257 0.01997 0.26659 -0.95537 -1.10375 0 0 0 0 0 0 0.02122 2.34851 -0.34472 0 2.26099 0.24234 0.60307 ASN_22 -3.04035 0.46249 2.05869 0.00792 0.33252 -0.55399 0.26282 0 0 0 0 0 0 0.33745 2.5754 -1.00969 0 -1.34026 -0.1749 -0.08192 GLY_23 -1.5685 0.22817 1.43538 7e-05 0 -0.2179 0.05667 0 0 0 0 0 0 -0.08811 0 -1.47533 0 0.79816 -0.60055 -1.43195 THR_24 -4.17811 0.61498 3.42401 0.00963 0.05573 -0.17865 -2.24796 0 0 0 0 0 0 0.07336 0.04378 0.00552 0 1.15175 -0.21787 -1.44384 THR_25 -3.86098 0.74915 1.89907 0.01058 0.0527 -0.17301 -0.77386 0 0 0 0 -1.18678 0 0.29206 0.11713 -0.20027 0 1.15175 0.07928 -1.84318 TYR_26 -7.36812 0.98159 2.0878 0.0217 0.28007 -0.18826 -1.74053 0 0 0 0 0 0 -0.0241 1.67611 -0.12177 0 0.58223 -0.06322 -3.8765 THR_27 -2.10698 0.17708 0.7493 0.00647 0.07238 -0.18095 0.17122 0 0 0 0 0 0 0.01841 0.01078 -0.65222 0 1.15175 -0.1957 -0.77847 ASP_28 -5.02868 1.11783 6.08955 0.00769 0.61439 0.04312 -3.46536 0.00241 0 0 -0.53939 -0.90387 0 -0.00763 1.68623 -0.32129 0 -2.14574 -0.19439 -3.04514 PRO_29 -5.25186 0.8144 2.82545 0.00227 0.0368 0.06803 -0.95364 0.06578 0 0 0 0 0 -0.19941 0.27275 -0.72779 0 -1.64321 -0.13569 -4.82612 ASN_30 -3.87712 0.69162 4.50573 0.00444 0.26961 -0.10146 -2.6488 0 0 0 -0.53939 -0.90387 0 0.24888 2.30558 0.22718 0 -1.34026 0.01231 -1.14554 GLU_31 -5.45844 0.57108 4.75494 0.00715 0.36072 -0.26202 -2.03522 0 0 0 0 0 0 0.13547 3.1526 -0.25069 0 -2.72453 -0.1465 -1.89543 ILE_32 -9.83235 0.94216 2.18925 0.02839 0.07254 -0.17682 -1.4833 0 0 0 0 0 0 0.20804 0.08616 -0.37548 0 2.30374 -0.16789 -6.20557 LYS_33 -6.08241 0.47247 5.78836 0.01051 0.33879 -0.06582 -3.68677 0 0 0 0 0 0 0.01126 1.65826 0.04736 0 -0.71458 -0.08156 -2.30413 LYS_34 -5.40539 0.47293 6.36477 0.01038 0.33392 -0.02173 -3.71856 0 0 0 0 0 0 -0.01054 1.68891 0.04021 0 -0.71458 -0.18112 -1.14081 VAL_35 -7.24851 1.0701 3.63472 0.02106 0.0545 -0.27841 -2.12741 0 0 0 0 0 0 -0.021 0.0651 -0.21383 0 2.64269 -0.18397 -2.58496 ILE_36 -10.2578 1.49902 3.92031 0.02918 0.07342 -0.27858 -2.13026 0 0 0 0 0 0 -0.01807 0.25572 -0.33828 0 2.30374 -0.07885 -5.02047 GLU_37 -5.8706 0.43568 6.70538 0.00604 0.26546 -0.10737 -4.32754 0 0 0 0 0 0 0.08551 2.5381 -0.21659 0 -2.72453 -0.2588 -3.46926 GLU_38 -5.42657 0.37503 6.68567 0.0061 0.2667 -0.04358 -4.47174 0 0 0 0 0 0 -0.00321 2.56081 -0.23506 0 -2.72453 -0.52208 -3.53245 LEU_39 -8.97224 1.17597 3.34549 0.01596 0.07342 -0.47482 -1.03417 0 0 0 0 0 0 0.03791 0.32393 -0.26208 0 1.66147 -0.3993 -4.50846 ARG_40 -6.74353 0.4831 5.22197 0.01098 0.19604 0.01065 -2.06921 0 0 0 0 -0.64858 0 -0.01952 1.65167 -0.03383 0 -0.09474 -0.31574 -2.35074 LYS_41 -3.18627 0.22323 3.32829 0.00732 0.13096 -0.24661 -0.81452 0 0 0 0 0 0 -0.03559 0.88278 -0.0533 0 -0.71458 -0.48709 -0.9654 SER_42 -2.57366 0.21454 3.08763 0.00187 0.02942 -0.20518 -1.64818 0 0 0 0 0 0 0.12542 0.75504 -0.13641 0 -0.28969 -0.53526 -1.17445 MET:CtermProteinFull_43 -4.55086 0.41213 2.24082 0.0088 0.23994 -0.05947 0.0217 0 0 0 0 0 0 0 1.50402 0 0 1.65735 -0.22197 1.25246 #END_POSE_ENERGIES_TABLE nods_new_heeh_21.bp_pass_20160819082128_0001.pdb AlaCount 0 bb -0.0977568 buried_minus_exposed 3708.07 buried_np 5352.03 buried_over_exposed 3.25554 cavity_volume 35.7639 contact_all 260 contact_core_SASA 260 contact_core_SCN 130 degree 9.18605 dslf_quality_check 0 entropy 0 exposed_hydrophobics 1643.97 exposed_polars 1602.78 exposed_total 3246.75 fxn_exposed_is_np 0.506343 helix_sc 0.736093 holes 1.27096 loop_sc 0.691812 mean_dslf 0 mismatch_probability 0.234447 one_core_each 1 pack 0.626903 percent_core_SASA 0.116252 percent_core_SCN 0.139502 res_count_core_SASA 5 res_count_core_SCN 6 ss_contributes_core 1 ss_sc 0.723839 two_core_each 0.5 unsat_hbond 4 unsat_hbond2 1
HEEH_rd4_0349.pdb
ATOM 1 N ASP A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA ASP A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C ASP A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O ASP A 1 1.581 2.262 -0.789 1.00 0.00 O ATOM 5 CB ASP A 1 1.995 -0.762 -1.214 1.00 0.00 C ATOM 6 CG ASP A 1 3.450 -1.179 -1.056 1.00 0.00 C ATOM 7 OD1 ASP A 1 3.730 -2.348 -1.180 1.00 0.00 O ATOM 8 OD2 ASP A 1 4.269 -0.325 -0.812 1.00 0.00 O ATOM 9 1H ASP A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 10 2H ASP A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 11 3H ASP A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 12 HA ASP A 1 1.804 -0.509 0.900 1.00 0.00 H ATOM 13 1HB ASP A 1 1.391 -1.655 -1.379 1.00 0.00 H ATOM 14 2HB ASP A 1 1.905 -0.138 -2.104 1.00 0.00 H ATOM 15 N TRP A 2 2.960 1.680 0.890 1.00 0.00 N ATOM 16 CA TRP A 2 3.494 3.025 1.070 1.00 0.00 C ATOM 17 C TRP A 2 4.301 3.464 -0.145 1.00 0.00 C ATOM 18 O TRP A 2 4.460 4.658 -0.398 1.00 0.00 O ATOM 19 CB TRP A 2 4.374 3.087 2.320 1.00 0.00 C ATOM 20 CG TRP A 2 3.595 3.076 3.601 1.00 0.00 C ATOM 21 CD1 TRP A 2 3.577 2.084 4.535 1.00 0.00 C ATOM 22 CD2 TRP A 2 2.714 4.112 4.098 1.00 0.00 C ATOM 23 NE1 TRP A 2 2.747 2.428 5.574 1.00 0.00 N ATOM 24 CE2 TRP A 2 2.212 3.666 5.323 1.00 0.00 C ATOM 25 CE3 TRP A 2 2.317 5.362 3.608 1.00 0.00 C ATOM 26 CZ2 TRP A 2 1.328 4.425 6.073 1.00 0.00 C ATOM 27 CZ3 TRP A 2 1.431 6.124 4.361 1.00 0.00 C ATOM 28 CH2 TRP A 2 0.950 5.667 5.562 1.00 0.00 C ATOM 29 H TRP A 2 3.323 0.927 1.457 1.00 0.00 H ATOM 30 HA TRP A 2 2.660 3.714 1.203 1.00 0.00 H ATOM 31 1HB TRP A 2 5.057 2.237 2.327 1.00 0.00 H ATOM 32 2HB TRP A 2 4.979 3.993 2.295 1.00 0.00 H ATOM 33 HD1 TRP A 2 4.138 1.154 4.467 1.00 0.00 H ATOM 34 HE1 TRP A 2 2.560 1.863 6.389 1.00 0.00 H ATOM 35 HE3 TRP A 2 2.697 5.731 2.656 1.00 0.00 H ATOM 36 HZ2 TRP A 2 0.934 4.080 7.030 1.00 0.00 H ATOM 37 HZ3 TRP A 2 1.126 7.096 3.972 1.00 0.00 H ATOM 38 HH2 TRP A 2 0.257 6.291 6.127 1.00 0.00 H ATOM 39 N ARG A 3 4.810 2.492 -0.895 1.00 0.00 N ATOM 40 CA ARG A 3 5.590 2.776 -2.093 1.00 0.00 C ATOM 41 C ARG A 3 4.710 3.335 -3.204 1.00 0.00 C ATOM 42 O ARG A 3 5.134 4.204 -3.966 1.00 0.00 O ATOM 43 CB ARG A 3 6.289 1.519 -2.587 1.00 0.00 C ATOM 44 CG ARG A 3 7.434 1.036 -1.710 1.00 0.00 C ATOM 45 CD ARG A 3 7.943 -0.287 -2.151 1.00 0.00 C ATOM 46 NE ARG A 3 6.973 -1.346 -1.923 1.00 0.00 N ATOM 47 CZ ARG A 3 7.165 -2.642 -2.238 1.00 0.00 C ATOM 48 NH1 ARG A 3 8.295 -3.022 -2.792 1.00 0.00 N ATOM 49 NH2 ARG A 3 6.219 -3.530 -1.990 1.00 0.00 N ATOM 50 H ARG A 3 4.651 1.531 -0.628 1.00 0.00 H ATOM 51 HA ARG A 3 6.350 3.518 -1.843 1.00 0.00 H ATOM 52 1HB ARG A 3 5.567 0.707 -2.663 1.00 0.00 H ATOM 53 2HB ARG A 3 6.691 1.694 -3.586 1.00 0.00 H ATOM 54 1HG ARG A 3 8.254 1.752 -1.756 1.00 0.00 H ATOM 55 2HG ARG A 3 7.089 0.945 -0.679 1.00 0.00 H ATOM 56 1HD ARG A 3 8.167 -0.254 -3.217 1.00 0.00 H ATOM 57 2HD ARG A 3 8.849 -0.531 -1.597 1.00 0.00 H ATOM 58 HE ARG A 3 6.091 -1.091 -1.498 1.00 0.00 H ATOM 59 1HH1 ARG A 3 9.019 -2.343 -2.981 1.00 0.00 H ATOM 60 2HH1 ARG A 3 8.439 -3.993 -3.028 1.00 0.00 H ATOM 61 1HH2 ARG A 3 5.350 -3.237 -1.564 1.00 0.00 H ATOM 62 2HH2 ARG A 3 6.363 -4.500 -2.225 1.00 0.00 H ATOM 63 N GLU A 4 3.484 2.831 -3.290 1.00 0.00 N ATOM 64 CA GLU A 4 2.502 3.363 -4.227 1.00 0.00 C ATOM 65 C GLU A 4 1.988 4.723 -3.774 1.00 0.00 C ATOM 66 O GLU A 4 1.747 5.611 -4.592 1.00 0.00 O ATOM 67 CB GLU A 4 1.330 2.390 -4.381 1.00 0.00 C ATOM 68 CG GLU A 4 1.687 1.079 -5.066 1.00 0.00 C ATOM 69 CD GLU A 4 2.163 1.269 -6.479 1.00 0.00 C ATOM 70 OE1 GLU A 4 1.488 1.931 -7.230 1.00 0.00 O ATOM 71 OE2 GLU A 4 3.204 0.750 -6.809 1.00 0.00 O ATOM 72 H GLU A 4 3.226 2.059 -2.692 1.00 0.00 H ATOM 73 HA GLU A 4 2.978 3.476 -5.202 1.00 0.00 H ATOM 74 1HB GLU A 4 0.922 2.153 -3.398 1.00 0.00 H ATOM 75 2HB GLU A 4 0.537 2.864 -4.958 1.00 0.00 H ATOM 76 1HG GLU A 4 2.471 0.583 -4.494 1.00 0.00 H ATOM 77 2HG GLU A 4 0.811 0.431 -5.067 1.00 0.00 H ATOM 78 N ILE A 5 1.824 4.882 -2.465 1.00 0.00 N ATOM 79 CA ILE A 5 1.394 6.153 -1.895 1.00 0.00 C ATOM 80 C ILE A 5 2.430 7.243 -2.136 1.00 0.00 C ATOM 81 O ILE A 5 2.091 8.361 -2.525 1.00 0.00 O ATOM 82 CB ILE A 5 1.132 6.017 -0.384 1.00 0.00 C ATOM 83 CG1 ILE A 5 -0.096 5.139 -0.131 1.00 0.00 C ATOM 84 CG2 ILE A 5 0.950 7.388 0.249 1.00 0.00 C ATOM 85 CD1 ILE A 5 -0.280 4.749 1.318 1.00 0.00 C ATOM 86 H ILE A 5 2.001 4.101 -1.849 1.00 0.00 H ATOM 87 HA ILE A 5 0.459 6.448 -2.373 1.00 0.00 H ATOM 88 HB ILE A 5 1.978 5.519 0.088 1.00 0.00 H ATOM 89 1HG1 ILE A 5 -0.992 5.664 -0.460 1.00 0.00 H ATOM 90 2HG1 ILE A 5 -0.018 4.226 -0.722 1.00 0.00 H ATOM 91 1HG2 ILE A 5 0.765 7.274 1.317 1.00 0.00 H ATOM 92 2HG2 ILE A 5 1.851 7.981 0.099 1.00 0.00 H ATOM 93 3HG2 ILE A 5 0.101 7.893 -0.213 1.00 0.00 H ATOM 94 1HD1 ILE A 5 -1.170 4.127 1.417 1.00 0.00 H ATOM 95 2HD1 ILE A 5 0.592 4.191 1.658 1.00 0.00 H ATOM 96 3HD1 ILE A 5 -0.396 5.647 1.924 1.00 0.00 H ATOM 97 N ALA A 6 3.695 6.911 -1.903 1.00 0.00 N ATOM 98 CA ALA A 6 4.784 7.862 -2.095 1.00 0.00 C ATOM 99 C ALA A 6 4.830 8.365 -3.532 1.00 0.00 C ATOM 100 O ALA A 6 5.026 9.555 -3.777 1.00 0.00 O ATOM 101 CB ALA A 6 6.114 7.227 -1.714 1.00 0.00 C ATOM 102 H ALA A 6 3.908 5.977 -1.584 1.00 0.00 H ATOM 103 HA ALA A 6 4.623 8.712 -1.431 1.00 0.00 H ATOM 104 1HB ALA A 6 6.917 7.949 -1.863 1.00 0.00 H ATOM 105 2HB ALA A 6 6.087 6.925 -0.667 1.00 0.00 H ATOM 106 3HB ALA A 6 6.292 6.354 -2.339 1.00 0.00 H ATOM 107 N LYS A 7 4.646 7.452 -4.479 1.00 0.00 N ATOM 108 CA LYS A 7 4.653 7.803 -5.894 1.00 0.00 C ATOM 109 C LYS A 7 3.469 8.694 -6.246 1.00 0.00 C ATOM 110 O LYS A 7 3.616 9.684 -6.963 1.00 0.00 O ATOM 111 CB LYS A 7 4.638 6.542 -6.759 1.00 0.00 C ATOM 112 CG LYS A 7 5.960 5.786 -6.792 1.00 0.00 C ATOM 113 CD LYS A 7 5.922 4.651 -7.804 1.00 0.00 C ATOM 114 CE LYS A 7 5.010 3.525 -7.340 1.00 0.00 C ATOM 115 NZ LYS A 7 5.055 2.357 -8.261 1.00 0.00 N ATOM 116 H LYS A 7 4.499 6.489 -4.212 1.00 0.00 H ATOM 117 HA LYS A 7 5.575 8.345 -6.111 1.00 0.00 H ATOM 118 1HB LYS A 7 3.871 5.859 -6.394 1.00 0.00 H ATOM 119 2HB LYS A 7 4.380 6.808 -7.785 1.00 0.00 H ATOM 120 1HG LYS A 7 6.765 6.472 -7.058 1.00 0.00 H ATOM 121 2HG LYS A 7 6.168 5.375 -5.805 1.00 0.00 H ATOM 122 1HD LYS A 7 5.561 5.028 -8.762 1.00 0.00 H ATOM 123 2HD LYS A 7 6.928 4.256 -7.945 1.00 0.00 H ATOM 124 1HE LYS A 7 5.311 3.199 -6.345 1.00 0.00 H ATOM 125 2HE LYS A 7 3.984 3.887 -7.284 1.00 0.00 H ATOM 126 1HZ LYS A 7 4.438 1.634 -7.919 1.00 0.00 H ATOM 127 2HZ LYS A 7 4.759 2.643 -9.184 1.00 0.00 H ATOM 128 3HZ LYS A 7 5.999 1.999 -8.306 1.00 0.00 H ATOM 129 N LEU A 8 2.295 8.337 -5.737 1.00 0.00 N ATOM 130 CA LEU A 8 1.085 9.114 -5.981 1.00 0.00 C ATOM 131 C LEU A 8 1.175 10.491 -5.335 1.00 0.00 C ATOM 132 O LEU A 8 0.769 11.492 -5.925 1.00 0.00 O ATOM 133 CB LEU A 8 -0.142 8.368 -5.443 1.00 0.00 C ATOM 134 CG LEU A 8 -0.542 7.103 -6.213 1.00 0.00 C ATOM 135 CD1 LEU A 8 -1.609 6.349 -5.431 1.00 0.00 C ATOM 136 CD2 LEU A 8 -1.048 7.489 -7.595 1.00 0.00 C ATOM 137 H LEU A 8 2.238 7.506 -5.166 1.00 0.00 H ATOM 138 HA LEU A 8 0.967 9.241 -7.058 1.00 0.00 H ATOM 139 1HB LEU A 8 0.052 8.081 -4.411 1.00 0.00 H ATOM 140 2HB LEU A 8 -0.994 9.047 -5.455 1.00 0.00 H ATOM 141 HG LEU A 8 0.324 6.449 -6.312 1.00 0.00 H ATOM 142 1HD1 LEU A 8 -1.893 5.450 -5.977 1.00 0.00 H ATOM 143 2HD1 LEU A 8 -1.214 6.069 -4.454 1.00 0.00 H ATOM 144 3HD1 LEU A 8 -2.483 6.986 -5.300 1.00 0.00 H ATOM 145 1HD2 LEU A 8 -1.332 6.589 -8.142 1.00 0.00 H ATOM 146 2HD2 LEU A 8 -1.915 8.142 -7.496 1.00 0.00 H ATOM 147 3HD2 LEU A 8 -0.260 8.010 -8.138 1.00 0.00 H ATOM 148 N ALA A 9 1.709 10.534 -4.119 1.00 0.00 N ATOM 149 CA ALA A 9 1.812 11.782 -3.372 1.00 0.00 C ATOM 150 C ALA A 9 2.791 12.742 -4.035 1.00 0.00 C ATOM 151 O ALA A 9 2.522 13.938 -4.147 1.00 0.00 O ATOM 152 CB ALA A 9 2.233 11.506 -1.936 1.00 0.00 C ATOM 153 H ALA A 9 2.052 9.681 -3.702 1.00 0.00 H ATOM 154 HA ALA A 9 0.828 12.250 -3.343 1.00 0.00 H ATOM 155 1HB ALA A 9 2.306 12.447 -1.391 1.00 0.00 H ATOM 156 2HB ALA A 9 1.493 10.865 -1.456 1.00 0.00 H ATOM 157 3HB ALA A 9 3.202 11.008 -1.930 1.00 0.00 H ATOM 158 N GLU A 10 3.927 12.211 -4.474 1.00 0.00 N ATOM 159 CA GLU A 10 4.957 13.024 -5.109 1.00 0.00 C ATOM 160 C GLU A 10 4.464 13.607 -6.427 1.00 0.00 C ATOM 161 O GLU A 10 4.578 14.810 -6.666 1.00 0.00 O ATOM 162 CB GLU A 10 6.220 12.193 -5.349 1.00 0.00 C ATOM 163 CG GLU A 10 7.360 12.957 -6.008 1.00 0.00 C ATOM 164 CD GLU A 10 8.593 12.119 -6.197 1.00 0.00 C ATOM 165 OE1 GLU A 10 8.582 10.980 -5.796 1.00 0.00 O ATOM 166 OE2 GLU A 10 9.549 12.619 -6.743 1.00 0.00 O ATOM 167 H GLU A 10 4.081 11.219 -4.364 1.00 0.00 H ATOM 168 HA GLU A 10 5.214 13.844 -4.438 1.00 0.00 H ATOM 169 1HB GLU A 10 6.584 11.802 -4.399 1.00 0.00 H ATOM 170 2HB GLU A 10 5.979 11.340 -5.983 1.00 0.00 H ATOM 171 1HG GLU A 10 7.027 13.318 -6.981 1.00 0.00 H ATOM 172 2HG GLU A 10 7.605 13.823 -5.395 1.00 0.00 H ATOM 173 N GLU A 11 3.915 12.749 -7.280 1.00 0.00 N ATOM 174 CA GLU A 11 3.390 13.180 -8.570 1.00 0.00 C ATOM 175 C GLU A 11 2.271 14.199 -8.397 1.00 0.00 C ATOM 176 O GLU A 11 2.273 15.251 -9.036 1.00 0.00 O ATOM 177 CB GLU A 11 2.880 11.978 -9.367 1.00 0.00 C ATOM 178 CG GLU A 11 2.292 12.328 -10.727 1.00 0.00 C ATOM 179 CD GLU A 11 1.815 11.122 -11.486 1.00 0.00 C ATOM 180 OE1 GLU A 11 1.935 10.035 -10.974 1.00 0.00 O ATOM 181 OE2 GLU A 11 1.329 11.287 -12.581 1.00 0.00 O ATOM 182 H GLU A 11 3.860 11.772 -7.028 1.00 0.00 H ATOM 183 HA GLU A 11 4.200 13.643 -9.136 1.00 0.00 H ATOM 184 1HB GLU A 11 3.697 11.274 -9.527 1.00 0.00 H ATOM 185 2HB GLU A 11 2.110 11.461 -8.793 1.00 0.00 H ATOM 186 1HG GLU A 11 1.453 13.009 -10.584 1.00 0.00 H ATOM 187 2HG GLU A 11 3.049 12.846 -11.315 1.00 0.00 H ATOM 188 N ALA A 12 1.317 13.880 -7.529 1.00 0.00 N ATOM 189 CA ALA A 12 0.177 14.756 -7.289 1.00 0.00 C ATOM 190 C ALA A 12 0.622 16.094 -6.711 1.00 0.00 C ATOM 191 O ALA A 12 0.076 17.142 -7.055 1.00 0.00 O ATOM 192 CB ALA A 12 -0.821 14.084 -6.357 1.00 0.00 C ATOM 193 H ALA A 12 1.383 13.008 -7.024 1.00 0.00 H ATOM 194 HA ALA A 12 -0.328 14.936 -8.238 1.00 0.00 H ATOM 195 1HB ALA A 12 -1.666 14.751 -6.186 1.00 0.00 H ATOM 196 2HB ALA A 12 -1.175 13.158 -6.809 1.00 0.00 H ATOM 197 3HB ALA A 12 -0.338 13.862 -5.406 1.00 0.00 H ATOM 198 N LEU A 13 1.618 16.051 -5.832 1.00 0.00 N ATOM 199 CA LEU A 13 2.142 17.260 -5.209 1.00 0.00 C ATOM 200 C LEU A 13 2.718 18.211 -6.250 1.00 0.00 C ATOM 201 O LEU A 13 2.468 19.416 -6.210 1.00 0.00 O ATOM 202 CB LEU A 13 3.223 16.901 -4.181 1.00 0.00 C ATOM 203 CG LEU A 13 3.801 18.078 -3.385 1.00 0.00 C ATOM 204 CD1 LEU A 13 2.692 18.737 -2.576 1.00 0.00 C ATOM 205 CD2 LEU A 13 4.916 17.578 -2.479 1.00 0.00 C ATOM 206 H LEU A 13 2.022 15.158 -5.590 1.00 0.00 H ATOM 207 HA LEU A 13 1.326 17.763 -4.689 1.00 0.00 H ATOM 208 1HB LEU A 13 2.803 16.193 -3.469 1.00 0.00 H ATOM 209 2HB LEU A 13 4.048 16.415 -4.701 1.00 0.00 H ATOM 210 HG LEU A 13 4.199 18.823 -4.074 1.00 0.00 H ATOM 211 1HD1 LEU A 13 3.103 19.573 -2.010 1.00 0.00 H ATOM 212 2HD1 LEU A 13 1.917 19.102 -3.250 1.00 0.00 H ATOM 213 3HD1 LEU A 13 2.262 18.010 -1.888 1.00 0.00 H ATOM 214 1HD2 LEU A 13 5.327 18.415 -1.913 1.00 0.00 H ATOM 215 2HD2 LEU A 13 4.519 16.834 -1.788 1.00 0.00 H ATOM 216 3HD2 LEU A 13 5.703 17.128 -3.084 1.00 0.00 H ATOM 217 N LYS A 14 3.491 17.663 -7.181 1.00 0.00 N ATOM 218 CA LYS A 14 4.089 18.459 -8.246 1.00 0.00 C ATOM 219 C LYS A 14 3.030 18.964 -9.217 1.00 0.00 C ATOM 220 O LYS A 14 3.124 20.080 -9.728 1.00 0.00 O ATOM 221 CB LYS A 14 5.145 17.644 -8.996 1.00 0.00 C ATOM 222 CG LYS A 14 6.396 17.338 -8.184 1.00 0.00 C ATOM 223 CD LYS A 14 7.348 16.436 -8.956 1.00 0.00 C ATOM 224 CE LYS A 14 8.571 16.079 -8.123 1.00 0.00 C ATOM 225 NZ LYS A 14 9.464 15.121 -8.830 1.00 0.00 N ATOM 226 H LYS A 14 3.670 16.669 -7.150 1.00 0.00 H ATOM 227 HA LYS A 14 4.590 19.318 -7.797 1.00 0.00 H ATOM 228 1HB LYS A 14 4.713 16.695 -9.315 1.00 0.00 H ATOM 229 2HB LYS A 14 5.451 18.183 -9.893 1.00 0.00 H ATOM 230 1HG LYS A 14 6.909 18.269 -7.940 1.00 0.00 H ATOM 231 2HG LYS A 14 6.115 16.844 -7.255 1.00 0.00 H ATOM 232 1HD LYS A 14 6.831 15.519 -9.240 1.00 0.00 H ATOM 233 2HD LYS A 14 7.675 16.944 -9.864 1.00 0.00 H ATOM 234 1HE LYS A 14 9.134 16.983 -7.898 1.00 0.00 H ATOM 235 2HE LYS A 14 8.252 15.631 -7.182 1.00 0.00 H ATOM 236 1HZ LYS A 14 10.261 14.909 -8.245 1.00 0.00 H ATOM 237 2HZ LYS A 14 8.957 14.270 -9.028 1.00 0.00 H ATOM 238 3HZ LYS A 14 9.782 15.532 -9.695 1.00 0.00 H ATOM 239 N LYS A 15 2.022 18.136 -9.469 1.00 0.00 N ATOM 240 CA LYS A 15 0.962 18.482 -10.408 1.00 0.00 C ATOM 241 C LYS A 15 -0.199 19.169 -9.700 1.00 0.00 C ATOM 242 O LYS A 15 -1.188 19.543 -10.330 1.00 0.00 O ATOM 243 CB LYS A 15 0.467 17.233 -11.140 1.00 0.00 C ATOM 244 CG LYS A 15 1.494 16.600 -12.069 1.00 0.00 C ATOM 245 CD LYS A 15 0.930 15.367 -12.759 1.00 0.00 C ATOM 246 CE LYS A 15 1.933 14.769 -13.734 1.00 0.00 C ATOM 247 NZ LYS A 15 1.434 13.506 -14.342 1.00 0.00 N ATOM 248 H LYS A 15 1.989 17.243 -8.996 1.00 0.00 H ATOM 249 HA LYS A 15 1.370 19.164 -11.154 1.00 0.00 H ATOM 250 1HB LYS A 15 0.165 16.480 -10.412 1.00 0.00 H ATOM 251 2HB LYS A 15 -0.411 17.485 -11.735 1.00 0.00 H ATOM 252 1HG LYS A 15 1.796 17.324 -12.827 1.00 0.00 H ATOM 253 2HG LYS A 15 2.375 16.313 -11.495 1.00 0.00 H ATOM 254 1HD LYS A 15 0.672 14.616 -12.010 1.00 0.00 H ATOM 255 2HD LYS A 15 0.025 15.637 -13.303 1.00 0.00 H ATOM 256 1HE LYS A 15 2.137 15.485 -14.530 1.00 0.00 H ATOM 257 2HE LYS A 15 2.868 14.562 -13.214 1.00 0.00 H ATOM 258 1HZ LYS A 15 2.126 13.142 -14.981 1.00 0.00 H ATOM 259 2HZ LYS A 15 1.259 12.828 -13.614 1.00 0.00 H ATOM 260 3HZ LYS A 15 0.577 13.689 -14.844 1.00 0.00 H ATOM 261 N GLN A 16 -0.072 19.332 -8.388 1.00 0.00 N ATOM 262 CA GLN A 16 -1.113 19.969 -7.591 1.00 0.00 C ATOM 263 C GLN A 16 -2.450 19.261 -7.764 1.00 0.00 C ATOM 264 O GLN A 16 -3.480 19.901 -7.975 1.00 0.00 O ATOM 265 CB GLN A 16 -1.251 21.446 -7.971 1.00 0.00 C ATOM 266 CG GLN A 16 -0.011 22.279 -7.691 1.00 0.00 C ATOM 267 CD GLN A 16 0.142 22.611 -6.219 1.00 0.00 C ATOM 268 OE1 GLN A 16 -0.559 23.477 -5.687 1.00 0.00 O ATOM 269 NE2 GLN A 16 1.061 21.924 -5.551 1.00 0.00 N ATOM 270 H GLN A 16 0.768 19.006 -7.931 1.00 0.00 H ATOM 271 HA GLN A 16 -0.834 19.901 -6.539 1.00 0.00 H ATOM 272 1HB GLN A 16 -1.479 21.529 -9.033 1.00 0.00 H ATOM 273 2HB GLN A 16 -2.083 21.887 -7.422 1.00 0.00 H ATOM 274 1HG GLN A 16 0.869 21.720 -8.009 1.00 0.00 H ATOM 275 2HG GLN A 16 -0.081 23.213 -8.247 1.00 0.00 H ATOM 276 1HE2 GLN A 16 1.208 22.100 -4.576 1.00 0.00 H ATOM 277 2HE2 GLN A 16 1.608 21.231 -6.021 1.00 0.00 H ATOM 278 N GLN A 17 -2.428 17.935 -7.674 1.00 0.00 N ATOM 279 CA GLN A 17 -3.646 17.140 -7.777 1.00 0.00 C ATOM 280 C GLN A 17 -4.042 16.561 -6.425 1.00 0.00 C ATOM 281 O GLN A 17 -3.204 16.399 -5.539 1.00 0.00 O ATOM 282 CB GLN A 17 -3.464 16.011 -8.796 1.00 0.00 C ATOM 283 CG GLN A 17 -3.114 16.486 -10.196 1.00 0.00 C ATOM 284 CD GLN A 17 -4.230 17.297 -10.827 1.00 0.00 C ATOM 285 OE1 GLN A 17 -5.358 16.818 -10.975 1.00 0.00 O ATOM 286 NE2 GLN A 17 -3.922 18.533 -11.202 1.00 0.00 N ATOM 287 H GLN A 17 -1.545 17.467 -7.530 1.00 0.00 H ATOM 288 HA GLN A 17 -4.451 17.784 -8.132 1.00 0.00 H ATOM 289 1HB GLN A 17 -2.671 15.342 -8.460 1.00 0.00 H ATOM 290 2HB GLN A 17 -4.381 15.426 -8.858 1.00 0.00 H ATOM 291 1HG GLN A 17 -2.223 17.112 -10.144 1.00 0.00 H ATOM 292 2HG GLN A 17 -2.925 15.617 -10.826 1.00 0.00 H ATOM 293 1HE2 GLN A 17 -4.617 19.116 -11.625 1.00 0.00 H ATOM 294 2HE2 GLN A 17 -2.995 18.882 -11.064 1.00 0.00 H ATOM 295 N PRO A 18 -5.326 16.252 -6.273 1.00 0.00 N ATOM 296 CA PRO A 18 -5.814 15.575 -5.078 1.00 0.00 C ATOM 297 C PRO A 18 -5.344 14.126 -5.035 1.00 0.00 C ATOM 298 O PRO A 18 -5.155 13.494 -6.073 1.00 0.00 O ATOM 299 CB PRO A 18 -7.336 15.670 -5.225 1.00 0.00 C ATOM 300 CG PRO A 18 -7.561 15.683 -6.698 1.00 0.00 C ATOM 301 CD PRO A 18 -6.426 16.509 -7.243 1.00 0.00 C ATOM 302 HA PRO A 18 -5.425 16.095 -4.202 1.00 0.00 H ATOM 303 1HB PRO A 18 -7.816 14.815 -4.727 1.00 0.00 H ATOM 304 2HB PRO A 18 -7.705 16.580 -4.729 1.00 0.00 H ATOM 305 1HG PRO A 18 -7.563 14.655 -7.091 1.00 0.00 H ATOM 306 2HG PRO A 18 -8.547 16.113 -6.929 1.00 0.00 H ATOM 307 1HD PRO A 18 -6.171 16.160 -8.255 1.00 0.00 H ATOM 308 2HD PRO A 18 -6.719 17.569 -7.261 1.00 0.00 H ATOM 309 N VAL A 19 -5.156 13.607 -3.826 1.00 0.00 N ATOM 310 CA VAL A 19 -4.763 12.214 -3.644 1.00 0.00 C ATOM 311 C VAL A 19 -5.747 11.478 -2.744 1.00 0.00 C ATOM 312 O VAL A 19 -6.134 11.980 -1.689 1.00 0.00 O ATOM 313 CB VAL A 19 -3.352 12.133 -3.032 1.00 0.00 C ATOM 314 CG1 VAL A 19 -2.979 10.687 -2.743 1.00 0.00 C ATOM 315 CG2 VAL A 19 -2.342 12.773 -3.973 1.00 0.00 C ATOM 316 H VAL A 19 -5.288 14.191 -3.013 1.00 0.00 H ATOM 317 HA VAL A 19 -4.750 11.728 -4.620 1.00 0.00 H ATOM 318 HB VAL A 19 -3.348 12.663 -2.079 1.00 0.00 H ATOM 319 1HG1 VAL A 19 -1.979 10.648 -2.310 1.00 0.00 H ATOM 320 2HG1 VAL A 19 -3.695 10.260 -2.040 1.00 0.00 H ATOM 321 3HG1 VAL A 19 -2.995 10.115 -3.670 1.00 0.00 H ATOM 322 1HG2 VAL A 19 -1.347 12.712 -3.533 1.00 0.00 H ATOM 323 2HG2 VAL A 19 -2.350 12.246 -4.927 1.00 0.00 H ATOM 324 3HG2 VAL A 19 -2.605 13.818 -4.133 1.00 0.00 H ATOM 325 N THR A 20 -6.148 10.284 -3.167 1.00 0.00 N ATOM 326 CA THR A 20 -6.969 9.412 -2.335 1.00 0.00 C ATOM 327 C THR A 20 -6.288 8.070 -2.104 1.00 0.00 C ATOM 328 O THR A 20 -6.177 7.254 -3.019 1.00 0.00 O ATOM 329 CB THR A 20 -8.355 9.188 -2.967 1.00 0.00 C ATOM 330 OG1 THR A 20 -9.030 10.445 -3.105 1.00 0.00 O ATOM 331 CG2 THR A 20 -9.192 8.260 -2.100 1.00 0.00 C ATOM 332 H THR A 20 -5.876 9.971 -4.088 1.00 0.00 H ATOM 333 HA THR A 20 -7.121 9.898 -1.370 1.00 0.00 H ATOM 334 HB THR A 20 -8.237 8.744 -3.955 1.00 0.00 H ATOM 335 HG1 THR A 20 -9.659 10.550 -2.387 1.00 0.00 H ATOM 336 1HG2 THR A 20 -10.168 8.112 -2.563 1.00 0.00 H ATOM 337 2HG2 THR A 20 -8.688 7.299 -2.003 1.00 0.00 H ATOM 338 3HG2 THR A 20 -9.322 8.703 -1.114 1.00 0.00 H ATOM 339 N VAL A 21 -5.834 7.846 -0.875 1.00 0.00 N ATOM 340 CA VAL A 21 -5.222 6.575 -0.505 1.00 0.00 C ATOM 341 C VAL A 21 -5.762 6.072 0.828 1.00 0.00 C ATOM 342 O VAL A 21 -6.047 6.859 1.730 1.00 0.00 O ATOM 343 CB VAL A 21 -3.692 6.727 -0.411 1.00 0.00 C ATOM 344 CG1 VAL A 21 -3.111 7.111 -1.764 1.00 0.00 C ATOM 345 CG2 VAL A 21 -3.338 7.766 0.643 1.00 0.00 C ATOM 346 H VAL A 21 -5.915 8.574 -0.180 1.00 0.00 H ATOM 347 HA VAL A 21 -5.454 5.841 -1.276 1.00 0.00 H ATOM 348 HB VAL A 21 -3.257 5.766 -0.136 1.00 0.00 H ATOM 349 1HG1 VAL A 21 -2.029 7.214 -1.679 1.00 0.00 H ATOM 350 2HG1 VAL A 21 -3.345 6.336 -2.493 1.00 0.00 H ATOM 351 3HG1 VAL A 21 -3.540 8.059 -2.088 1.00 0.00 H ATOM 352 1HG2 VAL A 21 -2.255 7.867 0.704 1.00 0.00 H ATOM 353 2HG2 VAL A 21 -3.778 8.725 0.370 1.00 0.00 H ATOM 354 3HG2 VAL A 21 -3.728 7.450 1.610 1.00 0.00 H ATOM 355 N ASN A 22 -5.900 4.755 0.945 1.00 0.00 N ATOM 356 CA ASN A 22 -6.418 4.145 2.163 1.00 0.00 C ATOM 357 C ASN A 22 -7.812 4.666 2.490 1.00 0.00 C ATOM 358 O ASN A 22 -8.255 4.603 3.637 1.00 0.00 O ATOM 359 CB ASN A 22 -5.472 4.384 3.325 1.00 0.00 C ATOM 360 CG ASN A 22 -4.097 3.828 3.075 1.00 0.00 C ATOM 361 OD1 ASN A 22 -3.945 2.777 2.441 1.00 0.00 O ATOM 362 ND2 ASN A 22 -3.093 4.513 3.560 1.00 0.00 N ATOM 363 H ASN A 22 -5.638 4.162 0.170 1.00 0.00 H ATOM 364 HA ASN A 22 -6.485 3.067 2.009 1.00 0.00 H ATOM 365 1HB ASN A 22 -5.389 5.455 3.513 1.00 0.00 H ATOM 366 2HB ASN A 22 -5.878 3.924 4.226 1.00 0.00 H ATOM 367 1HD2 ASN A 22 -2.156 4.191 3.424 1.00 0.00 H ATOM 368 2HD2 ASN A 22 -3.263 5.358 4.066 1.00 0.00 H ATOM 369 N GLY A 23 -8.498 5.182 1.476 1.00 0.00 N ATOM 370 CA GLY A 23 -9.861 5.673 1.645 1.00 0.00 C ATOM 371 C GLY A 23 -9.871 7.151 2.013 1.00 0.00 C ATOM 372 O GLY A 23 -10.920 7.796 2.002 1.00 0.00 O ATOM 373 H GLY A 23 -8.065 5.235 0.566 1.00 0.00 H ATOM 374 1HA GLY A 23 -10.419 5.520 0.721 1.00 0.00 H ATOM 375 2HA GLY A 23 -10.361 5.097 2.422 1.00 0.00 H ATOM 376 N GLN A 24 -8.698 7.683 2.340 1.00 0.00 N ATOM 377 CA GLN A 24 -8.580 9.069 2.775 1.00 0.00 C ATOM 378 C GLN A 24 -8.230 9.985 1.609 1.00 0.00 C ATOM 379 O GLN A 24 -7.241 9.764 0.909 1.00 0.00 O ATOM 380 CB GLN A 24 -7.524 9.198 3.876 1.00 0.00 C ATOM 381 CG GLN A 24 -7.288 10.622 4.349 1.00 0.00 C ATOM 382 CD GLN A 24 -8.472 11.180 5.115 1.00 0.00 C ATOM 383 OE1 GLN A 24 -8.901 10.614 6.124 1.00 0.00 O ATOM 384 NE2 GLN A 24 -9.010 12.298 4.639 1.00 0.00 N ATOM 385 H GLN A 24 -7.867 7.112 2.285 1.00 0.00 H ATOM 386 HA GLN A 24 -9.538 9.384 3.191 1.00 0.00 H ATOM 387 1HB GLN A 24 -7.822 8.601 4.738 1.00 0.00 H ATOM 388 2HB GLN A 24 -6.574 8.801 3.516 1.00 0.00 H ATOM 389 1HG GLN A 24 -6.419 10.636 5.007 1.00 0.00 H ATOM 390 2HG GLN A 24 -7.111 11.257 3.482 1.00 0.00 H ATOM 391 1HE2 GLN A 24 -9.794 12.714 5.102 1.00 0.00 H ATOM 392 2HE2 GLN A 24 -8.631 12.725 3.817 1.00 0.00 H ATOM 393 N THR A 25 -9.046 11.013 1.405 1.00 0.00 N ATOM 394 CA THR A 25 -8.790 11.999 0.362 1.00 0.00 C ATOM 395 C THR A 25 -7.996 13.181 0.904 1.00 0.00 C ATOM 396 O THR A 25 -8.283 13.690 1.987 1.00 0.00 O ATOM 397 CB THR A 25 -10.105 12.502 -0.261 1.00 0.00 C ATOM 398 OG1 THR A 25 -10.771 11.416 -0.919 1.00 0.00 O ATOM 399 CG2 THR A 25 -9.830 13.608 -1.268 1.00 0.00 C ATOM 400 H THR A 25 -9.865 11.115 1.987 1.00 0.00 H ATOM 401 HA THR A 25 -8.211 11.523 -0.430 1.00 0.00 H ATOM 402 HB THR A 25 -10.756 12.887 0.524 1.00 0.00 H ATOM 403 HG1 THR A 25 -10.347 11.247 -1.764 1.00 0.00 H ATOM 404 1HG2 THR A 25 -10.771 13.952 -1.698 1.00 0.00 H ATOM 405 2HG2 THR A 25 -9.334 14.440 -0.768 1.00 0.00 H ATOM 406 3HG2 THR A 25 -9.188 13.227 -2.061 1.00 0.00 H ATOM 407 N PHE A 26 -6.995 13.614 0.144 1.00 0.00 N ATOM 408 CA PHE A 26 -6.192 14.771 0.520 1.00 0.00 C ATOM 409 C PHE A 26 -6.351 15.903 -0.486 1.00 0.00 C ATOM 410 O PHE A 26 -5.811 15.845 -1.591 1.00 0.00 O ATOM 411 CB PHE A 26 -4.716 14.384 0.631 1.00 0.00 C ATOM 412 CG PHE A 26 -4.441 13.334 1.669 1.00 0.00 C ATOM 413 CD1 PHE A 26 -4.626 11.989 1.383 1.00 0.00 C ATOM 414 CD2 PHE A 26 -3.998 13.688 2.935 1.00 0.00 C ATOM 415 CE1 PHE A 26 -4.374 11.022 2.338 1.00 0.00 C ATOM 416 CE2 PHE A 26 -3.744 12.723 3.891 1.00 0.00 C ATOM 417 CZ PHE A 26 -3.932 11.389 3.591 1.00 0.00 C ATOM 418 H PHE A 26 -6.786 13.129 -0.717 1.00 0.00 H ATOM 419 HA PHE A 26 -6.527 15.122 1.497 1.00 0.00 H ATOM 420 1HB PHE A 26 -4.365 14.011 -0.330 1.00 0.00 H ATOM 421 2HB PHE A 26 -4.126 15.266 0.875 1.00 0.00 H ATOM 422 HD1 PHE A 26 -4.974 11.699 0.391 1.00 0.00 H ATOM 423 HD2 PHE A 26 -3.850 14.742 3.171 1.00 0.00 H ATOM 424 HE1 PHE A 26 -4.523 9.970 2.099 1.00 0.00 H ATOM 425 HE2 PHE A 26 -3.396 13.015 4.881 1.00 0.00 H ATOM 426 HZ PHE A 26 -3.734 10.628 4.344 1.00 0.00 H ATOM 427 N ASN A 27 -7.096 16.933 -0.098 1.00 0.00 N ATOM 428 CA ASN A 27 -7.420 18.028 -1.004 1.00 0.00 C ATOM 429 C ASN A 27 -6.541 19.243 -0.736 1.00 0.00 C ATOM 430 O ASN A 27 -6.941 20.379 -0.991 1.00 0.00 O ATOM 431 CB ASN A 27 -8.888 18.397 -0.892 1.00 0.00 C ATOM 432 CG ASN A 27 -9.795 17.331 -1.442 1.00 0.00 C ATOM 433 OD1 ASN A 27 -9.478 16.688 -2.449 1.00 0.00 O ATOM 434 ND2 ASN A 27 -10.918 17.131 -0.800 1.00 0.00 N ATOM 435 H ASN A 27 -7.447 16.957 0.849 1.00 0.00 H ATOM 436 HA ASN A 27 -7.251 17.692 -2.028 1.00 0.00 H ATOM 437 1HB ASN A 27 -9.142 18.569 0.155 1.00 0.00 H ATOM 438 2HB ASN A 27 -9.072 19.327 -1.430 1.00 0.00 H ATOM 439 1HD2 ASN A 27 -11.560 16.435 -1.121 1.00 0.00 H ATOM 440 2HD2 ASN A 27 -11.134 17.675 0.011 1.00 0.00 H ATOM 441 N ASP A 28 -5.341 18.996 -0.221 1.00 0.00 N ATOM 442 CA ASP A 28 -4.422 20.073 0.130 1.00 0.00 C ATOM 443 C ASP A 28 -2.976 19.665 -0.120 1.00 0.00 C ATOM 444 O ASP A 28 -2.454 18.762 0.533 1.00 0.00 O ATOM 445 CB ASP A 28 -4.600 20.473 1.596 1.00 0.00 C ATOM 446 CG ASP A 28 -3.781 21.698 1.979 1.00 0.00 C ATOM 447 OD1 ASP A 28 -2.957 22.107 1.196 1.00 0.00 O ATOM 448 OD2 ASP A 28 -3.987 22.214 3.052 1.00 0.00 O ATOM 449 H ASP A 28 -5.059 18.039 -0.068 1.00 0.00 H ATOM 450 HA ASP A 28 -4.653 20.940 -0.489 1.00 0.00 H ATOM 451 1HB ASP A 28 -5.652 20.681 1.792 1.00 0.00 H ATOM 452 2HB ASP A 28 -4.306 19.642 2.239 1.00 0.00 H ATOM 453 N PRO A 29 -2.333 20.337 -1.069 1.00 0.00 N ATOM 454 CA PRO A 29 -0.948 20.038 -1.415 1.00 0.00 C ATOM 455 C PRO A 29 -0.069 19.987 -0.173 1.00 0.00 C ATOM 456 O PRO A 29 0.952 19.298 -0.151 1.00 0.00 O ATOM 457 CB PRO A 29 -0.563 21.204 -2.332 1.00 0.00 C ATOM 458 CG PRO A 29 -1.835 21.562 -3.022 1.00 0.00 C ATOM 459 CD PRO A 29 -2.893 21.404 -1.962 1.00 0.00 C ATOM 460 HA PRO A 29 -0.917 19.065 -1.907 1.00 0.00 H ATOM 461 1HB PRO A 29 -0.153 22.032 -1.735 1.00 0.00 H ATOM 462 2HB PRO A 29 0.226 20.888 -3.030 1.00 0.00 H ATOM 463 1HG PRO A 29 -1.778 22.589 -3.413 1.00 0.00 H ATOM 464 2HG PRO A 29 -1.998 20.901 -3.885 1.00 0.00 H ATOM 465 1HD PRO A 29 -3.016 22.353 -1.421 1.00 0.00 H ATOM 466 2HD PRO A 29 -3.840 21.098 -2.432 1.00 0.00 H ATOM 467 N ASN A 30 -0.470 20.718 0.861 1.00 0.00 N ATOM 468 CA ASN A 30 0.290 20.770 2.105 1.00 0.00 C ATOM 469 C ASN A 30 0.167 19.464 2.879 1.00 0.00 C ATOM 470 O ASN A 30 1.111 19.033 3.541 1.00 0.00 O ATOM 471 CB ASN A 30 -0.161 21.941 2.958 1.00 0.00 C ATOM 472 CG ASN A 30 0.225 23.269 2.367 1.00 0.00 C ATOM 473 OD1 ASN A 30 1.367 23.720 2.515 1.00 0.00 O ATOM 474 ND2 ASN A 30 -0.704 23.904 1.699 1.00 0.00 N ATOM 475 H ASN A 30 -1.324 21.253 0.784 1.00 0.00 H ATOM 476 HA ASN A 30 1.340 20.935 1.862 1.00 0.00 H ATOM 477 1HB ASN A 30 -1.245 21.911 3.075 1.00 0.00 H ATOM 478 2HB ASN A 30 0.279 21.858 3.952 1.00 0.00 H ATOM 479 1HD2 ASN A 30 -0.504 24.791 1.284 1.00 0.00 H ATOM 480 2HD2 ASN A 30 -1.615 23.501 1.605 1.00 0.00 H ATOM 481 N GLU A 31 -1.002 18.838 2.793 1.00 0.00 N ATOM 482 CA GLU A 31 -1.235 17.557 3.449 1.00 0.00 C ATOM 483 C GLU A 31 -0.737 16.401 2.590 1.00 0.00 C ATOM 484 O GLU A 31 -0.364 15.348 3.107 1.00 0.00 O ATOM 485 CB GLU A 31 -2.724 17.376 3.752 1.00 0.00 C ATOM 486 CG GLU A 31 -3.297 18.399 4.722 1.00 0.00 C ATOM 487 CD GLU A 31 -2.711 18.288 6.102 1.00 0.00 C ATOM 488 OE1 GLU A 31 -2.695 17.205 6.636 1.00 0.00 O ATOM 489 OE2 GLU A 31 -2.277 19.289 6.623 1.00 0.00 O ATOM 490 H GLU A 31 -1.748 19.261 2.261 1.00 0.00 H ATOM 491 HA GLU A 31 -0.693 17.548 4.395 1.00 0.00 H ATOM 492 1HB GLU A 31 -3.294 17.438 2.825 1.00 0.00 H ATOM 493 2HB GLU A 31 -2.892 16.385 4.173 1.00 0.00 H ATOM 494 1HG GLU A 31 -3.103 19.399 4.336 1.00 0.00 H ATOM 495 2HG GLU A 31 -4.376 18.265 4.779 1.00 0.00 H ATOM 496 N ILE A 32 -0.735 16.604 1.277 1.00 0.00 N ATOM 497 CA ILE A 32 -0.154 15.637 0.354 1.00 0.00 C ATOM 498 C ILE A 32 1.353 15.526 0.548 1.00 0.00 C ATOM 499 O ILE A 32 1.915 14.432 0.506 1.00 0.00 O ATOM 500 CB ILE A 32 -0.457 16.021 -1.106 1.00 0.00 C ATOM 501 CG1 ILE A 32 -1.952 15.874 -1.398 1.00 0.00 C ATOM 502 CG2 ILE A 32 0.361 15.166 -2.062 1.00 0.00 C ATOM 503 CD1 ILE A 32 -2.376 16.462 -2.724 1.00 0.00 C ATOM 504 H ILE A 32 -1.147 17.450 0.909 1.00 0.00 H ATOM 505 HA ILE A 32 -0.604 14.662 0.545 1.00 0.00 H ATOM 506 HB ILE A 32 -0.206 17.069 -1.266 1.00 0.00 H ATOM 507 1HG1 ILE A 32 -2.223 14.819 -1.389 1.00 0.00 H ATOM 508 2HG1 ILE A 32 -2.526 16.364 -0.610 1.00 0.00 H ATOM 509 1HG2 ILE A 32 0.135 15.450 -3.089 1.00 0.00 H ATOM 510 2HG2 ILE A 32 1.422 15.319 -1.869 1.00 0.00 H ATOM 511 3HG2 ILE A 32 0.113 14.115 -1.913 1.00 0.00 H ATOM 512 1HD1 ILE A 32 -3.449 16.320 -2.859 1.00 0.00 H ATOM 513 2HD1 ILE A 32 -2.147 17.528 -2.741 1.00 0.00 H ATOM 514 3HD1 ILE A 32 -1.841 15.963 -3.531 1.00 0.00 H ATOM 515 N LYS A 33 2.002 16.665 0.762 1.00 0.00 N ATOM 516 CA LYS A 33 3.409 16.685 1.144 1.00 0.00 C ATOM 517 C LYS A 33 3.648 15.872 2.409 1.00 0.00 C ATOM 518 O LYS A 33 4.585 15.076 2.479 1.00 0.00 O ATOM 519 CB LYS A 33 3.889 18.124 1.345 1.00 0.00 C ATOM 520 CG LYS A 33 5.361 18.250 1.714 1.00 0.00 C ATOM 521 CD LYS A 33 5.775 19.708 1.845 1.00 0.00 C ATOM 522 CE LYS A 33 7.226 19.835 2.285 1.00 0.00 C ATOM 523 NZ LYS A 33 7.643 21.256 2.427 1.00 0.00 N ATOM 524 H LYS A 33 1.508 17.540 0.658 1.00 0.00 H ATOM 525 HA LYS A 33 3.994 16.251 0.333 1.00 0.00 H ATOM 526 1HB LYS A 33 3.724 18.694 0.431 1.00 0.00 H ATOM 527 2HB LYS A 33 3.305 18.595 2.135 1.00 0.00 H ATOM 528 1HG LYS A 33 5.544 17.742 2.662 1.00 0.00 H ATOM 529 2HG LYS A 33 5.971 17.775 0.946 1.00 0.00 H ATOM 530 1HD LYS A 33 5.650 20.210 0.885 1.00 0.00 H ATOM 531 2HD LYS A 33 5.139 20.202 2.579 1.00 0.00 H ATOM 532 1HE LYS A 33 7.361 19.332 3.242 1.00 0.00 H ATOM 533 2HE LYS A 33 7.872 19.352 1.552 1.00 0.00 H ATOM 534 1HZ LYS A 33 8.609 21.297 2.719 1.00 0.00 H ATOM 535 2HZ LYS A 33 7.539 21.728 1.539 1.00 0.00 H ATOM 536 3HZ LYS A 33 7.063 21.710 3.118 1.00 0.00 H ATOM 537 N LYS A 34 2.797 16.076 3.408 1.00 0.00 N ATOM 538 CA LYS A 34 2.862 15.302 4.642 1.00 0.00 C ATOM 539 C LYS A 34 2.651 13.817 4.372 1.00 0.00 C ATOM 540 O LYS A 34 3.311 12.968 4.970 1.00 0.00 O ATOM 541 CB LYS A 34 1.825 15.806 5.646 1.00 0.00 C ATOM 542 CG LYS A 34 2.121 17.186 6.218 1.00 0.00 C ATOM 543 CD LYS A 34 1.011 17.649 7.149 1.00 0.00 C ATOM 544 CE LYS A 34 1.191 19.107 7.544 1.00 0.00 C ATOM 545 NZ LYS A 34 0.043 19.613 8.345 1.00 0.00 N ATOM 546 H LYS A 34 2.085 16.787 3.311 1.00 0.00 H ATOM 547 HA LYS A 34 3.849 15.440 5.085 1.00 0.00 H ATOM 548 1HB LYS A 34 0.845 15.845 5.170 1.00 0.00 H ATOM 549 2HB LYS A 34 1.756 15.106 6.480 1.00 0.00 H ATOM 550 1HG LYS A 34 3.060 17.156 6.772 1.00 0.00 H ATOM 551 2HG LYS A 34 2.223 17.902 5.403 1.00 0.00 H ATOM 552 1HD LYS A 34 0.047 17.532 6.652 1.00 0.00 H ATOM 553 2HD LYS A 34 1.012 17.035 8.050 1.00 0.00 H ATOM 554 1HE LYS A 34 2.102 19.215 8.131 1.00 0.00 H ATOM 555 2HE LYS A 34 1.289 19.718 6.647 1.00 0.00 H ATOM 556 1HZ LYS A 34 0.200 20.581 8.586 1.00 0.00 H ATOM 557 2HZ LYS A 34 -0.806 19.535 7.802 1.00 0.00 H ATOM 558 3HZ LYS A 34 -0.046 19.066 9.189 1.00 0.00 H ATOM 559 N LEU A 35 1.728 13.511 3.467 1.00 0.00 N ATOM 560 CA LEU A 35 1.501 12.136 3.038 1.00 0.00 C ATOM 561 C LEU A 35 2.753 11.543 2.405 1.00 0.00 C ATOM 562 O LEU A 35 3.133 10.410 2.700 1.00 0.00 O ATOM 563 CB LEU A 35 0.338 12.076 2.040 1.00 0.00 C ATOM 564 CG LEU A 35 0.004 10.684 1.491 1.00 0.00 C ATOM 565 CD1 LEU A 35 -0.449 9.782 2.632 1.00 0.00 C ATOM 566 CD2 LEU A 35 -1.077 10.804 0.427 1.00 0.00 C ATOM 567 H LEU A 35 1.168 14.250 3.065 1.00 0.00 H ATOM 568 HA LEU A 35 1.236 11.540 3.913 1.00 0.00 H ATOM 569 1HB LEU A 35 -0.556 12.464 2.525 1.00 0.00 H ATOM 570 2HB LEU A 35 0.574 12.719 1.192 1.00 0.00 H ATOM 571 HG LEU A 35 0.898 10.241 1.051 1.00 0.00 H ATOM 572 1HD1 LEU A 35 -0.687 8.793 2.241 1.00 0.00 H ATOM 573 2HD1 LEU A 35 0.350 9.699 3.368 1.00 0.00 H ATOM 574 3HD1 LEU A 35 -1.334 10.208 3.102 1.00 0.00 H ATOM 575 1HD2 LEU A 35 -1.315 9.814 0.036 1.00 0.00 H ATOM 576 2HD2 LEU A 35 -1.973 11.245 0.866 1.00 0.00 H ATOM 577 3HD2 LEU A 35 -0.721 11.438 -0.384 1.00 0.00 H ATOM 578 N LEU A 36 3.391 12.315 1.532 1.00 0.00 N ATOM 579 CA LEU A 36 4.625 11.884 0.886 1.00 0.00 C ATOM 580 C LEU A 36 5.714 11.598 1.912 1.00 0.00 C ATOM 581 O LEU A 36 6.319 10.526 1.908 1.00 0.00 O ATOM 582 CB LEU A 36 5.110 12.956 -0.098 1.00 0.00 C ATOM 583 CG LEU A 36 6.461 12.679 -0.771 1.00 0.00 C ATOM 584 CD1 LEU A 36 6.379 11.380 -1.561 1.00 0.00 C ATOM 585 CD2 LEU A 36 6.827 13.846 -1.675 1.00 0.00 C ATOM 586 H LEU A 36 3.012 13.225 1.311 1.00 0.00 H ATOM 587 HA LEU A 36 4.422 10.970 0.328 1.00 0.00 H ATOM 588 1HB LEU A 36 4.366 13.068 -0.885 1.00 0.00 H ATOM 589 2HB LEU A 36 5.193 13.904 0.433 1.00 0.00 H ATOM 590 HG LEU A 36 7.229 12.556 -0.007 1.00 0.00 H ATOM 591 1HD1 LEU A 36 7.339 11.183 -2.038 1.00 0.00 H ATOM 592 2HD1 LEU A 36 6.134 10.559 -0.887 1.00 0.00 H ATOM 593 3HD1 LEU A 36 5.605 11.466 -2.323 1.00 0.00 H ATOM 594 1HD2 LEU A 36 7.788 13.650 -2.152 1.00 0.00 H ATOM 595 2HD2 LEU A 36 6.060 13.969 -2.440 1.00 0.00 H ATOM 596 3HD2 LEU A 36 6.897 14.758 -1.081 1.00 0.00 H ATOM 597 N GLU A 37 5.959 12.564 2.792 1.00 0.00 N ATOM 598 CA GLU A 37 6.995 12.429 3.809 1.00 0.00 C ATOM 599 C GLU A 37 6.700 11.262 4.744 1.00 0.00 C ATOM 600 O GLU A 37 7.608 10.540 5.155 1.00 0.00 O ATOM 601 CB GLU A 37 7.121 13.722 4.616 1.00 0.00 C ATOM 602 CG GLU A 37 7.723 14.888 3.845 1.00 0.00 C ATOM 603 CD GLU A 37 7.815 16.146 4.664 1.00 0.00 C ATOM 604 OE1 GLU A 37 7.371 16.135 5.786 1.00 0.00 O ATOM 605 OE2 GLU A 37 8.330 17.119 4.165 1.00 0.00 O ATOM 606 H GLU A 37 5.413 13.413 2.755 1.00 0.00 H ATOM 607 HA GLU A 37 7.947 12.245 3.311 1.00 0.00 H ATOM 608 1HB GLU A 37 6.137 14.028 4.970 1.00 0.00 H ATOM 609 2HB GLU A 37 7.744 13.544 5.493 1.00 0.00 H ATOM 610 1HG GLU A 37 8.723 14.612 3.511 1.00 0.00 H ATOM 611 2HG GLU A 37 7.115 15.079 2.962 1.00 0.00 H ATOM 612 N THR A 38 5.426 11.084 5.075 1.00 0.00 N ATOM 613 CA THR A 38 4.995 9.945 5.877 1.00 0.00 C ATOM 614 C THR A 38 5.322 8.628 5.184 1.00 0.00 C ATOM 615 O THR A 38 5.885 7.718 5.793 1.00 0.00 O ATOM 616 CB THR A 38 3.485 10.013 6.172 1.00 0.00 C ATOM 617 OG1 THR A 38 3.202 11.176 6.960 1.00 0.00 O ATOM 618 CG2 THR A 38 3.032 8.772 6.925 1.00 0.00 C ATOM 619 H THR A 38 4.738 11.754 4.763 1.00 0.00 H ATOM 620 HA THR A 38 5.520 9.976 6.833 1.00 0.00 H ATOM 621 HB THR A 38 2.935 10.084 5.234 1.00 0.00 H ATOM 622 HG1 THR A 38 3.244 11.958 6.404 1.00 0.00 H ATOM 623 1HG2 THR A 38 1.962 8.838 7.124 1.00 0.00 H ATOM 624 2HG2 THR A 38 3.236 7.887 6.322 1.00 0.00 H ATOM 625 3HG2 THR A 38 3.572 8.701 7.868 1.00 0.00 H ATOM 626 N ALA A 39 4.966 8.533 3.908 1.00 0.00 N ATOM 627 CA ALA A 39 5.223 7.327 3.129 1.00 0.00 C ATOM 628 C ALA A 39 6.716 7.045 3.027 1.00 0.00 C ATOM 629 O ALA A 39 7.153 5.903 3.175 1.00 0.00 O ATOM 630 CB ALA A 39 4.613 7.454 1.740 1.00 0.00 C ATOM 631 H ALA A 39 4.505 9.315 3.466 1.00 0.00 H ATOM 632 HA ALA A 39 4.740 6.485 3.625 1.00 0.00 H ATOM 633 1HB ALA A 39 4.813 6.546 1.171 1.00 0.00 H ATOM 634 2HB ALA A 39 3.536 7.598 1.827 1.00 0.00 H ATOM 635 3HB ALA A 39 5.052 8.308 1.227 1.00 0.00 H ATOM 636 N GLN A 40 7.495 8.091 2.774 1.00 0.00 N ATOM 637 CA GLN A 40 8.937 7.951 2.611 1.00 0.00 C ATOM 638 C GLN A 40 9.590 7.446 3.892 1.00 0.00 C ATOM 639 O GLN A 40 10.535 6.659 3.850 1.00 0.00 O ATOM 640 CB GLN A 40 9.562 9.285 2.197 1.00 0.00 C ATOM 641 CG GLN A 40 9.235 9.711 0.776 1.00 0.00 C ATOM 642 CD GLN A 40 9.719 11.115 0.466 1.00 0.00 C ATOM 643 OE1 GLN A 40 9.889 11.941 1.368 1.00 0.00 O ATOM 644 NE2 GLN A 40 9.945 11.394 -0.812 1.00 0.00 N ATOM 645 H GLN A 40 7.078 9.007 2.693 1.00 0.00 H ATOM 646 HA GLN A 40 9.127 7.230 1.815 1.00 0.00 H ATOM 647 1HB GLN A 40 9.221 10.072 2.871 1.00 0.00 H ATOM 648 2HB GLN A 40 10.647 9.223 2.288 1.00 0.00 H ATOM 649 1HG GLN A 40 9.717 9.023 0.081 1.00 0.00 H ATOM 650 2HG GLN A 40 8.154 9.684 0.639 1.00 0.00 H ATOM 651 1HE2 GLN A 40 10.265 12.304 -1.078 1.00 0.00 H ATOM 652 2HE2 GLN A 40 9.795 10.694 -1.511 1.00 0.00 H ATOM 653 N LYS A 41 9.080 7.905 5.030 1.00 0.00 N ATOM 654 CA LYS A 41 9.574 7.457 6.327 1.00 0.00 C ATOM 655 C LYS A 41 9.049 6.068 6.667 1.00 0.00 C ATOM 656 O LYS A 41 9.718 5.292 7.349 1.00 0.00 O ATOM 657 CB LYS A 41 9.182 8.451 7.422 1.00 0.00 C ATOM 658 CG LYS A 41 9.909 9.787 7.349 1.00 0.00 C ATOM 659 CD LYS A 41 9.418 10.742 8.426 1.00 0.00 C ATOM 660 CE LYS A 41 10.116 12.091 8.331 1.00 0.00 C ATOM 661 NZ LYS A 41 9.611 13.052 9.348 1.00 0.00 N ATOM 662 H LYS A 41 8.330 8.581 4.996 1.00 0.00 H ATOM 663 HA LYS A 41 10.664 7.420 6.287 1.00 0.00 H ATOM 664 1HB LYS A 41 8.111 8.649 7.367 1.00 0.00 H ATOM 665 2HB LYS A 41 9.384 8.013 8.400 1.00 0.00 H ATOM 666 1HG LYS A 41 10.980 9.626 7.478 1.00 0.00 H ATOM 667 2HG LYS A 41 9.742 10.239 6.371 1.00 0.00 H ATOM 668 1HD LYS A 41 8.343 10.891 8.319 1.00 0.00 H ATOM 669 2HD LYS A 41 9.612 10.313 9.409 1.00 0.00 H ATOM 670 1HE LYS A 41 11.187 11.957 8.476 1.00 0.00 H ATOM 671 2HE LYS A 41 9.956 12.514 7.339 1.00 0.00 H ATOM 672 1HZ LYS A 41 10.097 13.932 9.252 1.00 0.00 H ATOM 673 2HZ LYS A 41 8.620 13.199 9.211 1.00 0.00 H ATOM 674 3HZ LYS A 41 9.770 12.680 10.273 1.00 0.00 H ATOM 675 N ALA A 42 7.849 5.761 6.187 1.00 0.00 N ATOM 676 CA ALA A 42 7.228 4.468 6.447 1.00 0.00 C ATOM 677 C ALA A 42 7.959 3.349 5.716 1.00 0.00 C ATOM 678 O ALA A 42 8.038 2.223 6.207 1.00 0.00 O ATOM 679 CB ALA A 42 5.761 4.494 6.043 1.00 0.00 C ATOM 680 H ALA A 42 7.354 6.441 5.628 1.00 0.00 H ATOM 681 HA ALA A 42 7.272 4.273 7.519 1.00 0.00 H ATOM 682 1HB ALA A 42 5.311 3.521 6.243 1.00 0.00 H ATOM 683 2HB ALA A 42 5.239 5.260 6.616 1.00 0.00 H ATOM 684 3HB ALA A 42 5.681 4.719 4.980 1.00 0.00 H ATOM 685 N ILE A 43 8.491 3.666 4.541 1.00 0.00 N ATOM 686 CA ILE A 43 9.166 2.673 3.713 1.00 0.00 C ATOM 687 C ILE A 43 10.536 2.323 4.279 1.00 0.00 C ATOM 688 O ILE A 43 11.186 3.153 4.916 1.00 0.00 O ATOM 689 OXT ILE A 43 10.995 1.228 4.106 1.00 0.00 O ATOM 690 CB ILE A 43 9.321 3.178 2.267 1.00 0.00 C ATOM 691 CG1 ILE A 43 7.947 3.376 1.620 1.00 0.00 C ATOM 692 CG2 ILE A 43 10.161 2.208 1.452 1.00 0.00 C ATOM 693 CD1 ILE A 43 7.971 4.258 0.393 1.00 0.00 C ATOM 694 H ILE A 43 8.427 4.619 4.213 1.00 0.00 H ATOM 695 HA ILE A 43 8.556 1.770 3.690 1.00 0.00 H ATOM 696 HB ILE A 43 9.810 4.152 2.272 1.00 0.00 H ATOM 697 1HG1 ILE A 43 7.536 2.408 1.338 1.00 0.00 H ATOM 698 2HG1 ILE A 43 7.265 3.821 2.345 1.00 0.00 H ATOM 699 1HG2 ILE A 43 10.260 2.579 0.432 1.00 0.00 H ATOM 700 2HG2 ILE A 43 11.149 2.116 1.902 1.00 0.00 H ATOM 701 3HG2 ILE A 43 9.677 1.231 1.436 1.00 0.00 H ATOM 702 1HD1 ILE A 43 6.962 4.351 -0.008 1.00 0.00 H ATOM 703 2HD1 ILE A 43 8.348 5.245 0.661 1.00 0.00 H ATOM 704 3HD1 ILE A 43 8.621 3.814 -0.361 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE nods_new_heeh_21.bp_pass_20160816000027_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_intra_sol_xover4 lk_ball_wtd fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun p_aa_pp yhh_planarity ref rama_prepro total weights 1 0.55 1 0.005 1 1 1 1.25 1 1 1 1 1.25 0.4 0.7 0.6 0.625 1 0.45 NA pose -238.113 26.6342 156.783 0.45552 9.50196 -3.74774 -84.6747 0.2311 -23.835 -3.24684 -5.91192 -11.4731 0 2.85115 50.2844 -10.2045 0 -2.20878 -10.2334 -146.907 ASP:NtermProteinFull_1 -4.06677 0.25603 5.48658 0.00417 0.47541 0.49442 -5.63406 0 0 0 -0.83427 -1.47772 0 0.13679 3.7084 0 0 -2.14574 0 -3.59676 TRP_2 -8.16213 1.08115 1.3154 0.0196 0.26847 -0.0964 -1.46302 0 0 0 0 0 0 -0.00398 1.43272 -0.073 0 2.26099 -0.29497 -3.71517 ARG_3 -5.45836 0.60221 5.41711 0.01317 0.3947 0.36243 -4.54822 0 0 0 -0.83427 -1.47772 0 0.41864 2.41528 -0.13372 0 -0.09474 -0.51506 -3.43854 GLU_4 -5.29446 0.31921 5.86628 0.00752 0.78614 -0.19748 -3.38855 0 0 0 0 -0.60985 0 0.15489 2.72317 -0.29262 0 -2.72453 -0.45647 -3.10674 ILE_5 -8.91887 0.91991 2.20627 0.02905 0.07277 -0.1189 -1.49441 0 0 0 0 0 0 -0.05097 0.09708 -0.42954 0 2.30374 -0.27944 -5.6633 ALA_6 -5.63333 0.34661 2.59414 0.00136 0 0.01307 -1.59504 0 0 0 0 0 0 0.00306 0 -0.22395 0 1.32468 -0.22344 -3.39285 LYS_7 -5.24883 0.33433 6.15739 0.01233 0.21087 -0.08597 -3.54807 0 0 0 0 -0.60985 0 0.03056 2.40091 0.01582 0 -0.71458 -0.36057 -1.40566 LEU_8 -5.26703 0.29841 3.4841 0.01608 0.07385 -0.20126 -1.85757 0 0 0 0 0 0 -0.03644 0.35213 -0.25944 0 1.66147 -0.31912 -2.05483 ALA_9 -6.67737 0.59976 2.23931 0.00136 0 -0.05006 -2.12538 0 0 0 0 0 0 -0.02087 0 -0.03015 0 1.32468 -0.27039 -5.0091 GLU_10 -5.91398 0.39159 5.47544 0.00836 0.33078 -0.3055 -2.60989 0 0 0 0 0 0 0.03278 2.57563 -0.00776 0 -2.72453 -0.17894 -2.92603 GLU_11 -5.16425 0.22584 5.96515 0.00871 0.3409 0.12701 -3.56293 0 0 0 0 -0.78413 0 -0.00948 2.55344 -0.01285 0 -2.72453 -0.14302 -3.18013 ALA_12 -6.44076 1.0804 3.67698 0.00136 0 0.01147 -2.41189 0 0 0 0 0 0 -0.01011 0 -0.25475 0 1.32468 -0.34871 -3.37133 LEU_13 -7.09869 0.61246 3.57952 0.01832 0.16991 0.01027 -1.61053 0 0 0 -0.40716 0 0 0.02321 0.7187 -0.22491 0 1.66147 -0.34135 -2.88878 LYS_14 -3.98319 0.18813 4.28599 0.00738 0.1234 -0.33805 -1.73621 0 0 0 0 0 0 -0.03952 0.97353 -0.07218 0 -0.71458 -0.34356 -1.64885 LYS_15 -5.15733 0.49508 5.31806 0.00791 0.14763 0.18176 -3.20189 0 0 0 -0.46038 -0.78413 0 -0.04862 0.87751 -0.07329 0 -0.71458 -0.50117 -3.91344 GLN_16 -4.2344 0.45516 4.07286 0.01057 0.57079 -0.12012 -1.24931 0 0 0 -0.40716 0 0 -0.06651 2.2858 -0.20904 0 -1.45095 -0.39531 -0.73763 GLN_17 -5.06617 1.14549 3.63045 0.00901 0.57852 -0.04479 -1.38591 0.03538 0 0 -0.46038 0 0 0.05057 1.52903 -0.02768 0 -1.45095 -0.30866 -1.76608 PRO_18 -2.83671 0.62649 0.97421 0.00303 0.11637 -0.1707 -0.68833 0.07064 0 0 0 0 0 -0.00947 0.33116 -0.81641 0 -1.64321 -0.4234 -4.46634 VAL_19 -6.72671 1.25369 1.23399 0.01758 0.04231 0.0673 -1.92311 0 0 0 0 0 0 0.25287 0.08606 -0.77862 0 2.64269 -0.44771 -4.27967 THR_20 -3.77369 0.80249 1.77327 0.01043 0.0669 -0.13108 -0.82838 0 0 0 0 -1.17116 0 0.21426 0.08318 0.23611 0 1.15175 0.09778 -1.46813 VAL_21 -6.19971 1.23796 1.13465 0.02003 0.05539 -0.10443 -0.69545 0 0 0 0 0 0 0.01656 0.76193 -0.48825 0 2.64269 0.1698 -1.44883 ASN_22 -2.10825 0.35273 1.4773 0.00657 0.30932 -0.25555 0.31504 0 0 0 0 0 0 -0.01104 1.50758 -0.84941 0 -1.34026 -0.32656 -0.92254 GLY_23 -1.39597 0.43675 1.25805 6e-05 0 -0.1759 0.14015 0 0 0 0 0 0 -0.07974 0 -1.47444 0 0.79816 -0.60069 -1.09356 GLN_24 -5.03161 0.54806 4.26634 0.01242 0.48957 0.0637 -2.36457 0 0 0 -0.6598 0 0 0.03918 2.3067 0.1596 0 -1.45095 -0.40048 -2.02184 THR_25 -4.67119 0.64045 2.90956 0.01136 0.05321 0.00529 -1.42067 0 0 0 -0.6598 -1.17116 0 -0.02468 0.17008 -0.02365 0 1.15175 0.04541 -2.98403 PHE_26 -8.34449 0.88046 2.53439 0.0241 0.27807 -0.30448 -1.4586 0 0 0 0 0 0 -0.04752 1.74698 -0.26057 0 1.21829 0.18672 -3.54666 ASN_27 -2.19342 0.07832 1.35117 0.00821 0.30783 -0.21924 -0.11454 0 0 0 0 0 0 0.03077 1.86574 -0.72499 0 -1.34026 -0.0157 -0.96611 ASP_28 -5.43356 1.26826 6.44526 0.00788 0.589 0.15758 -3.74896 0.00571 0 0 -0.59436 -0.95144 0 -0.03846 1.66991 -0.59854 0 -2.14574 -0.02543 -3.3929 PRO_29 -5.25126 0.85884 2.98344 0.00226 0.03643 0.07414 -0.84938 0.11937 0 0 0 0 0 -0.20574 0.28977 -0.77194 0 -1.64321 0.14797 -4.20931 ASN_30 -4.52978 0.7788 5.12176 0.00441 0.27252 -0.08505 -2.78624 0 0 0 -0.59436 -0.95144 0 0.11083 2.3357 0.20798 0 -1.34026 0.02665 -1.42846 GLU_31 -6.30981 0.46894 6.54025 0.00738 0.76786 -0.14593 -3.68082 0 0 0 0 -0.74227 0 0.59636 2.73288 -0.20955 0 -2.72453 -0.15435 -2.85359 ILE_32 -10.3353 1.08255 3.0716 0.02944 0.07499 -0.05025 -1.97881 0 0 0 0 0 0 0.59714 0.19305 -0.29634 0 2.30374 -0.24197 -5.55017 LYS_33 -6.18676 0.38414 5.12339 0.00913 0.19177 -0.31585 -1.93055 0 0 0 0 0 0 0.17611 0.95609 0.03371 0 -0.71458 -0.21572 -2.48911 LYS_34 -5.91219 0.4057 6.84641 0.00759 0.12528 0.05706 -4.42531 0 0 0 0 -0.74227 0 0.2837 1.20298 -0.02132 0 -0.71458 -0.37029 -3.25724 LEU_35 -8.28151 0.96122 2.14231 0.01738 0.17763 -0.05828 -1.84748 0 0 0 0 0 0 0.06588 0.60615 -0.22007 0 1.66147 -0.32678 -5.10208 LEU_36 -9.17155 0.95629 4.09917 0.01815 0.17305 -0.2635 -2.39684 0 0 0 0 0 0 0.00033 0.32503 -0.16798 0 1.66147 -0.00723 -4.77361 GLU_37 -5.81625 0.2316 5.95144 0.00592 0.26285 -0.46484 -2.29114 0 0 0 0 0 0 0.27971 2.53298 -0.2725 0 -2.72453 -0.21919 -2.52395 THR_38 -5.19629 0.27832 4.42034 0.01148 0.06316 -0.06035 -2.76408 0 0 0 0 0 0 0.00847 0.02519 -0.00624 0 1.15175 -0.22678 -2.29501 ALA_39 -7.1633 1.05965 2.62011 0.00136 0 -0.0583 -1.63677 0 0 0 0 0 0 -0.03103 0 -0.13796 0 1.32468 -0.0931 -4.11466 GLN_40 -5.59559 0.32413 4.18269 0.00733 0.1975 -0.51159 -0.72479 0 0 0 0 0 0 0.11012 2.28557 -0.20715 0 -1.45095 -0.3676 -1.75033 LYS_41 -3.3559 0.23579 3.49053 0.00723 0.12456 -0.17462 -0.59276 0 0 0 0 0 0 -0.00338 0.96493 -0.13632 0 -0.71458 -0.42649 -0.581 ALA_42 -3.6236 0.29444 1.62491 0.00136 0 -0.06339 -0.68659 0 0 0 0 0 0 -0.0441 0 -0.07065 0 1.32468 -0.4776 -1.72054 ILE:CtermProteinFull_43 -4.88278 0.83637 2.4358 0.02716 0.18226 -0.2014 0.12713 0 0 0 0 0 0 0 0.66147 0 0 2.30374 -0.2605 1.22924 #END_POSE_ENERGIES_TABLE nods_new_heeh_21.bp_pass_20160816000027_0001.pdb AlaCount 5 bb -0.0754904 buried_minus_exposed 3640.65 buried_np 5281.33 buried_over_exposed 3.21898 cavity_volume 0 contact_all 240 contact_core_SASA 120 contact_core_SCN 120 degree 9.55814 dslf_quality_check 0 entropy 0 exposed_hydrophobics 1640.67 exposed_polars 1480.32 exposed_total 3120.99 fxn_exposed_is_np 0.52569 helix_sc 0.792517 holes 0.72279 loop_sc 0.738505 mean_dslf 0 mismatch_probability 0.231845 one_core_each 0.75 pack 0.632241 percent_core_SASA 0.116252 percent_core_SCN 0.116252 res_count_core_SASA 5 res_count_core_SCN 5 ss_contributes_core 1 ss_sc 0.777889 two_core_each 0.5 unsat_hbond 3 unsat_hbond2 0
HEEH_rd4_0758.pdb
ATOM 1 N ASP A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA ASP A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C ASP A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O ASP A 1 1.281 2.379 -0.258 1.00 0.00 O ATOM 5 CB ASP A 1 1.995 -0.762 -1.214 1.00 0.00 C ATOM 6 CG ASP A 1 3.418 -1.266 -1.016 1.00 0.00 C ATOM 7 OD1 ASP A 1 4.007 -0.943 -0.012 1.00 0.00 O ATOM 8 OD2 ASP A 1 3.901 -1.970 -1.870 1.00 0.00 O ATOM 9 1H ASP A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 10 2H ASP A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 11 3H ASP A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 12 HA ASP A 1 1.804 -0.500 0.905 1.00 0.00 H ATOM 13 1HB ASP A 1 1.348 -1.614 -1.424 1.00 0.00 H ATOM 14 2HB ASP A 1 1.973 -0.112 -2.090 1.00 0.00 H ATOM 15 N ILE A 2 3.299 1.549 0.291 1.00 0.00 N ATOM 16 CA ILE A 2 3.949 2.854 0.330 1.00 0.00 C ATOM 17 C ILE A 2 3.893 3.537 -1.030 1.00 0.00 C ATOM 18 O ILE A 2 3.545 4.714 -1.131 1.00 0.00 O ATOM 19 CB ILE A 2 5.416 2.723 0.780 1.00 0.00 C ATOM 20 CG1 ILE A 2 5.488 2.324 2.256 1.00 0.00 C ATOM 21 CG2 ILE A 2 6.163 4.026 0.540 1.00 0.00 C ATOM 22 CD1 ILE A 2 6.872 1.924 2.713 1.00 0.00 C ATOM 23 H ILE A 2 3.843 0.722 0.491 1.00 0.00 H ATOM 24 HA ILE A 2 3.429 3.478 1.057 1.00 0.00 H ATOM 25 HB ILE A 2 5.900 1.928 0.214 1.00 0.00 H ATOM 26 1HG1 ILE A 2 5.151 3.155 2.874 1.00 0.00 H ATOM 27 2HG1 ILE A 2 4.814 1.487 2.440 1.00 0.00 H ATOM 28 1HG2 ILE A 2 7.198 3.916 0.864 1.00 0.00 H ATOM 29 2HG2 ILE A 2 6.139 4.269 -0.521 1.00 0.00 H ATOM 30 3HG2 ILE A 2 5.689 4.827 1.106 1.00 0.00 H ATOM 31 1HD1 ILE A 2 6.842 1.654 3.769 1.00 0.00 H ATOM 32 2HD1 ILE A 2 7.215 1.069 2.130 1.00 0.00 H ATOM 33 3HD1 ILE A 2 7.557 2.758 2.572 1.00 0.00 H ATOM 34 N VAL A 3 4.238 2.793 -2.075 1.00 0.00 N ATOM 35 CA VAL A 3 4.372 3.363 -3.411 1.00 0.00 C ATOM 36 C VAL A 3 3.026 3.834 -3.946 1.00 0.00 C ATOM 37 O VAL A 3 2.961 4.740 -4.776 1.00 0.00 O ATOM 38 CB VAL A 3 4.970 2.324 -4.378 1.00 0.00 C ATOM 39 CG1 VAL A 3 6.351 1.891 -3.907 1.00 0.00 C ATOM 40 CG2 VAL A 3 4.040 1.126 -4.491 1.00 0.00 C ATOM 41 H VAL A 3 4.413 1.807 -1.941 1.00 0.00 H ATOM 42 HA VAL A 3 5.046 4.219 -3.356 1.00 0.00 H ATOM 43 HB VAL A 3 5.094 2.783 -5.359 1.00 0.00 H ATOM 44 1HG1 VAL A 3 6.759 1.157 -4.602 1.00 0.00 H ATOM 45 2HG1 VAL A 3 7.010 2.758 -3.868 1.00 0.00 H ATOM 46 3HG1 VAL A 3 6.275 1.447 -2.915 1.00 0.00 H ATOM 47 1HG2 VAL A 3 4.469 0.396 -5.177 1.00 0.00 H ATOM 48 2HG2 VAL A 3 3.911 0.670 -3.509 1.00 0.00 H ATOM 49 3HG2 VAL A 3 3.071 1.453 -4.869 1.00 0.00 H ATOM 50 N GLU A 4 1.954 3.214 -3.466 1.00 0.00 N ATOM 51 CA GLU A 4 0.603 3.626 -3.828 1.00 0.00 C ATOM 52 C GLU A 4 0.255 4.975 -3.212 1.00 0.00 C ATOM 53 O GLU A 4 -0.322 5.839 -3.872 1.00 0.00 O ATOM 54 CB GLU A 4 -0.414 2.573 -3.383 1.00 0.00 C ATOM 55 CG GLU A 4 -0.319 1.251 -4.133 1.00 0.00 C ATOM 56 CD GLU A 4 -1.197 0.181 -3.545 1.00 0.00 C ATOM 57 OE1 GLU A 4 -1.312 0.127 -2.344 1.00 0.00 O ATOM 58 OE2 GLU A 4 -1.753 -0.583 -4.298 1.00 0.00 O ATOM 59 H GLU A 4 2.078 2.436 -2.833 1.00 0.00 H ATOM 60 HA GLU A 4 0.548 3.713 -4.914 1.00 0.00 H ATOM 61 1HB GLU A 4 -0.281 2.365 -2.321 1.00 0.00 H ATOM 62 2HB GLU A 4 -1.423 2.962 -3.518 1.00 0.00 H ATOM 63 1HG GLU A 4 -0.608 1.413 -5.171 1.00 0.00 H ATOM 64 2HG GLU A 4 0.716 0.913 -4.121 1.00 0.00 H ATOM 65 N LYS A 5 0.608 5.148 -1.943 1.00 0.00 N ATOM 66 CA LYS A 5 0.411 6.421 -1.260 1.00 0.00 C ATOM 67 C LYS A 5 1.313 7.503 -1.838 1.00 0.00 C ATOM 68 O LYS A 5 0.868 8.619 -2.105 1.00 0.00 O ATOM 69 CB LYS A 5 0.667 6.269 0.241 1.00 0.00 C ATOM 70 CG LYS A 5 0.492 7.553 1.042 1.00 0.00 C ATOM 71 CD LYS A 5 0.694 7.308 2.529 1.00 0.00 C ATOM 72 CE LYS A 5 0.556 8.596 3.327 1.00 0.00 C ATOM 73 NZ LYS A 5 0.760 8.373 4.784 1.00 0.00 N ATOM 74 H LYS A 5 1.025 4.379 -1.438 1.00 0.00 H ATOM 75 HA LYS A 5 -0.628 6.726 -1.390 1.00 0.00 H ATOM 76 1HB LYS A 5 -0.013 5.523 0.652 1.00 0.00 H ATOM 77 2HB LYS A 5 1.683 5.911 0.402 1.00 0.00 H ATOM 78 1HG LYS A 5 1.215 8.295 0.702 1.00 0.00 H ATOM 79 2HG LYS A 5 -0.511 7.949 0.880 1.00 0.00 H ATOM 80 1HD LYS A 5 -0.046 6.589 2.884 1.00 0.00 H ATOM 81 2HD LYS A 5 1.688 6.893 2.698 1.00 0.00 H ATOM 82 1HE LYS A 5 1.289 9.321 2.977 1.00 0.00 H ATOM 83 2HE LYS A 5 -0.439 9.014 3.173 1.00 0.00 H ATOM 84 1HZ LYS A 5 0.660 9.249 5.277 1.00 0.00 H ATOM 85 2HZ LYS A 5 0.073 7.715 5.124 1.00 0.00 H ATOM 86 3HZ LYS A 5 1.686 8.003 4.942 1.00 0.00 H ATOM 87 N VAL A 6 2.584 7.166 -2.031 1.00 0.00 N ATOM 88 CA VAL A 6 3.567 8.127 -2.515 1.00 0.00 C ATOM 89 C VAL A 6 3.207 8.630 -3.907 1.00 0.00 C ATOM 90 O VAL A 6 3.155 9.836 -4.147 1.00 0.00 O ATOM 91 CB VAL A 6 4.968 7.488 -2.550 1.00 0.00 C ATOM 92 CG1 VAL A 6 5.946 8.388 -3.289 1.00 0.00 C ATOM 93 CG2 VAL A 6 5.449 7.217 -1.132 1.00 0.00 C ATOM 94 H VAL A 6 2.877 6.219 -1.836 1.00 0.00 H ATOM 95 HA VAL A 6 3.587 8.976 -1.830 1.00 0.00 H ATOM 96 HB VAL A 6 4.915 6.549 -3.102 1.00 0.00 H ATOM 97 1HG1 VAL A 6 6.931 7.921 -3.305 1.00 0.00 H ATOM 98 2HG1 VAL A 6 5.601 8.539 -4.312 1.00 0.00 H ATOM 99 3HG1 VAL A 6 6.010 9.350 -2.782 1.00 0.00 H ATOM 100 1HG2 VAL A 6 6.440 6.765 -1.165 1.00 0.00 H ATOM 101 2HG2 VAL A 6 5.497 8.156 -0.579 1.00 0.00 H ATOM 102 3HG2 VAL A 6 4.756 6.538 -0.636 1.00 0.00 H ATOM 103 N GLU A 7 2.959 7.699 -4.821 1.00 0.00 N ATOM 104 CA GLU A 7 2.630 8.045 -6.198 1.00 0.00 C ATOM 105 C GLU A 7 1.399 8.941 -6.262 1.00 0.00 C ATOM 106 O GLU A 7 1.390 9.951 -6.965 1.00 0.00 O ATOM 107 CB GLU A 7 2.395 6.780 -7.026 1.00 0.00 C ATOM 108 CG GLU A 7 2.029 7.038 -8.480 1.00 0.00 C ATOM 109 CD GLU A 7 1.816 5.773 -9.264 1.00 0.00 C ATOM 110 OE1 GLU A 7 2.082 4.719 -8.738 1.00 0.00 O ATOM 111 OE2 GLU A 7 1.386 5.860 -10.390 1.00 0.00 O ATOM 112 H GLU A 7 2.999 6.725 -4.555 1.00 0.00 H ATOM 113 HA GLU A 7 3.475 8.582 -6.632 1.00 0.00 H ATOM 114 1HB GLU A 7 3.294 6.163 -7.011 1.00 0.00 H ATOM 115 2HB GLU A 7 1.591 6.196 -6.577 1.00 0.00 H ATOM 116 1HG GLU A 7 1.116 7.631 -8.515 1.00 0.00 H ATOM 117 2HG GLU A 7 2.825 7.618 -8.946 1.00 0.00 H ATOM 118 N THR A 8 0.360 8.564 -5.523 1.00 0.00 N ATOM 119 CA THR A 8 -0.885 9.321 -5.510 1.00 0.00 C ATOM 120 C THR A 8 -0.648 10.764 -5.084 1.00 0.00 C ATOM 121 O THR A 8 -1.111 11.699 -5.738 1.00 0.00 O ATOM 122 CB THR A 8 -1.920 8.669 -4.574 1.00 0.00 C ATOM 123 OG1 THR A 8 -2.240 7.356 -5.051 1.00 0.00 O ATOM 124 CG2 THR A 8 -3.189 9.506 -4.516 1.00 0.00 C ATOM 125 H THR A 8 0.436 7.731 -4.957 1.00 0.00 H ATOM 126 HA THR A 8 -1.303 9.318 -6.517 1.00 0.00 H ATOM 127 HB THR A 8 -1.501 8.585 -3.571 1.00 0.00 H ATOM 128 HG1 THR A 8 -1.575 6.734 -4.745 1.00 0.00 H ATOM 129 1HG2 THR A 8 -3.908 9.031 -3.850 1.00 0.00 H ATOM 130 2HG2 THR A 8 -2.951 10.502 -4.142 1.00 0.00 H ATOM 131 3HG2 THR A 8 -3.617 9.586 -5.514 1.00 0.00 H ATOM 132 N LEU A 9 0.076 10.940 -3.984 1.00 0.00 N ATOM 133 CA LEU A 9 0.317 12.267 -3.429 1.00 0.00 C ATOM 134 C LEU A 9 1.148 13.119 -4.381 1.00 0.00 C ATOM 135 O LEU A 9 0.905 14.317 -4.529 1.00 0.00 O ATOM 136 CB LEU A 9 1.033 12.154 -2.077 1.00 0.00 C ATOM 137 CG LEU A 9 0.196 11.578 -0.928 1.00 0.00 C ATOM 138 CD1 LEU A 9 1.095 11.311 0.272 1.00 0.00 C ATOM 139 CD2 LEU A 9 -0.916 12.553 -0.571 1.00 0.00 C ATOM 140 H LEU A 9 0.470 10.134 -3.520 1.00 0.00 H ATOM 141 HA LEU A 9 -0.645 12.755 -3.271 1.00 0.00 H ATOM 142 1HB LEU A 9 1.909 11.518 -2.200 1.00 0.00 H ATOM 143 2HB LEU A 9 1.369 13.146 -1.778 1.00 0.00 H ATOM 144 HG LEU A 9 -0.240 10.627 -1.236 1.00 0.00 H ATOM 145 1HD1 LEU A 9 0.501 10.902 1.088 1.00 0.00 H ATOM 146 2HD1 LEU A 9 1.870 10.596 -0.006 1.00 0.00 H ATOM 147 3HD1 LEU A 9 1.560 12.243 0.593 1.00 0.00 H ATOM 148 1HD2 LEU A 9 -1.511 12.144 0.246 1.00 0.00 H ATOM 149 2HD2 LEU A 9 -0.481 13.504 -0.262 1.00 0.00 H ATOM 150 3HD2 LEU A 9 -1.553 12.712 -1.441 1.00 0.00 H ATOM 151 N LEU A 10 2.128 12.494 -5.024 1.00 0.00 N ATOM 152 CA LEU A 10 2.986 13.191 -5.975 1.00 0.00 C ATOM 153 C LEU A 10 2.196 13.653 -7.193 1.00 0.00 C ATOM 154 O LEU A 10 2.432 14.739 -7.722 1.00 0.00 O ATOM 155 CB LEU A 10 4.136 12.278 -6.419 1.00 0.00 C ATOM 156 CG LEU A 10 5.189 11.965 -5.349 1.00 0.00 C ATOM 157 CD1 LEU A 10 6.140 10.896 -5.868 1.00 0.00 C ATOM 158 CD2 LEU A 10 5.941 13.238 -4.990 1.00 0.00 C ATOM 159 H LEU A 10 2.284 11.512 -4.849 1.00 0.00 H ATOM 160 HA LEU A 10 3.411 14.066 -5.482 1.00 0.00 H ATOM 161 1HB LEU A 10 3.717 11.331 -6.757 1.00 0.00 H ATOM 162 2HB LEU A 10 4.646 12.746 -7.260 1.00 0.00 H ATOM 163 HG LEU A 10 4.698 11.571 -4.459 1.00 0.00 H ATOM 164 1HD1 LEU A 10 6.889 10.674 -5.108 1.00 0.00 H ATOM 165 2HD1 LEU A 10 5.579 9.991 -6.099 1.00 0.00 H ATOM 166 3HD1 LEU A 10 6.635 11.256 -6.769 1.00 0.00 H ATOM 167 1HD2 LEU A 10 6.689 13.017 -4.228 1.00 0.00 H ATOM 168 2HD2 LEU A 10 6.434 13.633 -5.878 1.00 0.00 H ATOM 169 3HD2 LEU A 10 5.240 13.979 -4.604 1.00 0.00 H ATOM 170 N ARG A 11 1.258 12.821 -7.633 1.00 0.00 N ATOM 171 CA ARG A 11 0.377 13.177 -8.739 1.00 0.00 C ATOM 172 C ARG A 11 -0.542 14.332 -8.361 1.00 0.00 C ATOM 173 O ARG A 11 -0.851 15.189 -9.189 1.00 0.00 O ATOM 174 CB ARG A 11 -0.465 11.981 -9.160 1.00 0.00 C ATOM 175 CG ARG A 11 0.291 10.904 -9.921 1.00 0.00 C ATOM 176 CD ARG A 11 -0.598 9.780 -10.310 1.00 0.00 C ATOM 177 NE ARG A 11 0.129 8.727 -11.001 1.00 0.00 N ATOM 178 CZ ARG A 11 0.441 8.746 -12.312 1.00 0.00 C ATOM 179 NH1 ARG A 11 0.084 9.768 -13.058 1.00 0.00 N ATOM 180 NH2 ARG A 11 1.107 7.738 -12.847 1.00 0.00 N ATOM 181 H ARG A 11 1.153 11.919 -7.191 1.00 0.00 H ATOM 182 HA ARG A 11 0.991 13.482 -9.587 1.00 0.00 H ATOM 183 1HB ARG A 11 -0.902 11.516 -8.277 1.00 0.00 H ATOM 184 2HB ARG A 11 -1.285 12.318 -9.793 1.00 0.00 H ATOM 185 1HG ARG A 11 0.720 11.332 -10.828 1.00 0.00 H ATOM 186 2HG ARG A 11 1.091 10.508 -9.294 1.00 0.00 H ATOM 187 1HD ARG A 11 -1.053 9.351 -9.418 1.00 0.00 H ATOM 188 2HD ARG A 11 -1.379 10.147 -10.975 1.00 0.00 H ATOM 189 HE ARG A 11 0.421 7.924 -10.460 1.00 0.00 H ATOM 190 1HH1 ARG A 11 -0.424 10.539 -12.648 1.00 0.00 H ATOM 191 2HH1 ARG A 11 0.318 9.782 -14.040 1.00 0.00 H ATOM 192 1HH2 ARG A 11 1.382 6.952 -12.273 1.00 0.00 H ATOM 193 2HH2 ARG A 11 1.341 7.752 -13.828 1.00 0.00 H ATOM 194 N GLN A 12 -0.976 14.350 -7.105 1.00 0.00 N ATOM 195 CA GLN A 12 -1.756 15.464 -6.580 1.00 0.00 C ATOM 196 C GLN A 12 -0.927 16.740 -6.524 1.00 0.00 C ATOM 197 O GLN A 12 -1.453 17.841 -6.686 1.00 0.00 O ATOM 198 CB GLN A 12 -2.296 15.130 -5.186 1.00 0.00 C ATOM 199 CG GLN A 12 -3.374 14.060 -5.176 1.00 0.00 C ATOM 200 CD GLN A 12 -3.829 13.710 -3.771 1.00 0.00 C ATOM 201 OE1 GLN A 12 -3.218 14.129 -2.784 1.00 0.00 O ATOM 202 NE2 GLN A 12 -4.905 12.939 -3.674 1.00 0.00 N ATOM 203 H GLN A 12 -0.759 13.572 -6.499 1.00 0.00 H ATOM 204 HA GLN A 12 -2.610 15.630 -7.239 1.00 0.00 H ATOM 205 1HB GLN A 12 -1.478 14.790 -4.551 1.00 0.00 H ATOM 206 2HB GLN A 12 -2.710 16.030 -4.731 1.00 0.00 H ATOM 207 1HG GLN A 12 -4.237 14.423 -5.734 1.00 0.00 H ATOM 208 2HG GLN A 12 -2.980 13.157 -5.642 1.00 0.00 H ATOM 209 1HE2 GLN A 12 -5.252 12.675 -2.773 1.00 0.00 H ATOM 210 2HE2 GLN A 12 -5.370 12.622 -4.501 1.00 0.00 H ATOM 211 N GLY A 13 0.373 16.586 -6.295 1.00 0.00 N ATOM 212 CA GLY A 13 1.288 17.721 -6.278 1.00 0.00 C ATOM 213 C GLY A 13 1.655 18.111 -4.852 1.00 0.00 C ATOM 214 O GLY A 13 1.981 19.266 -4.579 1.00 0.00 O ATOM 215 H GLY A 13 0.736 15.658 -6.129 1.00 0.00 H ATOM 216 1HA GLY A 13 2.191 17.469 -6.834 1.00 0.00 H ATOM 217 2HA GLY A 13 0.826 18.568 -6.783 1.00 0.00 H ATOM 218 N LYS A 14 1.599 17.141 -3.946 1.00 0.00 N ATOM 219 CA LYS A 14 1.939 17.378 -2.548 1.00 0.00 C ATOM 220 C LYS A 14 3.342 16.877 -2.230 1.00 0.00 C ATOM 221 O LYS A 14 3.836 15.943 -2.861 1.00 0.00 O ATOM 222 CB LYS A 14 0.920 16.707 -1.627 1.00 0.00 C ATOM 223 CG LYS A 14 -0.495 17.260 -1.745 1.00 0.00 C ATOM 224 CD LYS A 14 -1.438 16.580 -0.764 1.00 0.00 C ATOM 225 CE LYS A 14 -2.842 17.158 -0.854 1.00 0.00 C ATOM 226 NZ LYS A 14 -3.761 16.544 0.143 1.00 0.00 N ATOM 227 H LYS A 14 1.314 16.216 -4.233 1.00 0.00 H ATOM 228 HA LYS A 14 1.901 18.452 -2.360 1.00 0.00 H ATOM 229 1HB LYS A 14 0.880 15.639 -1.844 1.00 0.00 H ATOM 230 2HB LYS A 14 1.237 16.818 -0.590 1.00 0.00 H ATOM 231 1HG LYS A 14 -0.485 18.331 -1.543 1.00 0.00 H ATOM 232 2HG LYS A 14 -0.863 17.103 -2.759 1.00 0.00 H ATOM 233 1HD LYS A 14 -1.479 15.511 -0.980 1.00 0.00 H ATOM 234 2HD LYS A 14 -1.065 16.713 0.251 1.00 0.00 H ATOM 235 1HE LYS A 14 -2.804 18.233 -0.682 1.00 0.00 H ATOM 236 2HE LYS A 14 -3.243 16.986 -1.852 1.00 0.00 H ATOM 237 1HZ LYS A 14 -4.680 16.954 0.051 1.00 0.00 H ATOM 238 2HZ LYS A 14 -3.819 15.549 -0.019 1.00 0.00 H ATOM 239 3HZ LYS A 14 -3.410 16.714 1.075 1.00 0.00 H ATOM 240 N GLU A 15 3.980 17.503 -1.247 1.00 0.00 N ATOM 241 CA GLU A 15 5.219 16.981 -0.682 1.00 0.00 C ATOM 242 C GLU A 15 4.977 15.674 0.062 1.00 0.00 C ATOM 243 O GLU A 15 4.018 15.552 0.825 1.00 0.00 O ATOM 244 CB GLU A 15 5.850 18.008 0.261 1.00 0.00 C ATOM 245 CG GLU A 15 7.153 17.554 0.903 1.00 0.00 C ATOM 246 CD GLU A 15 7.797 18.625 1.738 1.00 0.00 C ATOM 247 OE1 GLU A 15 7.367 19.751 1.662 1.00 0.00 O ATOM 248 OE2 GLU A 15 8.722 18.317 2.453 1.00 0.00 O ATOM 249 H GLU A 15 3.597 18.364 -0.882 1.00 0.00 H ATOM 250 HA GLU A 15 5.919 16.795 -1.497 1.00 0.00 H ATOM 251 1HB GLU A 15 6.049 18.930 -0.285 1.00 0.00 H ATOM 252 2HB GLU A 15 5.148 18.247 1.061 1.00 0.00 H ATOM 253 1HG GLU A 15 6.952 16.689 1.535 1.00 0.00 H ATOM 254 2HG GLU A 15 7.843 17.245 0.120 1.00 0.00 H ATOM 255 N VAL A 16 5.851 14.700 -0.163 1.00 0.00 N ATOM 256 CA VAL A 16 5.683 13.371 0.412 1.00 0.00 C ATOM 257 C VAL A 16 6.888 12.979 1.256 1.00 0.00 C ATOM 258 O VAL A 16 8.034 13.162 0.843 1.00 0.00 O ATOM 259 CB VAL A 16 5.480 12.328 -0.704 1.00 0.00 C ATOM 260 CG1 VAL A 16 5.329 10.936 -0.109 1.00 0.00 C ATOM 261 CG2 VAL A 16 4.263 12.693 -1.539 1.00 0.00 C ATOM 262 H VAL A 16 6.654 14.885 -0.748 1.00 0.00 H ATOM 263 HA VAL A 16 4.797 13.379 1.049 1.00 0.00 H ATOM 264 HB VAL A 16 6.366 12.312 -1.339 1.00 0.00 H ATOM 265 1HG1 VAL A 16 5.186 10.211 -0.912 1.00 0.00 H ATOM 266 2HG1 VAL A 16 6.226 10.681 0.454 1.00 0.00 H ATOM 267 3HG1 VAL A 16 4.464 10.915 0.554 1.00 0.00 H ATOM 268 1HG2 VAL A 16 4.126 11.952 -2.326 1.00 0.00 H ATOM 269 2HG2 VAL A 16 3.378 12.715 -0.903 1.00 0.00 H ATOM 270 3HG2 VAL A 16 4.411 13.676 -1.988 1.00 0.00 H ATOM 271 N ARG A 17 6.624 12.439 2.441 1.00 0.00 N ATOM 272 CA ARG A 17 7.678 11.886 3.283 1.00 0.00 C ATOM 273 C ARG A 17 7.269 10.540 3.866 1.00 0.00 C ATOM 274 O ARG A 17 6.106 10.330 4.211 1.00 0.00 O ATOM 275 CB ARG A 17 8.015 12.844 4.416 1.00 0.00 C ATOM 276 CG ARG A 17 8.470 14.226 3.972 1.00 0.00 C ATOM 277 CD ARG A 17 8.909 15.056 5.123 1.00 0.00 C ATOM 278 NE ARG A 17 9.179 16.429 4.729 1.00 0.00 N ATOM 279 CZ ARG A 17 9.741 17.358 5.527 1.00 0.00 C ATOM 280 NH1 ARG A 17 10.087 17.045 6.757 1.00 0.00 N ATOM 281 NH2 ARG A 17 9.944 18.583 5.075 1.00 0.00 N ATOM 282 H ARG A 17 5.668 12.410 2.766 1.00 0.00 H ATOM 283 HA ARG A 17 8.571 11.746 2.673 1.00 0.00 H ATOM 284 1HB ARG A 17 7.143 12.975 5.054 1.00 0.00 H ATOM 285 2HB ARG A 17 8.809 12.417 5.030 1.00 0.00 H ATOM 286 1HG ARG A 17 9.307 14.128 3.280 1.00 0.00 H ATOM 287 2HG ARG A 17 7.646 14.738 3.474 1.00 0.00 H ATOM 288 1HD ARG A 17 8.129 15.066 5.883 1.00 0.00 H ATOM 289 2HD ARG A 17 9.822 14.637 5.546 1.00 0.00 H ATOM 290 HE ARG A 17 8.926 16.707 3.790 1.00 0.00 H ATOM 291 1HH1 ARG A 17 9.931 16.109 7.103 1.00 0.00 H ATOM 292 2HH1 ARG A 17 10.508 17.741 7.355 1.00 0.00 H ATOM 293 1HH2 ARG A 17 9.679 18.823 4.129 1.00 0.00 H ATOM 294 2HH2 ARG A 17 10.365 19.278 5.673 1.00 0.00 H ATOM 295 N PHE A 18 8.231 9.630 3.973 1.00 0.00 N ATOM 296 CA PHE A 18 7.998 8.340 4.611 1.00 0.00 C ATOM 297 C PHE A 18 9.308 7.694 5.043 1.00 0.00 C ATOM 298 O PHE A 18 10.386 8.113 4.622 1.00 0.00 O ATOM 299 CB PHE A 18 7.250 7.402 3.662 1.00 0.00 C ATOM 300 CG PHE A 18 8.051 6.991 2.459 1.00 0.00 C ATOM 301 CD1 PHE A 18 8.851 5.859 2.495 1.00 0.00 C ATOM 302 CD2 PHE A 18 8.007 7.736 1.291 1.00 0.00 C ATOM 303 CE1 PHE A 18 9.589 5.481 1.389 1.00 0.00 C ATOM 304 CE2 PHE A 18 8.742 7.360 0.184 1.00 0.00 C ATOM 305 CZ PHE A 18 9.535 6.230 0.234 1.00 0.00 C ATOM 306 H PHE A 18 9.147 9.837 3.603 1.00 0.00 H ATOM 307 HA PHE A 18 7.378 8.497 5.494 1.00 0.00 H ATOM 308 1HB PHE A 18 6.956 6.500 4.198 1.00 0.00 H ATOM 309 2HB PHE A 18 6.339 7.887 3.314 1.00 0.00 H ATOM 310 HD1 PHE A 18 8.894 5.265 3.408 1.00 0.00 H ATOM 311 HD2 PHE A 18 7.381 8.629 1.251 1.00 0.00 H ATOM 312 HE1 PHE A 18 10.214 4.589 1.431 1.00 0.00 H ATOM 313 HE2 PHE A 18 8.698 7.954 -0.729 1.00 0.00 H ATOM 314 HZ PHE A 18 10.116 5.933 -0.638 1.00 0.00 H ATOM 315 N THR A 19 9.208 6.672 5.886 1.00 0.00 N ATOM 316 CA THR A 19 10.373 5.888 6.281 1.00 0.00 C ATOM 317 C THR A 19 10.241 4.440 5.829 1.00 0.00 C ATOM 318 O THR A 19 9.189 3.821 5.993 1.00 0.00 O ATOM 319 CB THR A 19 10.582 5.937 7.806 1.00 0.00 C ATOM 320 OG1 THR A 19 10.783 7.295 8.220 1.00 0.00 O ATOM 321 CG2 THR A 19 11.791 5.105 8.205 1.00 0.00 C ATOM 322 H THR A 19 8.302 6.431 6.263 1.00 0.00 H ATOM 323 HA THR A 19 11.257 6.322 5.812 1.00 0.00 H ATOM 324 HB THR A 19 9.697 5.545 8.307 1.00 0.00 H ATOM 325 HG1 THR A 19 11.674 7.396 8.564 1.00 0.00 H ATOM 326 1HG2 THR A 19 11.924 5.151 9.286 1.00 0.00 H ATOM 327 2HG2 THR A 19 11.637 4.070 7.901 1.00 0.00 H ATOM 328 3HG2 THR A 19 12.681 5.498 7.714 1.00 0.00 H ATOM 329 N TYR A 20 11.315 3.903 5.259 1.00 0.00 N ATOM 330 CA TYR A 20 11.328 2.519 4.800 1.00 0.00 C ATOM 331 C TYR A 20 12.650 1.841 5.134 1.00 0.00 C ATOM 332 O TYR A 20 13.717 2.308 4.736 1.00 0.00 O ATOM 333 CB TYR A 20 11.063 2.452 3.294 1.00 0.00 C ATOM 334 CG TYR A 20 11.010 1.043 2.746 1.00 0.00 C ATOM 335 CD1 TYR A 20 9.916 0.234 3.018 1.00 0.00 C ATOM 336 CD2 TYR A 20 12.054 0.560 1.972 1.00 0.00 C ATOM 337 CE1 TYR A 20 9.867 -1.053 2.518 1.00 0.00 C ATOM 338 CE2 TYR A 20 12.005 -0.726 1.472 1.00 0.00 C ATOM 339 CZ TYR A 20 10.917 -1.531 1.742 1.00 0.00 C ATOM 340 OH TYR A 20 10.869 -2.813 1.244 1.00 0.00 O ATOM 341 H TYR A 20 12.143 4.469 5.140 1.00 0.00 H ATOM 342 HA TYR A 20 10.522 1.981 5.301 1.00 0.00 H ATOM 343 1HB TYR A 20 10.114 2.941 3.069 1.00 0.00 H ATOM 344 2HB TYR A 20 11.845 2.994 2.763 1.00 0.00 H ATOM 345 HD1 TYR A 20 9.095 0.614 3.627 1.00 0.00 H ATOM 346 HD2 TYR A 20 12.914 1.196 1.759 1.00 0.00 H ATOM 347 HE1 TYR A 20 9.008 -1.688 2.732 1.00 0.00 H ATOM 348 HE2 TYR A 20 12.827 -1.106 0.863 1.00 0.00 H ATOM 349 HH TYR A 20 9.964 -3.134 1.276 1.00 0.00 H ATOM 350 N ASN A 21 12.573 0.736 5.868 1.00 0.00 N ATOM 351 CA ASN A 21 13.767 0.046 6.342 1.00 0.00 C ATOM 352 C ASN A 21 14.685 0.993 7.104 1.00 0.00 C ATOM 353 O ASN A 21 15.908 0.874 7.039 1.00 0.00 O ATOM 354 CB ASN A 21 14.507 -0.597 5.183 1.00 0.00 C ATOM 355 CG ASN A 21 13.732 -1.722 4.555 1.00 0.00 C ATOM 356 OD1 ASN A 21 12.754 -2.215 5.130 1.00 0.00 O ATOM 357 ND2 ASN A 21 14.148 -2.137 3.386 1.00 0.00 N ATOM 358 H ASN A 21 11.664 0.365 6.105 1.00 0.00 H ATOM 359 HA ASN A 21 13.460 -0.751 7.020 1.00 0.00 H ATOM 360 1HB ASN A 21 14.715 0.156 4.421 1.00 0.00 H ATOM 361 2HB ASN A 21 15.465 -0.982 5.532 1.00 0.00 H ATOM 362 1HD2 ASN A 21 13.671 -2.883 2.921 1.00 0.00 H ATOM 363 2HD2 ASN A 21 14.944 -1.709 2.958 1.00 0.00 H ATOM 364 N GLY A 22 14.087 1.934 7.827 1.00 0.00 N ATOM 365 CA GLY A 22 14.842 2.826 8.699 1.00 0.00 C ATOM 366 C GLY A 22 15.259 4.093 7.963 1.00 0.00 C ATOM 367 O GLY A 22 15.610 5.096 8.584 1.00 0.00 O ATOM 368 H GLY A 22 13.083 2.034 7.771 1.00 0.00 H ATOM 369 1HA GLY A 22 14.235 3.088 9.566 1.00 0.00 H ATOM 370 2HA GLY A 22 15.726 2.309 9.070 1.00 0.00 H ATOM 371 N GLN A 23 15.219 4.040 6.636 1.00 0.00 N ATOM 372 CA GLN A 23 15.647 5.164 5.811 1.00 0.00 C ATOM 373 C GLN A 23 14.507 6.149 5.588 1.00 0.00 C ATOM 374 O GLN A 23 13.426 5.771 5.137 1.00 0.00 O ATOM 375 CB GLN A 23 16.181 4.668 4.465 1.00 0.00 C ATOM 376 CG GLN A 23 16.591 5.777 3.511 1.00 0.00 C ATOM 377 CD GLN A 23 17.812 6.535 3.995 1.00 0.00 C ATOM 378 OE1 GLN A 23 18.863 5.944 4.259 1.00 0.00 O ATOM 379 NE2 GLN A 23 17.680 7.851 4.116 1.00 0.00 N ATOM 380 H GLN A 23 14.883 3.200 6.187 1.00 0.00 H ATOM 381 HA GLN A 23 16.460 5.680 6.324 1.00 0.00 H ATOM 382 1HB GLN A 23 17.048 4.029 4.630 1.00 0.00 H ATOM 383 2HB GLN A 23 15.419 4.065 3.971 1.00 0.00 H ATOM 384 1HG GLN A 23 16.823 5.340 2.540 1.00 0.00 H ATOM 385 2HG GLN A 23 15.766 6.483 3.415 1.00 0.00 H ATOM 386 1HE2 GLN A 23 18.452 8.405 4.432 1.00 0.00 H ATOM 387 2HE2 GLN A 23 16.810 8.290 3.892 1.00 0.00 H ATOM 388 N GLU A 24 14.755 7.415 5.907 1.00 0.00 N ATOM 389 CA GLU A 24 13.779 8.471 5.666 1.00 0.00 C ATOM 390 C GLU A 24 13.897 9.018 4.249 1.00 0.00 C ATOM 391 O GLU A 24 14.999 9.251 3.753 1.00 0.00 O ATOM 392 CB GLU A 24 13.960 9.605 6.677 1.00 0.00 C ATOM 393 CG GLU A 24 12.891 10.687 6.607 1.00 0.00 C ATOM 394 CD GLU A 24 13.036 11.723 7.687 1.00 0.00 C ATOM 395 OE1 GLU A 24 13.993 11.659 8.421 1.00 0.00 O ATOM 396 OE2 GLU A 24 12.188 12.580 7.777 1.00 0.00 O ATOM 397 H GLU A 24 15.643 7.652 6.327 1.00 0.00 H ATOM 398 HA GLU A 24 12.780 8.055 5.798 1.00 0.00 H ATOM 399 1HB GLU A 24 13.956 9.196 7.688 1.00 0.00 H ATOM 400 2HB GLU A 24 14.928 10.081 6.521 1.00 0.00 H ATOM 401 1HG GLU A 24 12.950 11.179 5.637 1.00 0.00 H ATOM 402 2HG GLU A 24 11.911 10.219 6.688 1.00 0.00 H ATOM 403 N PHE A 25 12.755 9.220 3.602 1.00 0.00 N ATOM 404 CA PHE A 25 12.726 9.783 2.257 1.00 0.00 C ATOM 405 C PHE A 25 11.928 11.080 2.220 1.00 0.00 C ATOM 406 O PHE A 25 10.880 11.194 2.855 1.00 0.00 O ATOM 407 CB PHE A 25 12.124 8.780 1.271 1.00 0.00 C ATOM 408 CG PHE A 25 12.922 7.516 1.129 1.00 0.00 C ATOM 409 CD1 PHE A 25 12.750 6.466 2.019 1.00 0.00 C ATOM 410 CD2 PHE A 25 13.848 7.373 0.106 1.00 0.00 C ATOM 411 CE1 PHE A 25 13.484 5.302 1.890 1.00 0.00 C ATOM 412 CE2 PHE A 25 14.582 6.211 -0.026 1.00 0.00 C ATOM 413 CZ PHE A 25 14.400 5.174 0.868 1.00 0.00 C ATOM 414 H PHE A 25 11.884 8.978 4.052 1.00 0.00 H ATOM 415 HA PHE A 25 13.750 9.993 1.948 1.00 0.00 H ATOM 416 1HB PHE A 25 11.118 8.513 1.592 1.00 0.00 H ATOM 417 2HB PHE A 25 12.041 9.242 0.288 1.00 0.00 H ATOM 418 HD1 PHE A 25 12.025 6.567 2.828 1.00 0.00 H ATOM 419 HD2 PHE A 25 13.992 8.192 -0.599 1.00 0.00 H ATOM 420 HE1 PHE A 25 13.339 4.486 2.597 1.00 0.00 H ATOM 421 HE2 PHE A 25 15.306 6.111 -0.835 1.00 0.00 H ATOM 422 HZ PHE A 25 14.980 4.258 0.766 1.00 0.00 H ATOM 423 N THR A 26 12.431 12.057 1.472 1.00 0.00 N ATOM 424 CA THR A 26 11.662 13.255 1.158 1.00 0.00 C ATOM 425 C THR A 26 11.545 13.455 -0.348 1.00 0.00 C ATOM 426 O THR A 26 12.549 13.474 -1.061 1.00 0.00 O ATOM 427 CB THR A 26 12.294 14.504 1.798 1.00 0.00 C ATOM 428 OG1 THR A 26 12.353 14.337 3.221 1.00 0.00 O ATOM 429 CG2 THR A 26 11.477 15.744 1.471 1.00 0.00 C ATOM 430 H THR A 26 13.371 11.967 1.112 1.00 0.00 H ATOM 431 HA THR A 26 10.660 13.142 1.574 1.00 0.00 H ATOM 432 HB THR A 26 13.308 14.634 1.419 1.00 0.00 H ATOM 433 HG1 THR A 26 11.507 14.014 3.540 1.00 0.00 H ATOM 434 1HG2 THR A 26 11.939 16.617 1.931 1.00 0.00 H ATOM 435 2HG2 THR A 26 11.440 15.880 0.390 1.00 0.00 H ATOM 436 3HG2 THR A 26 10.465 15.624 1.856 1.00 0.00 H ATOM 437 N LEU A 27 10.315 13.605 -0.826 1.00 0.00 N ATOM 438 CA LEU A 27 10.049 13.642 -2.259 1.00 0.00 C ATOM 439 C LEU A 27 9.375 14.947 -2.661 1.00 0.00 C ATOM 440 O LEU A 27 8.506 15.453 -1.951 1.00 0.00 O ATOM 441 CB LEU A 27 9.164 12.456 -2.665 1.00 0.00 C ATOM 442 CG LEU A 27 9.709 11.067 -2.308 1.00 0.00 C ATOM 443 CD1 LEU A 27 9.344 10.733 -0.868 1.00 0.00 C ATOM 444 CD2 LEU A 27 9.138 10.036 -3.270 1.00 0.00 C ATOM 445 H LEU A 27 9.543 13.695 -0.180 1.00 0.00 H ATOM 446 HA LEU A 27 10.999 13.561 -2.789 1.00 0.00 H ATOM 447 1HB LEU A 27 8.194 12.565 -2.182 1.00 0.00 H ATOM 448 2HB LEU A 27 9.016 12.487 -3.744 1.00 0.00 H ATOM 449 HG LEU A 27 10.796 11.072 -2.384 1.00 0.00 H ATOM 450 1HD1 LEU A 27 9.731 9.745 -0.615 1.00 0.00 H ATOM 451 2HD1 LEU A 27 9.781 11.475 -0.200 1.00 0.00 H ATOM 452 3HD1 LEU A 27 8.260 10.736 -0.757 1.00 0.00 H ATOM 453 1HD2 LEU A 27 9.526 9.048 -3.017 1.00 0.00 H ATOM 454 2HD2 LEU A 27 8.051 10.029 -3.194 1.00 0.00 H ATOM 455 3HD2 LEU A 27 9.429 10.289 -4.290 1.00 0.00 H ATOM 456 N HIS A 28 9.780 15.489 -3.805 1.00 0.00 N ATOM 457 CA HIS A 28 9.228 16.746 -4.295 1.00 0.00 C ATOM 458 C HIS A 28 8.765 16.618 -5.740 1.00 0.00 C ATOM 459 O HIS A 28 9.559 16.323 -6.633 1.00 0.00 O ATOM 460 CB HIS A 28 10.262 17.871 -4.182 1.00 0.00 C ATOM 461 CG HIS A 28 10.731 18.119 -2.782 1.00 0.00 C ATOM 462 ND1 HIS A 28 9.952 18.754 -1.838 1.00 0.00 N ATOM 463 CD2 HIS A 28 11.899 17.818 -2.166 1.00 0.00 C ATOM 464 CE1 HIS A 28 10.621 18.832 -0.700 1.00 0.00 C ATOM 465 NE2 HIS A 28 11.804 18.272 -0.874 1.00 0.00 N ATOM 466 H HIS A 28 10.489 15.017 -4.349 1.00 0.00 H ATOM 467 HA HIS A 28 8.371 17.013 -3.675 1.00 0.00 H ATOM 468 1HB HIS A 28 11.131 17.631 -4.796 1.00 0.00 H ATOM 469 2HB HIS A 28 9.836 18.797 -4.568 1.00 0.00 H ATOM 470 HD1 HIS A 28 9.000 19.039 -1.952 1.00 0.00 H ATOM 471 HD2 HIS A 28 12.809 17.323 -2.506 1.00 0.00 H ATOM 472 HE1 HIS A 28 10.173 19.302 0.175 1.00 0.00 H ATOM 473 N PRO A 29 7.475 16.841 -5.965 1.00 0.00 N ATOM 474 CA PRO A 29 6.913 16.803 -7.310 1.00 0.00 C ATOM 475 C PRO A 29 7.700 17.694 -8.261 1.00 0.00 C ATOM 476 O PRO A 29 8.112 18.796 -7.898 1.00 0.00 O ATOM 477 CB PRO A 29 5.486 17.320 -7.102 1.00 0.00 C ATOM 478 CG PRO A 29 5.151 16.918 -5.706 1.00 0.00 C ATOM 479 CD PRO A 29 6.432 17.119 -4.941 1.00 0.00 C ATOM 480 HA PRO A 29 6.958 15.776 -7.674 1.00 0.00 H ATOM 481 1HB PRO A 29 5.455 18.410 -7.251 1.00 0.00 H ATOM 482 2HB PRO A 29 4.812 16.874 -7.848 1.00 0.00 H ATOM 483 1HG PRO A 29 4.326 17.536 -5.321 1.00 0.00 H ATOM 484 2HG PRO A 29 4.803 15.875 -5.685 1.00 0.00 H ATOM 485 1HD PRO A 29 6.484 18.156 -4.578 1.00 0.00 H ATOM 486 2HD PRO A 29 6.471 16.411 -4.100 1.00 0.00 H ATOM 487 N GLY A 30 7.907 17.211 -9.482 1.00 0.00 N ATOM 488 CA GLY A 30 8.656 17.958 -10.485 1.00 0.00 C ATOM 489 C GLY A 30 10.100 17.480 -10.564 1.00 0.00 C ATOM 490 O GLY A 30 10.787 17.712 -11.559 1.00 0.00 O ATOM 491 H GLY A 30 7.537 16.302 -9.720 1.00 0.00 H ATOM 492 1HA GLY A 30 8.176 17.843 -11.457 1.00 0.00 H ATOM 493 2HA GLY A 30 8.633 19.019 -10.240 1.00 0.00 H ATOM 494 N ASP A 31 10.555 16.811 -9.511 1.00 0.00 N ATOM 495 CA ASP A 31 11.897 16.242 -9.486 1.00 0.00 C ATOM 496 C ASP A 31 11.865 14.744 -9.764 1.00 0.00 C ATOM 497 O ASP A 31 11.345 13.966 -8.965 1.00 0.00 O ATOM 498 CB ASP A 31 12.565 16.501 -8.134 1.00 0.00 C ATOM 499 CG ASP A 31 14.032 16.094 -8.110 1.00 0.00 C ATOM 500 OD1 ASP A 31 14.404 15.241 -8.880 1.00 0.00 O ATOM 501 OD2 ASP A 31 14.767 16.640 -7.322 1.00 0.00 O ATOM 502 H ASP A 31 9.956 16.694 -8.706 1.00 0.00 H ATOM 503 HA ASP A 31 12.494 16.728 -10.258 1.00 0.00 H ATOM 504 1HB ASP A 31 12.494 17.561 -7.890 1.00 0.00 H ATOM 505 2HB ASP A 31 12.037 15.949 -7.355 1.00 0.00 H ATOM 506 N PRO A 32 12.425 14.347 -10.902 1.00 0.00 N ATOM 507 CA PRO A 32 12.379 12.955 -11.333 1.00 0.00 C ATOM 508 C PRO A 32 12.910 12.025 -10.250 1.00 0.00 C ATOM 509 O PRO A 32 12.636 10.825 -10.260 1.00 0.00 O ATOM 510 CB PRO A 32 13.277 12.949 -12.574 1.00 0.00 C ATOM 511 CG PRO A 32 13.109 14.312 -13.154 1.00 0.00 C ATOM 512 CD PRO A 32 13.023 15.220 -11.957 1.00 0.00 C ATOM 513 HA PRO A 32 11.341 12.692 -11.543 1.00 0.00 H ATOM 514 1HB PRO A 32 14.316 12.733 -12.285 1.00 0.00 H ATOM 515 2HB PRO A 32 12.963 12.150 -13.262 1.00 0.00 H ATOM 516 1HG PRO A 32 13.959 14.553 -13.809 1.00 0.00 H ATOM 517 2HG PRO A 32 12.205 14.349 -13.780 1.00 0.00 H ATOM 518 1HD PRO A 32 14.033 15.552 -11.674 1.00 0.00 H ATOM 519 2HD PRO A 32 12.384 16.083 -12.196 1.00 0.00 H ATOM 520 N SER A 33 13.671 12.586 -9.317 1.00 0.00 N ATOM 521 CA SER A 33 14.258 11.804 -8.235 1.00 0.00 C ATOM 522 C SER A 33 13.193 11.011 -7.488 1.00 0.00 C ATOM 523 O SER A 33 13.476 9.958 -6.917 1.00 0.00 O ATOM 524 CB SER A 33 14.991 12.716 -7.271 1.00 0.00 C ATOM 525 OG SER A 33 16.074 13.345 -7.900 1.00 0.00 O ATOM 526 H SER A 33 13.848 13.580 -9.358 1.00 0.00 H ATOM 527 HA SER A 33 14.978 11.106 -8.664 1.00 0.00 H ATOM 528 1HB SER A 33 14.303 13.468 -6.887 1.00 0.00 H ATOM 529 2HB SER A 33 15.348 12.135 -6.421 1.00 0.00 H ATOM 530 HG SER A 33 15.717 14.134 -8.314 1.00 0.00 H ATOM 531 N VAL A 34 11.967 11.523 -7.496 1.00 0.00 N ATOM 532 CA VAL A 34 10.873 10.904 -6.757 1.00 0.00 C ATOM 533 C VAL A 34 10.461 9.581 -7.389 1.00 0.00 C ATOM 534 O VAL A 34 9.967 8.683 -6.707 1.00 0.00 O ATOM 535 CB VAL A 34 9.657 11.848 -6.711 1.00 0.00 C ATOM 536 CG1 VAL A 34 10.062 13.212 -6.172 1.00 0.00 C ATOM 537 CG2 VAL A 34 9.048 11.976 -8.098 1.00 0.00 C ATOM 538 H VAL A 34 11.788 12.364 -8.027 1.00 0.00 H ATOM 539 HA VAL A 34 11.209 10.715 -5.736 1.00 0.00 H ATOM 540 HB VAL A 34 8.917 11.439 -6.024 1.00 0.00 H ATOM 541 1HG1 VAL A 34 9.191 13.867 -6.146 1.00 0.00 H ATOM 542 2HG1 VAL A 34 10.462 13.101 -5.164 1.00 0.00 H ATOM 543 3HG1 VAL A 34 10.823 13.648 -6.819 1.00 0.00 H ATOM 544 1HG2 VAL A 34 8.188 12.644 -8.058 1.00 0.00 H ATOM 545 2HG2 VAL A 34 9.791 12.380 -8.786 1.00 0.00 H ATOM 546 3HG2 VAL A 34 8.727 10.994 -8.447 1.00 0.00 H ATOM 547 N GLU A 35 10.668 9.466 -8.696 1.00 0.00 N ATOM 548 CA GLU A 35 10.388 8.225 -9.410 1.00 0.00 C ATOM 549 C GLU A 35 11.432 7.161 -9.095 1.00 0.00 C ATOM 550 O GLU A 35 11.113 5.977 -8.990 1.00 0.00 O ATOM 551 CB GLU A 35 10.341 8.477 -10.919 1.00 0.00 C ATOM 552 CG GLU A 35 9.185 9.357 -11.373 1.00 0.00 C ATOM 553 CD GLU A 35 9.173 9.585 -12.859 1.00 0.00 C ATOM 554 OE1 GLU A 35 10.088 9.148 -13.516 1.00 0.00 O ATOM 555 OE2 GLU A 35 8.248 10.197 -13.339 1.00 0.00 O ATOM 556 H GLU A 35 11.028 10.258 -9.209 1.00 0.00 H ATOM 557 HA GLU A 35 9.410 7.859 -9.097 1.00 0.00 H ATOM 558 1HB GLU A 35 11.269 8.952 -11.238 1.00 0.00 H ATOM 559 2HB GLU A 35 10.264 7.525 -11.444 1.00 0.00 H ATOM 560 1HG GLU A 35 8.247 8.885 -11.082 1.00 0.00 H ATOM 561 2HG GLU A 35 9.251 10.317 -10.864 1.00 0.00 H ATOM 562 N GLU A 36 12.681 7.591 -8.946 1.00 0.00 N ATOM 563 CA GLU A 36 13.765 6.684 -8.588 1.00 0.00 C ATOM 564 C GLU A 36 13.566 6.112 -7.190 1.00 0.00 C ATOM 565 O GLU A 36 13.841 4.937 -6.945 1.00 0.00 O ATOM 566 CB GLU A 36 15.112 7.405 -8.668 1.00 0.00 C ATOM 567 CG GLU A 36 15.536 7.792 -10.078 1.00 0.00 C ATOM 568 CD GLU A 36 15.792 6.601 -10.959 1.00 0.00 C ATOM 569 OE1 GLU A 36 16.523 5.731 -10.551 1.00 0.00 O ATOM 570 OE2 GLU A 36 15.255 6.561 -12.041 1.00 0.00 O ATOM 571 H GLU A 36 12.884 8.570 -9.083 1.00 0.00 H ATOM 572 HA GLU A 36 13.778 5.861 -9.304 1.00 0.00 H ATOM 573 1HB GLU A 36 15.073 8.315 -8.069 1.00 0.00 H ATOM 574 2HB GLU A 36 15.891 6.769 -8.247 1.00 0.00 H ATOM 575 1HG GLU A 36 14.751 8.400 -10.528 1.00 0.00 H ATOM 576 2HG GLU A 36 16.439 8.397 -10.021 1.00 0.00 H ATOM 577 N ILE A 37 13.087 6.949 -6.277 1.00 0.00 N ATOM 578 CA ILE A 37 12.794 6.513 -4.917 1.00 0.00 C ATOM 579 C ILE A 37 11.702 5.451 -4.902 1.00 0.00 C ATOM 580 O ILE A 37 11.823 4.433 -4.220 1.00 0.00 O ATOM 581 CB ILE A 37 12.365 7.703 -4.039 1.00 0.00 C ATOM 582 CG1 ILE A 37 13.553 8.635 -3.785 1.00 0.00 C ATOM 583 CG2 ILE A 37 11.780 7.210 -2.724 1.00 0.00 C ATOM 584 CD1 ILE A 37 13.169 9.958 -3.163 1.00 0.00 C ATOM 585 H ILE A 37 12.921 7.912 -6.531 1.00 0.00 H ATOM 586 HA ILE A 37 13.702 6.088 -4.486 1.00 0.00 H ATOM 587 HB ILE A 37 11.611 8.289 -4.564 1.00 0.00 H ATOM 588 1HG1 ILE A 37 14.267 8.142 -3.126 1.00 0.00 H ATOM 589 2HG1 ILE A 37 14.064 8.837 -4.726 1.00 0.00 H ATOM 590 1HG2 ILE A 37 11.483 8.064 -2.115 1.00 0.00 H ATOM 591 2HG2 ILE A 37 10.910 6.587 -2.924 1.00 0.00 H ATOM 592 3HG2 ILE A 37 12.529 6.626 -2.189 1.00 0.00 H ATOM 593 1HD1 ILE A 37 14.063 10.563 -3.014 1.00 0.00 H ATOM 594 2HD1 ILE A 37 12.480 10.485 -3.825 1.00 0.00 H ATOM 595 3HD1 ILE A 37 12.687 9.782 -2.203 1.00 0.00 H ATOM 596 N ILE A 38 10.637 5.693 -5.658 1.00 0.00 N ATOM 597 CA ILE A 38 9.531 4.748 -5.750 1.00 0.00 C ATOM 598 C ILE A 38 10.009 3.387 -6.241 1.00 0.00 C ATOM 599 O ILE A 38 9.642 2.352 -5.685 1.00 0.00 O ATOM 600 CB ILE A 38 8.433 5.276 -6.691 1.00 0.00 C ATOM 601 CG1 ILE A 38 7.709 6.464 -6.051 1.00 0.00 C ATOM 602 CG2 ILE A 38 7.448 4.169 -7.033 1.00 0.00 C ATOM 603 CD1 ILE A 38 6.817 7.222 -7.008 1.00 0.00 C ATOM 604 H ILE A 38 10.592 6.555 -6.183 1.00 0.00 H ATOM 605 HA ILE A 38 9.095 4.628 -4.758 1.00 0.00 H ATOM 606 HB ILE A 38 8.888 5.643 -7.611 1.00 0.00 H ATOM 607 1HG1 ILE A 38 7.098 6.113 -5.221 1.00 0.00 H ATOM 608 2HG1 ILE A 38 8.442 7.161 -5.645 1.00 0.00 H ATOM 609 1HG2 ILE A 38 6.678 4.560 -7.699 1.00 0.00 H ATOM 610 2HG2 ILE A 38 7.975 3.354 -7.528 1.00 0.00 H ATOM 611 3HG2 ILE A 38 6.984 3.800 -6.119 1.00 0.00 H ATOM 612 1HD1 ILE A 38 6.339 8.048 -6.482 1.00 0.00 H ATOM 613 2HD1 ILE A 38 7.415 7.613 -7.831 1.00 0.00 H ATOM 614 3HD1 ILE A 38 6.053 6.552 -7.401 1.00 0.00 H ATOM 615 N LYS A 39 10.831 3.395 -7.285 1.00 0.00 N ATOM 616 CA LYS A 39 11.361 2.161 -7.852 1.00 0.00 C ATOM 617 C LYS A 39 12.182 1.391 -6.826 1.00 0.00 C ATOM 618 O LYS A 39 12.120 0.163 -6.763 1.00 0.00 O ATOM 619 CB LYS A 39 12.212 2.462 -9.087 1.00 0.00 C ATOM 620 CG LYS A 39 11.412 2.852 -10.323 1.00 0.00 C ATOM 621 CD LYS A 39 12.292 2.886 -11.564 1.00 0.00 C ATOM 622 CE LYS A 39 13.214 4.096 -11.557 1.00 0.00 C ATOM 623 NZ LYS A 39 13.992 4.210 -12.820 1.00 0.00 N ATOM 624 H LYS A 39 11.095 4.279 -7.696 1.00 0.00 H ATOM 625 HA LYS A 39 10.524 1.539 -8.170 1.00 0.00 H ATOM 626 1HB LYS A 39 12.902 3.277 -8.865 1.00 0.00 H ATOM 627 2HB LYS A 39 12.810 1.586 -9.339 1.00 0.00 H ATOM 628 1HG LYS A 39 10.607 2.133 -10.478 1.00 0.00 H ATOM 629 2HG LYS A 39 10.970 3.837 -10.174 1.00 0.00 H ATOM 630 1HD LYS A 39 12.896 1.979 -11.606 1.00 0.00 H ATOM 631 2HD LYS A 39 11.664 2.925 -12.454 1.00 0.00 H ATOM 632 1HE LYS A 39 12.624 5.002 -11.425 1.00 0.00 H ATOM 633 2HE LYS A 39 13.910 4.018 -10.722 1.00 0.00 H ATOM 634 1HZ LYS A 39 14.590 5.023 -12.775 1.00 0.00 H ATOM 635 2HZ LYS A 39 14.558 3.382 -12.943 1.00 0.00 H ATOM 636 3HZ LYS A 39 13.357 4.303 -13.600 1.00 0.00 H ATOM 637 N LYS A 40 12.950 2.119 -6.023 1.00 0.00 N ATOM 638 CA LYS A 40 13.751 1.509 -4.969 1.00 0.00 C ATOM 639 C LYS A 40 12.869 0.825 -3.932 1.00 0.00 C ATOM 640 O LYS A 40 13.236 -0.210 -3.376 1.00 0.00 O ATOM 641 CB LYS A 40 14.638 2.557 -4.295 1.00 0.00 C ATOM 642 CG LYS A 40 15.811 3.028 -5.145 1.00 0.00 C ATOM 643 CD LYS A 40 16.610 4.109 -4.432 1.00 0.00 C ATOM 644 CE LYS A 40 17.767 4.600 -5.290 1.00 0.00 C ATOM 645 NZ LYS A 40 18.542 5.677 -4.617 1.00 0.00 N ATOM 646 H LYS A 40 12.979 3.121 -6.146 1.00 0.00 H ATOM 647 HA LYS A 40 14.404 0.761 -5.420 1.00 0.00 H ATOM 648 1HB LYS A 40 14.038 3.431 -4.039 1.00 0.00 H ATOM 649 2HB LYS A 40 15.039 2.152 -3.366 1.00 0.00 H ATOM 650 1HG LYS A 40 16.468 2.184 -5.359 1.00 0.00 H ATOM 651 2HG LYS A 40 15.440 3.426 -6.089 1.00 0.00 H ATOM 652 1HD LYS A 40 15.957 4.952 -4.201 1.00 0.00 H ATOM 653 2HD LYS A 40 17.007 3.712 -3.498 1.00 0.00 H ATOM 654 1HE LYS A 40 18.436 3.769 -5.508 1.00 0.00 H ATOM 655 2HE LYS A 40 17.382 4.984 -6.235 1.00 0.00 H ATOM 656 1HZ LYS A 40 19.298 5.974 -5.217 1.00 0.00 H ATOM 657 2HZ LYS A 40 17.935 6.462 -4.427 1.00 0.00 H ATOM 658 3HZ LYS A 40 18.921 5.327 -3.748 1.00 0.00 H ATOM 659 N ILE A 41 11.703 1.410 -3.677 1.00 0.00 N ATOM 660 CA ILE A 41 10.745 0.832 -2.741 1.00 0.00 C ATOM 661 C ILE A 41 10.043 -0.376 -3.347 1.00 0.00 C ATOM 662 O ILE A 41 9.830 -1.384 -2.675 1.00 0.00 O ATOM 663 CB ILE A 41 9.697 1.876 -2.314 1.00 0.00 C ATOM 664 CG1 ILE A 41 10.376 3.064 -1.627 1.00 0.00 C ATOM 665 CG2 ILE A 41 8.663 1.245 -1.394 1.00 0.00 C ATOM 666 CD1 ILE A 41 11.158 2.689 -0.390 1.00 0.00 C ATOM 667 H ILE A 41 11.475 2.276 -4.142 1.00 0.00 H ATOM 668 HA ILE A 41 11.284 0.512 -1.848 1.00 0.00 H ATOM 669 HB ILE A 41 9.194 2.268 -3.197 1.00 0.00 H ATOM 670 1HG1 ILE A 41 11.056 3.549 -2.327 1.00 0.00 H ATOM 671 2HG1 ILE A 41 9.622 3.799 -1.343 1.00 0.00 H ATOM 672 1HG2 ILE A 41 7.930 1.997 -1.102 1.00 0.00 H ATOM 673 2HG2 ILE A 41 8.160 0.432 -1.916 1.00 0.00 H ATOM 674 3HG2 ILE A 41 9.157 0.854 -0.505 1.00 0.00 H ATOM 675 1HD1 ILE A 41 11.609 3.583 0.041 1.00 0.00 H ATOM 676 2HD1 ILE A 41 10.488 2.233 0.340 1.00 0.00 H ATOM 677 3HD1 ILE A 41 11.942 1.980 -0.656 1.00 0.00 H ATOM 678 N ARG A 42 9.685 -0.267 -4.622 1.00 0.00 N ATOM 679 CA ARG A 42 9.033 -1.362 -5.331 1.00 0.00 C ATOM 680 C ARG A 42 9.917 -2.602 -5.363 1.00 0.00 C ATOM 681 O ARG A 42 9.438 -3.722 -5.192 1.00 0.00 O ATOM 682 CB ARG A 42 8.691 -0.950 -6.755 1.00 0.00 C ATOM 683 CG ARG A 42 7.549 0.047 -6.875 1.00 0.00 C ATOM 684 CD ARG A 42 7.188 0.301 -8.294 1.00 0.00 C ATOM 685 NE ARG A 42 6.188 1.348 -8.420 1.00 0.00 N ATOM 686 CZ ARG A 42 4.864 1.166 -8.248 1.00 0.00 C ATOM 687 NH1 ARG A 42 4.398 -0.025 -7.943 1.00 0.00 N ATOM 688 NH2 ARG A 42 4.034 2.185 -8.386 1.00 0.00 N ATOM 689 H ARG A 42 9.869 0.596 -5.113 1.00 0.00 H ATOM 690 HA ARG A 42 8.106 -1.607 -4.811 1.00 0.00 H ATOM 691 1HB ARG A 42 9.567 -0.505 -7.225 1.00 0.00 H ATOM 692 2HB ARG A 42 8.420 -1.832 -7.334 1.00 0.00 H ATOM 693 1HG ARG A 42 6.669 -0.343 -6.363 1.00 0.00 H ATOM 694 2HG ARG A 42 7.843 0.994 -6.422 1.00 0.00 H ATOM 695 1HD ARG A 42 8.076 0.609 -8.845 1.00 0.00 H ATOM 696 2HD ARG A 42 6.786 -0.610 -8.735 1.00 0.00 H ATOM 697 HE ARG A 42 6.508 2.278 -8.654 1.00 0.00 H ATOM 698 1HH1 ARG A 42 5.033 -0.804 -7.838 1.00 0.00 H ATOM 699 2HH1 ARG A 42 3.406 -0.161 -7.814 1.00 0.00 H ATOM 700 1HH2 ARG A 42 4.392 3.101 -8.620 1.00 0.00 H ATOM 701 2HH2 ARG A 42 3.042 2.049 -8.257 1.00 0.00 H ATOM 702 N GLY A 43 11.211 -2.393 -5.584 1.00 0.00 N ATOM 703 CA GLY A 43 12.175 -3.488 -5.580 1.00 0.00 C ATOM 704 C GLY A 43 12.861 -3.621 -6.933 1.00 0.00 C ATOM 705 O GLY A 43 12.279 -3.303 -7.970 1.00 0.00 O ATOM 706 OXT GLY A 43 13.984 -4.040 -6.997 1.00 0.00 O ATOM 707 H GLY A 43 11.535 -1.453 -5.758 1.00 0.00 H ATOM 708 1HA GLY A 43 12.921 -3.313 -4.805 1.00 0.00 H ATOM 709 2HA GLY A 43 11.666 -4.419 -5.333 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE nods_new_heeh_16.bp_pass_20160820005422_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_intra_sol_xover4 lk_ball_wtd fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun p_aa_pp yhh_planarity ref rama_prepro total weights 1 0.55 1 0.005 1 1 1 1.25 1 1 1 1 1.25 0.4 0.7 0.6 0.625 1 0.45 NA pose -227.282 32.2934 131.321 0.53261 8.05517 -6.0422 -72.5807 0.131 -22.4276 -5.68744 -5.26914 -6.31206 0 3.11364 52.8675 -13.3405 0.05813 2.53671 -9.37303 -137.405 ASP:NtermProteinFull_1 -3.53891 0.21724 4.75805 0.00504 0.35091 0.10383 -4.11204 0 0 0 -1.14691 0 0 -0.00046 2.94678 0 0 -2.14574 0 -2.56222 ILE_2 -5.78776 0.86915 1.55305 0.02912 0.07179 -0.11407 -2.66777 0 0 0 -0.5541 0 0 0.21279 0.12403 -0.42357 0 2.30374 0.00148 -4.38213 VAL_3 -7.26004 1.08115 2.5607 0.01807 0.03648 -0.61051 -0.50731 0 0 0 0 0 0 0.08415 0.53915 0.26197 0 2.64269 -0.15674 -1.31024 GLU_4 -4.57059 0.47444 5.37723 0.00613 0.27223 0.01412 -3.0797 0 0 0 -0.5928 0 0 0.22986 3.12458 -0.17358 0 -2.72453 -0.3363 -1.9789 LYS_5 -4.63236 0.19458 3.86863 0.00938 0.19312 -0.22264 -1.38863 0 0 0 0 0 0 -0.01898 1.19501 0.01782 0 -0.71458 -0.31465 -1.81333 VAL_6 -8.27512 1.67248 1.82942 0.0203 0.05122 -0.21113 -2.01178 0 0 0 0 0 0 -0.04108 0.09228 -0.2986 0 2.64269 -0.09688 -4.6262 GLU_7 -6.03732 0.35926 6.06174 0.00873 0.35057 -0.01724 -3.67717 0 0 0 0 -0.98782 0 -0.01679 2.68262 -0.0609 0 -2.72453 -0.10392 -4.16277 THR_8 -5.14869 0.33407 4.87324 0.01084 0.06256 -0.36586 -2.62867 0 0 0 0 0 0 0.00235 0.0161 0.01688 0 1.15175 -0.06225 -1.73768 LEU_9 -8.13948 0.95246 4.43439 0.01622 0.0751 -0.34047 -2.55437 0 0 0 0 0 0 0.01595 0.25007 -0.2817 0 1.66147 -0.08215 -3.99251 LEU_10 -8.71971 1.0681 2.12436 0.0168 0.07613 -0.31385 -0.882 0 0 0 0 0 0 0.20454 0.20946 -0.2888 0 1.66147 -0.33347 -5.17697 ARG_11 -4.20366 0.33126 4.40868 0.01404 0.3356 0.21701 -2.23297 0 0 0 0 -0.98782 0 0.41812 1.9793 -0.14015 0 -0.09474 -0.42397 -0.37931 GLN_12 -4.64868 0.35618 3.7438 0.00697 0.19723 -0.35515 -1.1245 0 0 0 0 0 0 0.12644 2.43996 -0.25629 0 -1.45095 -0.50077 -1.46576 GLY_13 -2.44953 0.22661 2.24748 9e-05 0 -0.18982 -0.56028 0 0 0 0 0 0 -0.12189 0 -1.51119 0 0.79816 -0.0875 -1.64788 LYS_14 -4.61733 0.14761 3.74388 0.00736 0.11606 -0.30142 -1.11889 0 0 0 0 0 0 0.36469 0.93243 -0.03066 0 -0.71458 0.10191 -1.36894 GLU_15 -3.66698 0.13925 3.36247 0.00806 0.30019 -0.06303 -2.41593 0 0 0 0 -1.02628 0 0.16133 2.61755 -0.01463 0 -2.72453 -0.34231 -3.66485 VAL_16 -7.29593 1.64139 0.94463 0.01686 0.04072 0.03209 -1.6941 0 0 0 0 0 0 0.24479 0.06375 -0.78117 0 2.64269 -0.46621 -4.6105 ARG_17 -4.08746 0.35284 2.86781 0.0112 0.20955 0.24195 -2.14837 0 0 0 0 -1.02628 0 0.02716 2.15142 -0.2116 0 -0.09474 -0.27449 -1.98102 PHE_18 -7.90319 1.03045 0.30447 0.026 0.49731 0.06404 -1.82069 0 0 0 0 0 0 0.02855 1.1723 -0.46822 0 1.21829 -0.2104 -6.06109 THR_19 -3.87186 0.47078 1.46429 0.00959 0.0526 -0.3838 -0.43976 0 0 0 0 0 0 -0.03938 0.05185 -0.2177 0 1.15175 -0.06048 -1.81212 TYR_20 -7.02133 1.25234 2.70026 0.0215 0.13265 -0.29657 -1.10323 0 0 0 0 0 0 0.05267 1.70189 -0.21781 0.05813 0.58223 0.1548 -1.98248 ASN_21 -2.58244 0.45227 1.91214 0.0083 0.32078 -0.45644 0.32959 0 0 0 0 0 0 0.14201 2.03923 -0.97137 0 -1.34026 -0.26387 -0.41006 GLY_22 -1.65539 0.27688 1.23797 7e-05 0 -0.20159 -0.01788 0 0 0 0 0 0 -0.09102 0 -1.47112 0 0.79816 -0.63752 -1.76142 GLN_23 -5.23399 0.60856 4.35562 0.01232 0.49375 -0.02346 -2.85522 0 0 0 -0.77248 0 0 0.09701 2.1891 0.08585 0 -1.45095 -0.32849 -2.82237 GLU_24 -3.59916 0.17637 2.81358 0.0069 0.28685 -0.14642 -1.19373 0 0 0 -0.77248 0 0 -0.0296 2.64587 0.02996 0 -2.72453 -0.14492 -2.65131 PHE_25 -8.45306 0.8008 1.92378 0.02253 0.25059 -0.07804 -1.98434 0 0 0 0 0 0 0.53369 1.34154 -0.12684 0 1.21829 -0.20409 -4.75515 THR_26 -3.84504 0.40792 1.69792 0.00913 0.05613 -0.42002 -0.60853 0 0 0 0 0 0 0.30882 0.06239 -0.10914 0 1.15175 -0.03377 -1.32245 LEU_27 -9.26897 2.05499 -0.06284 0.02876 0.08451 -0.22482 -1.34144 0 0 0 0 0 0 0.01739 2.01354 -0.07802 0 1.66147 0.05604 -5.0594 HIS_D_28 -4.55308 0.88447 3.14916 0.00393 0.41253 -0.49 -1.21621 0.00194 0 0 0 0 0 0.06645 1.80698 -0.25219 0 -0.30065 0.15002 -0.33665 PRO_29 -4.13591 0.83449 1.77393 0.00242 0.07098 -0.24261 0.11175 0.02243 0 0 0 0 0 -0.09433 0.04635 -1.01366 0 -1.64321 -0.03853 -4.30591 GLY_30 -1.03399 0.17941 0.90986 7e-05 0 0.02591 -0.20838 0 0 0 0 0 0 0.01462 0 -1.49356 0 0.79816 -0.44167 -1.24956 ASP_31 -4.5455 2.09442 5.39866 0.00861 0.61498 0.46126 -4.14753 0.00985 0 0 -0.71518 -0.59338 0 -0.05329 2.03538 -0.34969 0 -2.14574 -0.43453 -2.3617 PRO_32 -3.5115 1.09618 3.0582 0.00226 0.03759 0.15715 -1.07099 0.09678 0 0 0 0 0 -0.20879 0.50594 -0.7947 0 -1.64321 -0.21879 -2.49388 SER_33 -4.30658 1.02271 4.659 0.00135 0.02563 0.01791 -3.53391 0 0 0 -0.71518 -0.59338 0 -0.08871 1.04391 -0.02324 0 -0.28969 -0.14528 -2.92545 VAL_34 -8.28003 2.45866 2.02041 0.02188 0.03816 0.02357 -1.61897 0 0 0 0 0 0 0.07763 0.81925 0.19851 0 2.64269 -0.26691 -1.86518 GLU_35 -4.87305 0.62123 4.05453 0.00611 0.26757 -0.1487 -1.56363 0 0 0 0 0 0 0.14947 2.6068 -0.29175 0 -2.72453 -0.36692 -2.26286 GLU_36 -5.34581 0.37281 6.13277 0.00723 0.75811 -0.03947 -3.56302 0 0 0 0 -0.54855 0 0.12786 2.873 -0.27553 0 -2.72453 -0.51182 -2.73696 ILE_37 -7.99498 1.06781 2.74109 0.0292 0.07284 -0.18063 -1.27004 0 0 0 0 0 0 -0.0263 0.12873 -0.42134 0 2.30374 -0.31343 -3.86331 ILE_38 -8.31627 0.89457 3.58931 0.0294 0.07303 0.07764 -1.94068 0 0 0 0 0 0 -0.0183 0.18624 -0.34451 0 2.30374 -0.023 -3.48883 LYS_39 -5.91249 0.42114 6.54004 0.01124 0.20515 -0.14957 -3.41247 0 0 0 0 -0.54855 0 0.06416 2.22492 -0.02881 0 -0.71458 -0.24157 -1.54138 LYS_40 -4.14565 0.34988 3.64605 0.00712 0.1193 -0.20157 -0.81839 0 0 0 0 0 0 0.07658 0.9301 -0.0562 0 -0.71458 -0.54149 -1.34886 ILE_41 -7.11478 1.27964 1.08119 0.03736 0.11478 -0.16214 -0.37665 0 0 0 0 0 0 0.00626 0.95821 -0.36315 0 2.30374 -0.33841 -2.57395 ARG_42 -5.35308 0.66105 3.54453 0.01398 0.32992 -0.392 -1.72 0 0 0 0 0 0 0.10721 2.1195 -0.11003 0 -0.09474 -0.26853 -1.16219 GLY:CtermProteinFull_43 -1.34485 0.1055 1.91568 0.00012 0 -0.13561 -0.39189 0 0 0 0 0 0 0 0 0 0 0.79816 -0.22121 0.72591 #END_POSE_ENERGIES_TABLE nods_new_heeh_16.bp_pass_20160820005422_0001.pdb AlaCount 0 bb -0.132235 buried_minus_exposed 3915.99 buried_np 5469.5 buried_over_exposed 3.52072 cavity_volume 12.7423 contact_all 306 contact_core_SASA 306 contact_core_SCN 306 degree 9.13953 dslf_quality_check 0 entropy 0 exposed_hydrophobics 1553.51 exposed_polars 1617.4 exposed_total 3170.91 fxn_exposed_is_np 0.489924 helix_sc 0.752965 holes 0.797145 loop_sc 0.717869 mean_dslf 0 mismatch_probability 0.276423 one_core_each 1 pack 0.647159 percent_core_SASA 0.0930016 percent_core_SCN 0.186003 res_count_core_SASA 4 res_count_core_SCN 8 ss_contributes_core 1 ss_sc 0.741827 two_core_each 0.75 unsat_hbond 3 unsat_hbond2 2
HHH_rd1_0033.pdb
ATOM 1 N SER A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA SER A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C SER A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O SER A 1 1.280 2.379 -0.255 1.00 0.00 O ATOM 5 CB SER A 1 1.980 -0.754 -1.207 1.00 0.00 C ATOM 6 OG SER A 1 1.692 -0.066 -2.393 1.00 0.00 O ATOM 7 1H SER A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 8 2H SER A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 9 3H SER A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 10 HA SER A 1 1.804 -0.506 0.902 1.00 0.00 H ATOM 11 1HB SER A 1 3.057 -0.889 -1.114 1.00 0.00 H ATOM 12 2HB SER A 1 1.529 -1.745 -1.240 1.00 0.00 H ATOM 13 HG SER A 1 0.936 -0.512 -2.781 1.00 0.00 H ATOM 14 N ASP A 2 3.300 1.549 0.287 1.00 0.00 N ATOM 15 CA ASP A 2 3.963 2.847 0.268 1.00 0.00 C ATOM 16 C ASP A 2 3.978 3.437 -1.136 1.00 0.00 C ATOM 17 O ASP A 2 3.848 4.648 -1.312 1.00 0.00 O ATOM 18 CB ASP A 2 5.396 2.725 0.792 1.00 0.00 C ATOM 19 CG ASP A 2 5.461 2.538 2.302 1.00 0.00 C ATOM 20 OD1 ASP A 2 4.519 2.899 2.967 1.00 0.00 O ATOM 21 OD2 ASP A 2 6.452 2.036 2.776 1.00 0.00 O ATOM 22 H ASP A 2 3.835 0.726 0.525 1.00 0.00 H ATOM 23 HA ASP A 2 3.418 3.524 0.926 1.00 0.00 H ATOM 24 1HB ASP A 2 5.887 1.876 0.314 1.00 0.00 H ATOM 25 2HB ASP A 2 5.959 3.620 0.527 1.00 0.00 H ATOM 26 N GLU A 3 4.138 2.574 -2.134 1.00 0.00 N ATOM 27 CA GLU A 3 4.131 3.003 -3.527 1.00 0.00 C ATOM 28 C GLU A 3 2.764 3.543 -3.929 1.00 0.00 C ATOM 29 O GLU A 3 2.666 4.535 -4.652 1.00 0.00 O ATOM 30 CB GLU A 3 4.522 1.843 -4.445 1.00 0.00 C ATOM 31 CG GLU A 3 5.967 1.387 -4.301 1.00 0.00 C ATOM 32 CD GLU A 3 6.957 2.461 -4.656 1.00 0.00 C ATOM 33 OE1 GLU A 3 6.748 3.135 -5.636 1.00 0.00 O ATOM 34 OE2 GLU A 3 7.924 2.608 -3.946 1.00 0.00 O ATOM 35 H GLU A 3 4.269 1.595 -1.921 1.00 0.00 H ATOM 36 HA GLU A 3 4.870 3.796 -3.649 1.00 0.00 H ATOM 37 1HB GLU A 3 3.879 0.986 -4.243 1.00 0.00 H ATOM 38 2HB GLU A 3 4.364 2.132 -5.484 1.00 0.00 H ATOM 39 1HG GLU A 3 6.138 1.078 -3.270 1.00 0.00 H ATOM 40 2HG GLU A 3 6.130 0.523 -4.943 1.00 0.00 H ATOM 41 N GLU A 4 1.711 2.886 -3.457 1.00 0.00 N ATOM 42 CA GLU A 4 0.351 3.371 -3.657 1.00 0.00 C ATOM 43 C GLU A 4 0.167 4.758 -3.054 1.00 0.00 C ATOM 44 O GLU A 4 -0.368 5.660 -3.698 1.00 0.00 O ATOM 45 CB GLU A 4 -0.659 2.399 -3.044 1.00 0.00 C ATOM 46 CG GLU A 4 -2.111 2.836 -3.173 1.00 0.00 C ATOM 47 CD GLU A 4 -3.067 1.898 -2.490 1.00 0.00 C ATOM 48 OE1 GLU A 4 -2.645 0.842 -2.082 1.00 0.00 O ATOM 49 OE2 GLU A 4 -4.221 2.237 -2.377 1.00 0.00 O ATOM 50 H GLU A 4 1.856 2.027 -2.945 1.00 0.00 H ATOM 51 HA GLU A 4 0.159 3.428 -4.729 1.00 0.00 H ATOM 52 1HB GLU A 4 -0.559 1.423 -3.520 1.00 0.00 H ATOM 53 2HB GLU A 4 -0.441 2.269 -1.984 1.00 0.00 H ATOM 54 1HG GLU A 4 -2.221 3.829 -2.738 1.00 0.00 H ATOM 55 2HG GLU A 4 -2.367 2.902 -4.230 1.00 0.00 H ATOM 56 N LEU A 5 0.613 4.921 -1.813 1.00 0.00 N ATOM 57 CA LEU A 5 0.476 6.192 -1.111 1.00 0.00 C ATOM 58 C LEU A 5 1.172 7.316 -1.866 1.00 0.00 C ATOM 59 O LEU A 5 0.636 8.417 -1.992 1.00 0.00 O ATOM 60 CB LEU A 5 1.059 6.081 0.304 1.00 0.00 C ATOM 61 CG LEU A 5 0.280 5.186 1.276 1.00 0.00 C ATOM 62 CD1 LEU A 5 1.100 4.975 2.541 1.00 0.00 C ATOM 63 CD2 LEU A 5 -1.062 5.829 1.595 1.00 0.00 C ATOM 64 H LEU A 5 1.058 4.145 -1.344 1.00 0.00 H ATOM 65 HA LEU A 5 -0.585 6.429 -1.029 1.00 0.00 H ATOM 66 1HB LEU A 5 2.072 5.688 0.232 1.00 0.00 H ATOM 67 2HB LEU A 5 1.108 7.079 0.739 1.00 0.00 H ATOM 68 HG LEU A 5 0.114 4.210 0.819 1.00 0.00 H ATOM 69 1HD1 LEU A 5 0.546 4.338 3.232 1.00 0.00 H ATOM 70 2HD1 LEU A 5 2.045 4.495 2.286 1.00 0.00 H ATOM 71 3HD1 LEU A 5 1.296 5.937 3.013 1.00 0.00 H ATOM 72 1HD2 LEU A 5 -1.616 5.193 2.285 1.00 0.00 H ATOM 73 2HD2 LEU A 5 -0.897 6.805 2.053 1.00 0.00 H ATOM 74 3HD2 LEU A 5 -1.634 5.952 0.675 1.00 0.00 H ATOM 75 N LYS A 6 2.369 7.033 -2.368 1.00 0.00 N ATOM 76 CA LYS A 6 3.145 8.023 -3.105 1.00 0.00 C ATOM 77 C LYS A 6 2.443 8.425 -4.395 1.00 0.00 C ATOM 78 O LYS A 6 2.435 9.597 -4.770 1.00 0.00 O ATOM 79 CB LYS A 6 4.544 7.486 -3.413 1.00 0.00 C ATOM 80 CG LYS A 6 5.461 7.388 -2.201 1.00 0.00 C ATOM 81 CD LYS A 6 6.896 7.100 -2.616 1.00 0.00 C ATOM 82 CE LYS A 6 7.073 5.647 -3.031 1.00 0.00 C ATOM 83 NZ LYS A 6 8.498 5.313 -3.298 1.00 0.00 N ATOM 84 H LYS A 6 2.752 6.107 -2.236 1.00 0.00 H ATOM 85 HA LYS A 6 3.260 8.909 -2.479 1.00 0.00 H ATOM 86 1HB LYS A 6 4.464 6.492 -3.854 1.00 0.00 H ATOM 87 2HB LYS A 6 5.028 8.131 -4.147 1.00 0.00 H ATOM 88 1HG LYS A 6 5.433 8.326 -1.646 1.00 0.00 H ATOM 89 2HG LYS A 6 5.114 6.589 -1.546 1.00 0.00 H ATOM 90 1HD LYS A 6 7.170 7.745 -3.452 1.00 0.00 H ATOM 91 2HD LYS A 6 7.565 7.313 -1.782 1.00 0.00 H ATOM 92 1HE LYS A 6 6.701 4.995 -2.242 1.00 0.00 H ATOM 93 2HE LYS A 6 6.493 5.454 -3.934 1.00 0.00 H ATOM 94 1HZ LYS A 6 8.572 4.343 -3.570 1.00 0.00 H ATOM 95 2HZ LYS A 6 8.849 5.900 -4.042 1.00 0.00 H ATOM 96 3HZ LYS A 6 9.043 5.470 -2.462 1.00 0.00 H ATOM 97 N LYS A 7 1.853 7.445 -5.072 1.00 0.00 N ATOM 98 CA LYS A 7 1.091 7.704 -6.288 1.00 0.00 C ATOM 99 C LYS A 7 -0.121 8.580 -6.002 1.00 0.00 C ATOM 100 O LYS A 7 -0.434 9.493 -6.767 1.00 0.00 O ATOM 101 CB LYS A 7 0.649 6.389 -6.933 1.00 0.00 C ATOM 102 CG LYS A 7 1.777 5.596 -7.580 1.00 0.00 C ATOM 103 CD LYS A 7 1.270 4.280 -8.151 1.00 0.00 C ATOM 104 CE LYS A 7 2.399 3.478 -8.781 1.00 0.00 C ATOM 105 NZ LYS A 7 1.920 2.180 -9.330 1.00 0.00 N ATOM 106 H LYS A 7 1.935 6.496 -4.736 1.00 0.00 H ATOM 107 HA LYS A 7 1.737 8.222 -6.998 1.00 0.00 H ATOM 108 1HB LYS A 7 0.181 5.754 -6.181 1.00 0.00 H ATOM 109 2HB LYS A 7 -0.098 6.594 -7.700 1.00 0.00 H ATOM 110 1HG LYS A 7 2.221 6.184 -8.384 1.00 0.00 H ATOM 111 2HG LYS A 7 2.547 5.387 -6.838 1.00 0.00 H ATOM 112 1HD LYS A 7 0.816 3.689 -7.354 1.00 0.00 H ATOM 113 2HD LYS A 7 0.512 4.480 -8.908 1.00 0.00 H ATOM 114 1HE LYS A 7 2.849 4.055 -9.587 1.00 0.00 H ATOM 115 2HE LYS A 7 3.166 3.280 -8.033 1.00 0.00 H ATOM 116 1HZ LYS A 7 2.696 1.679 -9.738 1.00 0.00 H ATOM 117 2HZ LYS A 7 1.516 1.627 -8.586 1.00 0.00 H ATOM 118 3HZ LYS A 7 1.221 2.351 -10.039 1.00 0.00 H ATOM 119 N ARG A 8 -0.801 8.298 -4.896 1.00 0.00 N ATOM 120 CA ARG A 8 -1.957 9.086 -4.485 1.00 0.00 C ATOM 121 C ARG A 8 -1.554 10.513 -4.135 1.00 0.00 C ATOM 122 O ARG A 8 -2.255 11.467 -4.474 1.00 0.00 O ATOM 123 CB ARG A 8 -2.642 8.447 -3.286 1.00 0.00 C ATOM 124 CG ARG A 8 -3.384 7.154 -3.587 1.00 0.00 C ATOM 125 CD ARG A 8 -4.040 6.602 -2.375 1.00 0.00 C ATOM 126 NE ARG A 8 -4.685 5.326 -2.640 1.00 0.00 N ATOM 127 CZ ARG A 8 -5.913 5.187 -3.176 1.00 0.00 C ATOM 128 NH1 ARG A 8 -6.615 6.251 -3.497 1.00 0.00 N ATOM 129 NH2 ARG A 8 -6.412 3.980 -3.379 1.00 0.00 N ATOM 130 H ARG A 8 -0.510 7.518 -4.325 1.00 0.00 H ATOM 131 HA ARG A 8 -2.667 9.116 -5.312 1.00 0.00 H ATOM 132 1HB ARG A 8 -1.902 8.231 -2.517 1.00 0.00 H ATOM 133 2HB ARG A 8 -3.361 9.148 -2.861 1.00 0.00 H ATOM 134 1HG ARG A 8 -4.152 7.342 -4.338 1.00 0.00 H ATOM 135 2HG ARG A 8 -2.681 6.411 -3.965 1.00 0.00 H ATOM 136 1HD ARG A 8 -3.295 6.452 -1.594 1.00 0.00 H ATOM 137 2HD ARG A 8 -4.798 7.300 -2.022 1.00 0.00 H ATOM 138 HE ARG A 8 -4.176 4.485 -2.406 1.00 0.00 H ATOM 139 1HH1 ARG A 8 -6.234 7.173 -3.342 1.00 0.00 H ATOM 140 2HH1 ARG A 8 -7.536 6.146 -3.898 1.00 0.00 H ATOM 141 1HH2 ARG A 8 -5.873 3.162 -3.132 1.00 0.00 H ATOM 142 2HH2 ARG A 8 -7.332 3.876 -3.780 1.00 0.00 H ATOM 143 N ILE A 9 -0.422 10.653 -3.454 1.00 0.00 N ATOM 144 CA ILE A 9 0.120 11.967 -3.129 1.00 0.00 C ATOM 145 C ILE A 9 0.409 12.770 -4.391 1.00 0.00 C ATOM 146 O ILE A 9 -0.002 13.924 -4.511 1.00 0.00 O ATOM 147 CB ILE A 9 1.407 11.839 -2.294 1.00 0.00 C ATOM 148 CG1 ILE A 9 1.079 11.364 -0.877 1.00 0.00 C ATOM 149 CG2 ILE A 9 2.150 13.166 -2.256 1.00 0.00 C ATOM 150 CD1 ILE A 9 2.291 10.942 -0.078 1.00 0.00 C ATOM 151 H ILE A 9 0.077 9.827 -3.154 1.00 0.00 H ATOM 152 HA ILE A 9 -0.616 12.507 -2.532 1.00 0.00 H ATOM 153 HB ILE A 9 2.055 11.084 -2.738 1.00 0.00 H ATOM 154 1HG1 ILE A 9 0.574 12.162 -0.333 1.00 0.00 H ATOM 155 2HG1 ILE A 9 0.393 10.518 -0.926 1.00 0.00 H ATOM 156 1HG2 ILE A 9 3.057 13.058 -1.661 1.00 0.00 H ATOM 157 2HG2 ILE A 9 2.414 13.464 -3.270 1.00 0.00 H ATOM 158 3HG2 ILE A 9 1.511 13.928 -1.809 1.00 0.00 H ATOM 159 1HD1 ILE A 9 1.978 10.618 0.915 1.00 0.00 H ATOM 160 2HD1 ILE A 9 2.793 10.118 -0.587 1.00 0.00 H ATOM 161 3HD1 ILE A 9 2.977 11.783 0.015 1.00 0.00 H ATOM 162 N GLU A 10 1.120 12.154 -5.329 1.00 0.00 N ATOM 163 CA GLU A 10 1.461 12.808 -6.586 1.00 0.00 C ATOM 164 C GLU A 10 0.217 13.346 -7.282 1.00 0.00 C ATOM 165 O GLU A 10 0.188 14.496 -7.721 1.00 0.00 O ATOM 166 CB GLU A 10 2.195 11.836 -7.512 1.00 0.00 C ATOM 167 CG GLU A 10 2.615 12.435 -8.847 1.00 0.00 C ATOM 168 CD GLU A 10 3.318 11.447 -9.736 1.00 0.00 C ATOM 169 OE1 GLU A 10 3.686 10.402 -9.256 1.00 0.00 O ATOM 170 OE2 GLU A 10 3.489 11.739 -10.896 1.00 0.00 O ATOM 171 H GLU A 10 1.432 11.207 -5.167 1.00 0.00 H ATOM 172 HA GLU A 10 2.130 13.643 -6.372 1.00 0.00 H ATOM 173 1HB GLU A 10 3.092 11.467 -7.014 1.00 0.00 H ATOM 174 2HB GLU A 10 1.557 10.976 -7.717 1.00 0.00 H ATOM 175 1HG GLU A 10 1.729 12.803 -9.363 1.00 0.00 H ATOM 176 2HG GLU A 10 3.273 13.283 -8.662 1.00 0.00 H ATOM 177 N GLU A 11 -0.809 12.508 -7.380 1.00 0.00 N ATOM 178 CA GLU A 11 -2.060 12.899 -8.019 1.00 0.00 C ATOM 179 C GLU A 11 -2.681 14.103 -7.323 1.00 0.00 C ATOM 180 O GLU A 11 -3.087 15.066 -7.973 1.00 0.00 O ATOM 181 CB GLU A 11 -3.048 11.730 -8.017 1.00 0.00 C ATOM 182 CG GLU A 11 -4.418 12.065 -8.590 1.00 0.00 C ATOM 183 CD GLU A 11 -4.379 12.366 -10.062 1.00 0.00 C ATOM 184 OE1 GLU A 11 -3.456 11.937 -10.713 1.00 0.00 O ATOM 185 OE2 GLU A 11 -5.273 13.026 -10.537 1.00 0.00 O ATOM 186 H GLU A 11 -0.720 11.575 -7.002 1.00 0.00 H ATOM 187 HA GLU A 11 -1.850 13.164 -9.056 1.00 0.00 H ATOM 188 1HB GLU A 11 -2.636 10.904 -8.596 1.00 0.00 H ATOM 189 2HB GLU A 11 -3.190 11.376 -6.996 1.00 0.00 H ATOM 190 1HG GLU A 11 -5.087 11.221 -8.421 1.00 0.00 H ATOM 191 2HG GLU A 11 -4.822 12.925 -8.058 1.00 0.00 H ATOM 192 N LEU A 12 -2.752 14.043 -5.998 1.00 0.00 N ATOM 193 CA LEU A 12 -3.361 15.110 -5.214 1.00 0.00 C ATOM 194 C LEU A 12 -2.590 16.415 -5.368 1.00 0.00 C ATOM 195 O LEU A 12 -3.183 17.489 -5.473 1.00 0.00 O ATOM 196 CB LEU A 12 -3.418 14.714 -3.733 1.00 0.00 C ATOM 197 CG LEU A 12 -4.425 13.613 -3.377 1.00 0.00 C ATOM 198 CD1 LEU A 12 -4.217 13.182 -1.932 1.00 0.00 C ATOM 199 CD2 LEU A 12 -5.839 14.128 -3.597 1.00 0.00 C ATOM 200 H LEU A 12 -2.374 13.236 -5.521 1.00 0.00 H ATOM 201 HA LEU A 12 -4.381 15.262 -5.570 1.00 0.00 H ATOM 202 1HB LEU A 12 -2.431 14.372 -3.427 1.00 0.00 H ATOM 203 2HB LEU A 12 -3.671 15.597 -3.147 1.00 0.00 H ATOM 204 HG LEU A 12 -4.253 12.743 -4.012 1.00 0.00 H ATOM 205 1HD1 LEU A 12 -4.933 12.400 -1.679 1.00 0.00 H ATOM 206 2HD1 LEU A 12 -3.204 12.800 -1.808 1.00 0.00 H ATOM 207 3HD1 LEU A 12 -4.367 14.037 -1.273 1.00 0.00 H ATOM 208 1HD2 LEU A 12 -6.555 13.345 -3.345 1.00 0.00 H ATOM 209 2HD2 LEU A 12 -6.013 14.997 -2.962 1.00 0.00 H ATOM 210 3HD2 LEU A 12 -5.965 14.412 -4.642 1.00 0.00 H ATOM 211 N VAL A 13 -1.265 16.316 -5.380 1.00 0.00 N ATOM 212 CA VAL A 13 -0.411 17.483 -5.566 1.00 0.00 C ATOM 213 C VAL A 13 -0.610 18.096 -6.947 1.00 0.00 C ATOM 214 O VAL A 13 -0.644 19.317 -7.095 1.00 0.00 O ATOM 215 CB VAL A 13 1.069 17.096 -5.388 1.00 0.00 C ATOM 216 CG1 VAL A 13 1.975 18.231 -5.843 1.00 0.00 C ATOM 217 CG2 VAL A 13 1.339 16.739 -3.934 1.00 0.00 C ATOM 218 H VAL A 13 -0.839 15.409 -5.256 1.00 0.00 H ATOM 219 HA VAL A 13 -0.672 18.227 -4.813 1.00 0.00 H ATOM 220 HB VAL A 13 1.289 16.236 -6.021 1.00 0.00 H ATOM 221 1HG1 VAL A 13 3.017 17.940 -5.710 1.00 0.00 H ATOM 222 2HG1 VAL A 13 1.789 18.444 -6.895 1.00 0.00 H ATOM 223 3HG1 VAL A 13 1.769 19.121 -5.248 1.00 0.00 H ATOM 224 1HG2 VAL A 13 2.387 16.466 -3.815 1.00 0.00 H ATOM 225 2HG2 VAL A 13 1.114 17.598 -3.301 1.00 0.00 H ATOM 226 3HG2 VAL A 13 0.710 15.898 -3.643 1.00 0.00 H ATOM 227 N ARG A 14 -0.741 17.240 -7.955 1.00 0.00 N ATOM 228 CA ARG A 14 -1.030 17.692 -9.311 1.00 0.00 C ATOM 229 C ARG A 14 -2.388 18.378 -9.385 1.00 0.00 C ATOM 230 O ARG A 14 -2.563 19.353 -10.116 1.00 0.00 O ATOM 231 CB ARG A 14 -1.002 16.522 -10.283 1.00 0.00 C ATOM 232 CG ARG A 14 0.384 15.973 -10.582 1.00 0.00 C ATOM 233 CD ARG A 14 0.331 14.849 -11.552 1.00 0.00 C ATOM 234 NE ARG A 14 1.641 14.256 -11.766 1.00 0.00 N ATOM 235 CZ ARG A 14 2.576 14.747 -12.602 1.00 0.00 C ATOM 236 NH1 ARG A 14 2.332 15.838 -13.294 1.00 0.00 N ATOM 237 NH2 ARG A 14 3.740 14.132 -12.727 1.00 0.00 N ATOM 238 H ARG A 14 -0.639 16.251 -7.777 1.00 0.00 H ATOM 239 HA ARG A 14 -0.261 18.406 -9.608 1.00 0.00 H ATOM 240 1HB ARG A 14 -1.602 15.705 -9.885 1.00 0.00 H ATOM 241 2HB ARG A 14 -1.448 16.825 -11.230 1.00 0.00 H ATOM 242 1HG ARG A 14 1.005 16.762 -11.005 1.00 0.00 H ATOM 243 2HG ARG A 14 0.838 15.608 -9.660 1.00 0.00 H ATOM 244 1HD ARG A 14 -0.337 14.075 -11.176 1.00 0.00 H ATOM 245 2HD ARG A 14 -0.039 15.213 -12.510 1.00 0.00 H ATOM 246 HE ARG A 14 1.866 13.415 -11.251 1.00 0.00 H ATOM 247 1HH1 ARG A 14 1.443 16.308 -13.198 1.00 0.00 H ATOM 248 2HH1 ARG A 14 3.033 16.206 -13.920 1.00 0.00 H ATOM 249 1HH2 ARG A 14 3.928 13.293 -12.195 1.00 0.00 H ATOM 250 2HH2 ARG A 14 4.440 14.500 -13.353 1.00 0.00 H ATOM 251 N ARG A 15 -3.348 17.863 -8.624 1.00 0.00 N ATOM 252 CA ARG A 15 -4.673 18.467 -8.548 1.00 0.00 C ATOM 253 C ARG A 15 -4.638 19.774 -7.767 1.00 0.00 C ATOM 254 O ARG A 15 -5.398 20.700 -8.053 1.00 0.00 O ATOM 255 CB ARG A 15 -5.660 17.513 -7.892 1.00 0.00 C ATOM 256 CG ARG A 15 -6.016 16.290 -8.722 1.00 0.00 C ATOM 257 CD ARG A 15 -6.969 15.401 -8.010 1.00 0.00 C ATOM 258 NE ARG A 15 -7.242 14.186 -8.760 1.00 0.00 N ATOM 259 CZ ARG A 15 -8.241 13.325 -8.486 1.00 0.00 C ATOM 260 NH1 ARG A 15 -9.052 13.559 -7.478 1.00 0.00 N ATOM 261 NH2 ARG A 15 -8.407 12.246 -9.230 1.00 0.00 N ATOM 262 H ARG A 15 -3.155 17.031 -8.084 1.00 0.00 H ATOM 263 HA ARG A 15 -5.015 18.678 -9.562 1.00 0.00 H ATOM 264 1HB ARG A 15 -5.250 17.160 -6.946 1.00 0.00 H ATOM 265 2HB ARG A 15 -6.586 18.043 -7.670 1.00 0.00 H ATOM 266 1HG ARG A 15 -6.478 16.608 -9.658 1.00 0.00 H ATOM 267 2HG ARG A 15 -5.112 15.721 -8.939 1.00 0.00 H ATOM 268 1HD ARG A 15 -6.550 15.119 -7.044 1.00 0.00 H ATOM 269 2HD ARG A 15 -7.911 15.926 -7.857 1.00 0.00 H ATOM 270 HE ARG A 15 -6.639 13.972 -9.544 1.00 0.00 H ATOM 271 1HH1 ARG A 15 -8.926 14.385 -6.909 1.00 0.00 H ATOM 272 2HH1 ARG A 15 -9.801 12.914 -7.272 1.00 0.00 H ATOM 273 1HH2 ARG A 15 -7.784 12.066 -10.005 1.00 0.00 H ATOM 274 2HH2 ARG A 15 -9.156 11.601 -9.024 1.00 0.00 H ATOM 275 N GLY A 16 -3.753 19.843 -6.779 1.00 0.00 N ATOM 276 CA GLY A 16 -3.608 21.043 -5.962 1.00 0.00 C ATOM 277 C GLY A 16 -3.878 20.744 -4.493 1.00 0.00 C ATOM 278 O GLY A 16 -3.671 21.596 -3.629 1.00 0.00 O ATOM 279 H GLY A 16 -3.165 19.045 -6.588 1.00 0.00 H ATOM 280 1HA GLY A 16 -2.601 21.442 -6.077 1.00 0.00 H ATOM 281 2HA GLY A 16 -4.299 21.808 -6.314 1.00 0.00 H ATOM 282 N ASN A 17 -4.340 19.530 -4.216 1.00 0.00 N ATOM 283 CA ASN A 17 -4.691 19.135 -2.857 1.00 0.00 C ATOM 284 C ASN A 17 -3.460 18.690 -2.078 1.00 0.00 C ATOM 285 O ASN A 17 -3.362 17.536 -1.660 1.00 0.00 O ATOM 286 CB ASN A 17 -5.739 18.037 -2.873 1.00 0.00 C ATOM 287 CG ASN A 17 -7.051 18.499 -3.443 1.00 0.00 C ATOM 288 OD1 ASN A 17 -7.498 19.620 -3.174 1.00 0.00 O ATOM 289 ND2 ASN A 17 -7.677 17.657 -4.225 1.00 0.00 N ATOM 290 H ASN A 17 -4.452 18.863 -4.966 1.00 0.00 H ATOM 291 HA ASN A 17 -5.124 19.996 -2.347 1.00 0.00 H ATOM 292 1HB ASN A 17 -5.375 17.196 -3.465 1.00 0.00 H ATOM 293 2HB ASN A 17 -5.903 17.676 -1.858 1.00 0.00 H ATOM 294 1HD2 ASN A 17 -8.555 17.911 -4.632 1.00 0.00 H ATOM 295 2HD2 ASN A 17 -7.278 16.760 -4.415 1.00 0.00 H ATOM 296 N LYS A 18 -2.523 19.612 -1.885 1.00 0.00 N ATOM 297 CA LYS A 18 -1.252 19.291 -1.246 1.00 0.00 C ATOM 298 C LYS A 18 -1.442 18.977 0.232 1.00 0.00 C ATOM 299 O LYS A 18 -0.787 18.088 0.777 1.00 0.00 O ATOM 300 CB LYS A 18 -0.261 20.444 -1.416 1.00 0.00 C ATOM 301 CG LYS A 18 0.232 20.645 -2.843 1.00 0.00 C ATOM 302 CD LYS A 18 1.136 21.864 -2.948 1.00 0.00 C ATOM 303 CE LYS A 18 1.679 22.031 -4.360 1.00 0.00 C ATOM 304 NZ LYS A 18 2.560 23.224 -4.480 1.00 0.00 N ATOM 305 H LYS A 18 -2.696 20.560 -2.188 1.00 0.00 H ATOM 306 HA LYS A 18 -0.829 18.415 -1.739 1.00 0.00 H ATOM 307 1HB LYS A 18 -0.726 21.374 -1.088 1.00 0.00 H ATOM 308 2HB LYS A 18 0.609 20.272 -0.782 1.00 0.00 H ATOM 309 1HG LYS A 18 0.786 19.763 -3.164 1.00 0.00 H ATOM 310 2HG LYS A 18 -0.622 20.778 -3.507 1.00 0.00 H ATOM 311 1HD LYS A 18 0.575 22.759 -2.675 1.00 0.00 H ATOM 312 2HD LYS A 18 1.973 21.757 -2.258 1.00 0.00 H ATOM 313 1HE LYS A 18 2.248 21.145 -4.637 1.00 0.00 H ATOM 314 2HE LYS A 18 0.849 22.136 -5.059 1.00 0.00 H ATOM 315 1HZ LYS A 18 2.898 23.300 -5.429 1.00 0.00 H ATOM 316 2HZ LYS A 18 2.036 24.055 -4.242 1.00 0.00 H ATOM 317 3HZ LYS A 18 3.343 23.130 -3.850 1.00 0.00 H ATOM 318 N ASP A 19 -2.342 19.711 0.877 1.00 0.00 N ATOM 319 CA ASP A 19 -2.622 19.510 2.294 1.00 0.00 C ATOM 320 C ASP A 19 -3.258 18.149 2.542 1.00 0.00 C ATOM 321 O ASP A 19 -2.961 17.487 3.537 1.00 0.00 O ATOM 322 CB ASP A 19 -3.542 20.614 2.821 1.00 0.00 C ATOM 323 CG ASP A 19 -2.849 21.966 2.920 1.00 0.00 C ATOM 324 OD1 ASP A 19 -1.643 21.999 2.863 1.00 0.00 O ATOM 325 OD2 ASP A 19 -3.533 22.953 3.053 1.00 0.00 O ATOM 326 H ASP A 19 -2.846 20.427 0.373 1.00 0.00 H ATOM 327 HA ASP A 19 -1.681 19.562 2.843 1.00 0.00 H ATOM 328 1HB ASP A 19 -4.406 20.712 2.163 1.00 0.00 H ATOM 329 2HB ASP A 19 -3.913 20.338 3.808 1.00 0.00 H ATOM 330 N GLU A 20 -4.134 17.736 1.632 1.00 0.00 N ATOM 331 CA GLU A 20 -4.802 16.445 1.744 1.00 0.00 C ATOM 332 C GLU A 20 -3.830 15.298 1.498 1.00 0.00 C ATOM 333 O GLU A 20 -3.946 14.233 2.105 1.00 0.00 O ATOM 334 CB GLU A 20 -5.966 16.360 0.754 1.00 0.00 C ATOM 335 CG GLU A 20 -7.087 17.355 1.015 1.00 0.00 C ATOM 336 CD GLU A 20 -7.707 17.195 2.375 1.00 0.00 C ATOM 337 OE1 GLU A 20 -8.034 16.088 2.731 1.00 0.00 O ATOM 338 OE2 GLU A 20 -7.854 18.180 3.059 1.00 0.00 O ATOM 339 H GLU A 20 -4.342 18.331 0.844 1.00 0.00 H ATOM 340 HA GLU A 20 -5.207 16.350 2.752 1.00 0.00 H ATOM 341 1HB GLU A 20 -5.597 16.530 -0.258 1.00 0.00 H ATOM 342 2HB GLU A 20 -6.395 15.358 0.781 1.00 0.00 H ATOM 343 1HG GLU A 20 -6.690 18.366 0.926 1.00 0.00 H ATOM 344 2HG GLU A 20 -7.856 17.229 0.253 1.00 0.00 H ATOM 345 N ALA A 21 -2.871 15.522 0.606 1.00 0.00 N ATOM 346 CA ALA A 21 -1.809 14.554 0.364 1.00 0.00 C ATOM 347 C ALA A 21 -0.969 14.332 1.615 1.00 0.00 C ATOM 348 O ALA A 21 -0.572 13.207 1.917 1.00 0.00 O ATOM 349 CB ALA A 21 -0.928 15.011 -0.790 1.00 0.00 C ATOM 350 H ALA A 21 -2.878 16.386 0.083 1.00 0.00 H ATOM 351 HA ALA A 21 -2.264 13.605 0.076 1.00 0.00 H ATOM 352 1HB ALA A 21 -0.140 14.278 -0.959 1.00 0.00 H ATOM 353 2HB ALA A 21 -1.532 15.109 -1.692 1.00 0.00 H ATOM 354 3HB ALA A 21 -0.482 15.974 -0.547 1.00 0.00 H ATOM 355 N ARG A 22 -0.701 15.413 2.340 1.00 0.00 N ATOM 356 CA ARG A 22 -0.005 15.324 3.618 1.00 0.00 C ATOM 357 C ARG A 22 -0.824 14.545 4.639 1.00 0.00 C ATOM 358 O ARG A 22 -0.292 13.709 5.370 1.00 0.00 O ATOM 359 CB ARG A 22 0.291 16.713 4.164 1.00 0.00 C ATOM 360 CG ARG A 22 0.998 16.734 5.510 1.00 0.00 C ATOM 361 CD ARG A 22 2.343 16.109 5.434 1.00 0.00 C ATOM 362 NE ARG A 22 2.942 15.948 6.749 1.00 0.00 N ATOM 363 CZ ARG A 22 3.676 16.889 7.376 1.00 0.00 C ATOM 364 NH1 ARG A 22 3.893 18.048 6.795 1.00 0.00 N ATOM 365 NH2 ARG A 22 4.179 16.645 8.574 1.00 0.00 N ATOM 366 H ARG A 22 -0.986 16.319 1.998 1.00 0.00 H ATOM 367 HA ARG A 22 0.942 14.806 3.462 1.00 0.00 H ATOM 368 1HB ARG A 22 0.915 17.256 3.456 1.00 0.00 H ATOM 369 2HB ARG A 22 -0.641 17.268 4.272 1.00 0.00 H ATOM 370 1HG ARG A 22 1.118 17.766 5.842 1.00 0.00 H ATOM 371 2HG ARG A 22 0.405 16.184 6.242 1.00 0.00 H ATOM 372 1HD ARG A 22 2.261 15.124 4.975 1.00 0.00 H ATOM 373 2HD ARG A 22 3.002 16.735 4.834 1.00 0.00 H ATOM 374 HE ARG A 22 2.797 15.069 7.228 1.00 0.00 H ATOM 375 1HH1 ARG A 22 3.509 18.234 5.879 1.00 0.00 H ATOM 376 2HH1 ARG A 22 4.443 18.753 7.264 1.00 0.00 H ATOM 377 1HH2 ARG A 22 4.012 15.754 9.020 1.00 0.00 H ATOM 378 2HH2 ARG A 22 4.729 17.350 9.043 1.00 0.00 H ATOM 379 N LYS A 23 -2.123 14.824 4.685 1.00 0.00 N ATOM 380 CA LYS A 23 -3.029 14.108 5.575 1.00 0.00 C ATOM 381 C LYS A 23 -2.993 12.609 5.309 1.00 0.00 C ATOM 382 O LYS A 23 -3.004 11.803 6.240 1.00 0.00 O ATOM 383 CB LYS A 23 -4.457 14.635 5.422 1.00 0.00 C ATOM 384 CG LYS A 23 -4.675 16.034 5.982 1.00 0.00 C ATOM 385 CD LYS A 23 -6.100 16.509 5.744 1.00 0.00 C ATOM 386 CE LYS A 23 -6.287 17.951 6.193 1.00 0.00 C ATOM 387 NZ LYS A 23 -7.656 18.453 5.898 1.00 0.00 N ATOM 388 H LYS A 23 -2.491 15.550 4.087 1.00 0.00 H ATOM 389 HA LYS A 23 -2.717 14.288 6.604 1.00 0.00 H ATOM 390 1HB LYS A 23 -4.727 14.651 4.365 1.00 0.00 H ATOM 391 2HB LYS A 23 -5.150 13.961 5.926 1.00 0.00 H ATOM 392 1HG LYS A 23 -4.476 16.032 7.054 1.00 0.00 H ATOM 393 2HG LYS A 23 -3.985 16.729 5.504 1.00 0.00 H ATOM 394 1HD LYS A 23 -6.336 16.434 4.681 1.00 0.00 H ATOM 395 2HD LYS A 23 -6.793 15.874 6.297 1.00 0.00 H ATOM 396 1HE LYS A 23 -6.109 18.023 7.264 1.00 0.00 H ATOM 397 2HE LYS A 23 -5.563 18.587 5.683 1.00 0.00 H ATOM 398 1HZ LYS A 23 -7.739 19.410 6.210 1.00 0.00 H ATOM 399 2HZ LYS A 23 -7.826 18.407 4.903 1.00 0.00 H ATOM 400 3HZ LYS A 23 -8.336 17.882 6.381 1.00 0.00 H ATOM 401 N LEU A 24 -2.948 12.240 4.033 1.00 0.00 N ATOM 402 CA LEU A 24 -2.841 10.839 3.644 1.00 0.00 C ATOM 403 C LEU A 24 -1.605 10.191 4.253 1.00 0.00 C ATOM 404 O LEU A 24 -1.688 9.125 4.863 1.00 0.00 O ATOM 405 CB LEU A 24 -2.791 10.716 2.116 1.00 0.00 C ATOM 406 CG LEU A 24 -2.589 9.297 1.569 1.00 0.00 C ATOM 407 CD1 LEU A 24 -3.771 8.425 1.970 1.00 0.00 C ATOM 408 CD2 LEU A 24 -2.438 9.352 0.056 1.00 0.00 C ATOM 409 H LEU A 24 -2.990 12.948 3.315 1.00 0.00 H ATOM 410 HA LEU A 24 -3.726 10.311 4.003 1.00 0.00 H ATOM 411 1HB LEU A 24 -3.723 11.099 1.705 1.00 0.00 H ATOM 412 2HB LEU A 24 -1.973 11.334 1.744 1.00 0.00 H ATOM 413 HG LEU A 24 -1.690 8.862 2.007 1.00 0.00 H ATOM 414 1HD1 LEU A 24 -3.628 7.417 1.581 1.00 0.00 H ATOM 415 2HD1 LEU A 24 -3.843 8.387 3.057 1.00 0.00 H ATOM 416 3HD1 LEU A 24 -4.688 8.845 1.559 1.00 0.00 H ATOM 417 1HD2 LEU A 24 -2.294 8.344 -0.333 1.00 0.00 H ATOM 418 2HD2 LEU A 24 -3.337 9.786 -0.384 1.00 0.00 H ATOM 419 3HD2 LEU A 24 -1.576 9.967 -0.202 1.00 0.00 H ATOM 420 N ALA A 25 -0.458 10.841 4.084 1.00 0.00 N ATOM 421 CA ALA A 25 0.799 10.327 4.613 1.00 0.00 C ATOM 422 C ALA A 25 0.741 10.183 6.129 1.00 0.00 C ATOM 423 O ALA A 25 1.240 9.207 6.689 1.00 0.00 O ATOM 424 CB ALA A 25 1.953 11.234 4.212 1.00 0.00 C ATOM 425 H ALA A 25 -0.458 11.713 3.575 1.00 0.00 H ATOM 426 HA ALA A 25 0.983 9.345 4.176 1.00 0.00 H ATOM 427 1HB ALA A 25 2.885 10.837 4.615 1.00 0.00 H ATOM 428 2HB ALA A 25 2.019 11.280 3.125 1.00 0.00 H ATOM 429 3HB ALA A 25 1.784 12.234 4.608 1.00 0.00 H ATOM 430 N GLU A 26 0.128 11.160 6.788 1.00 0.00 N ATOM 431 CA GLU A 26 0.040 11.166 8.243 1.00 0.00 C ATOM 432 C GLU A 26 -0.930 10.101 8.740 1.00 0.00 C ATOM 433 O GLU A 26 -0.689 9.457 9.761 1.00 0.00 O ATOM 434 CB GLU A 26 -0.398 12.543 8.746 1.00 0.00 C ATOM 435 CG GLU A 26 0.646 13.637 8.574 1.00 0.00 C ATOM 436 CD GLU A 26 1.934 13.334 9.289 1.00 0.00 C ATOM 437 OE1 GLU A 26 1.891 12.659 10.290 1.00 0.00 O ATOM 438 OE2 GLU A 26 2.961 13.777 8.833 1.00 0.00 O ATOM 439 H GLU A 26 -0.288 11.919 6.267 1.00 0.00 H ATOM 440 HA GLU A 26 1.029 10.955 8.650 1.00 0.00 H ATOM 441 1HB GLU A 26 -1.299 12.854 8.216 1.00 0.00 H ATOM 442 2HB GLU A 26 -0.647 12.481 9.805 1.00 0.00 H ATOM 443 1HG GLU A 26 0.855 13.762 7.512 1.00 0.00 H ATOM 444 2HG GLU A 26 0.240 14.575 8.949 1.00 0.00 H ATOM 445 N ASN A 27 -2.027 9.921 8.012 1.00 0.00 N ATOM 446 CA ASN A 27 -3.024 8.917 8.365 1.00 0.00 C ATOM 447 C ASN A 27 -2.471 7.508 8.191 1.00 0.00 C ATOM 448 O ASN A 27 -2.752 6.618 8.994 1.00 0.00 O ATOM 449 CB ASN A 27 -4.283 9.102 7.538 1.00 0.00 C ATOM 450 CG ASN A 27 -5.091 10.293 7.974 1.00 0.00 C ATOM 451 OD1 ASN A 27 -4.947 10.776 9.103 1.00 0.00 O ATOM 452 ND2 ASN A 27 -5.937 10.776 7.101 1.00 0.00 N ATOM 453 H ASN A 27 -2.174 10.495 7.194 1.00 0.00 H ATOM 454 HA ASN A 27 -3.302 9.058 9.410 1.00 0.00 H ATOM 455 1HB ASN A 27 -4.015 9.224 6.488 1.00 0.00 H ATOM 456 2HB ASN A 27 -4.904 8.209 7.616 1.00 0.00 H ATOM 457 1HD2 ASN A 27 -6.501 11.568 7.336 1.00 0.00 H ATOM 458 2HD2 ASN A 27 -6.020 10.354 6.199 1.00 0.00 H ATOM 459 N ALA A 28 -1.684 7.312 7.139 1.00 0.00 N ATOM 460 CA ALA A 28 -1.027 6.032 6.902 1.00 0.00 C ATOM 461 C ALA A 28 0.207 5.876 7.782 1.00 0.00 C ATOM 462 O ALA A 28 0.652 4.760 8.050 1.00 0.00 O ATOM 463 CB ALA A 28 -0.650 5.893 5.434 1.00 0.00 C ATOM 464 H ALA A 28 -1.538 8.068 6.486 1.00 0.00 H ATOM 465 HA ALA A 28 -1.729 5.233 7.140 1.00 0.00 H ATOM 466 1HB ALA A 28 -0.160 4.933 5.274 1.00 0.00 H ATOM 467 2HB ALA A 28 -1.550 5.949 4.821 1.00 0.00 H ATOM 468 3HB ALA A 28 0.028 6.698 5.156 1.00 0.00 H ATOM 469 N ASN A 29 0.755 7.000 8.229 1.00 0.00 N ATOM 470 CA ASN A 29 1.947 6.991 9.068 1.00 0.00 C ATOM 471 C ASN A 29 3.142 6.411 8.322 1.00 0.00 C ATOM 472 O ASN A 29 3.923 5.643 8.882 1.00 0.00 O ATOM 473 CB ASN A 29 1.692 6.218 10.350 1.00 0.00 C ATOM 474 CG ASN A 29 2.685 6.547 11.430 1.00 0.00 C ATOM 475 OD1 ASN A 29 3.198 7.670 11.498 1.00 0.00 O ATOM 476 ND2 ASN A 29 2.967 5.589 12.275 1.00 0.00 N ATOM 477 H ASN A 29 0.335 7.885 7.981 1.00 0.00 H ATOM 478 HA ASN A 29 2.197 8.021 9.327 1.00 0.00 H ATOM 479 1HB ASN A 29 0.689 6.440 10.715 1.00 0.00 H ATOM 480 2HB ASN A 29 1.737 5.149 10.145 1.00 0.00 H ATOM 481 1HD2 ASN A 29 3.621 5.751 13.015 1.00 0.00 H ATOM 482 2HD2 ASN A 29 2.528 4.695 12.182 1.00 0.00 H ATOM 483 N SER A 30 3.278 6.783 7.054 1.00 0.00 N ATOM 484 CA SER A 30 4.346 6.259 6.212 1.00 0.00 C ATOM 485 C SER A 30 5.436 7.300 5.992 1.00 0.00 C ATOM 486 O SER A 30 5.205 8.332 5.362 1.00 0.00 O ATOM 487 CB SER A 30 3.786 5.811 4.876 1.00 0.00 C ATOM 488 OG SER A 30 4.816 5.486 3.983 1.00 0.00 O ATOM 489 H SER A 30 2.624 7.447 6.663 1.00 0.00 H ATOM 490 HA SER A 30 4.792 5.400 6.713 1.00 0.00 H ATOM 491 1HB SER A 30 3.142 4.945 5.023 1.00 0.00 H ATOM 492 2HB SER A 30 3.173 6.606 4.453 1.00 0.00 H ATOM 493 HG SER A 30 4.667 4.572 3.728 1.00 0.00 H ATOM 494 N ASP A 31 6.626 7.024 6.516 1.00 0.00 N ATOM 495 CA ASP A 31 7.763 7.920 6.349 1.00 0.00 C ATOM 496 C ASP A 31 8.165 8.035 4.884 1.00 0.00 C ATOM 497 O ASP A 31 8.628 9.085 4.438 1.00 0.00 O ATOM 498 CB ASP A 31 8.956 7.432 7.175 1.00 0.00 C ATOM 499 CG ASP A 31 8.765 7.637 8.671 1.00 0.00 C ATOM 500 OD1 ASP A 31 7.882 8.374 9.042 1.00 0.00 O ATOM 501 OD2 ASP A 31 9.504 7.056 9.429 1.00 0.00 O ATOM 502 H ASP A 31 6.745 6.170 7.042 1.00 0.00 H ATOM 503 HA ASP A 31 7.481 8.909 6.713 1.00 0.00 H ATOM 504 1HB ASP A 31 9.120 6.371 6.986 1.00 0.00 H ATOM 505 2HB ASP A 31 9.857 7.962 6.862 1.00 0.00 H ATOM 506 N GLU A 32 7.984 6.950 4.140 1.00 0.00 N ATOM 507 CA GLU A 32 8.238 6.955 2.704 1.00 0.00 C ATOM 508 C GLU A 32 7.294 7.906 1.980 1.00 0.00 C ATOM 509 O GLU A 32 7.711 8.665 1.106 1.00 0.00 O ATOM 510 CB GLU A 32 8.094 5.543 2.132 1.00 0.00 C ATOM 511 CG GLU A 32 8.344 5.443 0.634 1.00 0.00 C ATOM 512 CD GLU A 32 9.772 5.730 0.259 1.00 0.00 C ATOM 513 OE1 GLU A 32 10.604 5.748 1.134 1.00 0.00 O ATOM 514 OE2 GLU A 32 10.031 5.931 -0.904 1.00 0.00 O ATOM 515 H GLU A 32 7.662 6.100 4.579 1.00 0.00 H ATOM 516 HA GLU A 32 9.264 7.285 2.536 1.00 0.00 H ATOM 517 1HB GLU A 32 8.793 4.874 2.634 1.00 0.00 H ATOM 518 2HB GLU A 32 7.087 5.172 2.328 1.00 0.00 H ATOM 519 1HG GLU A 32 8.088 4.438 0.300 1.00 0.00 H ATOM 520 2HG GLU A 32 7.690 6.145 0.119 1.00 0.00 H ATOM 521 N ALA A 33 6.018 7.860 2.350 1.00 0.00 N ATOM 522 CA ALA A 33 5.031 8.788 1.813 1.00 0.00 C ATOM 523 C ALA A 33 5.363 10.226 2.192 1.00 0.00 C ATOM 524 O ALA A 33 5.232 11.139 1.376 1.00 0.00 O ATOM 525 CB ALA A 33 3.637 8.421 2.301 1.00 0.00 C ATOM 526 H ALA A 33 5.725 7.163 3.020 1.00 0.00 H ATOM 527 HA ALA A 33 5.032 8.704 0.725 1.00 0.00 H ATOM 528 1HB ALA A 33 2.911 9.123 1.892 1.00 0.00 H ATOM 529 2HB ALA A 33 3.391 7.411 1.973 1.00 0.00 H ATOM 530 3HB ALA A 33 3.610 8.465 3.389 1.00 0.00 H ATOM 531 N ARG A 34 5.794 10.420 3.433 1.00 0.00 N ATOM 532 CA ARG A 34 6.172 11.744 3.914 1.00 0.00 C ATOM 533 C ARG A 34 7.315 12.324 3.091 1.00 0.00 C ATOM 534 O ARG A 34 7.275 13.486 2.688 1.00 0.00 O ATOM 535 CB ARG A 34 6.584 11.684 5.378 1.00 0.00 C ATOM 536 CG ARG A 34 5.441 11.464 6.356 1.00 0.00 C ATOM 537 CD ARG A 34 5.902 11.538 7.766 1.00 0.00 C ATOM 538 NE ARG A 34 4.801 11.395 8.704 1.00 0.00 N ATOM 539 CZ ARG A 34 4.512 10.264 9.378 1.00 0.00 C ATOM 540 NH1 ARG A 34 5.250 9.190 9.206 1.00 0.00 N ATOM 541 NH2 ARG A 34 3.486 10.235 10.211 1.00 0.00 N ATOM 542 H ARG A 34 5.862 9.631 4.060 1.00 0.00 H ATOM 543 HA ARG A 34 5.308 12.404 3.826 1.00 0.00 H ATOM 544 1HB ARG A 34 7.300 10.876 5.521 1.00 0.00 H ATOM 545 2HB ARG A 34 7.080 12.614 5.655 1.00 0.00 H ATOM 546 1HG ARG A 34 4.679 12.229 6.203 1.00 0.00 H ATOM 547 2HG ARG A 34 5.004 10.479 6.189 1.00 0.00 H ATOM 548 1HD ARG A 34 6.618 10.740 7.956 1.00 0.00 H ATOM 549 2HD ARG A 34 6.377 12.502 7.942 1.00 0.00 H ATOM 550 HE ARG A 34 4.210 12.201 8.863 1.00 0.00 H ATOM 551 1HH1 ARG A 34 6.033 9.212 8.569 1.00 0.00 H ATOM 552 2HH1 ARG A 34 5.033 8.343 9.711 1.00 0.00 H ATOM 553 1HH2 ARG A 34 2.919 11.061 10.344 1.00 0.00 H ATOM 554 2HH2 ARG A 34 3.270 9.389 10.716 1.00 0.00 H ATOM 555 N LYS A 35 8.334 11.507 2.846 1.00 0.00 N ATOM 556 CA LYS A 35 9.500 11.943 2.087 1.00 0.00 C ATOM 557 C LYS A 35 9.123 12.305 0.656 1.00 0.00 C ATOM 558 O LYS A 35 9.597 13.302 0.112 1.00 0.00 O ATOM 559 CB LYS A 35 10.577 10.858 2.089 1.00 0.00 C ATOM 560 CG LYS A 35 11.278 10.668 3.428 1.00 0.00 C ATOM 561 CD LYS A 35 12.293 9.537 3.365 1.00 0.00 C ATOM 562 CE LYS A 35 12.976 9.330 4.709 1.00 0.00 C ATOM 563 NZ LYS A 35 13.957 8.211 4.668 1.00 0.00 N ATOM 564 H LYS A 35 8.300 10.559 3.193 1.00 0.00 H ATOM 565 HA LYS A 35 9.918 12.826 2.573 1.00 0.00 H ATOM 566 1HB LYS A 35 10.132 9.903 1.806 1.00 0.00 H ATOM 567 2HB LYS A 35 11.337 11.098 1.345 1.00 0.00 H ATOM 568 1HG LYS A 35 11.791 11.590 3.704 1.00 0.00 H ATOM 569 2HG LYS A 35 10.539 10.440 4.195 1.00 0.00 H ATOM 570 1HD LYS A 35 11.791 8.612 3.076 1.00 0.00 H ATOM 571 2HD LYS A 35 13.050 9.768 2.615 1.00 0.00 H ATOM 572 1HE LYS A 35 13.496 10.242 4.996 1.00 0.00 H ATOM 573 2HE LYS A 35 12.226 9.111 5.468 1.00 0.00 H ATOM 574 1HZ LYS A 35 14.387 8.107 5.576 1.00 0.00 H ATOM 575 2HZ LYS A 35 13.481 7.355 4.420 1.00 0.00 H ATOM 576 3HZ LYS A 35 14.669 8.412 3.981 1.00 0.00 H ATOM 577 N TRP A 36 8.267 11.489 0.051 1.00 0.00 N ATOM 578 CA TRP A 36 7.779 11.753 -1.297 1.00 0.00 C ATOM 579 C TRP A 36 7.016 13.070 -1.359 1.00 0.00 C ATOM 580 O TRP A 36 7.223 13.876 -2.266 1.00 0.00 O ATOM 581 CB TRP A 36 6.875 10.613 -1.770 1.00 0.00 C ATOM 582 CG TRP A 36 6.217 10.879 -3.090 1.00 0.00 C ATOM 583 CD1 TRP A 36 4.890 11.093 -3.311 1.00 0.00 C ATOM 584 CD2 TRP A 36 6.858 10.962 -4.386 1.00 0.00 C ATOM 585 NE1 TRP A 36 4.660 11.301 -4.648 1.00 0.00 N ATOM 586 CE2 TRP A 36 5.853 11.227 -5.321 1.00 0.00 C ATOM 587 CE3 TRP A 36 8.183 10.837 -4.821 1.00 0.00 C ATOM 588 CZ2 TRP A 36 6.127 11.367 -6.672 1.00 0.00 C ATOM 589 CZ3 TRP A 36 8.458 10.978 -6.176 1.00 0.00 C ATOM 590 CH2 TRP A 36 7.456 11.237 -7.077 1.00 0.00 C ATOM 591 H TRP A 36 7.946 10.664 0.538 1.00 0.00 H ATOM 592 HA TRP A 36 8.636 11.813 -1.969 1.00 0.00 H ATOM 593 1HB TRP A 36 7.459 9.697 -1.857 1.00 0.00 H ATOM 594 2HB TRP A 36 6.096 10.435 -1.029 1.00 0.00 H ATOM 595 HD1 TRP A 36 4.123 11.098 -2.538 1.00 0.00 H ATOM 596 HE1 TRP A 36 3.760 11.480 -5.070 1.00 0.00 H ATOM 597 HE3 TRP A 36 8.983 10.634 -4.109 1.00 0.00 H ATOM 598 HZ2 TRP A 36 5.346 11.572 -7.404 1.00 0.00 H ATOM 599 HZ3 TRP A 36 9.492 10.878 -6.506 1.00 0.00 H ATOM 600 HH2 TRP A 36 7.707 11.343 -8.133 1.00 0.00 H ATOM 601 N TRP A 37 6.134 13.283 -0.388 1.00 0.00 N ATOM 602 CA TRP A 37 5.370 14.522 -0.306 1.00 0.00 C ATOM 603 C TRP A 37 6.291 15.732 -0.209 1.00 0.00 C ATOM 604 O TRP A 37 6.097 16.729 -0.905 1.00 0.00 O ATOM 605 CB TRP A 37 4.433 14.492 0.903 1.00 0.00 C ATOM 606 CG TRP A 37 3.625 15.743 1.065 1.00 0.00 C ATOM 607 CD1 TRP A 37 2.432 16.026 0.470 1.00 0.00 C ATOM 608 CD2 TRP A 37 3.948 16.894 1.884 1.00 0.00 C ATOM 609 NE1 TRP A 37 1.993 17.268 0.857 1.00 0.00 N ATOM 610 CE2 TRP A 37 2.907 17.812 1.724 1.00 0.00 C ATOM 611 CE3 TRP A 37 5.019 17.212 2.727 1.00 0.00 C ATOM 612 CZ2 TRP A 37 2.902 19.036 2.374 1.00 0.00 C ATOM 613 CZ3 TRP A 37 5.014 18.439 3.380 1.00 0.00 C ATOM 614 CH2 TRP A 37 3.982 19.326 3.208 1.00 0.00 C ATOM 615 H TRP A 37 5.989 12.568 0.310 1.00 0.00 H ATOM 616 HA TRP A 37 4.764 14.615 -1.208 1.00 0.00 H ATOM 617 1HB TRP A 37 3.747 13.650 0.810 1.00 0.00 H ATOM 618 2HB TRP A 37 5.016 14.340 1.811 1.00 0.00 H ATOM 619 HD1 TRP A 37 1.905 15.364 -0.214 1.00 0.00 H ATOM 620 HE1 TRP A 37 1.137 17.710 0.554 1.00 0.00 H ATOM 621 HE3 TRP A 37 5.840 16.509 2.869 1.00 0.00 H ATOM 622 HZ2 TRP A 37 2.092 19.755 2.250 1.00 0.00 H ATOM 623 HZ3 TRP A 37 5.853 18.679 4.034 1.00 0.00 H ATOM 624 HH2 TRP A 37 4.010 20.280 3.736 1.00 0.00 H ATOM 625 N GLU A 38 7.294 15.638 0.657 1.00 0.00 N ATOM 626 CA GLU A 38 8.248 16.724 0.846 1.00 0.00 C ATOM 627 C GLU A 38 9.065 16.965 -0.417 1.00 0.00 C ATOM 628 O GLU A 38 9.339 18.109 -0.782 1.00 0.00 O ATOM 629 CB GLU A 38 9.182 16.417 2.018 1.00 0.00 C ATOM 630 CG GLU A 38 10.196 17.511 2.318 1.00 0.00 C ATOM 631 CD GLU A 38 9.556 18.791 2.779 1.00 0.00 C ATOM 632 OE1 GLU A 38 8.491 18.731 3.346 1.00 0.00 O ATOM 633 OE2 GLU A 38 10.133 19.831 2.564 1.00 0.00 O ATOM 634 H GLU A 38 7.398 14.792 1.199 1.00 0.00 H ATOM 635 HA GLU A 38 7.694 17.633 1.083 1.00 0.00 H ATOM 636 1HB GLU A 38 8.591 16.251 2.920 1.00 0.00 H ATOM 637 2HB GLU A 38 9.731 15.498 1.814 1.00 0.00 H ATOM 638 1HG GLU A 38 10.876 17.159 3.093 1.00 0.00 H ATOM 639 2HG GLU A 38 10.781 17.706 1.420 1.00 0.00 H ATOM 640 N LYS A 39 9.452 15.881 -1.081 1.00 0.00 N ATOM 641 CA LYS A 39 10.169 15.974 -2.347 1.00 0.00 C ATOM 642 C LYS A 39 9.400 16.819 -3.355 1.00 0.00 C ATOM 643 O LYS A 39 9.968 17.697 -4.005 1.00 0.00 O ATOM 644 CB LYS A 39 10.428 14.579 -2.919 1.00 0.00 C ATOM 645 CG LYS A 39 11.195 14.572 -4.235 1.00 0.00 C ATOM 646 CD LYS A 39 11.480 13.152 -4.700 1.00 0.00 C ATOM 647 CE LYS A 39 12.216 13.142 -6.032 1.00 0.00 C ATOM 648 NZ LYS A 39 12.548 11.760 -6.474 1.00 0.00 N ATOM 649 H LYS A 39 9.244 14.970 -0.699 1.00 0.00 H ATOM 650 HA LYS A 39 11.136 16.443 -2.164 1.00 0.00 H ATOM 651 1HB LYS A 39 10.995 13.990 -2.198 1.00 0.00 H ATOM 652 2HB LYS A 39 9.478 14.071 -3.083 1.00 0.00 H ATOM 653 1HG LYS A 39 10.611 15.085 -5.000 1.00 0.00 H ATOM 654 2HG LYS A 39 12.139 15.100 -4.109 1.00 0.00 H ATOM 655 1HD LYS A 39 12.089 12.639 -3.954 1.00 0.00 H ATOM 656 2HD LYS A 39 10.541 12.610 -4.811 1.00 0.00 H ATOM 657 1HE LYS A 39 11.596 13.615 -6.793 1.00 0.00 H ATOM 658 2HE LYS A 39 13.140 13.712 -5.942 1.00 0.00 H ATOM 659 1HZ LYS A 39 13.034 11.797 -7.359 1.00 0.00 H ATOM 660 2HZ LYS A 39 13.138 11.318 -5.784 1.00 0.00 H ATOM 661 3HZ LYS A 39 11.697 11.227 -6.581 1.00 0.00 H ATOM 662 N LEU A 40 8.105 16.549 -3.481 1.00 0.00 N ATOM 663 CA LEU A 40 7.255 17.287 -4.406 1.00 0.00 C ATOM 664 C LEU A 40 7.148 18.753 -4.006 1.00 0.00 C ATOM 665 O LEU A 40 7.039 19.633 -4.860 1.00 0.00 O ATOM 666 CB LEU A 40 5.856 16.661 -4.455 1.00 0.00 C ATOM 667 CG LEU A 40 5.771 15.272 -5.100 1.00 0.00 C ATOM 668 CD1 LEU A 40 4.353 14.733 -4.961 1.00 0.00 C ATOM 669 CD2 LEU A 40 6.179 15.365 -6.563 1.00 0.00 C ATOM 670 H LEU A 40 7.700 15.813 -2.920 1.00 0.00 H ATOM 671 HA LEU A 40 7.694 17.228 -5.403 1.00 0.00 H ATOM 672 1HB LEU A 40 5.477 16.578 -3.438 1.00 0.00 H ATOM 673 2HB LEU A 40 5.196 17.326 -5.012 1.00 0.00 H ATOM 674 HG LEU A 40 6.440 14.587 -4.579 1.00 0.00 H ATOM 675 1HD1 LEU A 40 4.293 13.746 -5.420 1.00 0.00 H ATOM 676 2HD1 LEU A 40 4.094 14.658 -3.905 1.00 0.00 H ATOM 677 3HD1 LEU A 40 3.657 15.407 -5.459 1.00 0.00 H ATOM 678 1HD2 LEU A 40 6.120 14.378 -7.021 1.00 0.00 H ATOM 679 2HD2 LEU A 40 5.509 16.049 -7.085 1.00 0.00 H ATOM 680 3HD2 LEU A 40 7.202 15.736 -6.632 1.00 0.00 H ATOM 681 N GLU A 41 7.180 19.010 -2.703 1.00 0.00 N ATOM 682 CA GLU A 41 7.168 20.374 -2.190 1.00 0.00 C ATOM 683 C GLU A 41 8.466 21.099 -2.521 1.00 0.00 C ATOM 684 O GLU A 41 8.472 22.307 -2.754 1.00 0.00 O ATOM 685 CB GLU A 41 6.946 20.373 -0.675 1.00 0.00 C ATOM 686 CG GLU A 41 5.557 19.925 -0.244 1.00 0.00 C ATOM 687 CD GLU A 41 4.465 20.812 -0.774 1.00 0.00 C ATOM 688 OE1 GLU A 41 4.655 22.004 -0.800 1.00 0.00 O ATOM 689 OE2 GLU A 41 3.440 20.297 -1.154 1.00 0.00 O ATOM 690 H GLU A 41 7.214 18.239 -2.051 1.00 0.00 H ATOM 691 HA GLU A 41 6.340 20.911 -2.653 1.00 0.00 H ATOM 692 1HB GLU A 41 7.672 19.713 -0.202 1.00 0.00 H ATOM 693 2HB GLU A 41 7.110 21.376 -0.283 1.00 0.00 H ATOM 694 1HG GLU A 41 5.387 18.908 -0.600 1.00 0.00 H ATOM 695 2HG GLU A 41 5.512 19.912 0.844 1.00 0.00 H ATOM 696 N GLN A 42 9.566 20.353 -2.540 1.00 0.00 N ATOM 697 CA GLN A 42 10.867 20.915 -2.883 1.00 0.00 C ATOM 698 C GLN A 42 10.996 21.129 -4.386 1.00 0.00 C ATOM 699 O GLN A 42 11.640 22.077 -4.835 1.00 0.00 O ATOM 700 CB GLN A 42 11.992 20.003 -2.387 1.00 0.00 C ATOM 701 CG GLN A 42 12.107 19.923 -0.874 1.00 0.00 C ATOM 702 CD GLN A 42 12.425 21.267 -0.246 1.00 0.00 C ATOM 703 OE1 GLN A 42 13.199 22.056 -0.794 1.00 0.00 O ATOM 704 NE2 GLN A 42 11.829 21.534 0.910 1.00 0.00 N ATOM 705 H GLN A 42 9.499 19.372 -2.311 1.00 0.00 H ATOM 706 HA GLN A 42 10.971 21.879 -2.383 1.00 0.00 H ATOM 707 1HB GLN A 42 11.837 18.994 -2.766 1.00 0.00 H ATOM 708 2HB GLN A 42 12.946 20.357 -2.778 1.00 0.00 H ATOM 709 1HG GLN A 42 11.159 19.571 -0.466 1.00 0.00 H ATOM 710 2HG GLN A 42 12.906 19.228 -0.617 1.00 0.00 H ATOM 711 1HE2 GLN A 42 12.000 22.406 1.372 1.00 0.00 H ATOM 712 2HE2 GLN A 42 11.208 20.866 1.320 1.00 0.00 H ATOM 713 N LEU A 43 10.379 20.242 -5.160 1.00 0.00 N ATOM 714 CA LEU A 43 10.389 20.356 -6.613 1.00 0.00 C ATOM 715 C LEU A 43 9.520 21.516 -7.081 1.00 0.00 C ATOM 716 O LEU A 43 8.534 21.867 -6.433 1.00 0.00 O ATOM 717 OXT LEU A 43 9.794 22.100 -8.093 1.00 0.00 O ATOM 718 CB LEU A 43 9.896 19.050 -7.250 1.00 0.00 C ATOM 719 CG LEU A 43 10.816 17.835 -7.074 1.00 0.00 C ATOM 720 CD1 LEU A 43 10.109 16.585 -7.580 1.00 0.00 C ATOM 721 CD2 LEU A 43 12.117 18.070 -7.826 1.00 0.00 C ATOM 722 H LEU A 43 9.890 19.470 -4.730 1.00 0.00 H ATOM 723 HA LEU A 43 11.411 20.552 -6.938 1.00 0.00 H ATOM 724 1HB LEU A 43 8.928 18.798 -6.820 1.00 0.00 H ATOM 725 2HB LEU A 43 9.764 19.213 -8.319 1.00 0.00 H ATOM 726 HG LEU A 43 11.030 17.691 -6.015 1.00 0.00 H ATOM 727 1HD1 LEU A 43 10.763 15.722 -7.455 1.00 0.00 H ATOM 728 2HD1 LEU A 43 9.192 16.430 -7.012 1.00 0.00 H ATOM 729 3HD1 LEU A 43 9.867 16.706 -8.635 1.00 0.00 H ATOM 730 1HD2 LEU A 43 12.771 17.207 -7.700 1.00 0.00 H ATOM 731 2HD2 LEU A 43 11.904 18.213 -8.886 1.00 0.00 H ATOM 732 3HD2 LEU A 43 12.610 18.959 -7.432 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE nods_bigger.blueprint.33_try62_pass_20150322200845_0001_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 rama omega fa_dun p_aa_pp ref total weights 0.8 0.44 0.75 0.004 0.7 1 1.17 1.17 1.17 1.1 1 0.2 0.5 0.56 0.32 1 NA pose -179.442 15.1948 107.954 0.30741 -26.1461 0 -25.8371 -1.13846 -1.8712 -9.25989 0 -5.92449 1.71075 52.6246 -4.44253 -15.0057 -91.2759 SER:NtermProteinFull_1 -2.40131 0.15688 2.31978 0.00165 -0.61247 0 0 0 -0.24693 0 0 0 0.03138 0.12771 0 0.17658 -0.44671 ASP_2 -3.11844 0.21316 2.33333 0.00339 -0.75027 0 0 0 0 -0.27942 0 -0.15882 0.01689 1.38882 0.01612 -1.28682 -1.62207 GLU_3 -3.26813 0.34226 2.59175 0.00514 -0.96428 0 0 0 0 -0.3425 0 -0.2361 0.18365 2.51525 -0.12887 -1.55374 -0.85557 GLU_4 -4.26912 0.31461 3.37712 0.00799 -1.21768 0 0 0 -0.24693 -0.50141 0 -0.13304 0.00671 2.26177 -0.10569 -1.55374 -2.0594 LEU_5 -4.95844 0.42027 2.07412 0.00627 -0.26306 0 0 0 0 0 0 -0.07583 0.0008 0.37878 -0.11993 0.60233 -1.93468 LYS_6 -6.61989 0.59139 4.16355 0.00464 -1.93956 0 0 0 0 -0.91155 0 -0.21564 0.04644 1.80157 -0.04384 -0.28737 -3.41028 LYS_7 -3.30416 0.23681 1.98958 0.00308 -0.20571 0 0 0 0 0 0 -0.19926 0.01828 0.82364 -0.04657 -0.28737 -0.97168 ARG_8 -4.53285 0.34638 2.67208 0.00955 -0.94914 0 0 0 0 -0.50141 0 -0.20145 0.07639 1.60106 -0.08765 -0.14916 -1.7162 ILE_9 -6.51747 0.95223 2.36247 0.02207 -0.27265 0 0 0 0 0 0 0.04062 0.00032 0.29948 -0.10229 0.8318 -2.38342 GLU_10 -5.0424 0.4061 3.25603 0.00712 -1.04662 0 0 0 0 -0.44939 0 -0.07879 0.00022 2.15929 -0.08801 -1.55374 -2.4302 GLU_11 -4.33092 0.34243 2.93362 0.01 -1.09964 0 0 0 0 -0.31312 0 -0.13629 0.0185 2.65506 -0.10454 -1.55374 -1.57863 LEU_12 -5.7249 0.39458 2.66906 0.00672 -0.40405 0 0 0 0 0 0 -0.11211 0.02181 0.27288 -0.12133 0.60233 -2.395 VAL_13 -4.23358 0.39244 1.68222 0.01746 -0.11988 0 0 0 0 0 0 -0.05699 0.09502 0.13377 0.01977 0.74484 -1.32492 ARG_14 -3.16716 0.27166 2.16607 0.00957 -0.85816 0 0 0 0 -0.44939 0 -0.22257 0.05397 1.58913 -0.08367 -0.14916 -0.8397 ARG_15 -3.45585 0.22693 2.37802 0.00785 -0.71187 0 0 0 0 -0.31312 0 -0.22158 0.00191 1.32051 -0.10649 -0.14916 -1.02286 GLY_16 -1.8038 0.33767 1.15046 2e-05 -0.25344 0 0 0 0 0 0 0.00825 0.03284 0 -0.82745 0.14053 -1.21492 ASN_17 -3.62038 0.24178 2.06601 0.00485 -0.13369 0 0 0 0 0 0 -0.01897 0.11502 1.79004 -0.31255 -0.94198 -0.80986 LYS_18 -3.84626 0.3727 2.589 0.00315 -0.63506 0 0 0 0 0 0 -0.22855 9e-05 0.80635 -0.02935 -0.28737 -1.25531 ASP_19 -2.47851 0.2249 1.612 0.00334 -0.12977 0 0 0 0 0 0 -0.15226 0.0025 1.29717 0.02314 -1.28682 -0.88431 GLU_20 -4.00457 0.3213 2.53583 0.00515 -0.94727 0 0 0 0 -0.34183 0 -0.24622 0.15056 2.4054 -0.16803 -1.55374 -1.84341 ALA_21 -4.46934 0.49404 1.83023 0.00074 -0.12892 0 0 0 0 0 0 -0.18979 0.13958 0 -0.18941 0.59294 -1.91992 ARG_22 -5.81164 0.40626 3.35971 0.01631 -0.93716 0 0 0 0 -0.5709 0 -0.1768 0.03855 2.5443 -0.07901 -0.14916 -1.35953 LYS_23 -4.6113 0.4369 3.2505 0.00313 -1.20975 0 0 0 0 -0.34183 0 -0.17441 0.05102 0.87981 -0.04954 -0.28737 -2.05286 LEU_24 -4.3248 0.49482 1.78093 0.00907 -0.26763 0 0 0 0 0 0 -0.00091 0.00022 0.30104 -0.0967 0.60233 -1.50163 ALA_25 -4.08715 0.17178 2.07924 0.00074 -0.24781 0 0 0 0 0 0 -0.17774 0.01947 0 -0.19328 0.59294 -1.84181 GLU_26 -4.70149 0.30131 3.75857 0.00668 -1.94266 0 0 0 0 -1.18937 0 -0.2141 0.00608 2.49308 -0.1702 -1.55374 -3.20584 ASN_27 -2.51081 0.2099 1.70919 0.00364 -0.13049 0 0 0 0 0 0 -0.0027 0.06806 1.05894 0.11711 -0.94198 -0.41915 ALA_28 -2.2545 0.31767 1.02766 0.00079 -0.05348 0 0 0 0 0 0 -0.22391 0.00221 0 -0.02429 0.59294 -0.61491 ASN_29 -2.50927 0.26975 2.11764 0.00723 -0.48054 0 0 0 0 -0.34644 0 -0.28322 0.03221 1.56528 -0.52852 -0.94198 -1.09786 SER_30 -3.96153 0.39282 3.07769 0.00213 -1.12331 0 0 0 -0.68867 -0.27942 0 0.13384 0.01243 0.32057 0.25397 0.17658 -1.68289 ASP_31 -2.98564 0.19891 2.22637 0.00342 -0.76015 0 0 0 0 -0.11768 0 -0.16708 0.09784 1.28945 0.005 -1.28682 -1.49639 GLU_32 -3.5624 0.26208 2.6051 0.00989 -0.90671 0 0 0 0 -0.56905 0 -0.19907 0.11957 2.55553 -0.11152 -1.55374 -1.35033 ALA_33 -3.94165 0.34622 1.71506 0.00073 -0.28248 0 0 0 -0.68867 0 0 -0.17183 0.00821 0 -0.18072 0.59294 -2.6022 ARG_34 -6.87859 0.41588 5.48238 0.01179 -2.24633 0 0 0 0 -1.08259 0 -0.11745 0.00416 1.93942 -0.08507 -0.14916 -2.70556 LYS_35 -3.19941 0.24604 1.93069 0.00308 -0.33345 0 0 0 0 0 0 -0.19709 0.03742 0.82335 -0.04612 -0.28737 -1.02287 TRP_36 -7.47286 0.68487 3.56524 0.02476 -0.15096 0 0 0 0 0 0 -0.10347 0.02095 1.67943 -0.02248 0.92933 -0.8452 TRP_37 -8.45183 0.45852 4.22625 0.02538 -0.47378 0 0 0 0 0 0 -0.09319 1e-05 1.19035 -0.04292 0.92933 -2.23189 GLU_38 -4.45839 0.38812 2.85203 0.0085 -0.78182 0 0 0 0 -0.17974 0 -0.23676 0.07079 2.54618 -0.12559 -1.55374 -1.47044 LYS_39 -4.14761 0.46108 2.15655 0.00542 -0.25979 0 0 0 0 0 0 -0.09213 0.00029 0.80092 -0.04 -0.28737 -1.40264 LEU_40 -4.97234 0.36959 1.84754 0.00748 0.11197 0 0 0 0 0 0 -0.13503 0.07091 0.12834 -0.11445 0.60233 -2.08367 GLU_41 -4.30388 0.39888 3.13354 0.00546 -0.23346 0 0 0 0 0 0 -0.2639 0.01854 2.34809 -0.15747 -1.55374 -0.60794 GLN_42 -2.60218 0.18268 1.83303 0.00543 -0.21378 0 0 0 0 -0.17974 0 -0.19214 0.01893 2.00402 -0.14409 -1.17797 -0.46581 LEU:CtermProteinFull_43 -2.5254 0.18014 1.46699 0.0066 0.42064 0 0 0 0 0 0 0 0 0.52882 0 0.60233 0.68011 #END_POSE_ENERGIES_TABLE nods_bigger.blueprint.33_try62_pass_20150322200845_0001_0001.pdb AlaCount 4 bb -0.0264697 buried_minus_exposed 3669.01 buried_np 5181.5 buried_over_exposed 3.42577 cavity_volume 0 contact_all 264 contact_core_SASA 264 contact_core_SCN 264 degree 10.0698 degree_core_SASA 10.0698 degree_core_SCN 10.0698 exposed_hydrophobics 1512.5 holes 0.670457 mismatch_probability 0.104809 one_core_each 1 pack 0.582507 percent_core_SASA 0.0697512 percent_core_SCN 0.209254 res_count_core_SASA 3 res_count_core_SCN 9 ss_sc 0.766495 two_core_each 0.666667 unsat_hbond 4
HHH_rd1_0056.pdb
ATOM 1 N PRO A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA PRO A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C PRO A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O PRO A 1 2.836 1.775 -0.839 1.00 0.00 O ATOM 5 CB PRO A 1 1.803 -0.740 -1.297 1.00 0.00 C ATOM 6 CG PRO A 1 0.695 -0.381 -2.228 1.00 0.00 C ATOM 7 CD PRO A 1 -0.532 -0.350 -1.355 1.00 0.00 C ATOM 8 1H PRO A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 9 2H PRO A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 10 HA PRO A 1 1.820 -0.555 0.878 1.00 0.00 H ATOM 11 1HB PRO A 1 2.789 -0.418 -1.663 1.00 0.00 H ATOM 12 2HB PRO A 1 1.867 -1.821 -1.107 1.00 0.00 H ATOM 13 1HG PRO A 1 0.900 0.588 -2.706 1.00 0.00 H ATOM 14 2HG PRO A 1 0.622 -1.124 -3.035 1.00 0.00 H ATOM 15 1HD PRO A 1 -1.224 0.423 -1.723 1.00 0.00 H ATOM 16 2HD PRO A 1 -1.014 -1.338 -1.364 1.00 0.00 H ATOM 17 N GLU A 2 1.545 2.229 0.946 1.00 0.00 N ATOM 18 CA GLU A 2 1.934 3.633 1.013 1.00 0.00 C ATOM 19 C GLU A 2 3.442 3.780 1.168 1.00 0.00 C ATOM 20 O GLU A 2 4.081 4.532 0.432 1.00 0.00 O ATOM 21 CB GLU A 2 1.222 4.330 2.174 1.00 0.00 C ATOM 22 CG GLU A 2 1.577 5.800 2.338 1.00 0.00 C ATOM 23 CD GLU A 2 0.889 6.441 3.511 1.00 0.00 C ATOM 24 OE1 GLU A 2 -0.048 5.868 4.012 1.00 0.00 O ATOM 25 OE2 GLU A 2 1.301 7.506 3.907 1.00 0.00 O ATOM 26 H GLU A 2 0.906 1.863 1.637 1.00 0.00 H ATOM 27 HA GLU A 2 1.629 4.121 0.086 1.00 0.00 H ATOM 28 1HB GLU A 2 0.143 4.260 2.034 1.00 0.00 H ATOM 29 2HB GLU A 2 1.464 3.821 3.107 1.00 0.00 H ATOM 30 1HG GLU A 2 2.655 5.890 2.471 1.00 0.00 H ATOM 31 2HG GLU A 2 1.305 6.333 1.428 1.00 0.00 H ATOM 32 N GLU A 3 4.006 3.057 2.130 1.00 0.00 N ATOM 33 CA GLU A 3 5.435 3.134 2.409 1.00 0.00 C ATOM 34 C GLU A 3 6.256 2.723 1.194 1.00 0.00 C ATOM 35 O GLU A 3 7.270 3.346 0.878 1.00 0.00 O ATOM 36 CB GLU A 3 5.794 2.247 3.603 1.00 0.00 C ATOM 37 CG GLU A 3 7.280 2.207 3.932 1.00 0.00 C ATOM 38 CD GLU A 3 7.812 3.534 4.397 1.00 0.00 C ATOM 39 OE1 GLU A 3 7.032 4.346 4.834 1.00 0.00 O ATOM 40 OE2 GLU A 3 9.000 3.737 4.314 1.00 0.00 O ATOM 41 H GLU A 3 3.430 2.438 2.682 1.00 0.00 H ATOM 42 HA GLU A 3 5.682 4.165 2.665 1.00 0.00 H ATOM 43 1HB GLU A 3 5.264 2.598 4.489 1.00 0.00 H ATOM 44 2HB GLU A 3 5.467 1.226 3.409 1.00 0.00 H ATOM 45 1HG GLU A 3 7.448 1.468 4.714 1.00 0.00 H ATOM 46 2HG GLU A 3 7.829 1.891 3.047 1.00 0.00 H ATOM 47 N ASP A 4 5.813 1.671 0.515 1.00 0.00 N ATOM 48 CA ASP A 4 6.494 1.188 -0.681 1.00 0.00 C ATOM 49 C ASP A 4 6.495 2.245 -1.779 1.00 0.00 C ATOM 50 O ASP A 4 7.495 2.433 -2.471 1.00 0.00 O ATOM 51 CB ASP A 4 5.830 -0.091 -1.197 1.00 0.00 C ATOM 52 CG ASP A 4 6.096 -1.297 -0.306 1.00 0.00 C ATOM 53 OD1 ASP A 4 6.999 -1.232 0.494 1.00 0.00 O ATOM 54 OD2 ASP A 4 5.393 -2.271 -0.434 1.00 0.00 O ATOM 55 H ASP A 4 4.984 1.192 0.835 1.00 0.00 H ATOM 56 HA ASP A 4 7.527 0.954 -0.421 1.00 0.00 H ATOM 57 1HB ASP A 4 4.753 0.061 -1.267 1.00 0.00 H ATOM 58 2HB ASP A 4 6.196 -0.311 -2.201 1.00 0.00 H ATOM 59 N LEU A 5 5.368 2.933 -1.932 1.00 0.00 N ATOM 60 CA LEU A 5 5.239 3.977 -2.941 1.00 0.00 C ATOM 61 C LEU A 5 6.104 5.183 -2.598 1.00 0.00 C ATOM 62 O LEU A 5 6.692 5.809 -3.481 1.00 0.00 O ATOM 63 CB LEU A 5 3.774 4.412 -3.070 1.00 0.00 C ATOM 64 CG LEU A 5 2.824 3.375 -3.683 1.00 0.00 C ATOM 65 CD1 LEU A 5 1.388 3.864 -3.558 1.00 0.00 C ATOM 66 CD2 LEU A 5 3.198 3.143 -5.140 1.00 0.00 C ATOM 67 H LEU A 5 4.581 2.726 -1.334 1.00 0.00 H ATOM 68 HA LEU A 5 5.565 3.574 -3.900 1.00 0.00 H ATOM 69 1HB LEU A 5 3.397 4.660 -2.079 1.00 0.00 H ATOM 70 2HB LEU A 5 3.730 5.308 -3.688 1.00 0.00 H ATOM 71 HG LEU A 5 2.906 2.436 -3.134 1.00 0.00 H ATOM 72 1HD1 LEU A 5 0.713 3.127 -3.994 1.00 0.00 H ATOM 73 2HD1 LEU A 5 1.141 4.002 -2.505 1.00 0.00 H ATOM 74 3HD1 LEU A 5 1.279 4.811 -4.084 1.00 0.00 H ATOM 75 1HD2 LEU A 5 2.523 2.406 -5.576 1.00 0.00 H ATOM 76 2HD2 LEU A 5 3.115 4.081 -5.690 1.00 0.00 H ATOM 77 3HD2 LEU A 5 4.223 2.777 -5.199 1.00 0.00 H ATOM 78 N ARG A 6 6.179 5.505 -1.311 1.00 0.00 N ATOM 79 CA ARG A 6 7.065 6.561 -0.836 1.00 0.00 C ATOM 80 C ARG A 6 8.522 6.237 -1.140 1.00 0.00 C ATOM 81 O ARG A 6 9.285 7.105 -1.565 1.00 0.00 O ATOM 82 CB ARG A 6 6.897 6.767 0.662 1.00 0.00 C ATOM 83 CG ARG A 6 5.601 7.447 1.073 1.00 0.00 C ATOM 84 CD ARG A 6 5.488 7.569 2.549 1.00 0.00 C ATOM 85 NE ARG A 6 4.228 8.174 2.949 1.00 0.00 N ATOM 86 CZ ARG A 6 4.022 9.500 3.078 1.00 0.00 C ATOM 87 NH1 ARG A 6 5.001 10.343 2.835 1.00 0.00 N ATOM 88 NH2 ARG A 6 2.836 9.952 3.448 1.00 0.00 N ATOM 89 H ARG A 6 5.608 5.005 -0.645 1.00 0.00 H ATOM 90 HA ARG A 6 6.800 7.490 -1.343 1.00 0.00 H ATOM 91 1HB ARG A 6 6.938 5.804 1.169 1.00 0.00 H ATOM 92 2HB ARG A 6 7.721 7.371 1.042 1.00 0.00 H ATOM 93 1HG ARG A 6 5.563 8.448 0.642 1.00 0.00 H ATOM 94 2HG ARG A 6 4.753 6.864 0.711 1.00 0.00 H ATOM 95 1HD ARG A 6 5.550 6.580 3.002 1.00 0.00 H ATOM 96 2HD ARG A 6 6.299 8.192 2.926 1.00 0.00 H ATOM 97 HE ARG A 6 3.451 7.557 3.144 1.00 0.00 H ATOM 98 1HH1 ARG A 6 5.907 9.998 2.553 1.00 0.00 H ATOM 99 2HH1 ARG A 6 4.847 11.336 2.932 1.00 0.00 H ATOM 100 1HH2 ARG A 6 2.084 9.303 3.634 1.00 0.00 H ATOM 101 2HH2 ARG A 6 2.682 10.944 3.544 1.00 0.00 H ATOM 102 N ARG A 7 8.902 4.983 -0.921 1.00 0.00 N ATOM 103 CA ARG A 7 10.261 4.534 -1.200 1.00 0.00 C ATOM 104 C ARG A 7 10.517 4.454 -2.700 1.00 0.00 C ATOM 105 O ARG A 7 11.638 4.673 -3.160 1.00 0.00 O ATOM 106 CB ARG A 7 10.515 3.172 -0.571 1.00 0.00 C ATOM 107 CG ARG A 7 10.558 3.168 0.949 1.00 0.00 C ATOM 108 CD ARG A 7 10.778 1.801 1.488 1.00 0.00 C ATOM 109 NE ARG A 7 10.707 1.773 2.940 1.00 0.00 N ATOM 110 CZ ARG A 7 11.077 0.727 3.704 1.00 0.00 C ATOM 111 NH1 ARG A 7 11.539 -0.367 3.140 1.00 0.00 N ATOM 112 NH2 ARG A 7 10.974 0.800 5.019 1.00 0.00 N ATOM 113 H ARG A 7 8.232 4.323 -0.552 1.00 0.00 H ATOM 114 HA ARG A 7 10.958 5.251 -0.764 1.00 0.00 H ATOM 115 1HB ARG A 7 9.735 2.478 -0.881 1.00 0.00 H ATOM 116 2HB ARG A 7 11.466 2.778 -0.930 1.00 0.00 H ATOM 117 1HG ARG A 7 11.372 3.807 1.291 1.00 0.00 H ATOM 118 2HG ARG A 7 9.612 3.543 1.341 1.00 0.00 H ATOM 119 1HD ARG A 7 10.015 1.129 1.096 1.00 0.00 H ATOM 120 2HD ARG A 7 11.763 1.446 1.187 1.00 0.00 H ATOM 121 HE ARG A 7 10.357 2.598 3.409 1.00 0.00 H ATOM 122 1HH1 ARG A 7 11.617 -0.423 2.135 1.00 0.00 H ATOM 123 2HH1 ARG A 7 11.816 -1.152 3.713 1.00 0.00 H ATOM 124 1HH2 ARG A 7 10.618 1.642 5.452 1.00 0.00 H ATOM 125 2HH2 ARG A 7 11.251 0.016 5.591 1.00 0.00 H ATOM 126 N LYS A 8 9.473 4.137 -3.457 1.00 0.00 N ATOM 127 CA LYS A 8 9.563 4.108 -4.912 1.00 0.00 C ATOM 128 C LYS A 8 9.903 5.483 -5.471 1.00 0.00 C ATOM 129 O LYS A 8 10.752 5.613 -6.353 1.00 0.00 O ATOM 130 CB LYS A 8 8.253 3.602 -5.520 1.00 0.00 C ATOM 131 CG LYS A 8 8.277 3.459 -7.036 1.00 0.00 C ATOM 132 CD LYS A 8 6.996 2.819 -7.550 1.00 0.00 C ATOM 133 CE LYS A 8 7.041 2.624 -9.059 1.00 0.00 C ATOM 134 NZ LYS A 8 5.816 1.952 -9.570 1.00 0.00 N ATOM 135 H LYS A 8 8.594 3.911 -3.014 1.00 0.00 H ATOM 136 HA LYS A 8 10.351 3.410 -5.196 1.00 0.00 H ATOM 137 1HB LYS A 8 8.007 2.629 -5.095 1.00 0.00 H ATOM 138 2HB LYS A 8 7.444 4.286 -5.261 1.00 0.00 H ATOM 139 1HG LYS A 8 8.391 4.443 -7.493 1.00 0.00 H ATOM 140 2HG LYS A 8 9.125 2.841 -7.329 1.00 0.00 H ATOM 141 1HD LYS A 8 6.855 1.850 -7.071 1.00 0.00 H ATOM 142 2HD LYS A 8 6.146 3.455 -7.301 1.00 0.00 H ATOM 143 1HE LYS A 8 7.140 3.592 -9.548 1.00 0.00 H ATOM 144 2HE LYS A 8 7.908 2.019 -9.322 1.00 0.00 H ATOM 145 1HZ LYS A 8 5.885 1.841 -10.572 1.00 0.00 H ATOM 146 2HZ LYS A 8 5.724 1.044 -9.137 1.00 0.00 H ATOM 147 3HZ LYS A 8 5.006 2.514 -9.349 1.00 0.00 H ATOM 148 N VAL A 9 9.235 6.509 -4.953 1.00 0.00 N ATOM 149 CA VAL A 9 9.540 7.886 -5.321 1.00 0.00 C ATOM 150 C VAL A 9 10.999 8.221 -5.038 1.00 0.00 C ATOM 151 O VAL A 9 11.703 8.746 -5.901 1.00 0.00 O ATOM 152 CB VAL A 9 8.633 8.860 -4.545 1.00 0.00 C ATOM 153 CG1 VAL A 9 9.107 10.293 -4.733 1.00 0.00 C ATOM 154 CG2 VAL A 9 7.192 8.703 -5.006 1.00 0.00 C ATOM 155 H VAL A 9 8.497 6.329 -4.287 1.00 0.00 H ATOM 156 HA VAL A 9 9.354 8.009 -6.388 1.00 0.00 H ATOM 157 HB VAL A 9 8.701 8.635 -3.481 1.00 0.00 H ATOM 158 1HG1 VAL A 9 8.455 10.968 -4.178 1.00 0.00 H ATOM 159 2HG1 VAL A 9 10.128 10.390 -4.363 1.00 0.00 H ATOM 160 3HG1 VAL A 9 9.077 10.551 -5.791 1.00 0.00 H ATOM 161 1HG2 VAL A 9 6.556 9.394 -4.453 1.00 0.00 H ATOM 162 2HG2 VAL A 9 7.125 8.922 -6.072 1.00 0.00 H ATOM 163 3HG2 VAL A 9 6.861 7.681 -4.824 1.00 0.00 H ATOM 164 N GLU A 10 11.447 7.915 -3.826 1.00 0.00 N ATOM 165 CA GLU A 10 12.832 8.154 -3.438 1.00 0.00 C ATOM 166 C GLU A 10 13.797 7.437 -4.373 1.00 0.00 C ATOM 167 O GLU A 10 14.761 8.029 -4.859 1.00 0.00 O ATOM 168 CB GLU A 10 13.069 7.696 -1.997 1.00 0.00 C ATOM 169 CG GLU A 10 14.488 7.916 -1.492 1.00 0.00 C ATOM 170 CD GLU A 10 14.702 7.390 -0.101 1.00 0.00 C ATOM 171 OE1 GLU A 10 13.781 7.432 0.679 1.00 0.00 O ATOM 172 OE2 GLU A 10 15.789 6.945 0.184 1.00 0.00 O ATOM 173 H GLU A 10 10.812 7.507 -3.155 1.00 0.00 H ATOM 174 HA GLU A 10 13.026 9.226 -3.489 1.00 0.00 H ATOM 175 1HB GLU A 10 12.390 8.228 -1.330 1.00 0.00 H ATOM 176 2HB GLU A 10 12.845 6.632 -1.911 1.00 0.00 H ATOM 177 1HG GLU A 10 15.184 7.419 -2.168 1.00 0.00 H ATOM 178 2HG GLU A 10 14.707 8.983 -1.510 1.00 0.00 H ATOM 179 N GLU A 11 13.533 6.159 -4.623 1.00 0.00 N ATOM 180 CA GLU A 11 14.380 5.358 -5.498 1.00 0.00 C ATOM 181 C GLU A 11 14.512 5.999 -6.874 1.00 0.00 C ATOM 182 O GLU A 11 15.616 6.131 -7.404 1.00 0.00 O ATOM 183 CB GLU A 11 13.815 3.942 -5.637 1.00 0.00 C ATOM 184 CG GLU A 11 14.613 3.035 -6.563 1.00 0.00 C ATOM 185 CD GLU A 11 13.999 1.672 -6.718 1.00 0.00 C ATOM 186 OE1 GLU A 11 13.232 1.287 -5.870 1.00 0.00 O ATOM 187 OE2 GLU A 11 14.298 1.015 -7.688 1.00 0.00 O ATOM 188 H GLU A 11 12.724 5.732 -4.195 1.00 0.00 H ATOM 189 HA GLU A 11 15.371 5.285 -5.049 1.00 0.00 H ATOM 190 1HB GLU A 11 13.776 3.468 -4.656 1.00 0.00 H ATOM 191 2HB GLU A 11 12.795 3.993 -6.017 1.00 0.00 H ATOM 192 1HG GLU A 11 14.682 3.504 -7.544 1.00 0.00 H ATOM 193 2HG GLU A 11 15.624 2.931 -6.169 1.00 0.00 H ATOM 194 N LEU A 12 13.382 6.397 -7.447 1.00 0.00 N ATOM 195 CA LEU A 12 13.368 7.012 -8.769 1.00 0.00 C ATOM 196 C LEU A 12 14.145 8.322 -8.775 1.00 0.00 C ATOM 197 O LEU A 12 14.811 8.656 -9.755 1.00 0.00 O ATOM 198 CB LEU A 12 11.925 7.264 -9.222 1.00 0.00 C ATOM 199 CG LEU A 12 11.105 6.011 -9.557 1.00 0.00 C ATOM 200 CD1 LEU A 12 9.647 6.399 -9.764 1.00 0.00 C ATOM 201 CD2 LEU A 12 11.676 5.348 -10.801 1.00 0.00 C ATOM 202 H LEU A 12 12.509 6.269 -6.955 1.00 0.00 H ATOM 203 HA LEU A 12 13.837 6.325 -9.475 1.00 0.00 H ATOM 204 1HB LEU A 12 11.402 7.800 -8.432 1.00 0.00 H ATOM 205 2HB LEU A 12 11.944 7.895 -10.110 1.00 0.00 H ATOM 206 HG LEU A 12 11.148 5.313 -8.721 1.00 0.00 H ATOM 207 1HD1 LEU A 12 9.064 5.509 -10.002 1.00 0.00 H ATOM 208 2HD1 LEU A 12 9.258 6.853 -8.853 1.00 0.00 H ATOM 209 3HD1 LEU A 12 9.573 7.111 -10.585 1.00 0.00 H ATOM 210 1HD2 LEU A 12 11.094 4.457 -11.039 1.00 0.00 H ATOM 211 2HD2 LEU A 12 11.632 6.045 -11.638 1.00 0.00 H ATOM 212 3HD2 LEU A 12 12.713 5.065 -10.619 1.00 0.00 H ATOM 213 N LEU A 13 14.055 9.062 -7.675 1.00 0.00 N ATOM 214 CA LEU A 13 14.803 10.304 -7.524 1.00 0.00 C ATOM 215 C LEU A 13 16.296 10.034 -7.385 1.00 0.00 C ATOM 216 O LEU A 13 17.124 10.826 -7.836 1.00 0.00 O ATOM 217 CB LEU A 13 14.302 11.079 -6.299 1.00 0.00 C ATOM 218 CG LEU A 13 12.886 11.660 -6.413 1.00 0.00 C ATOM 219 CD1 LEU A 13 12.472 12.254 -5.073 1.00 0.00 C ATOM 220 CD2 LEU A 13 12.856 12.712 -7.511 1.00 0.00 C ATOM 221 H LEU A 13 13.452 8.756 -6.924 1.00 0.00 H ATOM 222 HA LEU A 13 14.639 10.917 -8.411 1.00 0.00 H ATOM 223 1HB LEU A 13 14.319 10.415 -5.436 1.00 0.00 H ATOM 224 2HB LEU A 13 14.985 11.907 -6.107 1.00 0.00 H ATOM 225 HG LEU A 13 12.184 10.862 -6.655 1.00 0.00 H ATOM 226 1HD1 LEU A 13 11.466 12.666 -5.154 1.00 0.00 H ATOM 227 2HD1 LEU A 13 12.483 11.476 -4.310 1.00 0.00 H ATOM 228 3HD1 LEU A 13 13.167 13.046 -4.796 1.00 0.00 H ATOM 229 1HD2 LEU A 13 11.849 13.124 -7.592 1.00 0.00 H ATOM 230 2HD2 LEU A 13 13.557 13.512 -7.269 1.00 0.00 H ATOM 231 3HD2 LEU A 13 13.139 12.256 -8.460 1.00 0.00 H ATOM 232 N ARG A 14 16.634 8.912 -6.760 1.00 0.00 N ATOM 233 CA ARG A 14 18.015 8.448 -6.711 1.00 0.00 C ATOM 234 C ARG A 14 18.514 8.058 -8.096 1.00 0.00 C ATOM 235 O ARG A 14 19.672 8.297 -8.440 1.00 0.00 O ATOM 236 CB ARG A 14 18.147 7.257 -5.773 1.00 0.00 C ATOM 237 CG ARG A 14 18.010 7.588 -4.296 1.00 0.00 C ATOM 238 CD ARG A 14 18.129 6.374 -3.448 1.00 0.00 C ATOM 239 NE ARG A 14 17.964 6.681 -2.036 1.00 0.00 N ATOM 240 CZ ARG A 14 18.953 7.098 -1.222 1.00 0.00 C ATOM 241 NH1 ARG A 14 20.171 7.252 -1.694 1.00 0.00 N ATOM 242 NH2 ARG A 14 18.700 7.351 0.050 1.00 0.00 N ATOM 243 H ARG A 14 15.915 8.366 -6.307 1.00 0.00 H ATOM 244 HA ARG A 14 18.639 9.257 -6.330 1.00 0.00 H ATOM 245 1HB ARG A 14 17.387 6.516 -6.017 1.00 0.00 H ATOM 246 2HB ARG A 14 19.120 6.787 -5.917 1.00 0.00 H ATOM 247 1HG ARG A 14 18.794 8.288 -4.005 1.00 0.00 H ATOM 248 2HG ARG A 14 17.034 8.039 -4.113 1.00 0.00 H ATOM 249 1HD ARG A 14 17.363 5.655 -3.733 1.00 0.00 H ATOM 250 2HD ARG A 14 19.114 5.929 -3.587 1.00 0.00 H ATOM 251 HE ARG A 14 17.041 6.574 -1.637 1.00 0.00 H ATOM 252 1HH1 ARG A 14 20.364 7.059 -2.666 1.00 0.00 H ATOM 253 2HH1 ARG A 14 20.912 7.565 -1.084 1.00 0.00 H ATOM 254 1HH2 ARG A 14 17.764 7.232 0.412 1.00 0.00 H ATOM 255 2HH2 ARG A 14 19.442 7.663 0.659 1.00 0.00 H ATOM 256 N ARG A 15 17.634 7.455 -8.889 1.00 0.00 N ATOM 257 CA ARG A 15 17.972 7.067 -10.253 1.00 0.00 C ATOM 258 C ARG A 15 18.061 8.284 -11.166 1.00 0.00 C ATOM 259 O ARG A 15 18.819 8.290 -12.136 1.00 0.00 O ATOM 260 CB ARG A 15 16.938 6.097 -10.805 1.00 0.00 C ATOM 261 CG ARG A 15 16.941 4.722 -10.158 1.00 0.00 C ATOM 262 CD ARG A 15 15.888 3.843 -10.729 1.00 0.00 C ATOM 263 NE ARG A 15 15.814 2.566 -10.038 1.00 0.00 N ATOM 264 CZ ARG A 15 16.601 1.505 -10.304 1.00 0.00 C ATOM 265 NH1 ARG A 15 17.514 1.584 -11.246 1.00 0.00 N ATOM 266 NH2 ARG A 15 16.454 0.385 -9.618 1.00 0.00 N ATOM 267 H ARG A 15 16.708 7.261 -8.537 1.00 0.00 H ATOM 268 HA ARG A 15 18.950 6.585 -10.244 1.00 0.00 H ATOM 269 1HB ARG A 15 15.941 6.518 -10.680 1.00 0.00 H ATOM 270 2HB ARG A 15 17.102 5.959 -11.874 1.00 0.00 H ATOM 271 1HG ARG A 15 17.909 4.246 -10.318 1.00 0.00 H ATOM 272 2HG ARG A 15 16.759 4.823 -9.087 1.00 0.00 H ATOM 273 1HD ARG A 15 14.919 4.334 -10.644 1.00 0.00 H ATOM 274 2HD ARG A 15 16.106 3.650 -11.779 1.00 0.00 H ATOM 275 HE ARG A 15 15.123 2.467 -9.306 1.00 0.00 H ATOM 276 1HH1 ARG A 15 17.626 2.440 -11.771 1.00 0.00 H ATOM 277 2HH1 ARG A 15 18.103 0.789 -11.446 1.00 0.00 H ATOM 278 1HH2 ARG A 15 15.752 0.325 -8.893 1.00 0.00 H ATOM 279 2HH2 ARG A 15 17.043 -0.410 -9.817 1.00 0.00 H ATOM 280 N GLY A 16 17.282 9.313 -10.849 1.00 0.00 N ATOM 281 CA GLY A 16 17.302 10.553 -11.615 1.00 0.00 C ATOM 282 C GLY A 16 15.985 10.770 -12.349 1.00 0.00 C ATOM 283 O GLY A 16 15.805 11.775 -13.036 1.00 0.00 O ATOM 284 H GLY A 16 16.659 9.233 -10.058 1.00 0.00 H ATOM 285 1HA GLY A 16 17.492 11.392 -10.944 1.00 0.00 H ATOM 286 2HA GLY A 16 18.122 10.524 -12.332 1.00 0.00 H ATOM 287 N ASN A 17 15.067 9.821 -12.198 1.00 0.00 N ATOM 288 CA ASN A 17 13.785 9.879 -12.891 1.00 0.00 C ATOM 289 C ASN A 17 12.799 10.772 -12.150 1.00 0.00 C ATOM 290 O ASN A 17 11.826 10.291 -11.569 1.00 0.00 O ATOM 291 CB ASN A 17 13.212 8.485 -13.071 1.00 0.00 C ATOM 292 CG ASN A 17 14.038 7.636 -13.997 1.00 0.00 C ATOM 293 OD1 ASN A 17 14.550 8.121 -15.012 1.00 0.00 O ATOM 294 ND2 ASN A 17 14.177 6.377 -13.667 1.00 0.00 N ATOM 295 H ASN A 17 15.263 9.039 -11.589 1.00 0.00 H ATOM 296 HA ASN A 17 13.947 10.299 -13.884 1.00 0.00 H ATOM 297 1HB ASN A 17 13.150 7.989 -12.101 1.00 0.00 H ATOM 298 2HB ASN A 17 12.200 8.556 -13.468 1.00 0.00 H ATOM 299 1HD2 ASN A 17 14.716 5.765 -14.246 1.00 0.00 H ATOM 300 2HD2 ASN A 17 13.745 6.028 -12.836 1.00 0.00 H ATOM 301 N GLU A 18 13.056 12.076 -12.174 1.00 0.00 N ATOM 302 CA GLU A 18 12.216 13.035 -11.467 1.00 0.00 C ATOM 303 C GLU A 18 10.767 12.943 -11.927 1.00 0.00 C ATOM 304 O GLU A 18 9.851 12.849 -11.109 1.00 0.00 O ATOM 305 CB GLU A 18 12.739 14.458 -11.677 1.00 0.00 C ATOM 306 CG GLU A 18 11.896 15.541 -11.018 1.00 0.00 C ATOM 307 CD GLU A 18 12.421 16.927 -11.274 1.00 0.00 C ATOM 308 OE1 GLU A 18 13.510 17.045 -11.781 1.00 0.00 O ATOM 309 OE2 GLU A 18 11.731 17.868 -10.961 1.00 0.00 O ATOM 310 H GLU A 18 13.853 12.411 -12.696 1.00 0.00 H ATOM 311 HA GLU A 18 12.259 12.813 -10.400 1.00 0.00 H ATOM 312 1HB GLU A 18 13.752 14.536 -11.282 1.00 0.00 H ATOM 313 2HB GLU A 18 12.786 14.674 -12.744 1.00 0.00 H ATOM 314 1HG GLU A 18 10.877 15.475 -11.398 1.00 0.00 H ATOM 315 2HG GLU A 18 11.867 15.361 -9.945 1.00 0.00 H ATOM 316 N ASP A 19 10.565 12.971 -13.240 1.00 0.00 N ATOM 317 CA ASP A 19 9.223 12.967 -13.809 1.00 0.00 C ATOM 318 C ASP A 19 8.426 11.759 -13.332 1.00 0.00 C ATOM 319 O ASP A 19 7.261 11.881 -12.954 1.00 0.00 O ATOM 320 CB ASP A 19 9.289 12.971 -15.338 1.00 0.00 C ATOM 321 CG ASP A 19 9.751 14.305 -15.907 1.00 0.00 C ATOM 322 OD1 ASP A 19 9.740 15.274 -15.185 1.00 0.00 O ATOM 323 OD2 ASP A 19 10.111 14.344 -17.060 1.00 0.00 O ATOM 324 H ASP A 19 11.362 12.996 -13.859 1.00 0.00 H ATOM 325 HA ASP A 19 8.708 13.873 -13.489 1.00 0.00 H ATOM 326 1HB ASP A 19 9.973 12.192 -15.675 1.00 0.00 H ATOM 327 2HB ASP A 19 8.304 12.740 -15.745 1.00 0.00 H ATOM 328 N GLU A 20 9.062 10.592 -13.353 1.00 0.00 N ATOM 329 CA GLU A 20 8.401 9.353 -12.958 1.00 0.00 C ATOM 330 C GLU A 20 8.150 9.317 -11.456 1.00 0.00 C ATOM 331 O GLU A 20 7.132 8.798 -11.000 1.00 0.00 O ATOM 332 CB GLU A 20 9.243 8.145 -13.374 1.00 0.00 C ATOM 333 CG GLU A 20 9.397 7.973 -14.879 1.00 0.00 C ATOM 334 CD GLU A 20 8.080 7.837 -15.590 1.00 0.00 C ATOM 335 OE1 GLU A 20 7.280 7.036 -15.170 1.00 0.00 O ATOM 336 OE2 GLU A 20 7.873 8.535 -16.555 1.00 0.00 O ATOM 337 H GLU A 20 10.027 10.562 -13.650 1.00 0.00 H ATOM 338 HA GLU A 20 7.443 9.292 -13.475 1.00 0.00 H ATOM 339 1HB GLU A 20 10.241 8.230 -12.943 1.00 0.00 H ATOM 340 2HB GLU A 20 8.793 7.234 -12.978 1.00 0.00 H ATOM 341 1HG GLU A 20 9.926 8.838 -15.280 1.00 0.00 H ATOM 342 2HG GLU A 20 10.003 7.089 -15.073 1.00 0.00 H ATOM 343 N ALA A 21 9.085 9.871 -10.692 1.00 0.00 N ATOM 344 CA ALA A 21 8.926 9.983 -9.247 1.00 0.00 C ATOM 345 C ALA A 21 7.713 10.833 -8.891 1.00 0.00 C ATOM 346 O ALA A 21 6.971 10.516 -7.961 1.00 0.00 O ATOM 347 CB ALA A 21 10.183 10.567 -8.619 1.00 0.00 C ATOM 348 H ALA A 21 9.928 10.223 -11.123 1.00 0.00 H ATOM 349 HA ALA A 21 8.785 8.983 -8.836 1.00 0.00 H ATOM 350 1HB ALA A 21 10.049 10.645 -7.540 1.00 0.00 H ATOM 351 2HB ALA A 21 11.032 9.917 -8.833 1.00 0.00 H ATOM 352 3HB ALA A 21 10.371 11.556 -9.033 1.00 0.00 H ATOM 353 N ARG A 22 7.516 11.915 -9.637 1.00 0.00 N ATOM 354 CA ARG A 22 6.363 12.785 -9.435 1.00 0.00 C ATOM 355 C ARG A 22 5.066 12.071 -9.795 1.00 0.00 C ATOM 356 O ARG A 22 4.046 12.241 -9.125 1.00 0.00 O ATOM 357 CB ARG A 22 6.492 14.048 -10.274 1.00 0.00 C ATOM 358 CG ARG A 22 7.567 15.017 -9.808 1.00 0.00 C ATOM 359 CD ARG A 22 7.594 16.248 -10.639 1.00 0.00 C ATOM 360 NE ARG A 22 8.674 17.141 -10.251 1.00 0.00 N ATOM 361 CZ ARG A 22 8.625 17.993 -9.209 1.00 0.00 C ATOM 362 NH1 ARG A 22 7.545 18.057 -8.463 1.00 0.00 N ATOM 363 NH2 ARG A 22 9.662 18.766 -8.938 1.00 0.00 N ATOM 364 H ARG A 22 8.182 12.142 -10.361 1.00 0.00 H ATOM 365 HA ARG A 22 6.324 13.071 -8.384 1.00 0.00 H ATOM 366 1HB ARG A 22 6.714 13.779 -11.305 1.00 0.00 H ATOM 367 2HB ARG A 22 5.542 14.584 -10.273 1.00 0.00 H ATOM 368 1HG ARG A 22 7.375 15.305 -8.775 1.00 0.00 H ATOM 369 2HG ARG A 22 8.544 14.536 -9.876 1.00 0.00 H ATOM 370 1HD ARG A 22 7.735 15.977 -11.686 1.00 0.00 H ATOM 371 2HD ARG A 22 6.652 16.783 -10.527 1.00 0.00 H ATOM 372 HE ARG A 22 9.522 17.120 -10.802 1.00 0.00 H ATOM 373 1HH1 ARG A 22 6.751 17.466 -8.670 1.00 0.00 H ATOM 374 2HH1 ARG A 22 7.507 18.696 -7.682 1.00 0.00 H ATOM 375 1HH2 ARG A 22 10.493 18.717 -9.512 1.00 0.00 H ATOM 376 2HH2 ARG A 22 9.625 19.404 -8.157 1.00 0.00 H ATOM 377 N LYS A 23 5.110 11.272 -10.855 1.00 0.00 N ATOM 378 CA LYS A 23 3.960 10.474 -11.262 1.00 0.00 C ATOM 379 C LYS A 23 3.526 9.526 -10.152 1.00 0.00 C ATOM 380 O LYS A 23 2.339 9.416 -9.844 1.00 0.00 O ATOM 381 CB LYS A 23 4.277 9.685 -12.534 1.00 0.00 C ATOM 382 CG LYS A 23 4.387 10.537 -13.791 1.00 0.00 C ATOM 383 CD LYS A 23 4.768 9.693 -14.999 1.00 0.00 C ATOM 384 CE LYS A 23 4.992 10.557 -16.231 1.00 0.00 C ATOM 385 NZ LYS A 23 5.427 9.752 -17.404 1.00 0.00 N ATOM 386 H LYS A 23 5.963 11.215 -11.393 1.00 0.00 H ATOM 387 HA LYS A 23 3.133 11.149 -11.488 1.00 0.00 H ATOM 388 1HB LYS A 23 5.221 9.154 -12.406 1.00 0.00 H ATOM 389 2HB LYS A 23 3.501 8.938 -12.702 1.00 0.00 H ATOM 390 1HG LYS A 23 3.431 11.024 -13.986 1.00 0.00 H ATOM 391 2HG LYS A 23 5.143 11.307 -13.644 1.00 0.00 H ATOM 392 1HD LYS A 23 5.683 9.139 -14.782 1.00 0.00 H ATOM 393 2HD LYS A 23 3.972 8.978 -15.208 1.00 0.00 H ATOM 394 1HE LYS A 23 4.068 11.076 -16.484 1.00 0.00 H ATOM 395 2HE LYS A 23 5.755 11.305 -16.017 1.00 0.00 H ATOM 396 1HZ LYS A 23 5.565 10.360 -18.198 1.00 0.00 H ATOM 397 2HZ LYS A 23 6.294 9.280 -17.187 1.00 0.00 H ATOM 398 3HZ LYS A 23 4.718 9.067 -17.624 1.00 0.00 H ATOM 399 N VAL A 24 4.495 8.842 -9.553 1.00 0.00 N ATOM 400 CA VAL A 24 4.219 7.922 -8.457 1.00 0.00 C ATOM 401 C VAL A 24 3.672 8.660 -7.242 1.00 0.00 C ATOM 402 O VAL A 24 2.738 8.195 -6.589 1.00 0.00 O ATOM 403 CB VAL A 24 5.499 7.164 -8.059 1.00 0.00 C ATOM 404 CG1 VAL A 24 5.267 6.354 -6.792 1.00 0.00 C ATOM 405 CG2 VAL A 24 5.943 6.263 -9.201 1.00 0.00 C ATOM 406 H VAL A 24 5.448 8.962 -9.866 1.00 0.00 H ATOM 407 HA VAL A 24 3.473 7.199 -8.791 1.00 0.00 H ATOM 408 HB VAL A 24 6.285 7.887 -7.839 1.00 0.00 H ATOM 409 1HG1 VAL A 24 6.183 5.825 -6.525 1.00 0.00 H ATOM 410 2HG1 VAL A 24 4.986 7.023 -5.979 1.00 0.00 H ATOM 411 3HG1 VAL A 24 4.469 5.632 -6.963 1.00 0.00 H ATOM 412 1HG2 VAL A 24 6.850 5.731 -8.914 1.00 0.00 H ATOM 413 2HG2 VAL A 24 5.155 5.543 -9.425 1.00 0.00 H ATOM 414 3HG2 VAL A 24 6.144 6.868 -10.086 1.00 0.00 H ATOM 415 N ALA A 25 4.259 9.815 -6.944 1.00 0.00 N ATOM 416 CA ALA A 25 3.799 10.644 -5.837 1.00 0.00 C ATOM 417 C ALA A 25 2.338 11.039 -6.013 1.00 0.00 C ATOM 418 O ALA A 25 1.555 10.998 -5.064 1.00 0.00 O ATOM 419 CB ALA A 25 4.670 11.885 -5.708 1.00 0.00 C ATOM 420 H ALA A 25 5.043 10.125 -7.499 1.00 0.00 H ATOM 421 HA ALA A 25 3.898 10.074 -4.913 1.00 0.00 H ATOM 422 1HB ALA A 25 4.315 12.495 -4.877 1.00 0.00 H ATOM 423 2HB ALA A 25 5.703 11.588 -5.524 1.00 0.00 H ATOM 424 3HB ALA A 25 4.619 12.463 -6.629 1.00 0.00 H ATOM 425 N LYS A 26 1.977 11.421 -7.233 1.00 0.00 N ATOM 426 CA LYS A 26 0.606 11.808 -7.540 1.00 0.00 C ATOM 427 C LYS A 26 -0.353 10.641 -7.344 1.00 0.00 C ATOM 428 O LYS A 26 -1.449 10.809 -6.809 1.00 0.00 O ATOM 429 CB LYS A 26 0.506 12.336 -8.973 1.00 0.00 C ATOM 430 CG LYS A 26 1.144 13.702 -9.186 1.00 0.00 C ATOM 431 CD LYS A 26 1.051 14.135 -10.641 1.00 0.00 C ATOM 432 CE LYS A 26 1.703 15.492 -10.859 1.00 0.00 C ATOM 433 NZ LYS A 26 1.632 15.922 -12.282 1.00 0.00 N ATOM 434 H LYS A 26 2.671 11.445 -7.967 1.00 0.00 H ATOM 435 HA LYS A 26 0.315 12.616 -6.868 1.00 0.00 H ATOM 436 1HB LYS A 26 0.985 11.633 -9.654 1.00 0.00 H ATOM 437 2HB LYS A 26 -0.543 12.408 -9.261 1.00 0.00 H ATOM 438 1HG LYS A 26 0.639 14.441 -8.563 1.00 0.00 H ATOM 439 2HG LYS A 26 2.193 13.663 -8.894 1.00 0.00 H ATOM 440 1HD LYS A 26 1.547 13.397 -11.273 1.00 0.00 H ATOM 441 2HD LYS A 26 0.003 14.194 -10.937 1.00 0.00 H ATOM 442 1HE LYS A 26 1.205 16.238 -10.242 1.00 0.00 H ATOM 443 2HE LYS A 26 2.750 15.445 -10.559 1.00 0.00 H ATOM 444 1HZ LYS A 26 2.075 16.824 -12.385 1.00 0.00 H ATOM 445 2HZ LYS A 26 2.108 15.245 -12.863 1.00 0.00 H ATOM 446 3HZ LYS A 26 0.665 15.988 -12.567 1.00 0.00 H ATOM 447 N LYS A 27 0.066 9.458 -7.781 1.00 0.00 N ATOM 448 CA LYS A 27 -0.743 8.255 -7.628 1.00 0.00 C ATOM 449 C LYS A 27 -0.845 7.842 -6.165 1.00 0.00 C ATOM 450 O LYS A 27 -1.896 7.390 -5.709 1.00 0.00 O ATOM 451 CB LYS A 27 -0.162 7.110 -8.458 1.00 0.00 C ATOM 452 CG LYS A 27 -0.305 7.289 -9.964 1.00 0.00 C ATOM 453 CD LYS A 27 0.324 6.129 -10.721 1.00 0.00 C ATOM 454 CE LYS A 27 0.186 6.309 -12.226 1.00 0.00 C ATOM 455 NZ LYS A 27 0.811 5.189 -12.980 1.00 0.00 N ATOM 456 H LYS A 27 0.968 9.391 -8.230 1.00 0.00 H ATOM 457 HA LYS A 27 -1.746 8.462 -8.003 1.00 0.00 H ATOM 458 1HB LYS A 27 0.900 6.999 -8.234 1.00 0.00 H ATOM 459 2HB LYS A 27 -0.653 6.176 -8.184 1.00 0.00 H ATOM 460 1HG LYS A 27 -1.363 7.350 -10.224 1.00 0.00 H ATOM 461 2HG LYS A 27 0.180 8.216 -10.268 1.00 0.00 H ATOM 462 1HD LYS A 27 1.383 6.061 -10.467 1.00 0.00 H ATOM 463 2HD LYS A 27 -0.162 5.198 -10.430 1.00 0.00 H ATOM 464 1HE LYS A 27 -0.869 6.364 -12.490 1.00 0.00 H ATOM 465 2HE LYS A 27 0.662 7.242 -12.526 1.00 0.00 H ATOM 466 1HZ LYS A 27 0.699 5.346 -13.971 1.00 0.00 H ATOM 467 2HZ LYS A 27 1.796 5.140 -12.757 1.00 0.00 H ATOM 468 3HZ LYS A 27 0.365 4.320 -12.724 1.00 0.00 H ATOM 469 N ALA A 28 0.253 7.998 -5.433 1.00 0.00 N ATOM 470 CA ALA A 28 0.298 7.616 -4.027 1.00 0.00 C ATOM 471 C ALA A 28 -0.503 8.585 -3.167 1.00 0.00 C ATOM 472 O ALA A 28 -1.101 8.192 -2.165 1.00 0.00 O ATOM 473 CB ALA A 28 1.739 7.546 -3.543 1.00 0.00 C ATOM 474 H ALA A 28 1.078 8.393 -5.862 1.00 0.00 H ATOM 475 HA ALA A 28 -0.134 6.619 -3.926 1.00 0.00 H ATOM 476 1HB ALA A 28 1.755 7.259 -2.491 1.00 0.00 H ATOM 477 2HB ALA A 28 2.284 6.806 -4.129 1.00 0.00 H ATOM 478 3HB ALA A 28 2.209 8.520 -3.660 1.00 0.00 H ATOM 479 N GLY A 29 -0.511 9.853 -3.564 1.00 0.00 N ATOM 480 CA GLY A 29 -1.133 10.902 -2.764 1.00 0.00 C ATOM 481 C GLY A 29 -0.093 11.667 -1.955 1.00 0.00 C ATOM 482 O GLY A 29 -0.423 12.328 -0.970 1.00 0.00 O ATOM 483 H GLY A 29 -0.075 10.096 -4.442 1.00 0.00 H ATOM 484 1HA GLY A 29 -1.668 11.589 -3.419 1.00 0.00 H ATOM 485 2HA GLY A 29 -1.868 10.460 -2.093 1.00 0.00 H ATOM 486 N ILE A 30 1.163 11.573 -2.377 1.00 0.00 N ATOM 487 CA ILE A 30 2.256 12.243 -1.682 1.00 0.00 C ATOM 488 C ILE A 30 2.322 13.719 -2.052 1.00 0.00 C ATOM 489 O ILE A 30 2.379 14.072 -3.230 1.00 0.00 O ATOM 490 CB ILE A 30 3.604 11.572 -2.004 1.00 0.00 C ATOM 491 CG1 ILE A 30 3.609 10.122 -1.514 1.00 0.00 C ATOM 492 CG2 ILE A 30 4.749 12.353 -1.377 1.00 0.00 C ATOM 493 CD1 ILE A 30 4.770 9.305 -2.035 1.00 0.00 C ATOM 494 H ILE A 30 1.366 11.024 -3.200 1.00 0.00 H ATOM 495 HA ILE A 30 2.081 12.168 -0.609 1.00 0.00 H ATOM 496 HB ILE A 30 3.746 11.541 -3.083 1.00 0.00 H ATOM 497 1HG1 ILE A 30 3.641 10.105 -0.425 1.00 0.00 H ATOM 498 2HG1 ILE A 30 2.684 9.631 -1.820 1.00 0.00 H ATOM 499 1HG2 ILE A 30 5.695 11.864 -1.614 1.00 0.00 H ATOM 500 2HG2 ILE A 30 4.757 13.368 -1.772 1.00 0.00 H ATOM 501 3HG2 ILE A 30 4.619 12.385 -0.295 1.00 0.00 H ATOM 502 1HD1 ILE A 30 4.704 8.289 -1.645 1.00 0.00 H ATOM 503 2HD1 ILE A 30 4.737 9.279 -3.124 1.00 0.00 H ATOM 504 3HD1 ILE A 30 5.706 9.757 -1.711 1.00 0.00 H ATOM 505 N SER A 31 2.313 14.579 -1.039 1.00 0.00 N ATOM 506 CA SER A 31 2.321 16.020 -1.257 1.00 0.00 C ATOM 507 C SER A 31 3.678 16.494 -1.759 1.00 0.00 C ATOM 508 O SER A 31 4.666 15.762 -1.694 1.00 0.00 O ATOM 509 CB SER A 31 1.966 16.744 0.027 1.00 0.00 C ATOM 510 OG SER A 31 2.977 16.592 0.986 1.00 0.00 O ATOM 511 H SER A 31 2.301 14.224 -0.093 1.00 0.00 H ATOM 512 HA SER A 31 1.573 16.260 -2.014 1.00 0.00 H ATOM 513 1HB SER A 31 1.816 17.803 -0.182 1.00 0.00 H ATOM 514 2HB SER A 31 1.028 16.353 0.418 1.00 0.00 H ATOM 515 HG SER A 31 2.823 15.738 1.399 1.00 0.00 H ATOM 516 N GLU A 32 3.722 17.723 -2.261 1.00 0.00 N ATOM 517 CA GLU A 32 4.943 18.273 -2.838 1.00 0.00 C ATOM 518 C GLU A 32 6.028 18.431 -1.781 1.00 0.00 C ATOM 519 O GLU A 32 7.209 18.214 -2.053 1.00 0.00 O ATOM 520 CB GLU A 32 4.660 19.624 -3.498 1.00 0.00 C ATOM 521 CG GLU A 32 5.833 20.202 -4.277 1.00 0.00 C ATOM 522 CD GLU A 32 6.183 19.392 -5.494 1.00 0.00 C ATOM 523 OE1 GLU A 32 5.370 18.603 -5.913 1.00 0.00 O ATOM 524 OE2 GLU A 32 7.263 19.563 -6.007 1.00 0.00 O ATOM 525 H GLU A 32 2.887 18.292 -2.243 1.00 0.00 H ATOM 526 HA GLU A 32 5.301 17.588 -3.607 1.00 0.00 H ATOM 527 1HB GLU A 32 3.819 19.525 -4.185 1.00 0.00 H ATOM 528 2HB GLU A 32 4.375 20.349 -2.735 1.00 0.00 H ATOM 529 1HG GLU A 32 5.586 21.216 -4.588 1.00 0.00 H ATOM 530 2HG GLU A 32 6.701 20.254 -3.620 1.00 0.00 H ATOM 531 N GLU A 33 5.621 18.810 -0.574 1.00 0.00 N ATOM 532 CA GLU A 33 6.559 19.000 0.526 1.00 0.00 C ATOM 533 C GLU A 33 7.126 17.670 1.003 1.00 0.00 C ATOM 534 O GLU A 33 8.298 17.579 1.369 1.00 0.00 O ATOM 535 CB GLU A 33 5.876 19.722 1.690 1.00 0.00 C ATOM 536 CG GLU A 33 5.506 21.170 1.402 1.00 0.00 C ATOM 537 CD GLU A 33 6.697 22.022 1.061 1.00 0.00 C ATOM 538 OE1 GLU A 33 7.662 21.977 1.784 1.00 0.00 O ATOM 539 OE2 GLU A 33 6.640 22.718 0.074 1.00 0.00 O ATOM 540 H GLU A 33 4.637 18.970 -0.415 1.00 0.00 H ATOM 541 HA GLU A 33 7.381 19.625 0.175 1.00 0.00 H ATOM 542 1HB GLU A 33 4.964 19.191 1.962 1.00 0.00 H ATOM 543 2HB GLU A 33 6.533 19.711 2.560 1.00 0.00 H ATOM 544 1HG GLU A 33 4.804 21.195 0.569 1.00 0.00 H ATOM 545 2HG GLU A 33 5.006 21.586 2.275 1.00 0.00 H ATOM 546 N GLU A 34 6.288 16.639 0.996 1.00 0.00 N ATOM 547 CA GLU A 34 6.741 15.281 1.273 1.00 0.00 C ATOM 548 C GLU A 34 7.683 14.782 0.184 1.00 0.00 C ATOM 549 O GLU A 34 8.671 14.104 0.468 1.00 0.00 O ATOM 550 CB GLU A 34 5.545 14.334 1.399 1.00 0.00 C ATOM 551 CG GLU A 34 4.737 14.509 2.677 1.00 0.00 C ATOM 552 CD GLU A 34 3.488 13.674 2.698 1.00 0.00 C ATOM 553 OE1 GLU A 34 3.432 12.741 3.463 1.00 0.00 O ATOM 554 OE2 GLU A 34 2.587 13.968 1.947 1.00 0.00 O ATOM 555 H GLU A 34 5.311 16.800 0.794 1.00 0.00 H ATOM 556 HA GLU A 34 7.275 15.281 2.224 1.00 0.00 H ATOM 557 1HB GLU A 34 4.872 14.484 0.554 1.00 0.00 H ATOM 558 2HB GLU A 34 5.893 13.302 1.362 1.00 0.00 H ATOM 559 1HG GLU A 34 5.359 14.234 3.528 1.00 0.00 H ATOM 560 2HG GLU A 34 4.468 15.559 2.783 1.00 0.00 H ATOM 561 N TRP A 35 7.372 15.122 -1.062 1.00 0.00 N ATOM 562 CA TRP A 35 8.249 14.808 -2.183 1.00 0.00 C ATOM 563 C TRP A 35 9.616 15.458 -2.013 1.00 0.00 C ATOM 564 O TRP A 35 10.646 14.841 -2.286 1.00 0.00 O ATOM 565 CB TRP A 35 7.620 15.272 -3.498 1.00 0.00 C ATOM 566 CG TRP A 35 8.468 14.988 -4.701 1.00 0.00 C ATOM 567 CD1 TRP A 35 8.450 13.858 -5.462 1.00 0.00 C ATOM 568 CD2 TRP A 35 9.470 15.852 -5.290 1.00 0.00 C ATOM 569 NE1 TRP A 35 9.367 13.957 -6.479 1.00 0.00 N ATOM 570 CE2 TRP A 35 9.999 15.172 -6.390 1.00 0.00 C ATOM 571 CE3 TRP A 35 9.951 17.129 -4.977 1.00 0.00 C ATOM 572 CZ2 TRP A 35 10.992 15.723 -7.184 1.00 0.00 C ATOM 573 CZ3 TRP A 35 10.946 17.682 -5.774 1.00 0.00 C ATOM 574 CH2 TRP A 35 11.452 16.997 -6.850 1.00 0.00 C ATOM 575 H TRP A 35 6.506 15.611 -1.236 1.00 0.00 H ATOM 576 HA TRP A 35 8.379 13.726 -2.228 1.00 0.00 H ATOM 577 1HB TRP A 35 6.656 14.781 -3.634 1.00 0.00 H ATOM 578 2HB TRP A 35 7.436 16.346 -3.455 1.00 0.00 H ATOM 579 HD1 TRP A 35 7.802 13.000 -5.289 1.00 0.00 H ATOM 580 HE1 TRP A 35 9.549 13.252 -7.179 1.00 0.00 H ATOM 581 HE3 TRP A 35 9.550 17.679 -4.126 1.00 0.00 H ATOM 582 HZ2 TRP A 35 11.408 15.194 -8.042 1.00 0.00 H ATOM 583 HZ3 TRP A 35 11.316 18.677 -5.523 1.00 0.00 H ATOM 584 HH2 TRP A 35 12.232 17.460 -7.454 1.00 0.00 H ATOM 585 N LYS A 36 9.619 16.707 -1.560 1.00 0.00 N ATOM 586 CA LYS A 36 10.862 17.414 -1.273 1.00 0.00 C ATOM 587 C LYS A 36 11.691 16.672 -0.233 1.00 0.00 C ATOM 588 O LYS A 36 12.904 16.527 -0.381 1.00 0.00 O ATOM 589 CB LYS A 36 10.569 18.837 -0.795 1.00 0.00 C ATOM 590 CG LYS A 36 10.057 19.773 -1.882 1.00 0.00 C ATOM 591 CD LYS A 36 9.697 21.137 -1.312 1.00 0.00 C ATOM 592 CE LYS A 36 9.102 22.044 -2.379 1.00 0.00 C ATOM 593 NZ LYS A 36 8.669 23.353 -1.819 1.00 0.00 N ATOM 594 H LYS A 36 8.739 17.178 -1.410 1.00 0.00 H ATOM 595 HA LYS A 36 11.440 17.486 -2.195 1.00 0.00 H ATOM 596 1HB LYS A 36 9.824 18.808 0.000 1.00 0.00 H ATOM 597 2HB LYS A 36 11.477 19.275 -0.378 1.00 0.00 H ATOM 598 1HG LYS A 36 10.825 19.899 -2.646 1.00 0.00 H ATOM 599 2HG LYS A 36 9.174 19.339 -2.349 1.00 0.00 H ATOM 600 1HD LYS A 36 8.974 21.015 -0.505 1.00 0.00 H ATOM 601 2HD LYS A 36 10.592 21.610 -0.906 1.00 0.00 H ATOM 602 1HE LYS A 36 9.841 22.223 -3.158 1.00 0.00 H ATOM 603 2HE LYS A 36 8.239 21.555 -2.832 1.00 0.00 H ATOM 604 1HZ LYS A 36 8.280 23.924 -2.556 1.00 0.00 H ATOM 605 2HZ LYS A 36 7.969 23.200 -1.107 1.00 0.00 H ATOM 606 3HZ LYS A 36 9.464 23.825 -1.412 1.00 0.00 H ATOM 607 N GLU A 37 11.029 16.204 0.820 1.00 0.00 N ATOM 608 CA GLU A 37 11.684 15.391 1.837 1.00 0.00 C ATOM 609 C GLU A 37 12.303 14.140 1.228 1.00 0.00 C ATOM 610 O GLU A 37 13.456 13.808 1.505 1.00 0.00 O ATOM 611 CB GLU A 37 10.687 14.999 2.930 1.00 0.00 C ATOM 612 CG GLU A 37 11.266 14.105 4.018 1.00 0.00 C ATOM 613 CD GLU A 37 10.248 13.705 5.049 1.00 0.00 C ATOM 614 OE1 GLU A 37 9.250 14.375 5.163 1.00 0.00 O ATOM 615 OE2 GLU A 37 10.469 12.727 5.725 1.00 0.00 O ATOM 616 H GLU A 37 10.046 16.417 0.918 1.00 0.00 H ATOM 617 HA GLU A 37 12.475 15.984 2.298 1.00 0.00 H ATOM 618 1HB GLU A 37 10.298 15.898 3.408 1.00 0.00 H ATOM 619 2HB GLU A 37 9.843 14.475 2.481 1.00 0.00 H ATOM 620 1HG GLU A 37 11.672 13.205 3.557 1.00 0.00 H ATOM 621 2HG GLU A 37 12.085 14.631 4.507 1.00 0.00 H ATOM 622 N LEU A 38 11.531 13.448 0.397 1.00 0.00 N ATOM 623 CA LEU A 38 11.998 12.224 -0.243 1.00 0.00 C ATOM 624 C LEU A 38 13.192 12.497 -1.148 1.00 0.00 C ATOM 625 O LEU A 38 14.100 11.674 -1.259 1.00 0.00 O ATOM 626 CB LEU A 38 10.866 11.587 -1.058 1.00 0.00 C ATOM 627 CG LEU A 38 9.709 10.996 -0.241 1.00 0.00 C ATOM 628 CD1 LEU A 38 8.579 10.592 -1.178 1.00 0.00 C ATOM 629 CD2 LEU A 38 10.210 9.802 0.558 1.00 0.00 C ATOM 630 H LEU A 38 10.596 13.778 0.204 1.00 0.00 H ATOM 631 HA LEU A 38 12.302 11.521 0.534 1.00 0.00 H ATOM 632 1HB LEU A 38 10.449 12.342 -1.723 1.00 0.00 H ATOM 633 2HB LEU A 38 11.284 10.786 -1.667 1.00 0.00 H ATOM 634 HG LEU A 38 9.322 11.753 0.441 1.00 0.00 H ATOM 635 1HD1 LEU A 38 7.757 10.173 -0.598 1.00 0.00 H ATOM 636 2HD1 LEU A 38 8.227 11.469 -1.723 1.00 0.00 H ATOM 637 3HD1 LEU A 38 8.942 9.847 -1.885 1.00 0.00 H ATOM 638 1HD2 LEU A 38 9.388 9.383 1.139 1.00 0.00 H ATOM 639 2HD2 LEU A 38 10.596 9.044 -0.124 1.00 0.00 H ATOM 640 3HD2 LEU A 38 11.004 10.123 1.232 1.00 0.00 H ATOM 641 N LYS A 39 13.185 13.658 -1.794 1.00 0.00 N ATOM 642 CA LYS A 39 14.324 14.099 -2.591 1.00 0.00 C ATOM 643 C LYS A 39 15.560 14.294 -1.723 1.00 0.00 C ATOM 644 O LYS A 39 16.658 13.870 -2.085 1.00 0.00 O ATOM 645 CB LYS A 39 13.990 15.396 -3.331 1.00 0.00 C ATOM 646 CG LYS A 39 15.110 15.917 -4.222 1.00 0.00 C ATOM 647 CD LYS A 39 14.686 17.176 -4.963 1.00 0.00 C ATOM 648 CE LYS A 39 15.820 17.727 -5.815 1.00 0.00 C ATOM 649 NZ LYS A 39 15.420 18.961 -6.544 1.00 0.00 N ATOM 650 H LYS A 39 12.369 14.251 -1.732 1.00 0.00 H ATOM 651 HA LYS A 39 14.539 13.335 -3.339 1.00 0.00 H ATOM 652 1HB LYS A 39 13.110 15.242 -3.955 1.00 0.00 H ATOM 653 2HB LYS A 39 13.747 16.175 -2.608 1.00 0.00 H ATOM 654 1HG LYS A 39 15.986 16.142 -3.612 1.00 0.00 H ATOM 655 2HG LYS A 39 15.383 15.153 -4.949 1.00 0.00 H ATOM 656 1HD LYS A 39 13.835 16.950 -5.607 1.00 0.00 H ATOM 657 2HD LYS A 39 14.383 17.937 -4.243 1.00 0.00 H ATOM 658 1HE LYS A 39 16.674 17.956 -5.179 1.00 0.00 H ATOM 659 2HE LYS A 39 16.127 16.975 -6.541 1.00 0.00 H ATOM 660 1HZ LYS A 39 16.197 19.294 -7.096 1.00 0.00 H ATOM 661 2HZ LYS A 39 14.639 18.756 -7.151 1.00 0.00 H ATOM 662 3HZ LYS A 39 15.151 19.673 -5.879 1.00 0.00 H ATOM 663 N LYS A 40 15.376 14.939 -0.576 1.00 0.00 N ATOM 664 CA LYS A 40 16.462 15.131 0.378 1.00 0.00 C ATOM 665 C LYS A 40 16.986 13.796 0.892 1.00 0.00 C ATOM 666 O LYS A 40 18.185 13.634 1.116 1.00 0.00 O ATOM 667 CB LYS A 40 15.999 16.000 1.549 1.00 0.00 C ATOM 668 CG LYS A 40 15.756 17.460 1.191 1.00 0.00 C ATOM 669 CD LYS A 40 15.256 18.248 2.392 1.00 0.00 C ATOM 670 CE LYS A 40 14.993 19.702 2.031 1.00 0.00 C ATOM 671 NZ LYS A 40 14.480 20.480 3.192 1.00 0.00 N ATOM 672 H LYS A 40 14.460 15.306 -0.360 1.00 0.00 H ATOM 673 HA LYS A 40 17.275 15.656 -0.124 1.00 0.00 H ATOM 674 1HB LYS A 40 15.072 15.597 1.957 1.00 0.00 H ATOM 675 2HB LYS A 40 16.746 15.970 2.342 1.00 0.00 H ATOM 676 1HG LYS A 40 16.685 17.907 0.835 1.00 0.00 H ATOM 677 2HG LYS A 40 15.016 17.521 0.393 1.00 0.00 H ATOM 678 1HD LYS A 40 14.332 17.801 2.761 1.00 0.00 H ATOM 679 2HD LYS A 40 16.000 18.210 3.188 1.00 0.00 H ATOM 680 1HE LYS A 40 15.916 20.162 1.681 1.00 0.00 H ATOM 681 2HE LYS A 40 14.260 19.750 1.226 1.00 0.00 H ATOM 682 1HZ LYS A 40 14.318 21.437 2.912 1.00 0.00 H ATOM 683 2HZ LYS A 40 13.613 20.073 3.514 1.00 0.00 H ATOM 684 3HZ LYS A 40 15.159 20.458 3.939 1.00 0.00 H ATOM 685 N ARG A 41 16.079 12.842 1.076 1.00 0.00 N ATOM 686 CA ARG A 41 16.459 11.491 1.473 1.00 0.00 C ATOM 687 C ARG A 41 17.184 10.769 0.345 1.00 0.00 C ATOM 688 O ARG A 41 18.111 9.995 0.586 1.00 0.00 O ATOM 689 CB ARG A 41 15.232 10.688 1.879 1.00 0.00 C ATOM 690 CG ARG A 41 14.588 11.121 3.186 1.00 0.00 C ATOM 691 CD ARG A 41 13.377 10.318 3.495 1.00 0.00 C ATOM 692 NE ARG A 41 12.717 10.776 4.707 1.00 0.00 N ATOM 693 CZ ARG A 41 13.054 10.393 5.954 1.00 0.00 C ATOM 694 NH1 ARG A 41 14.044 9.547 6.136 1.00 0.00 N ATOM 695 NH2 ARG A 41 12.391 10.867 6.993 1.00 0.00 N ATOM 696 H ARG A 41 15.102 13.058 0.937 1.00 0.00 H ATOM 697 HA ARG A 41 17.127 11.558 2.332 1.00 0.00 H ATOM 698 1HB ARG A 41 14.475 10.761 1.099 1.00 0.00 H ATOM 699 2HB ARG A 41 15.501 9.636 1.977 1.00 0.00 H ATOM 700 1HG ARG A 41 15.300 10.996 4.002 1.00 0.00 H ATOM 701 2HG ARG A 41 14.295 12.170 3.118 1.00 0.00 H ATOM 702 1HD ARG A 41 12.669 10.396 2.671 1.00 0.00 H ATOM 703 2HD ARG A 41 13.659 9.275 3.634 1.00 0.00 H ATOM 704 HE ARG A 41 11.950 11.428 4.607 1.00 0.00 H ATOM 705 1HH1 ARG A 41 14.552 9.184 5.341 1.00 0.00 H ATOM 706 2HH1 ARG A 41 14.297 9.260 7.070 1.00 0.00 H ATOM 707 1HH2 ARG A 41 11.630 11.518 6.853 1.00 0.00 H ATOM 708 2HH2 ARG A 41 12.644 10.580 7.927 1.00 0.00 H ATOM 709 N ALA A 42 16.757 11.026 -0.887 1.00 0.00 N ATOM 710 CA ALA A 42 17.407 10.451 -2.058 1.00 0.00 C ATOM 711 C ALA A 42 18.834 10.965 -2.205 1.00 0.00 C ATOM 712 O ALA A 42 19.732 10.226 -2.607 1.00 0.00 O ATOM 713 CB ALA A 42 16.603 10.757 -3.314 1.00 0.00 C ATOM 714 H ALA A 42 15.962 11.635 -1.014 1.00 0.00 H ATOM 715 HA ALA A 42 17.437 9.367 -1.941 1.00 0.00 H ATOM 716 1HB ALA A 42 17.101 10.321 -4.180 1.00 0.00 H ATOM 717 2HB ALA A 42 15.604 10.332 -3.218 1.00 0.00 H ATOM 718 3HB ALA A 42 16.528 11.835 -3.443 1.00 0.00 H ATOM 719 N ASN A 43 19.035 12.237 -1.876 1.00 0.00 N ATOM 720 CA ASN A 43 20.355 12.850 -1.963 1.00 0.00 C ATOM 721 C ASN A 43 21.254 12.386 -0.824 1.00 0.00 C ATOM 722 O ASN A 43 20.779 12.076 0.268 1.00 0.00 O ATOM 723 OXT ASN A 43 22.441 12.319 -0.986 1.00 0.00 O ATOM 724 CB ASN A 43 20.241 14.364 -1.970 1.00 0.00 C ATOM 725 CG ASN A 43 19.578 14.887 -3.214 1.00 0.00 C ATOM 726 OD1 ASN A 43 19.712 14.304 -4.296 1.00 0.00 O ATOM 727 ND2 ASN A 43 18.864 15.976 -3.081 1.00 0.00 N ATOM 728 H ASN A 43 18.254 12.793 -1.558 1.00 0.00 H ATOM 729 HA ASN A 43 20.813 12.553 -2.906 1.00 0.00 H ATOM 730 1HB ASN A 43 19.667 14.690 -1.102 1.00 0.00 H ATOM 731 2HB ASN A 43 21.235 14.804 -1.890 1.00 0.00 H ATOM 732 1HD2 ASN A 43 18.400 16.370 -3.875 1.00 0.00 H ATOM 733 2HD2 ASN A 43 18.783 16.414 -2.187 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE nods_bigger.blueprint.34_try58_pass_20150323112347_0001_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 rama omega fa_dun p_aa_pp ref total weights 0.8 0.44 0.75 0.004 0.7 1 1.17 1.17 1.17 1.1 1 0.2 0.5 0.56 0.32 1 NA pose -176.516 14.8561 103.747 0.27967 -24.7724 0.1413 -24.9249 -1.1978 -0.79801 -9.66966 0 -6.68021 2.47293 48.419 -5.60476 -14.6313 -94.8782 PRO:NtermProteinFull_1 -1.89423 0.19395 1.211 0.00654 0.0962 0.1413 0 0 0 0 0 0 0.05927 0.05841 0 -0.21929 -0.34685 GLU_2 -2.80679 0.27346 2.08396 0.00752 -0.70693 0 0 0 0 -0.48999 0 -0.10229 0.01589 2.22778 -0.10991 -1.55374 -1.16104 GLU_3 -3.63487 0.25025 2.68542 0.01008 -0.9517 0 0 0 0 -0.31365 0 -0.21218 0.00548 2.63405 -0.10043 -1.55374 -1.1813 ASP_4 -3.16138 0.22757 2.01436 0.00336 -0.2598 0 0 0 0 0 0 -0.12126 0.00053 1.28313 0.04579 -1.28682 -1.25451 LEU_5 -4.54017 0.4096 1.96263 0.00668 -0.1527 0 0 0 0 0 0 -0.12473 0.15456 0.19083 -0.12396 0.60233 -1.61493 ARG_6 -5.92631 0.33574 3.97238 0.00969 -1.91026 0 0 0 0 -1.01569 0 -0.17622 0.01016 1.73251 -0.08805 -0.14916 -3.20521 ARG_7 -4.2364 0.23294 2.98234 0.00785 -0.9793 0 0 0 0 -0.31365 0 -0.22966 0.07406 1.31176 -0.10631 -0.14916 -1.40553 LYS_8 -4.22283 0.32551 2.11325 0.0049 -0.17094 0 0 0 0 0 0 -0.16732 0.12651 0.97311 -0.04307 -0.28737 -1.34826 VAL_9 -5.60382 0.71683 1.95404 0.01628 -0.28357 0 0 0 0 0 0 0.10288 0.01109 0.02392 -0.03074 0.74484 -2.34824 GLU_10 -5.92097 0.35576 3.85151 0.00674 -1.21278 0 0 0 0 -0.644 0 -0.11431 0.00014 2.47915 -0.10304 -1.55374 -2.85555 GLU_11 -4.38028 0.44473 2.92979 0.00763 -1.14845 0 0 0 0 -0.50094 0 -0.10687 0.00232 2.33979 -0.0985 -1.55374 -2.06452 LEU_12 -6.01465 0.40967 2.54274 0.00651 -0.44948 0 0 0 0 0 0 -0.11997 0.05055 0.19473 -0.11962 0.60233 -2.89719 LEU_13 -5.41912 0.60845 1.85805 0.00708 0.01291 0 0 0 0 0 0 -0.14416 0.3256 0.11947 -0.12805 0.60233 -2.15744 ARG_14 -5.02448 0.45858 3.56812 0.00954 -1.063 0 0 0 0 -0.644 0 -0.22022 0.0179 1.59264 -0.09684 -0.14916 -1.55091 ARG_15 -3.32264 0.16576 2.19895 0.00959 -0.74925 0 0 0 0 -0.50094 0 -0.23266 0.0192 1.5175 -0.10453 -0.14916 -1.14819 GLY_16 -1.60727 0.27035 1.07062 1e-05 -0.22437 0 0 0 0 0 0 -0.10437 0.03396 0 -0.80816 0.14053 -1.22871 ASN_17 -3.57601 0.26871 2.14931 0.00469 -0.13742 0 0 0 0 0 0 -0.04953 0.02157 1.81828 -0.30526 -0.94198 -0.74763 GLU_18 -3.67446 0.48845 2.52105 0.00795 -1.02125 0 0 0 0 -0.54778 0 -0.08975 0.0622 2.18918 -0.10809 -1.55374 -1.72624 ASP_19 -2.67156 0.28023 1.75268 0.00336 -0.20519 0 0 0 0 0 0 -0.04352 0.01533 1.29355 0.04783 -1.28682 -0.81412 GLU_20 -4.23754 0.42993 2.62168 0.00526 -0.95513 0 0 0 0 -0.3725 0 -0.23553 0.08622 2.42671 -0.17008 -1.55374 -1.95473 ALA_21 -4.78421 0.38448 2.03293 0.00074 -0.23464 0 0 0 0 0 0 -0.18023 0.02957 0 -0.19108 0.59294 -2.34951 ARG_22 -6.27658 0.40957 4.43434 0.00968 -1.87611 0 0 0 0 -0.93164 0 -0.21263 0.05969 1.58983 -0.09658 -0.14916 -3.0396 LYS_23 -4.41261 0.36303 2.94128 0.0031 -1.07083 0 0 0 0 -0.3725 0 -0.14004 0.0083 0.94927 -0.0377 -0.28737 -2.05607 VAL_24 -4.68827 0.42573 1.90038 0.01591 -0.31491 0 0 0 0 0 0 -0.04652 0.02724 0.00909 -7e-05 0.74484 -1.92658 ALA_25 -4.46656 0.2947 1.96836 0.00073 -0.39993 0 0 0 0 0 0 -0.13467 0.00308 0 -0.17152 0.59294 -2.31286 LYS_26 -2.70451 0.23983 1.5181 0.00308 -0.00711 0 0 0 0 0 0 -0.19833 0.00929 0.82271 -0.04664 -0.28737 -0.65096 LYS_27 -2.17335 0.15489 1.22825 0.0031 0.05007 0 0 0 0 0 0 -0.22784 0.00836 0.75091 -0.03026 -0.28737 -0.52324 ALA_28 -2.47644 0.23829 0.85844 0.00074 -0.07007 0 0 0 0 0 0 -0.1996 0.17084 0 -0.07214 0.59294 -0.95699 GLY_29 -1.33484 0.11496 0.91861 1e-05 0.08575 0 0 0 0 0 0 -0.18482 0.00303 0 -0.80692 0.14053 -1.06369 ILE_30 -4.21636 0.46429 1.48715 0.01748 -0.02607 0 0 0 0 0 0 -0.27734 0.02762 0.20305 -0.23956 0.8318 -1.72794 SER_31 -3.04117 0.34709 2.48163 0.00151 -1.08584 0 0 0 -0.399 -0.34128 0 -0.25149 0.05073 0.06736 -0.27709 0.17658 -2.27097 GLU_32 -3.33663 0.29073 2.57006 0.00832 -1.14406 0 0 0 0 -0.38386 0 -0.25647 6e-05 2.6016 -0.13486 -1.55374 -1.33885 GLU_33 -3.16837 0.2298 2.40042 0.00511 -0.98118 0 0 0 0 -0.21809 0 -0.23513 0.28109 2.35536 -0.16709 -1.55374 -1.05183 GLU_34 -5.05174 0.50965 3.89351 0.00253 -1.83039 0 0 0 -0.399 -0.86698 0 -0.24108 0.14313 3.06287 -0.13517 -1.55374 -2.4664 TRP_35 -8.40892 0.63889 4.50565 0.02659 -0.25408 0 0 0 0 0 0 -0.1651 0.07677 1.27575 -0.02048 0.92933 -1.3956 LYS_36 -4.98172 0.49666 3.17672 0.00312 -1.19699 0 0 0 0 -0.21809 0 -0.15712 0.10786 0.93809 -0.04411 -0.28737 -2.16295 GLU_37 -4.27395 0.38864 2.85403 0.00773 -1.03974 0 0 0 0 -0.49704 0 -0.13323 0.00189 2.37767 -0.10169 -1.55374 -1.96944 LEU_38 -5.65448 0.33464 2.257 0.00668 -0.3071 0 0 0 0 0 0 -0.11975 0.17551 0.16275 -0.116 0.60233 -2.65843 LYS_39 -4.67646 0.54219 2.46644 0.00541 -0.14204 0 0 0 0 0 0 -0.16501 0.0521 0.91812 -0.042 -0.28737 -1.32861 LYS_40 -3.23755 0.18422 1.89333 0.00312 0.08999 0 0 0 0 0 0 -0.23372 0.09771 0.75932 -0.04528 -0.28737 -0.77626 ARG_41 -4.50804 0.29128 3.35185 0.00957 -0.91527 0 0 0 0 -0.49704 0 -0.21151 0.0458 1.56469 -0.10492 -0.14916 -1.12275 ALA_42 -4.1439 0.26079 2.33893 0.00074 0.06061 0 0 0 0 0 0 -0.21689 0.00074 0 -0.17261 0.59294 -1.27865 ASN:CtermProteinFull_43 -2.62306 0.10529 2.22609 0.00344 0.30995 0 0 0 0 0 0 0 0 1.60405 0 -0.94198 0.68378 #END_POSE_ENERGIES_TABLE nods_bigger.blueprint.34_try58_pass_20150323112347_0001_0001.pdb AlaCount 4 bb -0.0278493 buried_minus_exposed 3623.5 buried_np 5189.75 buried_over_exposed 3.31347 cavity_volume 0 contact_all 204 contact_core_SASA 204 contact_core_SCN 204 degree 10.1628 degree_core_SASA 10.1628 degree_core_SCN 10.1628 exposed_hydrophobics 1566.25 holes 0.376386 mismatch_probability 0.084559 one_core_each 1 pack 0.676578 percent_core_SASA 0.116252 percent_core_SCN 0.139502 res_count_core_SASA 5 res_count_core_SCN 6 ss_sc 0.795275 two_core_each 0.333333 unsat_hbond 3
HHH_rd1_0061.pdb
ATOM 1 N PRO A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA PRO A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C PRO A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O PRO A 1 2.794 1.792 -0.872 1.00 0.00 O ATOM 5 CB PRO A 1 1.803 -0.740 -1.297 1.00 0.00 C ATOM 6 CG PRO A 1 0.691 -0.388 -2.225 1.00 0.00 C ATOM 7 CD PRO A 1 -0.534 -0.363 -1.350 1.00 0.00 C ATOM 8 1H PRO A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 9 2H PRO A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 10 HA PRO A 1 1.820 -0.555 0.878 1.00 0.00 H ATOM 11 1HB PRO A 1 2.786 -0.414 -1.666 1.00 0.00 H ATOM 12 2HB PRO A 1 1.873 -1.821 -1.106 1.00 0.00 H ATOM 13 1HG PRO A 1 0.888 0.583 -2.704 1.00 0.00 H ATOM 14 2HG PRO A 1 0.620 -1.131 -3.032 1.00 0.00 H ATOM 15 1HD PRO A 1 -1.235 0.399 -1.720 1.00 0.00 H ATOM 16 2HD PRO A 1 -1.006 -1.357 -1.351 1.00 0.00 H ATOM 17 N GLU A 2 1.593 2.211 0.984 1.00 0.00 N ATOM 18 CA GLU A 2 1.992 3.611 1.062 1.00 0.00 C ATOM 19 C GLU A 2 3.507 3.750 1.125 1.00 0.00 C ATOM 20 O GLU A 2 4.101 4.527 0.377 1.00 0.00 O ATOM 21 CB GLU A 2 1.357 4.279 2.284 1.00 0.00 C ATOM 22 CG GLU A 2 1.732 5.743 2.465 1.00 0.00 C ATOM 23 CD GLU A 2 1.111 6.358 3.688 1.00 0.00 C ATOM 24 OE1 GLU A 2 0.255 5.738 4.273 1.00 0.00 O ATOM 25 OE2 GLU A 2 1.493 7.450 4.039 1.00 0.00 O ATOM 26 H GLU A 2 0.985 1.832 1.696 1.00 0.00 H ATOM 27 HA GLU A 2 1.630 4.124 0.170 1.00 0.00 H ATOM 28 1HB GLU A 2 0.272 4.218 2.210 1.00 0.00 H ATOM 29 2HB GLU A 2 1.654 3.744 3.186 1.00 0.00 H ATOM 30 1HG GLU A 2 2.816 5.823 2.543 1.00 0.00 H ATOM 31 2HG GLU A 2 1.416 6.300 1.584 1.00 0.00 H ATOM 32 N ASP A 3 4.129 2.991 2.021 1.00 0.00 N ATOM 33 CA ASP A 3 5.574 3.051 2.205 1.00 0.00 C ATOM 34 C ASP A 3 6.308 2.728 0.910 1.00 0.00 C ATOM 35 O ASP A 3 7.301 3.373 0.571 1.00 0.00 O ATOM 36 CB ASP A 3 6.016 2.082 3.304 1.00 0.00 C ATOM 37 CG ASP A 3 5.608 2.541 4.698 1.00 0.00 C ATOM 38 OD1 ASP A 3 5.261 3.688 4.846 1.00 0.00 O ATOM 39 OD2 ASP A 3 5.647 1.739 5.601 1.00 0.00 O ATOM 40 H ASP A 3 3.587 2.356 2.589 1.00 0.00 H ATOM 41 HA ASP A 3 5.841 4.062 2.516 1.00 0.00 H ATOM 42 1HB ASP A 3 5.581 1.099 3.120 1.00 0.00 H ATOM 43 2HB ASP A 3 7.100 1.970 3.277 1.00 0.00 H ATOM 44 N LEU A 4 5.815 1.727 0.190 1.00 0.00 N ATOM 45 CA LEU A 4 6.424 1.316 -1.069 1.00 0.00 C ATOM 46 C LEU A 4 6.274 2.397 -2.132 1.00 0.00 C ATOM 47 O LEU A 4 7.175 2.612 -2.943 1.00 0.00 O ATOM 48 CB LEU A 4 5.789 0.011 -1.565 1.00 0.00 C ATOM 49 CG LEU A 4 6.082 -1.235 -0.719 1.00 0.00 C ATOM 50 CD1 LEU A 4 5.275 -2.412 -1.251 1.00 0.00 C ATOM 51 CD2 LEU A 4 7.574 -1.534 -0.755 1.00 0.00 C ATOM 52 H LEU A 4 4.997 1.237 0.524 1.00 0.00 H ATOM 53 HA LEU A 4 7.487 1.139 -0.898 1.00 0.00 H ATOM 54 1HB LEU A 4 4.708 0.141 -1.598 1.00 0.00 H ATOM 55 2HB LEU A 4 6.141 -0.185 -2.577 1.00 0.00 H ATOM 56 HG LEU A 4 5.772 -1.057 0.311 1.00 0.00 H ATOM 57 1HD1 LEU A 4 5.484 -3.297 -0.649 1.00 0.00 H ATOM 58 2HD1 LEU A 4 4.212 -2.179 -1.195 1.00 0.00 H ATOM 59 3HD1 LEU A 4 5.552 -2.604 -2.287 1.00 0.00 H ATOM 60 1HD2 LEU A 4 7.782 -2.419 -0.153 1.00 0.00 H ATOM 61 2HD2 LEU A 4 7.884 -1.713 -1.785 1.00 0.00 H ATOM 62 3HD2 LEU A 4 8.125 -0.683 -0.353 1.00 0.00 H ATOM 63 N LYS A 5 5.131 3.074 -2.123 1.00 0.00 N ATOM 64 CA LYS A 5 4.893 4.187 -3.033 1.00 0.00 C ATOM 65 C LYS A 5 5.854 5.337 -2.760 1.00 0.00 C ATOM 66 O LYS A 5 6.382 5.951 -3.687 1.00 0.00 O ATOM 67 CB LYS A 5 3.447 4.672 -2.919 1.00 0.00 C ATOM 68 CG LYS A 5 2.416 3.725 -3.520 1.00 0.00 C ATOM 69 CD LYS A 5 1.008 4.284 -3.387 1.00 0.00 C ATOM 70 CE LYS A 5 -0.018 3.363 -4.031 1.00 0.00 C ATOM 71 NZ LYS A 5 -1.356 4.005 -4.135 1.00 0.00 N ATOM 72 H LYS A 5 4.408 2.810 -1.468 1.00 0.00 H ATOM 73 HA LYS A 5 5.047 3.838 -4.055 1.00 0.00 H ATOM 74 1HB LYS A 5 3.193 4.819 -1.869 1.00 0.00 H ATOM 75 2HB LYS A 5 3.346 5.636 -3.418 1.00 0.00 H ATOM 76 1HG LYS A 5 2.638 3.569 -4.577 1.00 0.00 H ATOM 77 2HG LYS A 5 2.466 2.763 -3.011 1.00 0.00 H ATOM 78 1HD LYS A 5 0.763 4.406 -2.331 1.00 0.00 H ATOM 79 2HD LYS A 5 0.957 5.261 -3.868 1.00 0.00 H ATOM 80 1HE LYS A 5 0.318 3.087 -5.030 1.00 0.00 H ATOM 81 2HE LYS A 5 -0.111 2.452 -3.439 1.00 0.00 H ATOM 82 1HZ LYS A 5 -2.006 3.363 -4.565 1.00 0.00 H ATOM 83 2HZ LYS A 5 -1.686 4.249 -3.211 1.00 0.00 H ATOM 84 3HZ LYS A 5 -1.286 4.841 -4.698 1.00 0.00 H ATOM 85 N ARG A 6 6.076 5.625 -1.482 1.00 0.00 N ATOM 86 CA ARG A 6 6.968 6.708 -1.084 1.00 0.00 C ATOM 87 C ARG A 6 8.405 6.417 -1.496 1.00 0.00 C ATOM 88 O ARG A 6 9.116 7.302 -1.973 1.00 0.00 O ATOM 89 CB ARG A 6 6.909 6.925 0.421 1.00 0.00 C ATOM 90 CG ARG A 6 5.609 7.528 0.929 1.00 0.00 C ATOM 91 CD ARG A 6 5.628 7.712 2.403 1.00 0.00 C ATOM 92 NE ARG A 6 4.355 8.204 2.905 1.00 0.00 N ATOM 93 CZ ARG A 6 3.990 9.501 2.925 1.00 0.00 C ATOM 94 NH1 ARG A 6 4.810 10.422 2.468 1.00 0.00 N ATOM 95 NH2 ARG A 6 2.808 9.847 3.403 1.00 0.00 N ATOM 96 H ARG A 6 5.616 5.079 -0.767 1.00 0.00 H ATOM 97 HA ARG A 6 6.641 7.624 -1.578 1.00 0.00 H ATOM 98 1HB ARG A 6 7.052 5.973 0.931 1.00 0.00 H ATOM 99 2HB ARG A 6 7.720 7.585 0.725 1.00 0.00 H ATOM 100 1HG ARG A 6 5.453 8.501 0.464 1.00 0.00 H ATOM 101 2HG ARG A 6 4.778 6.868 0.677 1.00 0.00 H ATOM 102 1HD ARG A 6 5.840 6.759 2.886 1.00 0.00 H ATOM 103 2HD ARG A 6 6.401 8.433 2.669 1.00 0.00 H ATOM 104 HE ARG A 6 3.698 7.525 3.264 1.00 0.00 H ATOM 105 1HH1 ARG A 6 5.714 10.157 2.103 1.00 0.00 H ATOM 106 2HH1 ARG A 6 4.536 11.393 2.483 1.00 0.00 H ATOM 107 1HH2 ARG A 6 2.177 9.139 3.753 1.00 0.00 H ATOM 108 2HH2 ARG A 6 2.534 10.818 3.417 1.00 0.00 H ATOM 109 N GLU A 7 8.829 5.171 -1.308 1.00 0.00 N ATOM 110 CA GLU A 7 10.178 4.758 -1.675 1.00 0.00 C ATOM 111 C GLU A 7 10.333 4.662 -3.187 1.00 0.00 C ATOM 112 O GLU A 7 11.394 4.967 -3.733 1.00 0.00 O ATOM 113 CB GLU A 7 10.516 3.411 -1.032 1.00 0.00 C ATOM 114 CG GLU A 7 10.647 3.453 0.484 1.00 0.00 C ATOM 115 CD GLU A 7 11.722 4.395 0.952 1.00 0.00 C ATOM 116 OE1 GLU A 7 12.809 4.331 0.431 1.00 0.00 O ATOM 117 OE2 GLU A 7 11.455 5.179 1.832 1.00 0.00 O ATOM 118 H GLU A 7 8.200 4.494 -0.901 1.00 0.00 H ATOM 119 HA GLU A 7 10.882 5.500 -1.297 1.00 0.00 H ATOM 120 1HB GLU A 7 9.742 2.684 -1.280 1.00 0.00 H ATOM 121 2HB GLU A 7 11.457 3.039 -1.439 1.00 0.00 H ATOM 122 1HG GLU A 7 9.695 3.765 0.912 1.00 0.00 H ATOM 123 2HG GLU A 7 10.866 2.450 0.848 1.00 0.00 H ATOM 124 N ALA A 8 9.269 4.237 -3.860 1.00 0.00 N ATOM 125 CA ALA A 8 9.243 4.215 -5.318 1.00 0.00 C ATOM 126 C ALA A 8 9.367 5.621 -5.892 1.00 0.00 C ATOM 127 O ALA A 8 10.042 5.833 -6.899 1.00 0.00 O ATOM 128 CB ALA A 8 7.968 3.551 -5.815 1.00 0.00 C ATOM 129 H ALA A 8 8.458 3.921 -3.349 1.00 0.00 H ATOM 130 HA ALA A 8 10.085 3.618 -5.670 1.00 0.00 H ATOM 131 1HB ALA A 8 7.963 3.542 -6.905 1.00 0.00 H ATOM 132 2HB ALA A 8 7.922 2.527 -5.444 1.00 0.00 H ATOM 133 3HB ALA A 8 7.104 4.106 -5.453 1.00 0.00 H ATOM 134 N GLU A 9 8.711 6.578 -5.245 1.00 0.00 N ATOM 135 CA GLU A 9 8.854 7.983 -5.607 1.00 0.00 C ATOM 136 C GLU A 9 10.301 8.442 -5.472 1.00 0.00 C ATOM 137 O GLU A 9 10.845 9.082 -6.371 1.00 0.00 O ATOM 138 CB GLU A 9 7.950 8.854 -4.732 1.00 0.00 C ATOM 139 CG GLU A 9 8.038 10.345 -5.025 1.00 0.00 C ATOM 140 CD GLU A 9 7.150 11.170 -4.135 1.00 0.00 C ATOM 141 OE1 GLU A 9 6.325 10.602 -3.461 1.00 0.00 O ATOM 142 OE2 GLU A 9 7.296 12.369 -4.131 1.00 0.00 O ATOM 143 H GLU A 9 8.097 6.326 -4.484 1.00 0.00 H ATOM 144 HA GLU A 9 8.543 8.107 -6.645 1.00 0.00 H ATOM 145 1HB GLU A 9 6.912 8.548 -4.865 1.00 0.00 H ATOM 146 2HB GLU A 9 8.203 8.703 -3.683 1.00 0.00 H ATOM 147 1HG GLU A 9 9.070 10.670 -4.890 1.00 0.00 H ATOM 148 2HG GLU A 9 7.764 10.518 -6.065 1.00 0.00 H ATOM 149 N LYS A 10 10.919 8.111 -4.343 1.00 0.00 N ATOM 150 CA LYS A 10 12.324 8.426 -4.119 1.00 0.00 C ATOM 151 C LYS A 10 13.197 7.883 -5.243 1.00 0.00 C ATOM 152 O LYS A 10 14.049 8.592 -5.778 1.00 0.00 O ATOM 153 CB LYS A 10 12.790 7.866 -2.774 1.00 0.00 C ATOM 154 CG LYS A 10 12.204 8.575 -1.560 1.00 0.00 C ATOM 155 CD LYS A 10 12.658 7.919 -0.264 1.00 0.00 C ATOM 156 CE LYS A 10 11.978 8.548 0.943 1.00 0.00 C ATOM 157 NZ LYS A 10 12.354 7.866 2.211 1.00 0.00 N ATOM 158 H LYS A 10 10.401 7.628 -3.623 1.00 0.00 H ATOM 159 HA LYS A 10 12.434 9.510 -4.083 1.00 0.00 H ATOM 160 1HB LYS A 10 12.523 6.811 -2.706 1.00 0.00 H ATOM 161 2HB LYS A 10 13.876 7.933 -2.708 1.00 0.00 H ATOM 162 1HG LYS A 10 12.521 9.618 -1.560 1.00 0.00 H ATOM 163 2HG LYS A 10 11.116 8.544 -1.611 1.00 0.00 H ATOM 164 1HD LYS A 10 12.420 6.855 -0.292 1.00 0.00 H ATOM 165 2HD LYS A 10 13.737 8.029 -0.160 1.00 0.00 H ATOM 166 1HE LYS A 10 12.259 9.598 1.013 1.00 0.00 H ATOM 167 2HE LYS A 10 10.896 8.491 0.822 1.00 0.00 H ATOM 168 1HZ LYS A 10 11.883 8.311 2.986 1.00 0.00 H ATOM 169 2HZ LYS A 10 12.080 6.894 2.165 1.00 0.00 H ATOM 170 3HZ LYS A 10 13.353 7.928 2.344 1.00 0.00 H ATOM 171 N LEU A 11 12.980 6.620 -5.596 1.00 0.00 N ATOM 172 CA LEU A 11 13.715 5.994 -6.688 1.00 0.00 C ATOM 173 C LEU A 11 13.468 6.717 -8.006 1.00 0.00 C ATOM 174 O LEU A 11 14.396 6.957 -8.777 1.00 0.00 O ATOM 175 CB LEU A 11 13.311 4.520 -6.822 1.00 0.00 C ATOM 176 CG LEU A 11 13.757 3.601 -5.678 1.00 0.00 C ATOM 177 CD1 LEU A 11 13.096 2.238 -5.834 1.00 0.00 C ATOM 178 CD2 LEU A 11 15.274 3.477 -5.689 1.00 0.00 C ATOM 179 H LEU A 11 12.288 6.081 -5.096 1.00 0.00 H ATOM 180 HA LEU A 11 14.781 6.039 -6.459 1.00 0.00 H ATOM 181 1HB LEU A 11 12.226 4.463 -6.889 1.00 0.00 H ATOM 182 2HB LEU A 11 13.732 4.127 -7.747 1.00 0.00 H ATOM 183 HG LEU A 11 13.434 4.022 -4.726 1.00 0.00 H ATOM 184 1HD1 LEU A 11 13.413 1.585 -5.021 1.00 0.00 H ATOM 185 2HD1 LEU A 11 12.012 2.354 -5.803 1.00 0.00 H ATOM 186 3HD1 LEU A 11 13.388 1.799 -6.787 1.00 0.00 H ATOM 187 1HD2 LEU A 11 15.591 2.824 -4.875 1.00 0.00 H ATOM 188 2HD2 LEU A 11 15.598 3.055 -6.640 1.00 0.00 H ATOM 189 3HD2 LEU A 11 15.720 4.463 -5.558 1.00 0.00 H ATOM 190 N TRP A 12 12.210 7.061 -8.258 1.00 0.00 N ATOM 191 CA TRP A 12 11.844 7.799 -9.462 1.00 0.00 C ATOM 192 C TRP A 12 12.578 9.131 -9.536 1.00 0.00 C ATOM 193 O TRP A 12 13.067 9.524 -10.595 1.00 0.00 O ATOM 194 CB TRP A 12 10.334 8.042 -9.500 1.00 0.00 C ATOM 195 CG TRP A 12 9.845 8.561 -10.818 1.00 0.00 C ATOM 196 CD1 TRP A 12 9.378 9.814 -11.078 1.00 0.00 C ATOM 197 CD2 TRP A 12 9.772 7.838 -12.071 1.00 0.00 C ATOM 198 NE1 TRP A 12 9.020 9.922 -12.399 1.00 0.00 N ATOM 199 CE2 TRP A 12 9.256 8.722 -13.022 1.00 0.00 C ATOM 200 CE3 TRP A 12 10.099 6.532 -12.456 1.00 0.00 C ATOM 201 CZ2 TRP A 12 9.054 8.346 -14.341 1.00 0.00 C ATOM 202 CZ3 TRP A 12 9.898 6.155 -13.778 1.00 0.00 C ATOM 203 CH2 TRP A 12 9.390 7.039 -14.696 1.00 0.00 C ATOM 204 H TRP A 12 11.488 6.805 -7.600 1.00 0.00 H ATOM 205 HA TRP A 12 12.118 7.200 -10.331 1.00 0.00 H ATOM 206 1HB TRP A 12 9.810 7.111 -9.283 1.00 0.00 H ATOM 207 2HB TRP A 12 10.061 8.759 -8.727 1.00 0.00 H ATOM 208 HD1 TRP A 12 9.300 10.615 -10.344 1.00 0.00 H ATOM 209 HE1 TRP A 12 8.643 10.748 -12.841 1.00 0.00 H ATOM 210 HE3 TRP A 12 10.506 5.827 -11.732 1.00 0.00 H ATOM 211 HZ2 TRP A 12 8.651 9.033 -15.085 1.00 0.00 H ATOM 212 HZ3 TRP A 12 10.155 5.136 -14.069 1.00 0.00 H ATOM 213 HH2 TRP A 12 9.245 6.710 -15.725 1.00 0.00 H ATOM 214 N ARG A 13 12.653 9.823 -8.404 1.00 0.00 N ATOM 215 CA ARG A 13 13.331 11.112 -8.338 1.00 0.00 C ATOM 216 C ARG A 13 14.839 10.949 -8.481 1.00 0.00 C ATOM 217 O ARG A 13 15.543 11.891 -8.846 1.00 0.00 O ATOM 218 CB ARG A 13 13.023 11.812 -7.022 1.00 0.00 C ATOM 219 CG ARG A 13 11.590 12.301 -6.878 1.00 0.00 C ATOM 220 CD ARG A 13 11.371 12.982 -5.577 1.00 0.00 C ATOM 221 NE ARG A 13 9.980 13.363 -5.392 1.00 0.00 N ATOM 222 CZ ARG A 13 9.424 14.490 -5.877 1.00 0.00 C ATOM 223 NH1 ARG A 13 10.152 15.335 -6.573 1.00 0.00 N ATOM 224 NH2 ARG A 13 8.147 14.746 -5.654 1.00 0.00 N ATOM 225 H ARG A 13 12.229 9.447 -7.568 1.00 0.00 H ATOM 226 HA ARG A 13 12.968 11.737 -9.154 1.00 0.00 H ATOM 227 1HB ARG A 13 13.225 11.135 -6.194 1.00 0.00 H ATOM 228 2HB ARG A 13 13.679 12.675 -6.907 1.00 0.00 H ATOM 229 1HG ARG A 13 11.365 13.007 -7.677 1.00 0.00 H ATOM 230 2HG ARG A 13 10.908 11.452 -6.940 1.00 0.00 H ATOM 231 1HD ARG A 13 11.652 12.313 -4.764 1.00 0.00 H ATOM 232 2HD ARG A 13 11.980 13.884 -5.531 1.00 0.00 H ATOM 233 HE ARG A 13 9.388 12.737 -4.861 1.00 0.00 H ATOM 234 1HH1 ARG A 13 11.128 15.139 -6.744 1.00 0.00 H ATOM 235 2HH1 ARG A 13 9.735 16.179 -6.937 1.00 0.00 H ATOM 236 1HH2 ARG A 13 7.587 14.096 -5.119 1.00 0.00 H ATOM 237 2HH2 ARG A 13 7.730 15.590 -6.018 1.00 0.00 H ATOM 238 N ASN A 14 15.329 9.749 -8.193 1.00 0.00 N ATOM 239 CA ASN A 14 16.747 9.443 -8.344 1.00 0.00 C ATOM 240 C ASN A 14 17.067 9.006 -9.768 1.00 0.00 C ATOM 241 O ASN A 14 18.209 8.670 -10.082 1.00 0.00 O ATOM 242 CB ASN A 14 17.173 8.379 -7.350 1.00 0.00 C ATOM 243 CG ASN A 14 17.207 8.890 -5.936 1.00 0.00 C ATOM 244 OD1 ASN A 14 17.464 10.075 -5.697 1.00 0.00 O ATOM 245 ND2 ASN A 14 16.953 8.018 -4.994 1.00 0.00 N ATOM 246 H ASN A 14 14.704 9.029 -7.860 1.00 0.00 H ATOM 247 HA ASN A 14 17.320 10.348 -8.136 1.00 0.00 H ATOM 248 1HB ASN A 14 16.484 7.535 -7.402 1.00 0.00 H ATOM 249 2HB ASN A 14 18.164 8.010 -7.614 1.00 0.00 H ATOM 250 1HD2 ASN A 14 16.962 8.301 -4.034 1.00 0.00 H ATOM 251 2HD2 ASN A 14 16.751 7.069 -5.233 1.00 0.00 H ATOM 252 N GLY A 15 16.053 9.012 -10.626 1.00 0.00 N ATOM 253 CA GLY A 15 16.242 8.705 -12.038 1.00 0.00 C ATOM 254 C GLY A 15 16.230 7.201 -12.281 1.00 0.00 C ATOM 255 O GLY A 15 16.816 6.714 -13.247 1.00 0.00 O ATOM 256 H GLY A 15 15.127 9.236 -10.291 1.00 0.00 H ATOM 257 1HA GLY A 15 15.453 9.178 -12.623 1.00 0.00 H ATOM 258 2HA GLY A 15 17.188 9.124 -12.378 1.00 0.00 H ATOM 259 N VAL A 16 15.558 6.470 -11.398 1.00 0.00 N ATOM 260 CA VAL A 16 15.437 5.023 -11.535 1.00 0.00 C ATOM 261 C VAL A 16 14.235 4.649 -12.392 1.00 0.00 C ATOM 262 O VAL A 16 13.139 5.176 -12.205 1.00 0.00 O ATOM 263 CB VAL A 16 15.301 4.365 -10.149 1.00 0.00 C ATOM 264 CG1 VAL A 16 15.132 2.860 -10.289 1.00 0.00 C ATOM 265 CG2 VAL A 16 16.516 4.695 -9.297 1.00 0.00 C ATOM 266 H VAL A 16 15.119 6.928 -10.612 1.00 0.00 H ATOM 267 HA VAL A 16 16.330 4.648 -12.035 1.00 0.00 H ATOM 268 HB VAL A 16 14.402 4.746 -9.664 1.00 0.00 H ATOM 269 1HG1 VAL A 16 15.037 2.411 -9.300 1.00 0.00 H ATOM 270 2HG1 VAL A 16 14.236 2.646 -10.871 1.00 0.00 H ATOM 271 3HG1 VAL A 16 16.003 2.442 -10.793 1.00 0.00 H ATOM 272 1HG2 VAL A 16 16.413 4.228 -8.318 1.00 0.00 H ATOM 273 2HG2 VAL A 16 17.416 4.320 -9.785 1.00 0.00 H ATOM 274 3HG2 VAL A 16 16.593 5.776 -9.176 1.00 0.00 H ATOM 275 N SER A 17 14.448 3.736 -13.334 1.00 0.00 N ATOM 276 CA SER A 17 13.437 3.418 -14.335 1.00 0.00 C ATOM 277 C SER A 17 12.288 2.624 -13.724 1.00 0.00 C ATOM 278 O SER A 17 12.410 2.086 -12.624 1.00 0.00 O ATOM 279 CB SER A 17 14.057 2.631 -15.473 1.00 0.00 C ATOM 280 OG SER A 17 14.458 1.359 -15.044 1.00 0.00 O ATOM 281 H SER A 17 15.333 3.251 -13.358 1.00 0.00 H ATOM 282 HA SER A 17 13.035 4.351 -14.731 1.00 0.00 H ATOM 283 1HB SER A 17 13.336 2.534 -16.284 1.00 0.00 H ATOM 284 2HB SER A 17 14.917 3.173 -15.863 1.00 0.00 H ATOM 285 HG SER A 17 15.241 1.495 -14.505 1.00 0.00 H ATOM 286 N LYS A 18 11.174 2.556 -14.444 1.00 0.00 N ATOM 287 CA LYS A 18 10.010 1.807 -13.986 1.00 0.00 C ATOM 288 C LYS A 18 10.363 0.350 -13.719 1.00 0.00 C ATOM 289 O LYS A 18 9.949 -0.225 -12.712 1.00 0.00 O ATOM 290 CB LYS A 18 8.879 1.895 -15.011 1.00 0.00 C ATOM 291 CG LYS A 18 8.238 3.272 -15.124 1.00 0.00 C ATOM 292 CD LYS A 18 7.161 3.293 -16.199 1.00 0.00 C ATOM 293 CE LYS A 18 6.582 4.690 -16.376 1.00 0.00 C ATOM 294 NZ LYS A 18 5.640 4.760 -17.525 1.00 0.00 N ATOM 295 H LYS A 18 11.132 3.035 -15.333 1.00 0.00 H ATOM 296 HA LYS A 18 9.653 2.256 -13.058 1.00 0.00 H ATOM 297 1HB LYS A 18 9.258 1.620 -15.996 1.00 0.00 H ATOM 298 2HB LYS A 18 8.096 1.182 -14.751 1.00 0.00 H ATOM 299 1HG LYS A 18 7.791 3.545 -14.168 1.00 0.00 H ATOM 300 2HG LYS A 18 9.001 4.009 -15.372 1.00 0.00 H ATOM 301 1HD LYS A 18 7.585 2.962 -17.147 1.00 0.00 H ATOM 302 2HD LYS A 18 6.357 2.611 -15.922 1.00 0.00 H ATOM 303 1HE LYS A 18 6.054 4.982 -15.470 1.00 0.00 H ATOM 304 2HE LYS A 18 7.392 5.400 -16.543 1.00 0.00 H ATOM 305 1HZ LYS A 18 5.280 5.700 -17.609 1.00 0.00 H ATOM 306 2HZ LYS A 18 6.125 4.508 -18.375 1.00 0.00 H ATOM 307 3HZ LYS A 18 4.874 4.119 -17.373 1.00 0.00 H ATOM 308 N GLU A 19 11.130 -0.244 -14.627 1.00 0.00 N ATOM 309 CA GLU A 19 11.461 -1.662 -14.542 1.00 0.00 C ATOM 310 C GLU A 19 12.310 -1.957 -13.312 1.00 0.00 C ATOM 311 O GLU A 19 12.116 -2.969 -12.640 1.00 0.00 O ATOM 312 CB GLU A 19 12.198 -2.114 -15.804 1.00 0.00 C ATOM 313 CG GLU A 19 11.350 -2.098 -17.068 1.00 0.00 C ATOM 314 CD GLU A 19 10.184 -3.045 -17.002 1.00 0.00 C ATOM 315 OE1 GLU A 19 10.355 -4.134 -16.511 1.00 0.00 O ATOM 316 OE2 GLU A 19 9.121 -2.678 -17.445 1.00 0.00 O ATOM 317 H GLU A 19 11.494 0.301 -15.395 1.00 0.00 H ATOM 318 HA GLU A 19 10.532 -2.230 -14.470 1.00 0.00 H ATOM 319 1HB GLU A 19 13.061 -1.470 -15.972 1.00 0.00 H ATOM 320 2HB GLU A 19 12.570 -3.129 -15.664 1.00 0.00 H ATOM 321 1HG GLU A 19 10.974 -1.088 -17.227 1.00 0.00 H ATOM 322 2HG GLU A 19 11.978 -2.360 -17.918 1.00 0.00 H ATOM 323 N GLU A 20 13.253 -1.066 -13.023 1.00 0.00 N ATOM 324 CA GLU A 20 14.125 -1.222 -11.865 1.00 0.00 C ATOM 325 C GLU A 20 13.338 -1.123 -10.565 1.00 0.00 C ATOM 326 O GLU A 20 13.584 -1.873 -9.621 1.00 0.00 O ATOM 327 CB GLU A 20 15.232 -0.166 -11.885 1.00 0.00 C ATOM 328 CG GLU A 20 16.304 -0.398 -12.940 1.00 0.00 C ATOM 329 CD GLU A 20 17.216 0.784 -13.118 1.00 0.00 C ATOM 330 OE1 GLU A 20 16.729 1.845 -13.426 1.00 0.00 O ATOM 331 OE2 GLU A 20 18.402 0.625 -12.945 1.00 0.00 O ATOM 332 H GLU A 20 13.368 -0.260 -13.621 1.00 0.00 H ATOM 333 HA GLU A 20 14.594 -2.206 -11.916 1.00 0.00 H ATOM 334 1HB GLU A 20 14.794 0.816 -12.064 1.00 0.00 H ATOM 335 2HB GLU A 20 15.722 -0.134 -10.912 1.00 0.00 H ATOM 336 1HG GLU A 20 16.902 -1.263 -12.652 1.00 0.00 H ATOM 337 2HG GLU A 20 15.822 -0.625 -13.890 1.00 0.00 H ATOM 338 N ILE A 21 12.391 -0.192 -10.523 1.00 0.00 N ATOM 339 CA ILE A 21 11.539 -0.019 -9.352 1.00 0.00 C ATOM 340 C ILE A 21 10.631 -1.226 -9.149 1.00 0.00 C ATOM 341 O ILE A 21 10.461 -1.705 -8.028 1.00 0.00 O ATOM 342 CB ILE A 21 10.681 1.253 -9.480 1.00 0.00 C ATOM 343 CG1 ILE A 21 11.567 2.501 -9.429 1.00 0.00 C ATOM 344 CG2 ILE A 21 9.628 1.298 -8.384 1.00 0.00 C ATOM 345 CD1 ILE A 21 10.847 3.776 -9.804 1.00 0.00 C ATOM 346 H ILE A 21 12.258 0.411 -11.322 1.00 0.00 H ATOM 347 HA ILE A 21 12.175 0.091 -8.474 1.00 0.00 H ATOM 348 HB ILE A 21 10.183 1.260 -10.450 1.00 0.00 H ATOM 349 1HG1 ILE A 21 11.970 2.620 -8.423 1.00 0.00 H ATOM 350 2HG1 ILE A 21 12.412 2.376 -10.106 1.00 0.00 H ATOM 351 1HG2 ILE A 21 9.032 2.204 -8.489 1.00 0.00 H ATOM 352 2HG2 ILE A 21 8.981 0.426 -8.466 1.00 0.00 H ATOM 353 3HG2 ILE A 21 10.117 1.296 -7.410 1.00 0.00 H ATOM 354 1HD1 ILE A 21 11.540 4.616 -9.744 1.00 0.00 H ATOM 355 2HD1 ILE A 21 10.465 3.693 -10.822 1.00 0.00 H ATOM 356 3HD1 ILE A 21 10.018 3.941 -9.118 1.00 0.00 H ATOM 357 N LYS A 22 10.049 -1.713 -10.240 1.00 0.00 N ATOM 358 CA LYS A 22 9.174 -2.878 -10.186 1.00 0.00 C ATOM 359 C LYS A 22 9.921 -4.104 -9.678 1.00 0.00 C ATOM 360 O LYS A 22 9.379 -4.898 -8.910 1.00 0.00 O ATOM 361 CB LYS A 22 8.574 -3.160 -11.565 1.00 0.00 C ATOM 362 CG LYS A 22 7.507 -2.166 -12.002 1.00 0.00 C ATOM 363 CD LYS A 22 6.772 -2.654 -13.241 1.00 0.00 C ATOM 364 CE LYS A 22 7.679 -2.644 -14.463 1.00 0.00 C ATOM 365 NZ LYS A 22 6.927 -2.925 -15.717 1.00 0.00 N ATOM 366 H LYS A 22 10.218 -1.264 -11.129 1.00 0.00 H ATOM 367 HA LYS A 22 8.352 -2.661 -9.504 1.00 0.00 H ATOM 368 1HB LYS A 22 9.365 -3.153 -12.315 1.00 0.00 H ATOM 369 2HB LYS A 22 8.127 -4.155 -11.570 1.00 0.00 H ATOM 370 1HG LYS A 22 6.787 -2.026 -11.195 1.00 0.00 H ATOM 371 2HG LYS A 22 7.972 -1.206 -12.220 1.00 0.00 H ATOM 372 1HD LYS A 22 6.411 -3.670 -13.075 1.00 0.00 H ATOM 373 2HD LYS A 22 5.914 -2.010 -13.433 1.00 0.00 H ATOM 374 1HE LYS A 22 8.158 -1.670 -14.552 1.00 0.00 H ATOM 375 2HE LYS A 22 8.457 -3.398 -14.345 1.00 0.00 H ATOM 376 1HZ LYS A 22 7.562 -2.910 -16.502 1.00 0.00 H ATOM 377 2HZ LYS A 22 6.493 -3.835 -15.653 1.00 0.00 H ATOM 378 3HZ LYS A 22 6.215 -2.221 -15.847 1.00 0.00 H ATOM 379 N LYS A 23 11.168 -4.254 -10.113 1.00 0.00 N ATOM 380 CA LYS A 23 12.029 -5.320 -9.615 1.00 0.00 C ATOM 381 C LYS A 23 12.282 -5.171 -8.120 1.00 0.00 C ATOM 382 O LYS A 23 12.255 -6.152 -7.376 1.00 0.00 O ATOM 383 CB LYS A 23 13.357 -5.333 -10.374 1.00 0.00 C ATOM 384 CG LYS A 23 13.258 -5.838 -11.807 1.00 0.00 C ATOM 385 CD LYS A 23 14.603 -5.763 -12.514 1.00 0.00 C ATOM 386 CE LYS A 23 14.502 -6.250 -13.952 1.00 0.00 C ATOM 387 NZ LYS A 23 15.808 -6.169 -14.660 1.00 0.00 N ATOM 388 H LYS A 23 11.528 -3.613 -10.805 1.00 0.00 H ATOM 389 HA LYS A 23 11.536 -6.276 -9.793 1.00 0.00 H ATOM 390 1HB LYS A 23 13.770 -4.324 -10.403 1.00 0.00 H ATOM 391 2HB LYS A 23 14.072 -5.964 -9.846 1.00 0.00 H ATOM 392 1HG LYS A 23 12.915 -6.873 -11.805 1.00 0.00 H ATOM 393 2HG LYS A 23 12.535 -5.235 -12.356 1.00 0.00 H ATOM 394 1HD LYS A 23 14.958 -4.731 -12.513 1.00 0.00 H ATOM 395 2HD LYS A 23 15.328 -6.379 -11.982 1.00 0.00 H ATOM 396 1HE LYS A 23 14.160 -7.284 -13.962 1.00 0.00 H ATOM 397 2HE LYS A 23 13.773 -5.645 -14.491 1.00 0.00 H ATOM 398 1HZ LYS A 23 15.698 -6.501 -15.608 1.00 0.00 H ATOM 399 2HZ LYS A 23 16.126 -5.210 -14.674 1.00 0.00 H ATOM 400 3HZ LYS A 23 16.487 -6.742 -14.181 1.00 0.00 H ATOM 401 N TRP A 24 12.527 -3.940 -7.686 1.00 0.00 N ATOM 402 CA TRP A 24 12.681 -3.644 -6.266 1.00 0.00 C ATOM 403 C TRP A 24 11.418 -3.996 -5.491 1.00 0.00 C ATOM 404 O TRP A 24 11.486 -4.548 -4.392 1.00 0.00 O ATOM 405 CB TRP A 24 13.013 -2.165 -6.063 1.00 0.00 C ATOM 406 CG TRP A 24 13.107 -1.766 -4.621 1.00 0.00 C ATOM 407 CD1 TRP A 24 14.174 -1.947 -3.793 1.00 0.00 C ATOM 408 CD2 TRP A 24 12.088 -1.112 -3.826 1.00 0.00 C ATOM 409 NE1 TRP A 24 13.891 -1.454 -2.543 1.00 0.00 N ATOM 410 CE2 TRP A 24 12.620 -0.938 -2.546 1.00 0.00 C ATOM 411 CE3 TRP A 24 10.788 -0.666 -4.095 1.00 0.00 C ATOM 412 CZ2 TRP A 24 11.897 -0.338 -1.527 1.00 0.00 C ATOM 413 CZ3 TRP A 24 10.064 -0.063 -3.074 1.00 0.00 C ATOM 414 CH2 TRP A 24 10.605 0.097 -1.823 1.00 0.00 C ATOM 415 H TRP A 24 12.608 -3.189 -8.356 1.00 0.00 H ATOM 416 HA TRP A 24 13.508 -4.239 -5.877 1.00 0.00 H ATOM 417 1HB TRP A 24 13.964 -1.936 -6.544 1.00 0.00 H ATOM 418 2HB TRP A 24 12.249 -1.551 -6.539 1.00 0.00 H ATOM 419 HD1 TRP A 24 15.114 -2.414 -4.081 1.00 0.00 H ATOM 420 HE1 TRP A 24 14.516 -1.469 -1.750 1.00 0.00 H ATOM 421 HE3 TRP A 24 10.355 -0.789 -5.087 1.00 0.00 H ATOM 422 HZ2 TRP A 24 12.309 -0.201 -0.527 1.00 0.00 H ATOM 423 HZ3 TRP A 24 9.052 0.280 -3.291 1.00 0.00 H ATOM 424 HH2 TRP A 24 10.010 0.575 -1.045 1.00 0.00 H ATOM 425 N LEU A 25 10.266 -3.674 -6.068 1.00 0.00 N ATOM 426 CA LEU A 25 8.984 -3.990 -5.449 1.00 0.00 C ATOM 427 C LEU A 25 8.799 -5.495 -5.302 1.00 0.00 C ATOM 428 O LEU A 25 8.276 -5.970 -4.295 1.00 0.00 O ATOM 429 CB LEU A 25 7.835 -3.407 -6.282 1.00 0.00 C ATOM 430 CG LEU A 25 7.703 -1.878 -6.255 1.00 0.00 C ATOM 431 CD1 LEU A 25 6.686 -1.438 -7.298 1.00 0.00 C ATOM 432 CD2 LEU A 25 7.288 -1.429 -4.862 1.00 0.00 C ATOM 433 H LEU A 25 10.278 -3.197 -6.958 1.00 0.00 H ATOM 434 HA LEU A 25 8.956 -3.536 -4.458 1.00 0.00 H ATOM 435 1HB LEU A 25 7.970 -3.709 -7.319 1.00 0.00 H ATOM 436 2HB LEU A 25 6.896 -3.827 -5.922 1.00 0.00 H ATOM 437 HG LEU A 25 8.661 -1.426 -6.511 1.00 0.00 H ATOM 438 1HD1 LEU A 25 6.592 -0.352 -7.279 1.00 0.00 H ATOM 439 2HD1 LEU A 25 7.018 -1.755 -8.287 1.00 0.00 H ATOM 440 3HD1 LEU A 25 5.719 -1.889 -7.077 1.00 0.00 H ATOM 441 1HD2 LEU A 25 7.194 -0.343 -4.843 1.00 0.00 H ATOM 442 2HD2 LEU A 25 6.329 -1.880 -4.605 1.00 0.00 H ATOM 443 3HD2 LEU A 25 8.041 -1.742 -4.139 1.00 0.00 H ATOM 444 N LYS A 26 9.232 -6.240 -6.313 1.00 0.00 N ATOM 445 CA LYS A 26 9.195 -7.697 -6.262 1.00 0.00 C ATOM 446 C LYS A 26 10.095 -8.232 -5.156 1.00 0.00 C ATOM 447 O LYS A 26 9.756 -9.205 -4.482 1.00 0.00 O ATOM 448 CB LYS A 26 9.608 -8.291 -7.609 1.00 0.00 C ATOM 449 CG LYS A 26 8.585 -8.101 -8.721 1.00 0.00 C ATOM 450 CD LYS A 26 9.086 -8.673 -10.038 1.00 0.00 C ATOM 451 CE LYS A 26 8.071 -8.470 -11.153 1.00 0.00 C ATOM 452 NZ LYS A 26 8.555 -9.014 -12.452 1.00 0.00 N ATOM 453 H LYS A 26 9.596 -5.786 -7.139 1.00 0.00 H ATOM 454 HA LYS A 26 8.170 -8.010 -6.061 1.00 0.00 H ATOM 455 1HB LYS A 26 10.544 -7.838 -7.935 1.00 0.00 H ATOM 456 2HB LYS A 26 9.784 -9.361 -7.496 1.00 0.00 H ATOM 457 1HG LYS A 26 7.654 -8.600 -8.448 1.00 0.00 H ATOM 458 2HG LYS A 26 8.381 -7.038 -8.850 1.00 0.00 H ATOM 459 1HD LYS A 26 10.021 -8.184 -10.315 1.00 0.00 H ATOM 460 2HD LYS A 26 9.276 -9.740 -9.922 1.00 0.00 H ATOM 461 1HE LYS A 26 7.139 -8.967 -10.891 1.00 0.00 H ATOM 462 2HE LYS A 26 7.869 -7.406 -11.272 1.00 0.00 H ATOM 463 1HZ LYS A 26 7.855 -8.859 -13.163 1.00 0.00 H ATOM 464 2HZ LYS A 26 9.411 -8.546 -12.715 1.00 0.00 H ATOM 465 3HZ LYS A 26 8.728 -10.004 -12.359 1.00 0.00 H ATOM 466 N LYS A 27 11.244 -7.590 -4.972 1.00 0.00 N ATOM 467 CA LYS A 27 12.143 -7.926 -3.874 1.00 0.00 C ATOM 468 C LYS A 27 11.520 -7.582 -2.528 1.00 0.00 C ATOM 469 O LYS A 27 11.691 -8.309 -1.549 1.00 0.00 O ATOM 470 CB LYS A 27 13.480 -7.202 -4.036 1.00 0.00 C ATOM 471 CG LYS A 27 14.334 -7.708 -5.190 1.00 0.00 C ATOM 472 CD LYS A 27 15.624 -6.910 -5.315 1.00 0.00 C ATOM 473 CE LYS A 27 16.473 -7.406 -6.476 1.00 0.00 C ATOM 474 NZ LYS A 27 17.728 -6.621 -6.623 1.00 0.00 N ATOM 475 H LYS A 27 11.502 -6.851 -5.610 1.00 0.00 H ATOM 476 HA LYS A 27 12.340 -8.998 -3.904 1.00 0.00 H ATOM 477 1HB LYS A 27 13.301 -6.138 -4.193 1.00 0.00 H ATOM 478 2HB LYS A 27 14.062 -7.303 -3.119 1.00 0.00 H ATOM 479 1HG LYS A 27 14.581 -8.758 -5.028 1.00 0.00 H ATOM 480 2HG LYS A 27 13.774 -7.625 -6.121 1.00 0.00 H ATOM 481 1HD LYS A 27 15.387 -5.857 -5.472 1.00 0.00 H ATOM 482 2HD LYS A 27 16.198 -7.001 -4.393 1.00 0.00 H ATOM 483 1HE LYS A 27 16.729 -8.452 -6.318 1.00 0.00 H ATOM 484 2HE LYS A 27 15.902 -7.331 -7.402 1.00 0.00 H ATOM 485 1HZ LYS A 27 18.261 -6.980 -7.402 1.00 0.00 H ATOM 486 2HZ LYS A 27 17.501 -5.650 -6.789 1.00 0.00 H ATOM 487 3HZ LYS A 27 18.275 -6.698 -5.778 1.00 0.00 H ATOM 488 N ALA A 28 10.796 -6.469 -2.484 1.00 0.00 N ATOM 489 CA ALA A 28 10.074 -6.071 -1.281 1.00 0.00 C ATOM 490 C ALA A 28 8.973 -7.068 -0.944 1.00 0.00 C ATOM 491 O ALA A 28 8.692 -7.325 0.227 1.00 0.00 O ATOM 492 CB ALA A 28 9.490 -4.676 -1.450 1.00 0.00 C ATOM 493 H ALA A 28 10.744 -5.883 -3.305 1.00 0.00 H ATOM 494 HA ALA A 28 10.777 -6.046 -0.449 1.00 0.00 H ATOM 495 1HB ALA A 28 8.954 -4.393 -0.544 1.00 0.00 H ATOM 496 2HB ALA A 28 10.295 -3.964 -1.632 1.00 0.00 H ATOM 497 3HB ALA A 28 8.803 -4.670 -2.294 1.00 0.00 H ATOM 498 N GLY A 29 8.353 -7.628 -1.977 1.00 0.00 N ATOM 499 CA GLY A 29 7.319 -8.640 -1.793 1.00 0.00 C ATOM 500 C GLY A 29 5.941 -8.087 -2.132 1.00 0.00 C ATOM 501 O GLY A 29 4.925 -8.583 -1.645 1.00 0.00 O ATOM 502 H GLY A 29 8.604 -7.346 -2.914 1.00 0.00 H ATOM 503 1HA GLY A 29 7.535 -9.501 -2.426 1.00 0.00 H ATOM 504 2HA GLY A 29 7.331 -8.989 -0.761 1.00 0.00 H ATOM 505 N ALA A 30 5.912 -7.056 -2.971 1.00 0.00 N ATOM 506 CA ALA A 30 4.656 -6.450 -3.397 1.00 0.00 C ATOM 507 C ALA A 30 3.920 -7.344 -4.386 1.00 0.00 C ATOM 508 O ALA A 30 4.541 -8.055 -5.176 1.00 0.00 O ATOM 509 CB ALA A 30 4.911 -5.080 -4.010 1.00 0.00 C ATOM 510 H ALA A 30 6.782 -6.683 -3.322 1.00 0.00 H ATOM 511 HA ALA A 30 4.022 -6.316 -2.521 1.00 0.00 H ATOM 512 1HB ALA A 30 3.964 -4.640 -4.323 1.00 0.00 H ATOM 513 2HB ALA A 30 5.385 -4.433 -3.271 1.00 0.00 H ATOM 514 3HB ALA A 30 5.565 -5.185 -4.874 1.00 0.00 H ATOM 515 N SER A 31 2.593 -7.305 -4.337 1.00 0.00 N ATOM 516 CA SER A 31 1.769 -8.070 -5.265 1.00 0.00 C ATOM 517 C SER A 31 1.752 -7.426 -6.646 1.00 0.00 C ATOM 518 O SER A 31 2.054 -6.242 -6.793 1.00 0.00 O ATOM 519 CB SER A 31 0.354 -8.185 -4.734 1.00 0.00 C ATOM 520 OG SER A 31 -0.283 -6.937 -4.725 1.00 0.00 O ATOM 521 H SER A 31 2.143 -6.730 -3.639 1.00 0.00 H ATOM 522 HA SER A 31 2.192 -9.071 -5.359 1.00 0.00 H ATOM 523 1HB SER A 31 -0.212 -8.881 -5.353 1.00 0.00 H ATOM 524 2HB SER A 31 0.377 -8.592 -3.723 1.00 0.00 H ATOM 525 HG SER A 31 0.102 -6.449 -3.994 1.00 0.00 H ATOM 526 N GLU A 32 1.397 -8.213 -7.656 1.00 0.00 N ATOM 527 CA GLU A 32 1.337 -7.721 -9.026 1.00 0.00 C ATOM 528 C GLU A 32 0.441 -6.493 -9.132 1.00 0.00 C ATOM 529 O GLU A 32 0.792 -5.511 -9.786 1.00 0.00 O ATOM 530 CB GLU A 32 0.828 -8.817 -9.965 1.00 0.00 C ATOM 531 CG GLU A 32 0.744 -8.403 -11.428 1.00 0.00 C ATOM 532 CD GLU A 32 0.252 -9.507 -12.321 1.00 0.00 C ATOM 533 OE1 GLU A 32 0.131 -10.614 -11.854 1.00 0.00 O ATOM 534 OE2 GLU A 32 -0.003 -9.244 -13.473 1.00 0.00 O ATOM 535 H GLU A 32 1.162 -9.178 -7.469 1.00 0.00 H ATOM 536 HA GLU A 32 2.345 -7.446 -9.340 1.00 0.00 H ATOM 537 1HB GLU A 32 1.485 -9.685 -9.901 1.00 0.00 H ATOM 538 2HB GLU A 32 -0.166 -9.134 -9.650 1.00 0.00 H ATOM 539 1HG GLU A 32 0.069 -7.552 -11.516 1.00 0.00 H ATOM 540 2HG GLU A 32 1.731 -8.084 -11.761 1.00 0.00 H ATOM 541 N ASP A 33 -0.717 -6.554 -8.484 1.00 0.00 N ATOM 542 CA ASP A 33 -1.669 -5.450 -8.510 1.00 0.00 C ATOM 543 C ASP A 33 -1.058 -4.183 -7.924 1.00 0.00 C ATOM 544 O ASP A 33 -1.207 -3.096 -8.481 1.00 0.00 O ATOM 545 CB ASP A 33 -2.937 -5.817 -7.736 1.00 0.00 C ATOM 546 CG ASP A 33 -3.794 -6.849 -8.457 1.00 0.00 C ATOM 547 OD1 ASP A 33 -3.574 -7.062 -9.626 1.00 0.00 O ATOM 548 OD2 ASP A 33 -4.659 -7.415 -7.832 1.00 0.00 O ATOM 549 H ASP A 33 -0.945 -7.388 -7.961 1.00 0.00 H ATOM 550 HA ASP A 33 -1.947 -5.257 -9.546 1.00 0.00 H ATOM 551 1HB ASP A 33 -2.665 -6.212 -6.757 1.00 0.00 H ATOM 552 2HB ASP A 33 -3.536 -4.920 -7.572 1.00 0.00 H ATOM 553 N GLU A 34 -0.370 -4.330 -6.797 1.00 0.00 N ATOM 554 CA GLU A 34 0.288 -3.203 -6.148 1.00 0.00 C ATOM 555 C GLU A 34 1.402 -2.639 -7.021 1.00 0.00 C ATOM 556 O GLU A 34 1.581 -1.424 -7.108 1.00 0.00 O ATOM 557 CB GLU A 34 0.854 -3.624 -4.791 1.00 0.00 C ATOM 558 CG GLU A 34 -0.199 -3.865 -3.718 1.00 0.00 C ATOM 559 CD GLU A 34 0.366 -4.492 -2.474 1.00 0.00 C ATOM 560 OE1 GLU A 34 0.962 -5.537 -2.577 1.00 0.00 O ATOM 561 OE2 GLU A 34 0.202 -3.925 -1.419 1.00 0.00 O ATOM 562 H GLU A 34 -0.301 -5.247 -6.379 1.00 0.00 H ATOM 563 HA GLU A 34 -0.453 -2.420 -5.979 1.00 0.00 H ATOM 564 1HB GLU A 34 1.430 -4.543 -4.906 1.00 0.00 H ATOM 565 2HB GLU A 34 1.534 -2.855 -4.425 1.00 0.00 H ATOM 566 1HG GLU A 34 -0.658 -2.912 -3.454 1.00 0.00 H ATOM 567 2HG GLU A 34 -0.976 -4.511 -4.124 1.00 0.00 H ATOM 568 N ILE A 35 2.150 -3.529 -7.665 1.00 0.00 N ATOM 569 CA ILE A 35 3.239 -3.121 -8.545 1.00 0.00 C ATOM 570 C ILE A 35 2.718 -2.327 -9.735 1.00 0.00 C ATOM 571 O ILE A 35 3.269 -1.284 -10.088 1.00 0.00 O ATOM 572 CB ILE A 35 4.026 -4.345 -9.048 1.00 0.00 C ATOM 573 CG1 ILE A 35 4.794 -4.996 -7.895 1.00 0.00 C ATOM 574 CG2 ILE A 35 4.976 -3.943 -10.165 1.00 0.00 C ATOM 575 CD1 ILE A 35 5.360 -6.357 -8.231 1.00 0.00 C ATOM 576 H ILE A 35 1.958 -4.513 -7.543 1.00 0.00 H ATOM 577 HA ILE A 35 3.924 -2.491 -7.977 1.00 0.00 H ATOM 578 HB ILE A 35 3.331 -5.093 -9.427 1.00 0.00 H ATOM 579 1HG1 ILE A 35 5.617 -4.349 -7.595 1.00 0.00 H ATOM 580 2HG1 ILE A 35 4.134 -5.106 -7.034 1.00 0.00 H ATOM 581 1HG2 ILE A 35 5.525 -4.820 -10.509 1.00 0.00 H ATOM 582 2HG2 ILE A 35 4.407 -3.524 -10.994 1.00 0.00 H ATOM 583 3HG2 ILE A 35 5.680 -3.197 -9.794 1.00 0.00 H ATOM 584 1HD1 ILE A 35 5.889 -6.755 -7.365 1.00 0.00 H ATOM 585 2HD1 ILE A 35 4.547 -7.033 -8.501 1.00 0.00 H ATOM 586 3HD1 ILE A 35 6.051 -6.267 -9.068 1.00 0.00 H ATOM 587 N ARG A 36 1.652 -2.825 -10.352 1.00 0.00 N ATOM 588 CA ARG A 36 1.042 -2.153 -11.493 1.00 0.00 C ATOM 589 C ARG A 36 0.481 -0.794 -11.096 1.00 0.00 C ATOM 590 O ARG A 36 0.618 0.184 -11.831 1.00 0.00 O ATOM 591 CB ARG A 36 -0.071 -3.005 -12.084 1.00 0.00 C ATOM 592 CG ARG A 36 0.398 -4.247 -12.825 1.00 0.00 C ATOM 593 CD ARG A 36 -0.740 -5.002 -13.408 1.00 0.00 C ATOM 594 NE ARG A 36 -0.305 -6.238 -14.039 1.00 0.00 N ATOM 595 CZ ARG A 36 0.193 -6.325 -15.288 1.00 0.00 C ATOM 596 NH1 ARG A 36 0.311 -5.243 -16.026 1.00 0.00 N ATOM 597 NH2 ARG A 36 0.561 -7.499 -15.772 1.00 0.00 N ATOM 598 H ARG A 36 1.253 -3.693 -10.022 1.00 0.00 H ATOM 599 HA ARG A 36 1.806 -2.006 -12.257 1.00 0.00 H ATOM 600 1HB ARG A 36 -0.742 -3.329 -11.290 1.00 0.00 H ATOM 601 2HB ARG A 36 -0.656 -2.406 -12.782 1.00 0.00 H ATOM 602 1HG ARG A 36 1.068 -3.956 -13.635 1.00 0.00 H ATOM 603 2HG ARG A 36 0.928 -4.904 -12.135 1.00 0.00 H ATOM 604 1HD ARG A 36 -1.451 -5.253 -12.622 1.00 0.00 H ATOM 605 2HD ARG A 36 -1.234 -4.390 -14.162 1.00 0.00 H ATOM 606 HE ARG A 36 -0.381 -7.092 -13.503 1.00 0.00 H ATOM 607 1HH1 ARG A 36 0.030 -4.347 -15.656 1.00 0.00 H ATOM 608 2HH1 ARG A 36 0.684 -5.309 -16.962 1.00 0.00 H ATOM 609 1HH2 ARG A 36 0.470 -8.330 -15.205 1.00 0.00 H ATOM 610 2HH2 ARG A 36 0.934 -7.564 -16.708 1.00 0.00 H ATOM 611 N GLU A 37 -0.152 -0.738 -9.929 1.00 0.00 N ATOM 612 CA GLU A 37 -0.672 0.516 -9.398 1.00 0.00 C ATOM 613 C GLU A 37 0.434 1.552 -9.249 1.00 0.00 C ATOM 614 O GLU A 37 0.298 2.689 -9.699 1.00 0.00 O ATOM 615 CB GLU A 37 -1.352 0.282 -8.047 1.00 0.00 C ATOM 616 CG GLU A 37 -1.937 1.536 -7.412 1.00 0.00 C ATOM 617 CD GLU A 37 -2.644 1.259 -6.115 1.00 0.00 C ATOM 618 OE1 GLU A 37 -2.783 0.111 -5.769 1.00 0.00 O ATOM 619 OE2 GLU A 37 -3.046 2.198 -5.468 1.00 0.00 O ATOM 620 H GLU A 37 -0.275 -1.587 -9.395 1.00 0.00 H ATOM 621 HA GLU A 37 -1.421 0.901 -10.092 1.00 0.00 H ATOM 622 1HB GLU A 37 -2.159 -0.441 -8.166 1.00 0.00 H ATOM 623 2HB GLU A 37 -0.632 -0.143 -7.347 1.00 0.00 H ATOM 624 1HG GLU A 37 -1.132 2.248 -7.230 1.00 0.00 H ATOM 625 2HG GLU A 37 -2.636 1.992 -8.112 1.00 0.00 H ATOM 626 N ILE A 38 1.530 1.152 -8.613 1.00 0.00 N ATOM 627 CA ILE A 38 2.675 2.037 -8.429 1.00 0.00 C ATOM 628 C ILE A 38 3.250 2.480 -9.768 1.00 0.00 C ATOM 629 O ILE A 38 3.571 3.652 -9.959 1.00 0.00 O ATOM 630 CB ILE A 38 3.774 1.347 -7.600 1.00 0.00 C ATOM 631 CG1 ILE A 38 3.307 1.147 -6.156 1.00 0.00 C ATOM 632 CG2 ILE A 38 5.059 2.160 -7.639 1.00 0.00 C ATOM 633 CD1 ILE A 38 4.193 0.224 -5.350 1.00 0.00 C ATOM 634 H ILE A 38 1.572 0.211 -8.248 1.00 0.00 H ATOM 635 HA ILE A 38 2.345 2.920 -7.881 1.00 0.00 H ATOM 636 HB ILE A 38 3.970 0.356 -8.008 1.00 0.00 H ATOM 637 1HG1 ILE A 38 3.267 2.110 -5.649 1.00 0.00 H ATOM 638 2HG1 ILE A 38 2.297 0.735 -6.154 1.00 0.00 H ATOM 639 1HG2 ILE A 38 5.824 1.659 -7.048 1.00 0.00 H ATOM 640 2HG2 ILE A 38 5.399 2.253 -8.670 1.00 0.00 H ATOM 641 3HG2 ILE A 38 4.874 3.153 -7.227 1.00 0.00 H ATOM 642 1HD1 ILE A 38 3.797 0.132 -4.338 1.00 0.00 H ATOM 643 2HD1 ILE A 38 4.219 -0.759 -5.821 1.00 0.00 H ATOM 644 3HD1 ILE A 38 5.201 0.634 -5.308 1.00 0.00 H ATOM 645 N GLU A 39 3.378 1.534 -10.693 1.00 0.00 N ATOM 646 CA GLU A 39 3.876 1.833 -12.030 1.00 0.00 C ATOM 647 C GLU A 39 3.073 2.953 -12.680 1.00 0.00 C ATOM 648 O GLU A 39 3.637 3.869 -13.278 1.00 0.00 O ATOM 649 CB GLU A 39 3.828 0.582 -12.909 1.00 0.00 C ATOM 650 CG GLU A 39 4.392 0.775 -14.310 1.00 0.00 C ATOM 651 CD GLU A 39 4.362 -0.483 -15.131 1.00 0.00 C ATOM 652 OE1 GLU A 39 3.506 -1.302 -14.898 1.00 0.00 O ATOM 653 OE2 GLU A 39 5.197 -0.626 -15.994 1.00 0.00 O ATOM 654 H GLU A 39 3.123 0.584 -10.464 1.00 0.00 H ATOM 655 HA GLU A 39 4.916 2.151 -11.949 1.00 0.00 H ATOM 656 1HB GLU A 39 4.389 -0.221 -12.431 1.00 0.00 H ATOM 657 2HB GLU A 39 2.796 0.245 -13.008 1.00 0.00 H ATOM 658 1HG GLU A 39 3.812 1.543 -14.821 1.00 0.00 H ATOM 659 2HG GLU A 39 5.419 1.128 -14.231 1.00 0.00 H ATOM 660 N LYS A 40 1.752 2.873 -12.559 1.00 0.00 N ATOM 661 CA LYS A 40 0.870 3.898 -13.104 1.00 0.00 C ATOM 662 C LYS A 40 1.134 5.253 -12.458 1.00 0.00 C ATOM 663 O LYS A 40 1.081 6.288 -13.122 1.00 0.00 O ATOM 664 CB LYS A 40 -0.595 3.501 -12.913 1.00 0.00 C ATOM 665 CG LYS A 40 -1.051 2.339 -13.785 1.00 0.00 C ATOM 666 CD LYS A 40 -2.500 1.972 -13.503 1.00 0.00 C ATOM 667 CE LYS A 40 -2.951 0.798 -14.360 1.00 0.00 C ATOM 668 NZ LYS A 40 -4.361 0.413 -14.079 1.00 0.00 N ATOM 669 H LYS A 40 1.349 2.083 -12.076 1.00 0.00 H ATOM 670 HA LYS A 40 1.055 3.980 -14.176 1.00 0.00 H ATOM 671 1HB LYS A 40 -0.764 3.225 -11.872 1.00 0.00 H ATOM 672 2HB LYS A 40 -1.235 4.356 -13.133 1.00 0.00 H ATOM 673 1HG LYS A 40 -0.951 2.612 -14.836 1.00 0.00 H ATOM 674 2HG LYS A 40 -0.421 1.471 -13.592 1.00 0.00 H ATOM 675 1HD LYS A 40 -2.611 1.707 -12.451 1.00 0.00 H ATOM 676 2HD LYS A 40 -3.140 2.829 -13.714 1.00 0.00 H ATOM 677 1HE LYS A 40 -2.861 1.060 -15.413 1.00 0.00 H ATOM 678 2HE LYS A 40 -2.308 -0.061 -14.166 1.00 0.00 H ATOM 679 1HZ LYS A 40 -4.620 -0.368 -14.665 1.00 0.00 H ATOM 680 2HZ LYS A 40 -4.451 0.149 -13.108 1.00 0.00 H ATOM 681 3HZ LYS A 40 -4.969 1.196 -14.273 1.00 0.00 H ATOM 682 N GLU A 41 1.419 5.238 -11.161 1.00 0.00 N ATOM 683 CA GLU A 41 1.712 6.464 -10.427 1.00 0.00 C ATOM 684 C GLU A 41 3.077 7.021 -10.811 1.00 0.00 C ATOM 685 O GLU A 41 3.289 8.234 -10.797 1.00 0.00 O ATOM 686 CB GLU A 41 1.660 6.209 -8.919 1.00 0.00 C ATOM 687 CG GLU A 41 0.265 5.930 -8.377 1.00 0.00 C ATOM 688 CD GLU A 41 0.244 5.746 -6.885 1.00 0.00 C ATOM 689 OE1 GLU A 41 1.296 5.716 -6.294 1.00 0.00 O ATOM 690 OE2 GLU A 41 -0.827 5.636 -6.336 1.00 0.00 O ATOM 691 H GLU A 41 1.432 4.356 -10.670 1.00 0.00 H ATOM 692 HA GLU A 41 0.951 7.205 -10.673 1.00 0.00 H ATOM 693 1HB GLU A 41 2.292 5.356 -8.672 1.00 0.00 H ATOM 694 2HB GLU A 41 2.057 7.075 -8.390 1.00 0.00 H ATOM 695 1HG GLU A 41 -0.388 6.761 -8.639 1.00 0.00 H ATOM 696 2HG GLU A 41 -0.126 5.032 -8.855 1.00 0.00 H ATOM 697 N LEU A 42 4.000 6.129 -11.152 1.00 0.00 N ATOM 698 CA LEU A 42 5.321 6.533 -11.620 1.00 0.00 C ATOM 699 C LEU A 42 5.232 7.269 -12.951 1.00 0.00 C ATOM 700 O LEU A 42 5.966 8.228 -13.191 1.00 0.00 O ATOM 701 CB LEU A 42 6.230 5.307 -11.767 1.00 0.00 C ATOM 702 CG LEU A 42 6.632 4.616 -10.458 1.00 0.00 C ATOM 703 CD1 LEU A 42 7.390 3.333 -10.771 1.00 0.00 C ATOM 704 CD2 LEU A 42 7.483 5.564 -9.625 1.00 0.00 C ATOM 705 H LEU A 42 3.782 5.145 -11.086 1.00 0.00 H ATOM 706 HA LEU A 42 5.761 7.202 -10.879 1.00 0.00 H ATOM 707 1HB LEU A 42 5.721 4.570 -12.387 1.00 0.00 H ATOM 708 2HB LEU A 42 7.144 5.611 -12.276 1.00 0.00 H ATOM 709 HG LEU A 42 5.736 4.346 -9.898 1.00 0.00 H ATOM 710 1HD1 LEU A 42 7.676 2.843 -9.841 1.00 0.00 H ATOM 711 2HD1 LEU A 42 6.752 2.666 -11.351 1.00 0.00 H ATOM 712 3HD1 LEU A 42 8.285 3.571 -11.346 1.00 0.00 H ATOM 713 1HD2 LEU A 42 7.768 5.073 -8.693 1.00 0.00 H ATOM 714 2HD2 LEU A 42 8.380 5.834 -10.182 1.00 0.00 H ATOM 715 3HD2 LEU A 42 6.911 6.464 -9.400 1.00 0.00 H ATOM 716 N ASP A 43 4.328 6.816 -13.813 1.00 0.00 N ATOM 717 CA ASP A 43 4.119 7.451 -15.108 1.00 0.00 C ATOM 718 C ASP A 43 3.608 8.877 -14.947 1.00 0.00 C ATOM 719 O ASP A 43 2.921 9.194 -13.976 1.00 0.00 O ATOM 720 OXT ASP A 43 3.875 9.707 -15.771 1.00 0.00 O ATOM 721 CB ASP A 43 3.129 6.641 -15.950 1.00 0.00 C ATOM 722 CG ASP A 43 3.029 7.136 -17.386 1.00 0.00 C ATOM 723 OD1 ASP A 43 3.895 6.816 -18.166 1.00 0.00 O ATOM 724 OD2 ASP A 43 2.088 7.829 -17.690 1.00 0.00 O ATOM 725 H ASP A 43 3.772 6.011 -13.564 1.00 0.00 H ATOM 726 HA ASP A 43 5.072 7.482 -15.637 1.00 0.00 H ATOM 727 1HB ASP A 43 3.434 5.594 -15.962 1.00 0.00 H ATOM 728 2HB ASP A 43 2.140 6.689 -15.494 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE nods_bigger.blueprint.44_try133_pass_20150322173538_0001_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 rama omega fa_dun p_aa_pp ref total weights 0.8 0.44 0.75 0.004 0.7 1 1.17 1.17 1.17 1.1 1 0.2 0.5 0.56 0.32 1 NA pose -168.587 16.2237 95.2504 0.28746 -24.2288 0.12094 -23.168 -1.6457 -1.74949 -6.7321 0 -7.05074 2.08199 47.5996 -5.44335 -13.3843 -90.4253 PRO:NtermProteinFull_1 -2.8315 0.27308 1.62928 0.00673 -0.12757 0.12094 0 0 0 0 0 0 0.04774 0.06541 0 -0.21929 -1.03516 GLU_2 -2.99257 0.31575 2.3059 0.00762 -0.81783 0 0 0 0 -0.20496 0 -0.10585 0.01071 2.17989 -0.10784 -1.55374 -0.96293 ASP_3 -2.50513 0.21078 1.64103 0.00337 -0.20374 0 0 0 0 0 0 -0.09287 1e-05 1.27311 0.04028 -1.28682 -0.91999 LEU_4 -4.26586 0.45254 1.289 0.00723 -0.03692 0 0 0 0 0 0 -0.13065 0.07127 0.16696 -0.12667 0.60233 -1.97078 LYS_5 -5.21961 0.46767 3.77019 0.0031 -1.89948 0 0 0 0 -0.52812 0 -0.19739 0.00073 1.13668 -0.04544 -0.28737 -2.79903 ARG_6 -4.36141 0.26567 3.03289 0.00952 -1.19992 0 0 0 0 -0.20496 0 -0.18995 0.00276 1.61575 -0.08316 -0.14916 -1.26197 GLU_7 -4.60594 0.39977 2.93237 0.00519 -1.1412 0 0 0 0 -0.37302 0 -0.2228 0.16033 2.31422 -0.1769 -1.55374 -2.26173 ALA_8 -4.14781 0.25834 1.72886 0.00074 -0.27605 0 0 0 0 0 0 -0.195 0.19964 0 -0.18644 0.59294 -2.02477 GLU_9 -4.27084 0.3997 2.94175 0.0075 -1.03271 0 0 0 0 -0.37839 0 -0.14337 0.05615 2.2443 -0.10522 -1.55374 -1.83487 LYS_10 -4.57312 0.3742 3.186 0.00315 -1.09848 0 0 0 0 -0.37302 0 -0.08249 0.02311 1.03349 -0.04087 -0.28737 -1.83542 LEU_11 -5.62162 0.58044 2.1393 0.00646 -0.2689 0 0 0 0 0 0 -0.08667 0.02369 0.35504 -0.12105 0.60233 -2.39098 TRP_12 -5.95379 0.53677 2.33555 0.0224 -0.174 0 0 0 0 0 0 -0.14735 0.00011 1.88249 -0.03295 0.92933 -0.60143 ARG_13 -3.26866 0.39401 2.22684 0.00964 -0.97049 0 0 0 0 -0.37839 0 -0.25988 0.03616 1.44398 -0.0898 -0.14916 -1.00574 ASN_14 -2.81041 0.35226 1.81273 0.00374 -0.06236 0 0 0 0 0 0 -0.24646 0.09155 1.37052 -0.21047 -0.94198 -0.64088 GLY_15 -1.32438 0.31569 0.90117 1e-05 0.06819 0 0 0 0 0 0 -0.33789 0.01486 0 -0.79254 0.14053 -1.01435 VAL_16 -4.02057 0.64293 1.79787 0.01269 -0.06098 0 0 0 0 0 0 -0.21346 0.34454 0.06356 -0.16042 0.74484 -0.84899 SER_17 -3.30423 0.37178 2.50683 0.00155 -1.00775 0 0 0 -0.37446 -0.30698 0 -0.26844 0.00694 0.07815 -0.26196 0.17658 -2.382 LYS_18 -4.19768 0.40734 2.66987 0.00316 -0.89677 0 0 0 0 -0.2598 0 -0.15121 0.10197 0.95135 -0.04487 -0.28737 -1.70401 GLU_19 -3.29155 0.36056 2.58153 0.00516 -0.95227 0 0 0 0 -0.25924 0 -0.2335 0.00209 2.54313 -0.12589 -1.55374 -0.9237 GLU_20 -4.09213 0.3708 2.79414 0.00291 -0.91166 0 0 0 -0.37446 -0.30698 0 -0.23131 0.01682 2.97167 -0.12804 -1.55374 -1.44198 ILE_21 -6.25643 0.63097 1.82061 0.02045 -0.26186 0 0 0 0 0 0 -0.04702 0.0049 0.09664 -0.08713 0.8318 -3.24707 LYS_22 -5.75681 0.62442 3.85108 0.00539 -2.10406 0 0 0 0 -0.59626 0 -0.2109 0.14112 1.81845 -0.04917 -0.28737 -2.56411 LYS_23 -3.72908 0.35233 2.05884 0.00307 -0.21784 0 0 0 0 0 0 -0.19112 0.12067 0.85296 -0.04699 -0.28737 -1.08453 TRP_24 -5.75886 0.57417 1.97077 0.02509 -0.26302 0 0 0 0 0 0 -0.16783 0.01553 1.36889 -0.01684 0.92933 -1.32277 LEU_25 -6.50095 0.69373 1.74437 0.00648 -0.38693 0 0 0 0 0 0 -0.11318 0.08254 0.2531 -0.12299 0.60233 -3.7415 LYS_26 -3.30557 0.26779 1.66162 0.00309 -0.0225 0 0 0 0 0 0 -0.23226 0.14476 0.77001 -0.04329 -0.28737 -1.04372 LYS_27 -2.37853 0.26649 1.31939 0.00311 0.0247 0 0 0 0 0 0 -0.23882 0.08222 0.75054 -0.034 -0.28737 -0.49227 ALA_28 -2.18663 0.15743 0.92565 0.00076 -0.06047 0 0 0 0 0 0 -0.23699 0.0337 0 -0.16935 0.59294 -0.94295 GLY_29 -1.27651 0.14808 0.86619 2e-05 0.06148 0 0 0 0 0 0 0.04527 0.00729 0 -0.78982 0.14053 -0.79747 ALA_30 -2.4096 0.10357 1.04375 0.00077 0.06648 0 0 0 0 0 0 -0.324 0.03261 0 -0.12537 0.59294 -1.01886 SER_31 -3.17099 0.38707 2.53547 0.00151 -0.96552 0 0 0 -0.50028 -0.31634 0 -0.2852 0.0001 0.12613 -0.2292 0.17658 -2.24068 GLU_32 -3.16011 0.25858 2.33127 0.00723 -1.04083 0 0 0 0 -0.40218 0 -0.13279 0.00057 2.19617 -0.08389 -1.55374 -1.57972 ASP_33 -2.46586 0.23592 1.70374 0.00336 -0.1433 0 0 0 0 0 0 -0.08067 0.00828 1.29551 0.05668 -1.28682 -0.67317 GLU_34 -4.84829 0.33473 3.48268 0.00294 -1.16501 0 0 0 -0.50028 -0.31634 0 -0.23468 0.00259 2.85531 -0.1241 -1.55374 -2.06418 ILE_35 -5.46606 0.4086 2.02824 0.02067 -0.23614 0 0 0 0 0 0 -0.02668 0.00397 0.08104 -0.1066 0.8318 -2.46116 ARG_36 -4.27762 0.2998 2.96014 0.00954 -1.17098 0 0 0 0 -0.40218 0 -0.19799 0.05725 1.61757 -0.08575 -0.14916 -1.33938 GLU_37 -3.96419 0.29505 3.01103 0.0071 -0.90697 0 0 0 0 -0.25814 0 -0.09443 0.00954 2.10977 -0.1087 -1.55374 -1.45368 ILE_38 -5.41175 0.71333 1.95027 0.02067 -0.35377 0 0 0 0 0 0 -0.02725 0.01866 0.08291 -0.06167 0.8318 -2.2368 GLU_39 -4.5974 0.47001 3.24214 0.00613 -1.16655 0 0 0 0 -0.33702 0 -0.11785 0.01351 2.4243 -0.08107 -1.55374 -1.69755 LYS_40 -2.97338 0.26596 1.71889 0.00311 -0.00274 0 0 0 0 0 0 -0.22596 0.0045 0.77182 -0.04715 -0.28737 -0.77233 GLU_41 -3.52657 0.31549 3.03854 0.00443 -0.80504 0 0 0 0 -0.26998 0 -0.24683 0.0748 2.11789 -0.16196 -1.55374 -1.01298 LEU_42 -5.18274 0.51402 1.48324 0.00705 0.26573 0 0 0 0 0 0 -0.12704 0.0117 0.17261 -0.12473 0.60233 -2.37784 ASP:CtermProteinFull_43 -2.32398 0.15605 2.27933 0.00363 -0.30283 0 0 0 0 -0.2598 0 0 0 2.1483 0 -1.28682 0.41387 #END_POSE_ENERGIES_TABLE nods_bigger.blueprint.44_try133_pass_20150322173538_0001_0001.pdb AlaCount 3 bb -0.0382633 buried_minus_exposed 3710.66 buried_np 5335.33 buried_over_exposed 3.28393 cavity_volume 10.2793 contact_all 260 contact_core_SASA 260 contact_core_SCN 260 degree 9.69767 degree_core_SASA 9.69767 degree_core_SCN 9.69767 exposed_hydrophobics 1624.67 holes 1.77532 mismatch_probability 0.0942139 one_core_each 1 pack 0.588977 percent_core_SASA 0.0930016 percent_core_SCN 0.139502 res_count_core_SASA 4 res_count_core_SCN 6 ss_sc 0.762367 two_core_each 1 unsat_hbond 2
HHH_rd1_0142.pdb
ATOM 1 N ARG A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA ARG A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C ARG A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O ARG A 1 1.268 2.383 -0.198 1.00 0.00 O ATOM 5 CB ARG A 1 1.993 -0.748 -1.212 1.00 0.00 C ATOM 6 CG ARG A 1 1.605 -2.217 -1.280 1.00 0.00 C ATOM 7 CD ARG A 1 2.058 -2.847 -2.546 1.00 0.00 C ATOM 8 NE ARG A 1 1.763 -4.270 -2.579 1.00 0.00 N ATOM 9 CZ ARG A 1 0.604 -4.802 -3.015 1.00 0.00 C ATOM 10 NH1 ARG A 1 -0.357 -4.016 -3.449 1.00 0.00 N ATOM 11 NH2 ARG A 1 0.433 -6.112 -3.005 1.00 0.00 N ATOM 12 1H ARG A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 13 2H ARG A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 14 3H ARG A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 15 HA ARG A 1 1.804 -0.506 0.902 1.00 0.00 H ATOM 16 1HB ARG A 1 1.635 -0.270 -2.122 1.00 0.00 H ATOM 17 2HB ARG A 1 3.082 -0.695 -1.221 1.00 0.00 H ATOM 18 1HG ARG A 1 2.061 -2.753 -0.447 1.00 0.00 H ATOM 19 2HG ARG A 1 0.519 -2.309 -1.220 1.00 0.00 H ATOM 20 1HD ARG A 1 1.554 -2.375 -3.388 1.00 0.00 H ATOM 21 2HD ARG A 1 3.135 -2.720 -2.650 1.00 0.00 H ATOM 22 HE ARG A 1 2.479 -4.907 -2.253 1.00 0.00 H ATOM 23 1HH1 ARG A 1 -0.226 -3.015 -3.456 1.00 0.00 H ATOM 24 2HH1 ARG A 1 -1.225 -4.414 -3.775 1.00 0.00 H ATOM 25 1HH2 ARG A 1 1.172 -6.716 -2.671 1.00 0.00 H ATOM 26 2HH2 ARG A 1 -0.435 -6.510 -3.331 1.00 0.00 H ATOM 27 N LYS A 2 3.313 1.544 0.224 1.00 0.00 N ATOM 28 CA LYS A 2 3.955 2.850 0.308 1.00 0.00 C ATOM 29 C LYS A 2 3.853 3.601 -1.013 1.00 0.00 C ATOM 30 O LYS A 2 3.341 4.719 -1.064 1.00 0.00 O ATOM 31 CB LYS A 2 5.422 2.700 0.716 1.00 0.00 C ATOM 32 CG LYS A 2 6.181 4.015 0.829 1.00 0.00 C ATOM 33 CD LYS A 2 7.618 3.787 1.273 1.00 0.00 C ATOM 34 CE LYS A 2 8.391 5.096 1.342 1.00 0.00 C ATOM 35 NZ LYS A 2 9.799 4.889 1.777 1.00 0.00 N ATOM 36 H LYS A 2 3.873 0.711 0.338 1.00 0.00 H ATOM 37 HA LYS A 2 3.454 3.433 1.082 1.00 0.00 H ATOM 38 1HB LYS A 2 5.482 2.195 1.680 1.00 0.00 H ATOM 39 2HB LYS A 2 5.940 2.076 -0.013 1.00 0.00 H ATOM 40 1HG LYS A 2 6.184 4.518 -0.139 1.00 0.00 H ATOM 41 2HG LYS A 2 5.684 4.661 1.552 1.00 0.00 H ATOM 42 1HD LYS A 2 7.624 3.319 2.258 1.00 0.00 H ATOM 43 2HD LYS A 2 8.115 3.120 0.570 1.00 0.00 H ATOM 44 1HE LYS A 2 8.393 5.569 0.361 1.00 0.00 H ATOM 45 2HE LYS A 2 7.903 5.771 2.045 1.00 0.00 H ATOM 46 1HZ LYS A 2 10.276 5.779 1.810 1.00 0.00 H ATOM 47 2HZ LYS A 2 9.810 4.467 2.695 1.00 0.00 H ATOM 48 3HZ LYS A 2 10.268 4.280 1.122 1.00 0.00 H ATOM 49 N TRP A 3 4.343 2.979 -2.081 1.00 0.00 N ATOM 50 CA TRP A 3 4.366 3.614 -3.393 1.00 0.00 C ATOM 51 C TRP A 3 2.955 3.901 -3.891 1.00 0.00 C ATOM 52 O TRP A 3 2.741 4.818 -4.683 1.00 0.00 O ATOM 53 CB TRP A 3 5.096 2.725 -4.402 1.00 0.00 C ATOM 54 CG TRP A 3 4.316 1.510 -4.804 1.00 0.00 C ATOM 55 CD1 TRP A 3 4.372 0.278 -4.225 1.00 0.00 C ATOM 56 CD2 TRP A 3 3.354 1.404 -5.881 1.00 0.00 C ATOM 57 NE1 TRP A 3 3.516 -0.584 -4.864 1.00 0.00 N ATOM 58 CE2 TRP A 3 2.884 0.089 -5.879 1.00 0.00 C ATOM 59 CE3 TRP A 3 2.862 2.307 -6.831 1.00 0.00 C ATOM 60 CZ2 TRP A 3 1.941 -0.355 -6.794 1.00 0.00 C ATOM 61 CZ3 TRP A 3 1.916 1.863 -7.748 1.00 0.00 C ATOM 62 CH2 TRP A 3 1.468 0.566 -7.728 1.00 0.00 C ATOM 63 H TRP A 3 4.708 2.043 -1.980 1.00 0.00 H ATOM 64 HA TRP A 3 4.907 4.557 -3.312 1.00 0.00 H ATOM 65 1HB TRP A 3 5.319 3.302 -5.300 1.00 0.00 H ATOM 66 2HB TRP A 3 6.046 2.399 -3.979 1.00 0.00 H ATOM 67 HD1 TRP A 3 5.003 0.016 -3.378 1.00 0.00 H ATOM 68 HE1 TRP A 3 3.374 -1.556 -4.627 1.00 0.00 H ATOM 69 HE3 TRP A 3 3.212 3.339 -6.849 1.00 0.00 H ATOM 70 HZ2 TRP A 3 1.573 -1.381 -6.795 1.00 0.00 H ATOM 71 HZ3 TRP A 3 1.538 2.572 -8.485 1.00 0.00 H ATOM 72 HH2 TRP A 3 0.725 0.251 -8.462 1.00 0.00 H ATOM 73 N GLU A 4 1.996 3.110 -3.422 1.00 0.00 N ATOM 74 CA GLU A 4 0.591 3.340 -3.738 1.00 0.00 C ATOM 75 C GLU A 4 0.090 4.634 -3.110 1.00 0.00 C ATOM 76 O GLU A 4 -0.575 5.437 -3.765 1.00 0.00 O ATOM 77 CB GLU A 4 -0.263 2.165 -3.259 1.00 0.00 C ATOM 78 CG GLU A 4 -0.047 0.873 -4.035 1.00 0.00 C ATOM 79 CD GLU A 4 -0.780 -0.297 -3.439 1.00 0.00 C ATOM 80 OE1 GLU A 4 -1.308 -0.157 -2.362 1.00 0.00 O ATOM 81 OE2 GLU A 4 -0.812 -1.332 -4.063 1.00 0.00 O ATOM 82 H GLU A 4 2.245 2.330 -2.832 1.00 0.00 H ATOM 83 HA GLU A 4 0.488 3.415 -4.822 1.00 0.00 H ATOM 84 1HB GLU A 4 -0.050 1.964 -2.209 1.00 0.00 H ATOM 85 2HB GLU A 4 -1.319 2.427 -3.334 1.00 0.00 H ATOM 86 1HG GLU A 4 -0.387 1.016 -5.060 1.00 0.00 H ATOM 87 2HG GLU A 4 1.019 0.652 -4.062 1.00 0.00 H ATOM 88 N GLU A 5 0.412 4.831 -1.836 1.00 0.00 N ATOM 89 CA GLU A 5 0.080 6.071 -1.144 1.00 0.00 C ATOM 90 C GLU A 5 0.697 7.274 -1.845 1.00 0.00 C ATOM 91 O GLU A 5 0.046 8.305 -2.017 1.00 0.00 O ATOM 92 CB GLU A 5 0.557 6.015 0.309 1.00 0.00 C ATOM 93 CG GLU A 5 0.218 7.251 1.130 1.00 0.00 C ATOM 94 CD GLU A 5 0.629 7.127 2.571 1.00 0.00 C ATOM 95 OE1 GLU A 5 1.109 6.084 2.944 1.00 0.00 O ATOM 96 OE2 GLU A 5 0.463 8.077 3.299 1.00 0.00 O ATOM 97 H GLU A 5 0.899 4.102 -1.333 1.00 0.00 H ATOM 98 HA GLU A 5 -1.004 6.185 -1.140 1.00 0.00 H ATOM 99 1HB GLU A 5 0.113 5.151 0.805 1.00 0.00 H ATOM 100 2HB GLU A 5 1.639 5.884 0.332 1.00 0.00 H ATOM 101 1HG GLU A 5 0.721 8.113 0.694 1.00 0.00 H ATOM 102 2HG GLU A 5 -0.856 7.426 1.077 1.00 0.00 H ATOM 103 N ILE A 6 1.955 7.137 -2.248 1.00 0.00 N ATOM 104 CA ILE A 6 2.646 8.195 -2.977 1.00 0.00 C ATOM 105 C ILE A 6 1.905 8.555 -4.258 1.00 0.00 C ATOM 106 O ILE A 6 1.721 9.731 -4.570 1.00 0.00 O ATOM 107 CB ILE A 6 4.088 7.776 -3.318 1.00 0.00 C ATOM 108 CG1 ILE A 6 4.932 7.683 -2.044 1.00 0.00 C ATOM 109 CG2 ILE A 6 4.708 8.756 -4.302 1.00 0.00 C ATOM 110 CD1 ILE A 6 6.275 7.021 -2.249 1.00 0.00 C ATOM 111 H ILE A 6 2.447 6.279 -2.043 1.00 0.00 H ATOM 112 HA ILE A 6 2.694 9.079 -2.340 1.00 0.00 H ATOM 113 HB ILE A 6 4.081 6.782 -3.764 1.00 0.00 H ATOM 114 1HG1 ILE A 6 5.102 8.684 -1.647 1.00 0.00 H ATOM 115 2HG1 ILE A 6 4.387 7.120 -1.286 1.00 0.00 H ATOM 116 1HG2 ILE A 6 5.727 8.445 -4.531 1.00 0.00 H ATOM 117 2HG2 ILE A 6 4.119 8.773 -5.218 1.00 0.00 H ATOM 118 3HG2 ILE A 6 4.723 9.753 -3.861 1.00 0.00 H ATOM 119 1HD1 ILE A 6 6.815 6.992 -1.302 1.00 0.00 H ATOM 120 2HD1 ILE A 6 6.128 6.004 -2.613 1.00 0.00 H ATOM 121 3HD1 ILE A 6 6.853 7.588 -2.978 1.00 0.00 H ATOM 122 N ALA A 7 1.480 7.535 -4.996 1.00 0.00 N ATOM 123 CA ALA A 7 0.716 7.742 -6.221 1.00 0.00 C ATOM 124 C ALA A 7 -0.584 8.484 -5.940 1.00 0.00 C ATOM 125 O ALA A 7 -0.997 9.348 -6.714 1.00 0.00 O ATOM 126 CB ALA A 7 0.429 6.410 -6.897 1.00 0.00 C ATOM 127 H ALA A 7 1.692 6.593 -4.702 1.00 0.00 H ATOM 128 HA ALA A 7 1.317 8.338 -6.908 1.00 0.00 H ATOM 129 1HB ALA A 7 -0.142 6.581 -7.810 1.00 0.00 H ATOM 130 2HB ALA A 7 1.369 5.917 -7.145 1.00 0.00 H ATOM 131 3HB ALA A 7 -0.146 5.776 -6.224 1.00 0.00 H ATOM 132 N GLU A 8 -1.226 8.143 -4.828 1.00 0.00 N ATOM 133 CA GLU A 8 -2.468 8.795 -4.429 1.00 0.00 C ATOM 134 C GLU A 8 -2.229 10.252 -4.052 1.00 0.00 C ATOM 135 O GLU A 8 -3.063 11.117 -4.321 1.00 0.00 O ATOM 136 CB GLU A 8 -3.107 8.052 -3.253 1.00 0.00 C ATOM 137 CG GLU A 8 -3.685 6.690 -3.609 1.00 0.00 C ATOM 138 CD GLU A 8 -4.773 6.768 -4.644 1.00 0.00 C ATOM 139 OE1 GLU A 8 -5.587 7.656 -4.556 1.00 0.00 O ATOM 140 OE2 GLU A 8 -4.789 5.940 -5.523 1.00 0.00 O ATOM 141 H GLU A 8 -0.844 7.413 -4.243 1.00 0.00 H ATOM 142 HA GLU A 8 -3.162 8.760 -5.269 1.00 0.00 H ATOM 143 1HB GLU A 8 -2.364 7.906 -2.468 1.00 0.00 H ATOM 144 2HB GLU A 8 -3.910 8.658 -2.834 1.00 0.00 H ATOM 145 1HG GLU A 8 -2.884 6.055 -3.988 1.00 0.00 H ATOM 146 2HG GLU A 8 -4.081 6.228 -2.706 1.00 0.00 H ATOM 147 N ARG A 9 -1.086 10.517 -3.429 1.00 0.00 N ATOM 148 CA ARG A 9 -0.695 11.880 -3.094 1.00 0.00 C ATOM 149 C ARG A 9 -0.480 12.716 -4.349 1.00 0.00 C ATOM 150 O ARG A 9 -0.850 13.889 -4.396 1.00 0.00 O ATOM 151 CB ARG A 9 0.580 11.883 -2.263 1.00 0.00 C ATOM 152 CG ARG A 9 0.423 11.345 -0.849 1.00 0.00 C ATOM 153 CD ARG A 9 1.717 11.330 -0.120 1.00 0.00 C ATOM 154 NE ARG A 9 1.601 10.685 1.178 1.00 0.00 N ATOM 155 CZ ARG A 9 2.566 10.678 2.118 1.00 0.00 C ATOM 156 NH1 ARG A 9 3.709 11.285 1.890 1.00 0.00 N ATOM 157 NH2 ARG A 9 2.362 10.062 3.269 1.00 0.00 N ATOM 158 H ARG A 9 -0.473 9.753 -3.181 1.00 0.00 H ATOM 159 HA ARG A 9 -1.492 12.334 -2.503 1.00 0.00 H ATOM 160 1HB ARG A 9 1.340 11.282 -2.761 1.00 0.00 H ATOM 161 2HB ARG A 9 0.964 12.900 -2.188 1.00 0.00 H ATOM 162 1HG ARG A 9 -0.275 11.975 -0.296 1.00 0.00 H ATOM 163 2HG ARG A 9 0.038 10.325 -0.888 1.00 0.00 H ATOM 164 1HD ARG A 9 2.457 10.786 -0.706 1.00 0.00 H ATOM 165 2HD ARG A 9 2.058 12.352 0.037 1.00 0.00 H ATOM 166 HE ARG A 9 0.735 10.207 1.390 1.00 0.00 H ATOM 167 1HH1 ARG A 9 3.865 11.756 1.010 1.00 0.00 H ATOM 168 2HH1 ARG A 9 4.433 11.280 2.595 1.00 0.00 H ATOM 169 1HH2 ARG A 9 1.483 9.595 3.444 1.00 0.00 H ATOM 170 2HH2 ARG A 9 3.085 10.057 3.974 1.00 0.00 H ATOM 171 N LEU A 10 0.119 12.105 -5.365 1.00 0.00 N ATOM 172 CA LEU A 10 0.294 12.759 -6.657 1.00 0.00 C ATOM 173 C LEU A 10 -1.050 13.066 -7.305 1.00 0.00 C ATOM 174 O LEU A 10 -1.261 14.159 -7.831 1.00 0.00 O ATOM 175 CB LEU A 10 1.128 11.873 -7.591 1.00 0.00 C ATOM 176 CG LEU A 10 2.584 11.643 -7.165 1.00 0.00 C ATOM 177 CD1 LEU A 10 3.212 10.581 -8.056 1.00 0.00 C ATOM 178 CD2 LEU A 10 3.351 12.954 -7.251 1.00 0.00 C ATOM 179 H LEU A 10 0.463 11.164 -5.240 1.00 0.00 H ATOM 180 HA LEU A 10 0.829 13.696 -6.501 1.00 0.00 H ATOM 181 1HB LEU A 10 0.647 10.899 -7.666 1.00 0.00 H ATOM 182 2HB LEU A 10 1.140 12.327 -8.581 1.00 0.00 H ATOM 183 HG LEU A 10 2.609 11.275 -6.139 1.00 0.00 H ATOM 184 1HD1 LEU A 10 4.247 10.418 -7.754 1.00 0.00 H ATOM 185 2HD1 LEU A 10 2.655 9.649 -7.960 1.00 0.00 H ATOM 186 3HD1 LEU A 10 3.186 10.915 -9.093 1.00 0.00 H ATOM 187 1HD2 LEU A 10 4.386 12.791 -6.948 1.00 0.00 H ATOM 188 2HD2 LEU A 10 3.328 13.322 -8.277 1.00 0.00 H ATOM 189 3HD2 LEU A 10 2.891 13.689 -6.591 1.00 0.00 H ATOM 190 N ARG A 11 -1.957 12.096 -7.263 1.00 0.00 N ATOM 191 CA ARG A 11 -3.282 12.259 -7.850 1.00 0.00 C ATOM 192 C ARG A 11 -4.008 13.454 -7.246 1.00 0.00 C ATOM 193 O ARG A 11 -4.549 14.293 -7.967 1.00 0.00 O ATOM 194 CB ARG A 11 -4.117 11.005 -7.643 1.00 0.00 C ATOM 195 CG ARG A 11 -5.534 11.082 -8.189 1.00 0.00 C ATOM 196 CD ARG A 11 -6.300 9.842 -7.908 1.00 0.00 C ATOM 197 NE ARG A 11 -6.432 9.598 -6.480 1.00 0.00 N ATOM 198 CZ ARG A 11 -7.274 10.263 -5.665 1.00 0.00 C ATOM 199 NH1 ARG A 11 -8.050 11.207 -6.151 1.00 0.00 N ATOM 200 NH2 ARG A 11 -7.320 9.966 -4.378 1.00 0.00 N ATOM 201 H ARG A 11 -1.723 11.222 -6.813 1.00 0.00 H ATOM 202 HA ARG A 11 -3.167 12.424 -8.922 1.00 0.00 H ATOM 203 1HB ARG A 11 -3.626 10.158 -8.120 1.00 0.00 H ATOM 204 2HB ARG A 11 -4.187 10.785 -6.577 1.00 0.00 H ATOM 205 1HG ARG A 11 -6.057 11.920 -7.728 1.00 0.00 H ATOM 206 2HG ARG A 11 -5.500 11.227 -9.270 1.00 0.00 H ATOM 207 1HD ARG A 11 -7.300 9.927 -8.333 1.00 0.00 H ATOM 208 2HD ARG A 11 -5.789 8.989 -8.353 1.00 0.00 H ATOM 209 HE ARG A 11 -5.852 8.878 -6.071 1.00 0.00 H ATOM 210 1HH1 ARG A 11 -8.015 11.434 -7.134 1.00 0.00 H ATOM 211 2HH1 ARG A 11 -8.681 11.705 -5.540 1.00 0.00 H ATOM 212 1HH2 ARG A 11 -6.724 9.240 -4.005 1.00 0.00 H ATOM 213 2HH2 ARG A 11 -7.951 10.464 -3.768 1.00 0.00 H ATOM 214 N GLU A 12 -4.015 13.528 -5.920 1.00 0.00 N ATOM 215 CA GLU A 12 -4.770 14.556 -5.213 1.00 0.00 C ATOM 216 C GLU A 12 -4.098 15.917 -5.340 1.00 0.00 C ATOM 217 O GLU A 12 -4.754 16.920 -5.622 1.00 0.00 O ATOM 218 CB GLU A 12 -4.921 14.187 -3.736 1.00 0.00 C ATOM 219 CG GLU A 12 -5.839 13.001 -3.475 1.00 0.00 C ATOM 220 CD GLU A 12 -5.955 12.661 -2.015 1.00 0.00 C ATOM 221 OE1 GLU A 12 -5.194 13.188 -1.240 1.00 0.00 O ATOM 222 OE2 GLU A 12 -6.805 11.873 -1.675 1.00 0.00 O ATOM 223 H GLU A 12 -3.485 12.853 -5.387 1.00 0.00 H ATOM 224 HA GLU A 12 -5.767 14.616 -5.652 1.00 0.00 H ATOM 225 1HB GLU A 12 -3.942 13.951 -3.318 1.00 0.00 H ATOM 226 2HB GLU A 12 -5.314 15.042 -3.186 1.00 0.00 H ATOM 227 1HG GLU A 12 -6.831 13.231 -3.862 1.00 0.00 H ATOM 228 2HG GLU A 12 -5.460 12.136 -4.016 1.00 0.00 H ATOM 229 N GLU A 13 -2.786 15.945 -5.131 1.00 0.00 N ATOM 230 CA GLU A 13 -2.044 17.200 -5.088 1.00 0.00 C ATOM 231 C GLU A 13 -2.072 17.903 -6.439 1.00 0.00 C ATOM 232 O GLU A 13 -2.376 19.093 -6.524 1.00 0.00 O ATOM 233 CB GLU A 13 -0.595 16.948 -4.664 1.00 0.00 C ATOM 234 CG GLU A 13 0.253 18.206 -4.546 1.00 0.00 C ATOM 235 CD GLU A 13 1.657 17.925 -4.087 1.00 0.00 C ATOM 236 OE1 GLU A 13 1.996 16.775 -3.945 1.00 0.00 O ATOM 237 OE2 GLU A 13 2.391 18.862 -3.879 1.00 0.00 O ATOM 238 H GLU A 13 -2.290 15.076 -4.999 1.00 0.00 H ATOM 239 HA GLU A 13 -2.507 17.850 -4.345 1.00 0.00 H ATOM 240 1HB GLU A 13 -0.581 16.444 -3.698 1.00 0.00 H ATOM 241 2HB GLU A 13 -0.114 16.287 -5.385 1.00 0.00 H ATOM 242 1HG GLU A 13 0.292 18.698 -5.518 1.00 0.00 H ATOM 243 2HG GLU A 13 -0.224 18.889 -3.844 1.00 0.00 H ATOM 244 N PHE A 14 -1.754 17.161 -7.494 1.00 0.00 N ATOM 245 CA PHE A 14 -1.562 17.748 -8.815 1.00 0.00 C ATOM 246 C PHE A 14 -2.808 17.588 -9.675 1.00 0.00 C ATOM 247 O PHE A 14 -2.883 18.123 -10.782 1.00 0.00 O ATOM 248 CB PHE A 14 -0.365 17.105 -9.517 1.00 0.00 C ATOM 249 CG PHE A 14 0.948 17.359 -8.832 1.00 0.00 C ATOM 250 CD1 PHE A 14 1.484 16.423 -7.960 1.00 0.00 C ATOM 251 CD2 PHE A 14 1.649 18.534 -9.058 1.00 0.00 C ATOM 252 CE1 PHE A 14 2.692 16.655 -7.329 1.00 0.00 C ATOM 253 CE2 PHE A 14 2.857 18.768 -8.430 1.00 0.00 C ATOM 254 CZ PHE A 14 3.378 17.828 -7.564 1.00 0.00 C ATOM 255 H PHE A 14 -1.642 16.164 -7.378 1.00 0.00 H ATOM 256 HA PHE A 14 -1.355 18.812 -8.693 1.00 0.00 H ATOM 257 1HB PHE A 14 -0.515 16.028 -9.577 1.00 0.00 H ATOM 258 2HB PHE A 14 -0.295 17.483 -10.536 1.00 0.00 H ATOM 259 HD1 PHE A 14 0.941 15.495 -7.775 1.00 0.00 H ATOM 260 HD2 PHE A 14 1.237 19.277 -9.741 1.00 0.00 H ATOM 261 HE1 PHE A 14 3.101 15.911 -6.647 1.00 0.00 H ATOM 262 HE2 PHE A 14 3.398 19.696 -8.616 1.00 0.00 H ATOM 263 HZ PHE A 14 4.329 18.012 -7.067 1.00 0.00 H ATOM 264 N ASN A 15 -3.786 16.849 -9.161 1.00 0.00 N ATOM 265 CA ASN A 15 -5.029 16.611 -9.885 1.00 0.00 C ATOM 266 C ASN A 15 -4.769 15.901 -11.207 1.00 0.00 C ATOM 267 O ASN A 15 -5.070 16.430 -12.277 1.00 0.00 O ATOM 268 CB ASN A 15 -5.770 17.916 -10.116 1.00 0.00 C ATOM 269 CG ASN A 15 -7.202 17.702 -10.522 1.00 0.00 C ATOM 270 OD1 ASN A 15 -7.827 16.707 -10.138 1.00 0.00 O ATOM 271 ND2 ASN A 15 -7.733 18.618 -11.291 1.00 0.00 N ATOM 272 H ASN A 15 -3.664 16.442 -8.245 1.00 0.00 H ATOM 273 HA ASN A 15 -5.659 15.955 -9.283 1.00 0.00 H ATOM 274 1HB ASN A 15 -5.748 18.513 -9.204 1.00 0.00 H ATOM 275 2HB ASN A 15 -5.265 18.488 -10.895 1.00 0.00 H ATOM 276 1HD2 ASN A 15 -8.683 18.528 -11.593 1.00 0.00 H ATOM 277 2HD2 ASN A 15 -7.190 19.406 -11.578 1.00 0.00 H ATOM 278 N ILE A 16 -4.208 14.699 -11.127 1.00 0.00 N ATOM 279 CA ILE A 16 -3.790 13.967 -12.317 1.00 0.00 C ATOM 280 C ILE A 16 -4.441 12.592 -12.375 1.00 0.00 C ATOM 281 O ILE A 16 -5.095 12.163 -11.424 1.00 0.00 O ATOM 282 CB ILE A 16 -2.259 13.814 -12.357 1.00 0.00 C ATOM 283 CG1 ILE A 16 -1.772 13.000 -11.155 1.00 0.00 C ATOM 284 CG2 ILE A 16 -1.588 15.178 -12.387 1.00 0.00 C ATOM 285 CD1 ILE A 16 -0.326 12.572 -11.253 1.00 0.00 C ATOM 286 H ILE A 16 -4.068 14.281 -10.218 1.00 0.00 H ATOM 287 HA ILE A 16 -4.047 14.555 -13.211 1.00 0.00 H ATOM 288 HB ILE A 16 -1.973 13.259 -13.250 1.00 0.00 H ATOM 289 1HG1 ILE A 16 -1.894 13.586 -10.245 1.00 0.00 H ATOM 290 2HG1 ILE A 16 -2.385 12.104 -11.050 1.00 0.00 H ATOM 291 1HG2 ILE A 16 -0.506 15.051 -12.415 1.00 0.00 H ATOM 292 2HG2 ILE A 16 -1.912 15.723 -13.272 1.00 0.00 H ATOM 293 3HG2 ILE A 16 -1.864 15.739 -11.494 1.00 0.00 H ATOM 294 1HD1 ILE A 16 -0.055 12.000 -10.366 1.00 0.00 H ATOM 295 2HD1 ILE A 16 -0.188 11.953 -12.140 1.00 0.00 H ATOM 296 3HD1 ILE A 16 0.310 13.454 -11.323 1.00 0.00 H ATOM 297 N ASN A 17 -4.259 11.903 -13.496 1.00 0.00 N ATOM 298 CA ASN A 17 -4.746 10.537 -13.644 1.00 0.00 C ATOM 299 C ASN A 17 -3.951 9.571 -12.776 1.00 0.00 C ATOM 300 O ASN A 17 -2.726 9.661 -12.692 1.00 0.00 O ATOM 301 CB ASN A 17 -4.701 10.108 -15.099 1.00 0.00 C ATOM 302 CG ASN A 17 -5.484 8.851 -15.356 1.00 0.00 C ATOM 303 OD1 ASN A 17 -5.064 7.754 -14.971 1.00 0.00 O ATOM 304 ND2 ASN A 17 -6.615 8.989 -16.001 1.00 0.00 N ATOM 305 H ASN A 17 -3.769 12.337 -14.266 1.00 0.00 H ATOM 306 HA ASN A 17 -5.786 10.503 -13.318 1.00 0.00 H ATOM 307 1HB ASN A 17 -5.101 10.906 -15.727 1.00 0.00 H ATOM 308 2HB ASN A 17 -3.665 9.945 -15.398 1.00 0.00 H ATOM 309 1HD2 ASN A 17 -7.178 8.186 -16.200 1.00 0.00 H ATOM 310 2HD2 ASN A 17 -6.916 9.896 -16.294 1.00 0.00 H ATOM 311 N PRO A 18 -4.654 8.646 -12.131 1.00 0.00 N ATOM 312 CA PRO A 18 -4.011 7.640 -11.294 1.00 0.00 C ATOM 313 C PRO A 18 -2.870 6.954 -12.034 1.00 0.00 C ATOM 314 O PRO A 18 -1.849 6.611 -11.438 1.00 0.00 O ATOM 315 CB PRO A 18 -5.153 6.665 -10.989 1.00 0.00 C ATOM 316 CG PRO A 18 -6.374 7.521 -10.986 1.00 0.00 C ATOM 317 CD PRO A 18 -6.145 8.503 -12.104 1.00 0.00 C ATOM 318 HA PRO A 18 -3.608 8.133 -10.409 1.00 0.00 H ATOM 319 1HB PRO A 18 -5.188 5.875 -11.753 1.00 0.00 H ATOM 320 2HB PRO A 18 -4.977 6.170 -10.022 1.00 0.00 H ATOM 321 1HG PRO A 18 -7.271 6.904 -11.141 1.00 0.00 H ATOM 322 2HG PRO A 18 -6.491 8.012 -10.008 1.00 0.00 H ATOM 323 1HD PRO A 18 -6.528 8.082 -13.046 1.00 0.00 H ATOM 324 2HD PRO A 18 -6.651 9.451 -11.869 1.00 0.00 H ATOM 325 N GLU A 19 -3.050 6.757 -13.336 1.00 0.00 N ATOM 326 CA GLU A 19 -2.043 6.095 -14.156 1.00 0.00 C ATOM 327 C GLU A 19 -0.822 6.984 -14.355 1.00 0.00 C ATOM 328 O GLU A 19 0.308 6.499 -14.413 1.00 0.00 O ATOM 329 CB GLU A 19 -2.632 5.709 -15.515 1.00 0.00 C ATOM 330 CG GLU A 19 -3.693 4.620 -15.454 1.00 0.00 C ATOM 331 CD GLU A 19 -3.186 3.342 -14.847 1.00 0.00 C ATOM 332 OE1 GLU A 19 -2.079 2.963 -15.147 1.00 0.00 O ATOM 333 OE2 GLU A 19 -3.906 2.744 -14.083 1.00 0.00 O ATOM 334 H GLU A 19 -3.906 7.075 -13.768 1.00 0.00 H ATOM 335 HA GLU A 19 -1.731 5.181 -13.650 1.00 0.00 H ATOM 336 1HB GLU A 19 -3.080 6.588 -15.980 1.00 0.00 H ATOM 337 2HB GLU A 19 -1.834 5.363 -16.172 1.00 0.00 H ATOM 338 1HG GLU A 19 -4.535 4.980 -14.863 1.00 0.00 H ATOM 339 2HG GLU A 19 -4.052 4.421 -16.463 1.00 0.00 H ATOM 340 N GLU A 20 -1.056 8.288 -14.458 1.00 0.00 N ATOM 341 CA GLU A 20 0.029 9.257 -14.549 1.00 0.00 C ATOM 342 C GLU A 20 0.850 9.286 -13.265 1.00 0.00 C ATOM 343 O GLU A 20 2.074 9.413 -13.302 1.00 0.00 O ATOM 344 CB GLU A 20 -0.524 10.652 -14.843 1.00 0.00 C ATOM 345 CG GLU A 20 -1.083 10.823 -16.249 1.00 0.00 C ATOM 346 CD GLU A 20 -1.638 12.198 -16.494 1.00 0.00 C ATOM 347 OE1 GLU A 20 -2.523 12.598 -15.776 1.00 0.00 O ATOM 348 OE2 GLU A 20 -1.177 12.850 -17.402 1.00 0.00 O ATOM 349 H GLU A 20 -2.011 8.616 -14.475 1.00 0.00 H ATOM 350 HA GLU A 20 0.682 8.969 -15.374 1.00 0.00 H ATOM 351 1HB GLU A 20 -1.321 10.885 -14.136 1.00 0.00 H ATOM 352 2HB GLU A 20 0.263 11.393 -14.704 1.00 0.00 H ATOM 353 1HG GLU A 20 -0.289 10.630 -16.970 1.00 0.00 H ATOM 354 2HG GLU A 20 -1.868 10.086 -16.408 1.00 0.00 H ATOM 355 N ALA A 21 0.168 9.167 -12.131 1.00 0.00 N ATOM 356 CA ALA A 21 0.840 9.076 -10.840 1.00 0.00 C ATOM 357 C ALA A 21 1.711 7.829 -10.760 1.00 0.00 C ATOM 358 O ALA A 21 2.863 7.891 -10.329 1.00 0.00 O ATOM 359 CB ALA A 21 -0.180 9.082 -9.711 1.00 0.00 C ATOM 360 H ALA A 21 -0.841 9.140 -12.163 1.00 0.00 H ATOM 361 HA ALA A 21 1.474 9.954 -10.717 1.00 0.00 H ATOM 362 1HB ALA A 21 0.337 9.013 -8.753 1.00 0.00 H ATOM 363 2HB ALA A 21 -0.757 10.006 -9.746 1.00 0.00 H ATOM 364 3HB ALA A 21 -0.851 8.232 -9.822 1.00 0.00 H ATOM 365 N ARG A 22 1.155 6.697 -11.177 1.00 0.00 N ATOM 366 CA ARG A 22 1.898 5.443 -11.204 1.00 0.00 C ATOM 367 C ARG A 22 3.150 5.563 -12.064 1.00 0.00 C ATOM 368 O ARG A 22 4.230 5.121 -11.670 1.00 0.00 O ATOM 369 CB ARG A 22 1.027 4.315 -11.739 1.00 0.00 C ATOM 370 CG ARG A 22 1.714 2.962 -11.824 1.00 0.00 C ATOM 371 CD ARG A 22 0.786 1.904 -12.301 1.00 0.00 C ATOM 372 NE ARG A 22 0.294 2.178 -13.641 1.00 0.00 N ATOM 373 CZ ARG A 22 0.993 1.959 -14.772 1.00 0.00 C ATOM 374 NH1 ARG A 22 2.208 1.462 -14.708 1.00 0.00 N ATOM 375 NH2 ARG A 22 0.456 2.242 -15.946 1.00 0.00 N ATOM 376 H ARG A 22 0.193 6.705 -11.483 1.00 0.00 H ATOM 377 HA ARG A 22 2.196 5.194 -10.185 1.00 0.00 H ATOM 378 1HB ARG A 22 0.150 4.201 -11.102 1.00 0.00 H ATOM 379 2HB ARG A 22 0.675 4.570 -12.738 1.00 0.00 H ATOM 380 1HG ARG A 22 2.551 3.022 -12.519 1.00 0.00 H ATOM 381 2HG ARG A 22 2.080 2.677 -10.837 1.00 0.00 H ATOM 382 1HD ARG A 22 1.304 0.946 -12.317 1.00 0.00 H ATOM 383 2HD ARG A 22 -0.070 1.842 -11.630 1.00 0.00 H ATOM 384 HE ARG A 22 -0.638 2.561 -13.731 1.00 0.00 H ATOM 385 1HH1 ARG A 22 2.619 1.246 -13.811 1.00 0.00 H ATOM 386 2HH1 ARG A 22 2.732 1.298 -15.556 1.00 0.00 H ATOM 387 1HH2 ARG A 22 -0.479 2.623 -15.995 1.00 0.00 H ATOM 388 2HH2 ARG A 22 0.979 2.077 -16.793 1.00 0.00 H ATOM 389 N GLU A 23 3.000 6.164 -13.239 1.00 0.00 N ATOM 390 CA GLU A 23 4.130 6.402 -14.128 1.00 0.00 C ATOM 391 C GLU A 23 5.259 7.123 -13.403 1.00 0.00 C ATOM 392 O GLU A 23 6.408 6.680 -13.428 1.00 0.00 O ATOM 393 CB GLU A 23 3.689 7.218 -15.345 1.00 0.00 C ATOM 394 CG GLU A 23 4.816 7.580 -16.302 1.00 0.00 C ATOM 395 CD GLU A 23 4.367 8.474 -17.424 1.00 0.00 C ATOM 396 OE1 GLU A 23 3.182 8.638 -17.590 1.00 0.00 O ATOM 397 OE2 GLU A 23 5.210 8.993 -18.117 1.00 0.00 O ATOM 398 H GLU A 23 2.078 6.463 -13.524 1.00 0.00 H ATOM 399 HA GLU A 23 4.500 5.439 -14.483 1.00 0.00 H ATOM 400 1HB GLU A 23 2.940 6.659 -15.907 1.00 0.00 H ATOM 401 2HB GLU A 23 3.223 8.146 -15.012 1.00 0.00 H ATOM 402 1HG GLU A 23 5.604 8.085 -15.744 1.00 0.00 H ATOM 403 2HG GLU A 23 5.233 6.664 -16.718 1.00 0.00 H ATOM 404 N ALA A 24 4.926 8.236 -12.758 1.00 0.00 N ATOM 405 CA ALA A 24 5.921 9.052 -12.074 1.00 0.00 C ATOM 406 C ALA A 24 6.625 8.260 -10.979 1.00 0.00 C ATOM 407 O ALA A 24 7.844 8.339 -10.828 1.00 0.00 O ATOM 408 CB ALA A 24 5.274 10.299 -11.491 1.00 0.00 C ATOM 409 H ALA A 24 3.958 8.524 -12.742 1.00 0.00 H ATOM 410 HA ALA A 24 6.664 9.376 -12.803 1.00 0.00 H ATOM 411 1HB ALA A 24 6.029 10.898 -10.983 1.00 0.00 H ATOM 412 2HB ALA A 24 4.825 10.885 -12.293 1.00 0.00 H ATOM 413 3HB ALA A 24 4.502 10.010 -10.779 1.00 0.00 H ATOM 414 N VAL A 25 5.849 7.496 -10.217 1.00 0.00 N ATOM 415 CA VAL A 25 6.393 6.708 -9.117 1.00 0.00 C ATOM 416 C VAL A 25 7.359 5.646 -9.625 1.00 0.00 C ATOM 417 O VAL A 25 8.440 5.459 -9.068 1.00 0.00 O ATOM 418 CB VAL A 25 5.254 6.030 -8.332 1.00 0.00 C ATOM 419 CG1 VAL A 25 5.818 5.026 -7.338 1.00 0.00 C ATOM 420 CG2 VAL A 25 4.418 7.082 -7.620 1.00 0.00 C ATOM 421 H VAL A 25 4.857 7.460 -10.405 1.00 0.00 H ATOM 422 HA VAL A 25 6.931 7.378 -8.445 1.00 0.00 H ATOM 423 HB VAL A 25 4.626 5.475 -9.028 1.00 0.00 H ATOM 424 1HG1 VAL A 25 5.000 4.555 -6.792 1.00 0.00 H ATOM 425 2HG1 VAL A 25 6.383 4.262 -7.873 1.00 0.00 H ATOM 426 3HG1 VAL A 25 6.474 5.538 -6.635 1.00 0.00 H ATOM 427 1HG2 VAL A 25 3.614 6.596 -7.068 1.00 0.00 H ATOM 428 2HG2 VAL A 25 5.048 7.641 -6.928 1.00 0.00 H ATOM 429 3HG2 VAL A 25 3.991 7.765 -8.355 1.00 0.00 H ATOM 430 N GLU A 26 6.962 4.951 -10.686 1.00 0.00 N ATOM 431 CA GLU A 26 7.780 3.887 -11.255 1.00 0.00 C ATOM 432 C GLU A 26 9.082 4.437 -11.823 1.00 0.00 C ATOM 433 O GLU A 26 10.142 3.831 -11.670 1.00 0.00 O ATOM 434 CB GLU A 26 7.007 3.146 -12.348 1.00 0.00 C ATOM 435 CG GLU A 26 5.858 2.289 -11.836 1.00 0.00 C ATOM 436 CD GLU A 26 5.068 1.647 -12.942 1.00 0.00 C ATOM 437 OE1 GLU A 26 5.416 1.839 -14.083 1.00 0.00 O ATOM 438 OE2 GLU A 26 4.116 0.964 -12.646 1.00 0.00 O ATOM 439 H GLU A 26 6.070 5.166 -11.109 1.00 0.00 H ATOM 440 HA GLU A 26 8.017 3.173 -10.465 1.00 0.00 H ATOM 441 1HB GLU A 26 6.597 3.867 -13.056 1.00 0.00 H ATOM 442 2HB GLU A 26 7.688 2.498 -12.900 1.00 0.00 H ATOM 443 1HG GLU A 26 6.261 1.508 -11.192 1.00 0.00 H ATOM 444 2HG GLU A 26 5.195 2.910 -11.236 1.00 0.00 H ATOM 445 N LYS A 27 8.995 5.588 -12.481 1.00 0.00 N ATOM 446 CA LYS A 27 10.171 6.240 -13.043 1.00 0.00 C ATOM 447 C LYS A 27 11.043 6.843 -11.949 1.00 0.00 C ATOM 448 O LYS A 27 12.265 6.904 -12.080 1.00 0.00 O ATOM 449 CB LYS A 27 9.758 7.321 -14.043 1.00 0.00 C ATOM 450 CG LYS A 27 9.195 6.786 -15.352 1.00 0.00 C ATOM 451 CD LYS A 27 8.770 7.918 -16.276 1.00 0.00 C ATOM 452 CE LYS A 27 8.391 7.397 -17.654 1.00 0.00 C ATOM 453 NZ LYS A 27 7.880 8.480 -18.537 1.00 0.00 N ATOM 454 H LYS A 27 8.090 6.023 -12.593 1.00 0.00 H ATOM 455 HA LYS A 27 10.755 5.494 -13.584 1.00 0.00 H ATOM 456 1HB LYS A 27 9.001 7.964 -13.591 1.00 0.00 H ATOM 457 2HB LYS A 27 10.619 7.946 -14.280 1.00 0.00 H ATOM 458 1HG LYS A 27 9.952 6.183 -15.855 1.00 0.00 H ATOM 459 2HG LYS A 27 8.331 6.154 -15.146 1.00 0.00 H ATOM 460 1HD LYS A 27 7.914 8.438 -15.844 1.00 0.00 H ATOM 461 2HD LYS A 27 9.590 8.629 -16.380 1.00 0.00 H ATOM 462 1HE LYS A 27 9.262 6.942 -18.123 1.00 0.00 H ATOM 463 2HE LYS A 27 7.619 6.633 -17.554 1.00 0.00 H ATOM 464 1HZ LYS A 27 7.639 8.094 -19.439 1.00 0.00 H ATOM 465 2HZ LYS A 27 7.060 8.897 -18.120 1.00 0.00 H ATOM 466 3HZ LYS A 27 8.594 9.185 -18.653 1.00 0.00 H ATOM 467 N ALA A 28 10.407 7.288 -10.871 1.00 0.00 N ATOM 468 CA ALA A 28 11.129 7.780 -9.704 1.00 0.00 C ATOM 469 C ALA A 28 11.828 6.644 -8.968 1.00 0.00 C ATOM 470 O ALA A 28 12.900 6.831 -8.394 1.00 0.00 O ATOM 471 CB ALA A 28 10.183 8.515 -8.766 1.00 0.00 C ATOM 472 H ALA A 28 9.397 7.284 -10.859 1.00 0.00 H ATOM 473 HA ALA A 28 11.895 8.476 -10.049 1.00 0.00 H ATOM 474 1HB ALA A 28 10.737 8.877 -7.900 1.00 0.00 H ATOM 475 2HB ALA A 28 9.735 9.360 -9.289 1.00 0.00 H ATOM 476 3HB ALA A 28 9.398 7.836 -8.437 1.00 0.00 H ATOM 477 N GLY A 29 11.213 5.466 -8.989 1.00 0.00 N ATOM 478 CA GLY A 29 11.762 4.304 -8.302 1.00 0.00 C ATOM 479 C GLY A 29 11.241 4.211 -6.874 1.00 0.00 C ATOM 480 O GLY A 29 11.890 3.632 -6.003 1.00 0.00 O ATOM 481 H GLY A 29 10.343 5.374 -9.494 1.00 0.00 H ATOM 482 1HA GLY A 29 11.497 3.399 -8.850 1.00 0.00 H ATOM 483 2HA GLY A 29 12.850 4.366 -8.294 1.00 0.00 H ATOM 484 N GLY A 30 10.066 4.786 -6.639 1.00 0.00 N ATOM 485 CA GLY A 30 9.479 4.812 -5.305 1.00 0.00 C ATOM 486 C GLY A 30 9.872 6.079 -4.555 1.00 0.00 C ATOM 487 O GLY A 30 9.512 6.260 -3.392 1.00 0.00 O ATOM 488 H GLY A 30 9.567 5.215 -7.405 1.00 0.00 H ATOM 489 1HA GLY A 30 8.394 4.753 -5.384 1.00 0.00 H ATOM 490 2HA GLY A 30 9.808 3.937 -4.746 1.00 0.00 H ATOM 491 N ASN A 31 10.611 6.953 -5.229 1.00 0.00 N ATOM 492 CA ASN A 31 11.042 8.212 -4.632 1.00 0.00 C ATOM 493 C ASN A 31 9.955 9.273 -4.740 1.00 0.00 C ATOM 494 O ASN A 31 9.697 9.805 -5.820 1.00 0.00 O ATOM 495 CB ASN A 31 12.327 8.697 -5.278 1.00 0.00 C ATOM 496 CG ASN A 31 12.854 9.954 -4.644 1.00 0.00 C ATOM 497 OD1 ASN A 31 12.085 10.858 -4.297 1.00 0.00 O ATOM 498 ND2 ASN A 31 14.151 10.029 -4.485 1.00 0.00 N ATOM 499 H ASN A 31 10.882 6.741 -6.178 1.00 0.00 H ATOM 500 HA ASN A 31 11.248 8.041 -3.575 1.00 0.00 H ATOM 501 1HB ASN A 31 13.089 7.919 -5.202 1.00 0.00 H ATOM 502 2HB ASN A 31 12.154 8.883 -6.338 1.00 0.00 H ATOM 503 1HD2 ASN A 31 14.558 10.843 -4.069 1.00 0.00 H ATOM 504 2HD2 ASN A 31 14.735 9.274 -4.781 1.00 0.00 H ATOM 505 N GLU A 32 9.319 9.578 -3.613 1.00 0.00 N ATOM 506 CA GLU A 32 8.180 10.488 -3.599 1.00 0.00 C ATOM 507 C GLU A 32 8.549 11.843 -4.188 1.00 0.00 C ATOM 508 O GLU A 32 7.861 12.355 -5.071 1.00 0.00 O ATOM 509 CB GLU A 32 7.658 10.666 -2.172 1.00 0.00 C ATOM 510 CG GLU A 32 6.448 11.582 -2.054 1.00 0.00 C ATOM 511 CD GLU A 32 5.915 11.671 -0.651 1.00 0.00 C ATOM 512 OE1 GLU A 32 6.536 11.136 0.235 1.00 0.00 O ATOM 513 OE2 GLU A 32 4.885 12.275 -0.466 1.00 0.00 O ATOM 514 H GLU A 32 9.633 9.169 -2.745 1.00 0.00 H ATOM 515 HA GLU A 32 7.381 10.051 -4.200 1.00 0.00 H ATOM 516 1HB GLU A 32 7.383 9.695 -1.761 1.00 0.00 H ATOM 517 2HB GLU A 32 8.449 11.075 -1.543 1.00 0.00 H ATOM 518 1HG GLU A 32 6.728 12.581 -2.388 1.00 0.00 H ATOM 519 2HG GLU A 32 5.663 11.216 -2.714 1.00 0.00 H ATOM 520 N GLU A 33 9.640 12.419 -3.694 1.00 0.00 N ATOM 521 CA GLU A 33 10.081 13.735 -4.142 1.00 0.00 C ATOM 522 C GLU A 33 10.264 13.769 -5.654 1.00 0.00 C ATOM 523 O GLU A 33 9.759 14.665 -6.330 1.00 0.00 O ATOM 524 CB GLU A 33 11.390 14.123 -3.451 1.00 0.00 C ATOM 525 CG GLU A 33 11.954 15.469 -3.883 1.00 0.00 C ATOM 526 CD GLU A 33 13.277 15.781 -3.242 1.00 0.00 C ATOM 527 OE1 GLU A 33 13.608 15.149 -2.268 1.00 0.00 O ATOM 528 OE2 GLU A 33 13.959 16.654 -3.727 1.00 0.00 O ATOM 529 H GLU A 33 10.177 11.934 -2.990 1.00 0.00 H ATOM 530 HA GLU A 33 9.321 14.467 -3.865 1.00 0.00 H ATOM 531 1HB GLU A 33 11.236 14.155 -2.372 1.00 0.00 H ATOM 532 2HB GLU A 33 12.146 13.364 -3.651 1.00 0.00 H ATOM 533 1HG GLU A 33 12.079 15.469 -4.965 1.00 0.00 H ATOM 534 2HG GLU A 33 11.239 16.249 -3.627 1.00 0.00 H ATOM 535 N GLU A 34 10.990 12.788 -6.179 1.00 0.00 N ATOM 536 CA GLU A 34 11.288 12.734 -7.605 1.00 0.00 C ATOM 537 C GLU A 34 10.018 12.555 -8.427 1.00 0.00 C ATOM 538 O GLU A 34 9.861 13.164 -9.485 1.00 0.00 O ATOM 539 CB GLU A 34 12.264 11.594 -7.904 1.00 0.00 C ATOM 540 CG GLU A 34 12.640 11.456 -9.372 1.00 0.00 C ATOM 541 CD GLU A 34 13.383 12.651 -9.901 1.00 0.00 C ATOM 542 OE1 GLU A 34 13.924 13.387 -9.111 1.00 0.00 O ATOM 543 OE2 GLU A 34 13.411 12.827 -11.096 1.00 0.00 O ATOM 544 H GLU A 34 11.345 12.061 -5.575 1.00 0.00 H ATOM 545 HA GLU A 34 11.763 13.672 -7.895 1.00 0.00 H ATOM 546 1HB GLU A 34 13.183 11.743 -7.336 1.00 0.00 H ATOM 547 2HB GLU A 34 11.829 10.648 -7.579 1.00 0.00 H ATOM 548 1HG GLU A 34 13.263 10.571 -9.495 1.00 0.00 H ATOM 549 2HG GLU A 34 11.732 11.311 -9.956 1.00 0.00 H ATOM 550 N ALA A 35 9.112 11.718 -7.933 1.00 0.00 N ATOM 551 CA ALA A 35 7.833 11.494 -8.596 1.00 0.00 C ATOM 552 C ALA A 35 7.017 12.778 -8.666 1.00 0.00 C ATOM 553 O ALA A 35 6.363 13.055 -9.671 1.00 0.00 O ATOM 554 CB ALA A 35 7.048 10.406 -7.878 1.00 0.00 C ATOM 555 H ALA A 35 9.315 11.223 -7.076 1.00 0.00 H ATOM 556 HA ALA A 35 8.026 11.146 -9.612 1.00 0.00 H ATOM 557 1HB ALA A 35 6.095 10.250 -8.385 1.00 0.00 H ATOM 558 2HB ALA A 35 7.620 9.478 -7.888 1.00 0.00 H ATOM 559 3HB ALA A 35 6.865 10.708 -6.848 1.00 0.00 H ATOM 560 N ARG A 36 7.058 13.558 -7.591 1.00 0.00 N ATOM 561 CA ARG A 36 6.373 14.845 -7.552 1.00 0.00 C ATOM 562 C ARG A 36 6.995 15.830 -8.533 1.00 0.00 C ATOM 563 O ARG A 36 6.296 16.635 -9.148 1.00 0.00 O ATOM 564 CB ARG A 36 6.419 15.433 -6.150 1.00 0.00 C ATOM 565 CG ARG A 36 5.576 14.698 -5.120 1.00 0.00 C ATOM 566 CD ARG A 36 5.694 15.313 -3.773 1.00 0.00 C ATOM 567 NE ARG A 36 5.085 16.633 -3.725 1.00 0.00 N ATOM 568 CZ ARG A 36 5.773 17.791 -3.667 1.00 0.00 C ATOM 569 NH1 ARG A 36 7.087 17.775 -3.651 1.00 0.00 N ATOM 570 NH2 ARG A 36 5.125 18.942 -3.627 1.00 0.00 N ATOM 571 H ARG A 36 7.577 13.252 -6.780 1.00 0.00 H ATOM 572 HA ARG A 36 5.329 14.690 -7.827 1.00 0.00 H ATOM 573 1HB ARG A 36 7.447 15.438 -5.791 1.00 0.00 H ATOM 574 2HB ARG A 36 6.077 16.468 -6.178 1.00 0.00 H ATOM 575 1HG ARG A 36 4.528 14.727 -5.420 1.00 0.00 H ATOM 576 2HG ARG A 36 5.906 13.660 -5.053 1.00 0.00 H ATOM 577 1HD ARG A 36 5.194 14.681 -3.039 1.00 0.00 H ATOM 578 2HD ARG A 36 6.746 15.413 -3.510 1.00 0.00 H ATOM 579 HE ARG A 36 4.075 16.686 -3.736 1.00 0.00 H ATOM 580 1HH1 ARG A 36 7.582 16.894 -3.682 1.00 0.00 H ATOM 581 2HH1 ARG A 36 7.602 18.642 -3.608 1.00 0.00 H ATOM 582 1HH2 ARG A 36 4.114 18.955 -3.639 1.00 0.00 H ATOM 583 2HH2 ARG A 36 5.640 19.809 -3.584 1.00 0.00 H ATOM 584 N ARG A 37 8.315 15.761 -8.676 1.00 0.00 N ATOM 585 CA ARG A 37 9.023 16.579 -9.653 1.00 0.00 C ATOM 586 C ARG A 37 8.638 16.195 -11.076 1.00 0.00 C ATOM 587 O ARG A 37 8.470 17.058 -11.938 1.00 0.00 O ATOM 588 CB ARG A 37 10.528 16.434 -9.482 1.00 0.00 C ATOM 589 CG ARG A 37 11.092 17.070 -8.221 1.00 0.00 C ATOM 590 CD ARG A 37 12.558 16.858 -8.108 1.00 0.00 C ATOM 591 NE ARG A 37 13.085 17.368 -6.852 1.00 0.00 N ATOM 592 CZ ARG A 37 13.424 18.652 -6.630 1.00 0.00 C ATOM 593 NH1 ARG A 37 13.286 19.543 -7.587 1.00 0.00 N ATOM 594 NH2 ARG A 37 13.895 19.017 -5.450 1.00 0.00 N ATOM 595 H ARG A 37 8.840 15.126 -8.093 1.00 0.00 H ATOM 596 HA ARG A 37 8.756 17.624 -9.488 1.00 0.00 H ATOM 597 1HB ARG A 37 10.792 15.378 -9.465 1.00 0.00 H ATOM 598 2HB ARG A 37 11.036 16.885 -10.335 1.00 0.00 H ATOM 599 1HG ARG A 37 10.902 18.143 -8.238 1.00 0.00 H ATOM 600 2HG ARG A 37 10.614 16.630 -7.346 1.00 0.00 H ATOM 601 1HD ARG A 37 12.777 15.792 -8.162 1.00 0.00 H ATOM 602 2HD ARG A 37 13.064 17.373 -8.924 1.00 0.00 H ATOM 603 HE ARG A 37 13.205 16.711 -6.092 1.00 0.00 H ATOM 604 1HH1 ARG A 37 12.926 19.265 -8.489 1.00 0.00 H ATOM 605 2HH1 ARG A 37 13.541 20.506 -7.420 1.00 0.00 H ATOM 606 1HH2 ARG A 37 14.001 18.332 -4.715 1.00 0.00 H ATOM 607 2HH2 ARG A 37 14.149 19.979 -5.284 1.00 0.00 H ATOM 608 N ILE A 38 8.499 14.896 -11.316 1.00 0.00 N ATOM 609 CA ILE A 38 8.083 14.397 -12.621 1.00 0.00 C ATOM 610 C ILE A 38 6.695 14.905 -12.989 1.00 0.00 C ATOM 611 O ILE A 38 6.484 15.427 -14.084 1.00 0.00 O ATOM 612 CB ILE A 38 8.092 12.858 -12.650 1.00 0.00 C ATOM 613 CG1 ILE A 38 9.527 12.331 -12.566 1.00 0.00 C ATOM 614 CG2 ILE A 38 7.407 12.346 -13.908 1.00 0.00 C ATOM 615 CD1 ILE A 38 9.617 10.849 -12.282 1.00 0.00 C ATOM 616 H ILE A 38 8.685 14.236 -10.574 1.00 0.00 H ATOM 617 HA ILE A 38 8.794 14.752 -13.369 1.00 0.00 H ATOM 618 HB ILE A 38 7.564 12.475 -11.778 1.00 0.00 H ATOM 619 1HG1 ILE A 38 10.044 12.531 -13.504 1.00 0.00 H ATOM 620 2HG1 ILE A 38 10.064 12.861 -11.778 1.00 0.00 H ATOM 621 1HG2 ILE A 38 7.422 11.256 -13.912 1.00 0.00 H ATOM 622 2HG2 ILE A 38 6.375 12.694 -13.927 1.00 0.00 H ATOM 623 3HG2 ILE A 38 7.932 12.720 -14.787 1.00 0.00 H ATOM 624 1HD1 ILE A 38 10.664 10.550 -12.236 1.00 0.00 H ATOM 625 2HD1 ILE A 38 9.135 10.631 -11.328 1.00 0.00 H ATOM 626 3HD1 ILE A 38 9.117 10.295 -13.076 1.00 0.00 H ATOM 627 N VAL A 39 5.751 14.749 -12.067 1.00 0.00 N ATOM 628 CA VAL A 39 4.378 15.183 -12.296 1.00 0.00 C ATOM 629 C VAL A 39 4.295 16.697 -12.442 1.00 0.00 C ATOM 630 O VAL A 39 3.563 17.210 -13.289 1.00 0.00 O ATOM 631 CB VAL A 39 3.474 14.732 -11.133 1.00 0.00 C ATOM 632 CG1 VAL A 39 2.095 15.363 -11.256 1.00 0.00 C ATOM 633 CG2 VAL A 39 3.374 13.215 -11.113 1.00 0.00 C ATOM 634 H VAL A 39 5.990 14.319 -11.185 1.00 0.00 H ATOM 635 HA VAL A 39 4.018 14.723 -13.217 1.00 0.00 H ATOM 636 HB VAL A 39 3.904 15.081 -10.194 1.00 0.00 H ATOM 637 1HG1 VAL A 39 1.469 15.033 -10.425 1.00 0.00 H ATOM 638 2HG1 VAL A 39 2.187 16.448 -11.231 1.00 0.00 H ATOM 639 3HG1 VAL A 39 1.637 15.057 -12.197 1.00 0.00 H ATOM 640 1HG2 VAL A 39 2.734 12.903 -10.288 1.00 0.00 H ATOM 641 2HG2 VAL A 39 2.949 12.866 -12.054 1.00 0.00 H ATOM 642 3HG2 VAL A 39 4.368 12.786 -10.983 1.00 0.00 H ATOM 643 N LYS A 40 5.051 17.408 -11.612 1.00 0.00 N ATOM 644 CA LYS A 40 5.113 18.863 -11.690 1.00 0.00 C ATOM 645 C LYS A 40 5.505 19.324 -13.088 1.00 0.00 C ATOM 646 O LYS A 40 4.935 20.276 -13.621 1.00 0.00 O ATOM 647 CB LYS A 40 6.101 19.412 -10.659 1.00 0.00 C ATOM 648 CG LYS A 40 6.201 20.932 -10.631 1.00 0.00 C ATOM 649 CD LYS A 40 7.146 21.403 -9.536 1.00 0.00 C ATOM 650 CE LYS A 40 7.274 22.919 -9.529 1.00 0.00 C ATOM 651 NZ LYS A 40 8.193 23.395 -8.459 1.00 0.00 N ATOM 652 H LYS A 40 5.596 16.929 -10.910 1.00 0.00 H ATOM 653 HA LYS A 40 4.128 19.265 -11.452 1.00 0.00 H ATOM 654 1HB LYS A 40 5.810 19.078 -9.663 1.00 0.00 H ATOM 655 2HB LYS A 40 7.096 19.015 -10.860 1.00 0.00 H ATOM 656 1HG LYS A 40 6.567 21.290 -11.594 1.00 0.00 H ATOM 657 2HG LYS A 40 5.214 21.358 -10.456 1.00 0.00 H ATOM 658 1HD LYS A 40 6.771 21.074 -8.566 1.00 0.00 H ATOM 659 2HD LYS A 40 8.132 20.965 -9.692 1.00 0.00 H ATOM 660 1HE LYS A 40 7.653 23.256 -10.493 1.00 0.00 H ATOM 661 2HE LYS A 40 6.293 23.367 -9.373 1.00 0.00 H ATOM 662 1HZ LYS A 40 8.250 24.404 -8.488 1.00 0.00 H ATOM 663 2HZ LYS A 40 7.840 23.104 -7.558 1.00 0.00 H ATOM 664 3HZ LYS A 40 9.111 23.002 -8.604 1.00 0.00 H ATOM 665 N LYS A 41 6.482 18.643 -13.678 1.00 0.00 N ATOM 666 CA LYS A 41 6.909 18.941 -15.040 1.00 0.00 C ATOM 667 C LYS A 41 5.807 18.626 -16.043 1.00 0.00 C ATOM 668 O LYS A 41 5.600 19.367 -17.004 1.00 0.00 O ATOM 669 CB LYS A 41 8.176 18.157 -15.387 1.00 0.00 C ATOM 670 CG LYS A 41 9.429 18.638 -14.668 1.00 0.00 C ATOM 671 CD LYS A 41 10.633 17.777 -15.021 1.00 0.00 C ATOM 672 CE LYS A 41 11.883 18.246 -14.291 1.00 0.00 C ATOM 673 NZ LYS A 41 13.063 17.395 -14.605 1.00 0.00 N ATOM 674 H LYS A 41 6.941 17.901 -13.169 1.00 0.00 H ATOM 675 HA LYS A 41 7.147 20.003 -15.103 1.00 0.00 H ATOM 676 1HB LYS A 41 8.032 17.105 -15.142 1.00 0.00 H ATOM 677 2HB LYS A 41 8.361 18.221 -16.460 1.00 0.00 H ATOM 678 1HG LYS A 41 9.637 19.671 -14.948 1.00 0.00 H ATOM 679 2HG LYS A 41 9.269 18.598 -13.591 1.00 0.00 H ATOM 680 1HD LYS A 41 10.432 16.740 -14.750 1.00 0.00 H ATOM 681 2HD LYS A 41 10.812 17.825 -16.095 1.00 0.00 H ATOM 682 1HE LYS A 41 12.106 19.274 -14.575 1.00 0.00 H ATOM 683 2HE LYS A 41 11.708 18.219 -13.216 1.00 0.00 H ATOM 684 1HZ LYS A 41 13.870 17.738 -14.103 1.00 0.00 H ATOM 685 2HZ LYS A 41 12.875 16.442 -14.329 1.00 0.00 H ATOM 686 3HZ LYS A 41 13.247 17.428 -15.598 1.00 0.00 H ATOM 687 N ARG A 42 5.102 17.524 -15.815 1.00 0.00 N ATOM 688 CA ARG A 42 4.002 17.124 -16.683 1.00 0.00 C ATOM 689 C ARG A 42 2.853 18.121 -16.611 1.00 0.00 C ATOM 690 O ARG A 42 2.246 18.458 -17.628 1.00 0.00 O ATOM 691 CB ARG A 42 3.494 15.741 -16.302 1.00 0.00 C ATOM 692 CG ARG A 42 4.438 14.597 -16.640 1.00 0.00 C ATOM 693 CD ARG A 42 3.891 13.287 -16.204 1.00 0.00 C ATOM 694 NE ARG A 42 2.660 12.954 -16.902 1.00 0.00 N ATOM 695 CZ ARG A 42 2.601 12.310 -18.084 1.00 0.00 C ATOM 696 NH1 ARG A 42 3.709 11.936 -18.686 1.00 0.00 N ATOM 697 NH2 ARG A 42 1.429 12.053 -18.639 1.00 0.00 N ATOM 698 H ARG A 42 5.335 16.947 -15.018 1.00 0.00 H ATOM 699 HA ARG A 42 4.368 17.085 -17.710 1.00 0.00 H ATOM 700 1HB ARG A 42 3.305 15.706 -15.230 1.00 0.00 H ATOM 701 2HB ARG A 42 2.548 15.548 -16.808 1.00 0.00 H ATOM 702 1HG ARG A 42 4.596 14.562 -17.718 1.00 0.00 H ATOM 703 2HG ARG A 42 5.394 14.754 -16.138 1.00 0.00 H ATOM 704 1HD ARG A 42 4.621 12.503 -16.407 1.00 0.00 H ATOM 705 2HD ARG A 42 3.680 13.318 -15.136 1.00 0.00 H ATOM 706 HE ARG A 42 1.787 13.225 -16.471 1.00 0.00 H ATOM 707 1HH1 ARG A 42 4.604 12.133 -18.262 1.00 0.00 H ATOM 708 2HH1 ARG A 42 3.664 11.453 -19.571 1.00 0.00 H ATOM 709 1HH2 ARG A 42 0.577 12.340 -18.176 1.00 0.00 H ATOM 710 2HH2 ARG A 42 1.385 11.570 -19.524 1.00 0.00 H ATOM 711 N LEU A 43 2.558 18.590 -15.403 1.00 0.00 N ATOM 712 CA LEU A 43 1.418 19.471 -15.181 1.00 0.00 C ATOM 713 C LEU A 43 1.699 20.876 -15.696 1.00 0.00 C ATOM 714 O LEU A 43 2.844 21.326 -15.707 1.00 0.00 O ATOM 715 OXT LEU A 43 0.798 21.559 -16.098 1.00 0.00 O ATOM 716 CB LEU A 43 1.075 19.526 -13.687 1.00 0.00 C ATOM 717 CG LEU A 43 -0.181 20.328 -13.322 1.00 0.00 C ATOM 718 CD1 LEU A 43 -1.410 19.639 -13.898 1.00 0.00 C ATOM 719 CD2 LEU A 43 -0.283 20.452 -11.809 1.00 0.00 C ATOM 720 H LEU A 43 3.139 18.329 -14.619 1.00 0.00 H ATOM 721 HA LEU A 43 0.561 19.071 -15.722 1.00 0.00 H ATOM 722 1HB LEU A 43 0.935 18.509 -13.324 1.00 0.00 H ATOM 723 2HB LEU A 43 1.916 19.967 -13.153 1.00 0.00 H ATOM 724 HG LEU A 43 -0.119 21.323 -13.764 1.00 0.00 H ATOM 725 1HD1 LEU A 43 -2.302 20.209 -13.639 1.00 0.00 H ATOM 726 2HD1 LEU A 43 -1.320 19.581 -14.983 1.00 0.00 H ATOM 727 3HD1 LEU A 43 -1.490 18.633 -13.486 1.00 0.00 H ATOM 728 1HD2 LEU A 43 -1.175 21.023 -11.550 1.00 0.00 H ATOM 729 2HD2 LEU A 43 -0.347 19.458 -11.366 1.00 0.00 H ATOM 730 3HD2 LEU A 43 0.600 20.964 -11.426 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE nods_bigger.blueprint.34_try3_pass_20150322204541_0001_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 rama omega fa_dun p_aa_pp ref total weights 0.8 0.44 0.75 0.004 0.7 1 1.17 1.17 1.17 1.1 1 0.2 0.5 0.56 0.32 1 NA pose -175.995 17.7231 100.423 0.36626 -26.4308 0.06397 -23.2881 -2.12246 -1.93401 -7.58485 0 -5.67141 2.73132 52.1028 -6.10147 -14.0883 -89.806 ARG:NtermProteinFull_1 -3.40105 0.30247 3.04014 0.01076 -1.29811 0 0 0 -0.08182 -0.11514 0 0 0.03694 1.55083 0 -0.14916 -0.10414 LYS_2 -2.20626 0.34345 1.21647 0.00566 0.04952 0 0 0 0 0 0 0.01313 0.045 0.77652 -0.05296 -0.28737 -0.09684 TRP_3 -5.19909 0.48784 2.0758 0.03026 0.13888 0 0 0 0 0 0 -0.19946 0.11279 1.33732 0.04447 0.92933 -0.24186 GLU_4 -5.92846 0.81511 4.12647 0.00469 -1.50199 0 0 0 -0.08182 -0.11514 0 -0.16888 0.10427 2.21938 -0.11109 -1.55374 -2.1912 GLU_5 -4.0564 0.36686 2.84879 0.00686 -0.95714 0 0 0 0 -0.13234 0 -0.18062 0.02836 2.23838 -0.09444 -1.55374 -1.48543 ILE_6 -5.52729 0.47903 2.17228 0.02082 -0.29959 0 0 0 0 0 0 0.01009 0.0247 0.0782 -0.05066 0.8318 -2.2606 ALA_7 -4.11189 0.32802 1.8932 0.00075 -0.35341 0 0 0 0 0 0 -0.18924 0.00748 0 -0.19737 0.59294 -2.02952 GLU_8 -4.38728 0.29645 3.2985 0.00546 -1.08906 0 0 0 0 -0.40023 0 -0.25498 0.08676 2.40893 -0.1516 -1.55374 -1.74079 ARG_9 -4.9567 0.45061 3.82981 0.00772 -1.88955 0 0 0 0 -0.57013 0 -0.21161 0.11101 1.41857 -0.08844 -0.14916 -2.04787 LEU_10 -6.37699 0.72627 1.84642 0.00637 -0.20494 0 0 0 0 0 0 -0.08801 0.0002 0.44897 -0.11453 0.60233 -3.15392 ARG_11 -5.60638 0.44412 3.93793 0.01614 -1.40729 0 0 0 0 -0.40023 0 -0.03923 0.14254 1.39662 -0.08538 -0.14916 -1.75032 GLU_12 -3.0093 0.16194 2.17442 0.00437 -0.12837 0 0 0 0 0 0 -0.13045 0.19883 2.21843 -0.13018 -1.55374 -0.19406 GLU_13 -3.72193 0.23315 2.63607 0.00683 -1.35134 0 0 0 0 -0.93969 0 -0.12466 0.36973 2.18963 -0.10395 -1.55374 -2.35991 PHE_14 -6.43154 0.71314 1.89989 0.02326 -0.12439 0 0 0 0 0 0 -0.116 0.00061 1.40391 -0.00296 0.43057 -2.20351 ASN_15 -1.7024 0.36267 1.20156 0.00693 0.16711 0 0 0 0 0 0 -0.0343 0.17469 1.43275 -0.62741 -0.94198 0.03962 ILE_16 -4.56493 0.47989 1.57376 0.01618 -0.09328 0 0 0 0 0 0 0.06033 0.1015 0.08163 -0.02998 0.8318 -1.54309 ASN_17 -4.04932 0.97782 2.65007 0.00443 -0.79457 0.00025 0 0 -0.61409 0 0 -0.14971 0.01222 2.07869 0.12109 -0.94198 -0.70509 PRO_18 -2.94194 0.601 1.4356 0.0009 -0.11335 0.06372 0 0 0 0 0 0.05104 0.00361 0.11467 -0.44574 -0.21929 -1.44979 GLU_19 -3.74303 0.51837 2.94578 0.00568 -1.30193 0 0 0 -0.27779 -0.33781 0 -0.23578 0.11155 2.35119 -0.17214 -1.55374 -1.68966 GLU_20 -4.86085 0.32648 3.39888 0.00276 -1.23787 0 0 0 -0.33629 -0.46923 0 -0.24607 0.11489 2.77155 -0.13182 -1.55374 -2.22132 ALA_21 -4.37788 0.51749 1.76329 0.00072 -0.2385 0 0 0 0 0 0 -0.09133 0.03196 0 -0.13669 0.59294 -1.93799 ARG_22 -5.28725 0.46361 4.16293 0.0147 -2.0048 0 0 0 0 -0.65115 0 -0.10748 0.04721 1.47001 -0.10341 -0.14916 -2.14477 GLU_23 -4.58754 0.38121 3.61459 0.0085 -1.36533 0 0 0 0 -0.31147 0 -0.00908 0.03758 2.23155 -0.09581 -1.55374 -1.64955 ALA_24 -4.40414 0.41616 1.68363 0.00073 -0.27164 0 0 0 0 0 0 -0.14438 0.00762 0 -0.17395 0.59294 -2.29303 VAL_25 -4.99435 0.51197 1.91874 0.01632 -0.39971 0 0 0 0 0 0 -0.01263 0.00819 0.02171 -0.03849 0.74484 -2.22341 GLU_26 -3.58244 0.2791 2.63613 0.00451 -0.9293 0 0 0 0 -0.31334 0 -0.23187 0.01366 2.15613 -0.12399 -1.55374 -1.64514 LYS_27 -2.91647 0.18682 1.86348 0.00313 -0.80148 0 0 0 0 -0.31147 0 -0.25921 0.14782 0.87727 -0.03614 -0.28737 -1.53362 ALA_28 -3.56503 0.3031 1.42246 0.00075 -0.07905 0 0 0 0 0 0 -0.22396 0.00734 0 -0.09931 0.59294 -1.64074 GLY_29 -1.37073 0.21537 0.85128 1e-05 -0.02405 0 0 0 0 0 0 -0.24939 0.02684 0 -0.79034 0.14053 -1.20048 GLY_30 -1.32711 0.09031 0.77192 0 -0.04647 0 0 0 0 0 0 -0.4076 0.00232 0 -0.80207 0.14053 -1.57817 ASN_31 -3.81886 0.3808 2.43561 0.01553 -0.35103 0 0 0 -0.2711 0 0 -0.10905 0.15306 1.45494 -0.28135 -0.94198 -1.33342 GLU_32 -3.95755 0.44597 2.57089 0.0068 -1.00061 0 0 0 0 -0.43779 0 -0.07351 0.01754 2.10354 -0.11031 -1.55374 -1.98879 GLU_33 -3.63387 0.318 2.61778 0.00785 -0.96263 0 0 0 0 -0.33538 0 -0.07274 0.03372 2.25868 -0.10251 -1.55374 -1.42484 GLU_34 -4.53365 0.38349 2.49294 0.00963 -0.55176 0 0 0 -0.2711 0 0 -0.23549 0.02535 2.53259 -0.12098 -1.55374 -1.82272 ALA_35 -4.93539 0.43461 1.98207 0.00074 -0.31607 0 0 0 0 0 0 -0.19075 0.04312 0 -0.19154 0.59294 -2.58027 ARG_36 -5.45459 0.5152 3.34951 0.01547 -1.58322 0 0 0 0 -0.93969 0 -0.22755 0.10267 2.7506 -0.09798 -0.14916 -1.71875 ARG_37 -4.52763 0.32032 3.0426 0.00958 -1.02036 0 0 0 0 -0.33538 0 -0.20435 0.0293 1.61213 -0.08964 -0.14916 -1.31258 ILE_38 -5.10329 0.35652 2.05547 0.02018 -0.25566 0 0 0 0 0 0 0.02408 0.00099 0.08067 -0.12227 0.8318 -2.1115 VAL_39 -5.24344 0.98652 1.58065 0.01635 -0.30133 0 0 0 0 0 0 -0.05788 0.04485 0.03513 0.01102 0.74484 -2.18329 LYS_40 -3.25155 0.23917 1.72963 0.00533 0.06245 0 0 0 0 0 0 -0.13547 0.04371 0.8445 -0.04444 -0.28737 -0.79404 LYS_41 -2.48817 0.25759 1.52122 0.00309 0.05191 0 0 0 0 0 0 -0.2214 0.00818 0.77753 -0.03935 -0.28737 -0.41676 ARG_42 -3.45939 0.16692 2.72691 0.01128 -0.57959 0 0 0 0 -0.46923 0 -0.19593 0.11061 1.95442 -0.08683 -0.14916 0.03002 LEU:CtermProteinFull_43 -2.392 0.13818 1.42773 0.00822 0.32812 0 0 0 0 0 0 0 0 0.42519 0 0.60233 0.53776 #END_POSE_ENERGIES_TABLE nods_bigger.blueprint.34_try3_pass_20150322204541_0001_0001.pdb AlaCount 5 bb -0.049348 buried_minus_exposed 3694.24 buried_np 5217.12 buried_over_exposed 3.4258 cavity_volume 0 contact_all 262 contact_core_SASA 262 contact_core_SCN 262 degree 11 degree_core_SASA 11 degree_core_SCN 11 exposed_hydrophobics 1522.88 holes 1.6996 mismatch_probability 0.075101 one_core_each 1 pack 0.621409 percent_core_SASA 0.0930016 percent_core_SCN 0.162753 res_count_core_SASA 4 res_count_core_SCN 7 ss_sc 0.74598 two_core_each 0.666667 unsat_hbond 5
HHH_rd1_0196.pdb
ATOM 1 N ASN A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA ASN A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C ASN A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O ASN A 1 2.213 2.017 -1.057 1.00 0.00 O ATOM 5 CB ASN A 1 1.992 -0.780 -1.187 1.00 0.00 C ATOM 6 CG ASN A 1 3.485 -0.955 -1.140 1.00 0.00 C ATOM 7 OD1 ASN A 1 4.191 -0.190 -0.473 1.00 0.00 O ATOM 8 ND2 ASN A 1 3.979 -1.948 -1.835 1.00 0.00 N ATOM 9 1H ASN A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 10 2H ASN A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 11 3H ASN A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 12 HA ASN A 1 1.804 -0.488 0.911 1.00 0.00 H ATOM 13 1HB ASN A 1 1.523 -1.764 -1.217 1.00 0.00 H ATOM 14 2HB ASN A 1 1.728 -0.264 -2.110 1.00 0.00 H ATOM 15 1HD2 ASN A 1 4.965 -2.112 -1.840 1.00 0.00 H ATOM 16 2HD2 ASN A 1 3.370 -2.542 -2.360 1.00 0.00 H ATOM 17 N ASP A 2 2.248 1.957 1.192 1.00 0.00 N ATOM 18 CA ASP A 2 2.653 3.350 1.338 1.00 0.00 C ATOM 19 C ASP A 2 4.046 3.581 0.766 1.00 0.00 C ATOM 20 O ASP A 2 4.347 4.660 0.256 1.00 0.00 O ATOM 21 CB ASP A 2 2.624 3.766 2.810 1.00 0.00 C ATOM 22 CG ASP A 2 1.210 3.881 3.365 1.00 0.00 C ATOM 23 OD1 ASP A 2 0.287 3.899 2.586 1.00 0.00 O ATOM 24 OD2 ASP A 2 1.068 3.949 4.563 1.00 0.00 O ATOM 25 H ASP A 2 2.146 1.385 2.018 1.00 0.00 H ATOM 26 HA ASP A 2 1.944 3.975 0.794 1.00 0.00 H ATOM 27 1HB ASP A 2 3.174 3.036 3.406 1.00 0.00 H ATOM 28 2HB ASP A 2 3.124 4.728 2.927 1.00 0.00 H ATOM 29 N GLU A 3 4.893 2.561 0.856 1.00 0.00 N ATOM 30 CA GLU A 3 6.264 2.659 0.369 1.00 0.00 C ATOM 31 C GLU A 3 6.302 2.787 -1.149 1.00 0.00 C ATOM 32 O GLU A 3 7.152 3.486 -1.701 1.00 0.00 O ATOM 33 CB GLU A 3 7.075 1.438 0.808 1.00 0.00 C ATOM 34 CG GLU A 3 7.315 1.349 2.308 1.00 0.00 C ATOM 35 CD GLU A 3 8.078 2.526 2.849 1.00 0.00 C ATOM 36 OE1 GLU A 3 9.089 2.866 2.283 1.00 0.00 O ATOM 37 OE2 GLU A 3 7.649 3.087 3.830 1.00 0.00 O ATOM 38 H GLU A 3 4.580 1.696 1.271 1.00 0.00 H ATOM 39 HA GLU A 3 6.724 3.546 0.806 1.00 0.00 H ATOM 40 1HB GLU A 3 6.560 0.529 0.497 1.00 0.00 H ATOM 41 2HB GLU A 3 8.046 1.449 0.313 1.00 0.00 H ATOM 42 1HG GLU A 3 6.354 1.289 2.817 1.00 0.00 H ATOM 43 2HG GLU A 3 7.867 0.435 2.523 1.00 0.00 H ATOM 44 N ALA A 4 5.376 2.109 -1.818 1.00 0.00 N ATOM 45 CA ALA A 4 5.208 2.258 -3.258 1.00 0.00 C ATOM 46 C ALA A 4 4.762 3.670 -3.618 1.00 0.00 C ATOM 47 O ALA A 4 5.214 4.240 -4.611 1.00 0.00 O ATOM 48 CB ALA A 4 4.209 1.238 -3.784 1.00 0.00 C ATOM 49 H ALA A 4 4.773 1.474 -1.316 1.00 0.00 H ATOM 50 HA ALA A 4 6.167 2.061 -3.741 1.00 0.00 H ATOM 51 1HB ALA A 4 4.095 1.362 -4.861 1.00 0.00 H ATOM 52 2HB ALA A 4 4.571 0.232 -3.571 1.00 0.00 H ATOM 53 3HB ALA A 4 3.247 1.388 -3.298 1.00 0.00 H ATOM 54 N LYS A 5 3.873 4.229 -2.804 1.00 0.00 N ATOM 55 CA LYS A 5 3.418 5.601 -2.993 1.00 0.00 C ATOM 56 C LYS A 5 4.564 6.590 -2.822 1.00 0.00 C ATOM 57 O LYS A 5 4.639 7.596 -3.527 1.00 0.00 O ATOM 58 CB LYS A 5 2.288 5.930 -2.016 1.00 0.00 C ATOM 59 CG LYS A 5 0.953 5.283 -2.357 1.00 0.00 C ATOM 60 CD LYS A 5 -0.124 5.678 -1.358 1.00 0.00 C ATOM 61 CE LYS A 5 -1.497 5.199 -1.805 1.00 0.00 C ATOM 62 NZ LYS A 5 -2.559 5.560 -0.827 1.00 0.00 N ATOM 63 H LYS A 5 3.503 3.690 -2.035 1.00 0.00 H ATOM 64 HA LYS A 5 3.021 5.698 -4.005 1.00 0.00 H ATOM 65 1HB LYS A 5 2.570 5.609 -1.013 1.00 0.00 H ATOM 66 2HB LYS A 5 2.138 7.010 -1.984 1.00 0.00 H ATOM 67 1HG LYS A 5 0.642 5.593 -3.356 1.00 0.00 H ATOM 68 2HG LYS A 5 1.062 4.199 -2.351 1.00 0.00 H ATOM 69 1HD LYS A 5 0.105 5.242 -0.385 1.00 0.00 H ATOM 70 2HD LYS A 5 -0.144 6.763 -1.255 1.00 0.00 H ATOM 71 1HE LYS A 5 -1.742 5.644 -2.769 1.00 0.00 H ATOM 72 2HE LYS A 5 -1.484 4.116 -1.924 1.00 0.00 H ATOM 73 1HZ LYS A 5 -3.452 5.226 -1.159 1.00 0.00 H ATOM 74 2HZ LYS A 5 -2.352 5.136 0.067 1.00 0.00 H ATOM 75 3HZ LYS A 5 -2.594 6.564 -0.722 1.00 0.00 H ATOM 76 N LYS A 6 5.455 6.298 -1.880 1.00 0.00 N ATOM 77 CA LYS A 6 6.650 7.108 -1.679 1.00 0.00 C ATOM 78 C LYS A 6 7.529 7.111 -2.923 1.00 0.00 C ATOM 79 O LYS A 6 8.010 8.160 -3.352 1.00 0.00 O ATOM 80 CB LYS A 6 7.445 6.600 -0.475 1.00 0.00 C ATOM 81 CG LYS A 6 6.781 6.858 0.871 1.00 0.00 C ATOM 82 CD LYS A 6 7.597 6.268 2.012 1.00 0.00 C ATOM 83 CE LYS A 6 6.897 6.456 3.349 1.00 0.00 C ATOM 84 NZ LYS A 6 7.650 5.824 4.466 1.00 0.00 N ATOM 85 H LYS A 6 5.300 5.494 -1.289 1.00 0.00 H ATOM 86 HA LYS A 6 6.342 8.132 -1.465 1.00 0.00 H ATOM 87 1HB LYS A 6 7.603 5.525 -0.570 1.00 0.00 H ATOM 88 2HB LYS A 6 8.427 7.074 -0.460 1.00 0.00 H ATOM 89 1HG LYS A 6 6.679 7.933 1.027 1.00 0.00 H ATOM 90 2HG LYS A 6 5.787 6.412 0.878 1.00 0.00 H ATOM 91 1HD LYS A 6 7.749 5.202 1.837 1.00 0.00 H ATOM 92 2HD LYS A 6 8.572 6.754 2.051 1.00 0.00 H ATOM 93 1HE LYS A 6 6.789 7.520 3.557 1.00 0.00 H ATOM 94 2HE LYS A 6 5.901 6.015 3.304 1.00 0.00 H ATOM 95 1HZ LYS A 6 7.154 5.970 5.334 1.00 0.00 H ATOM 96 2HZ LYS A 6 7.740 4.832 4.293 1.00 0.00 H ATOM 97 3HZ LYS A 6 8.569 6.238 4.530 1.00 0.00 H ATOM 98 N GLU A 7 7.737 5.932 -3.498 1.00 0.00 N ATOM 99 CA GLU A 7 8.458 5.811 -4.760 1.00 0.00 C ATOM 100 C GLU A 7 7.755 6.578 -5.872 1.00 0.00 C ATOM 101 O GLU A 7 8.387 7.324 -6.620 1.00 0.00 O ATOM 102 CB GLU A 7 8.600 4.339 -5.153 1.00 0.00 C ATOM 103 CG GLU A 7 9.356 4.106 -6.454 1.00 0.00 C ATOM 104 CD GLU A 7 9.483 2.650 -6.805 1.00 0.00 C ATOM 105 OE1 GLU A 7 9.038 1.832 -6.035 1.00 0.00 O ATOM 106 OE2 GLU A 7 10.024 2.354 -7.844 1.00 0.00 O ATOM 107 H GLU A 7 7.385 5.098 -3.050 1.00 0.00 H ATOM 108 HA GLU A 7 9.458 6.225 -4.627 1.00 0.00 H ATOM 109 1HB GLU A 7 9.122 3.799 -4.362 1.00 0.00 H ATOM 110 2HB GLU A 7 7.611 3.892 -5.257 1.00 0.00 H ATOM 111 1HG GLU A 7 8.835 4.619 -7.262 1.00 0.00 H ATOM 112 2HG GLU A 7 10.351 4.542 -6.366 1.00 0.00 H ATOM 113 N ALA A 8 6.444 6.390 -5.976 1.00 0.00 N ATOM 114 CA ALA A 8 5.654 7.055 -7.006 1.00 0.00 C ATOM 115 C ALA A 8 5.773 8.570 -6.899 1.00 0.00 C ATOM 116 O ALA A 8 5.882 9.266 -7.908 1.00 0.00 O ATOM 117 CB ALA A 8 4.196 6.631 -6.912 1.00 0.00 C ATOM 118 H ALA A 8 5.982 5.771 -5.326 1.00 0.00 H ATOM 119 HA ALA A 8 6.026 6.743 -7.983 1.00 0.00 H ATOM 120 1HB ALA A 8 3.619 7.135 -7.687 1.00 0.00 H ATOM 121 2HB ALA A 8 4.121 5.552 -7.049 1.00 0.00 H ATOM 122 3HB ALA A 8 3.801 6.900 -5.934 1.00 0.00 H ATOM 123 N GLU A 9 5.751 9.075 -5.670 1.00 0.00 N ATOM 124 CA GLU A 9 5.941 10.499 -5.424 1.00 0.00 C ATOM 125 C GLU A 9 7.265 10.986 -5.998 1.00 0.00 C ATOM 126 O GLU A 9 7.313 11.987 -6.713 1.00 0.00 O ATOM 127 CB GLU A 9 5.886 10.792 -3.923 1.00 0.00 C ATOM 128 CG GLU A 9 6.099 12.255 -3.560 1.00 0.00 C ATOM 129 CD GLU A 9 6.050 12.504 -2.078 1.00 0.00 C ATOM 130 OE1 GLU A 9 5.735 11.591 -1.352 1.00 0.00 O ATOM 131 OE2 GLU A 9 6.326 13.608 -1.672 1.00 0.00 O ATOM 132 H GLU A 9 5.599 8.456 -4.887 1.00 0.00 H ATOM 133 HA GLU A 9 5.129 11.045 -5.906 1.00 0.00 H ATOM 134 1HB GLU A 9 4.917 10.488 -3.528 1.00 0.00 H ATOM 135 2HB GLU A 9 6.648 10.206 -3.409 1.00 0.00 H ATOM 136 1HG GLU A 9 7.071 12.574 -3.938 1.00 0.00 H ATOM 137 2HG GLU A 9 5.334 12.856 -4.051 1.00 0.00 H ATOM 138 N LYS A 10 8.340 10.271 -5.681 1.00 0.00 N ATOM 139 CA LYS A 10 9.666 10.623 -6.173 1.00 0.00 C ATOM 140 C LYS A 10 9.721 10.573 -7.694 1.00 0.00 C ATOM 141 O LYS A 10 10.277 11.465 -8.335 1.00 0.00 O ATOM 142 CB LYS A 10 10.723 9.691 -5.578 1.00 0.00 C ATOM 143 CG LYS A 10 10.970 9.890 -4.088 1.00 0.00 C ATOM 144 CD LYS A 10 11.999 8.901 -3.562 1.00 0.00 C ATOM 145 CE LYS A 10 12.225 9.078 -2.068 1.00 0.00 C ATOM 146 NZ LYS A 10 13.205 8.095 -1.532 1.00 0.00 N ATOM 147 H LYS A 10 8.235 9.464 -5.083 1.00 0.00 H ATOM 148 HA LYS A 10 9.898 11.638 -5.848 1.00 0.00 H ATOM 149 1HB LYS A 10 10.423 8.655 -5.732 1.00 0.00 H ATOM 150 2HB LYS A 10 11.671 9.838 -6.096 1.00 0.00 H ATOM 151 1HG LYS A 10 11.329 10.904 -3.910 1.00 0.00 H ATOM 152 2HG LYS A 10 10.036 9.753 -3.544 1.00 0.00 H ATOM 153 1HD LYS A 10 11.655 7.883 -3.751 1.00 0.00 H ATOM 154 2HD LYS A 10 12.945 9.048 -4.082 1.00 0.00 H ATOM 155 1HE LYS A 10 12.594 10.084 -1.873 1.00 0.00 H ATOM 156 2HE LYS A 10 11.280 8.953 -1.539 1.00 0.00 H ATOM 157 1HZ LYS A 10 13.327 8.246 -0.541 1.00 0.00 H ATOM 158 2HZ LYS A 10 12.864 7.157 -1.691 1.00 0.00 H ATOM 159 3HZ LYS A 10 14.092 8.214 -2.001 1.00 0.00 H ATOM 160 N LEU A 11 9.140 9.524 -8.268 1.00 0.00 N ATOM 161 CA LEU A 11 9.125 9.354 -9.716 1.00 0.00 C ATOM 162 C LEU A 11 8.376 10.492 -10.396 1.00 0.00 C ATOM 163 O LEU A 11 8.814 11.010 -11.423 1.00 0.00 O ATOM 164 CB LEU A 11 8.475 8.014 -10.085 1.00 0.00 C ATOM 165 CG LEU A 11 9.275 6.761 -9.705 1.00 0.00 C ATOM 166 CD1 LEU A 11 8.418 5.523 -9.936 1.00 0.00 C ATOM 167 CD2 LEU A 11 10.552 6.704 -10.530 1.00 0.00 C ATOM 168 H LEU A 11 8.698 8.827 -7.686 1.00 0.00 H ATOM 169 HA LEU A 11 10.154 9.349 -10.075 1.00 0.00 H ATOM 170 1HB LEU A 11 7.506 7.950 -9.593 1.00 0.00 H ATOM 171 2HB LEU A 11 8.315 7.991 -11.163 1.00 0.00 H ATOM 172 HG LEU A 11 9.528 6.798 -8.646 1.00 0.00 H ATOM 173 1HD1 LEU A 11 8.986 4.632 -9.666 1.00 0.00 H ATOM 174 2HD1 LEU A 11 7.521 5.581 -9.319 1.00 0.00 H ATOM 175 3HD1 LEU A 11 8.135 5.467 -10.986 1.00 0.00 H ATOM 176 1HD2 LEU A 11 11.120 5.813 -10.260 1.00 0.00 H ATOM 177 2HD2 LEU A 11 10.299 6.665 -11.590 1.00 0.00 H ATOM 178 3HD2 LEU A 11 11.152 7.592 -10.333 1.00 0.00 H ATOM 179 N TRP A 12 7.243 10.878 -9.818 1.00 0.00 N ATOM 180 CA TRP A 12 6.449 11.980 -10.349 1.00 0.00 C ATOM 181 C TRP A 12 7.217 13.294 -10.285 1.00 0.00 C ATOM 182 O TRP A 12 7.194 14.083 -11.230 1.00 0.00 O ATOM 183 CB TRP A 12 5.137 12.113 -9.572 1.00 0.00 C ATOM 184 CG TRP A 12 4.167 13.069 -10.197 1.00 0.00 C ATOM 185 CD1 TRP A 12 3.297 12.802 -11.211 1.00 0.00 C ATOM 186 CD2 TRP A 12 3.961 14.460 -9.848 1.00 0.00 C ATOM 187 NE1 TRP A 12 2.568 13.924 -11.518 1.00 0.00 N ATOM 188 CE2 TRP A 12 2.960 14.948 -10.693 1.00 0.00 C ATOM 189 CE3 TRP A 12 4.536 15.316 -8.901 1.00 0.00 C ATOM 190 CZ2 TRP A 12 2.518 16.259 -10.625 1.00 0.00 C ATOM 191 CZ3 TRP A 12 4.092 16.631 -8.832 1.00 0.00 C ATOM 192 CH2 TRP A 12 3.108 17.090 -9.671 1.00 0.00 C ATOM 193 H TRP A 12 6.925 10.396 -8.990 1.00 0.00 H ATOM 194 HA TRP A 12 6.210 11.764 -11.391 1.00 0.00 H ATOM 195 1HB TRP A 12 4.657 11.137 -9.498 1.00 0.00 H ATOM 196 2HB TRP A 12 5.348 12.452 -8.558 1.00 0.00 H ATOM 197 HD1 TRP A 12 3.195 11.837 -11.706 1.00 0.00 H ATOM 198 HE1 TRP A 12 1.859 13.987 -12.234 1.00 0.00 H ATOM 199 HE3 TRP A 12 5.316 14.956 -8.231 1.00 0.00 H ATOM 200 HZ2 TRP A 12 1.738 16.643 -11.283 1.00 0.00 H ATOM 201 HZ3 TRP A 12 4.546 17.291 -8.093 1.00 0.00 H ATOM 202 HH2 TRP A 12 2.783 18.127 -9.590 1.00 0.00 H ATOM 203 N LYS A 13 7.896 13.523 -9.166 1.00 0.00 N ATOM 204 CA LYS A 13 8.701 14.726 -8.992 1.00 0.00 C ATOM 205 C LYS A 13 9.934 14.698 -9.885 1.00 0.00 C ATOM 206 O LYS A 13 10.543 15.734 -10.152 1.00 0.00 O ATOM 207 CB LYS A 13 9.115 14.885 -7.528 1.00 0.00 C ATOM 208 CG LYS A 13 7.972 15.236 -6.585 1.00 0.00 C ATOM 209 CD LYS A 13 8.450 15.322 -5.144 1.00 0.00 C ATOM 210 CE LYS A 13 7.322 15.731 -4.208 1.00 0.00 C ATOM 211 NZ LYS A 13 7.756 15.741 -2.785 1.00 0.00 N ATOM 212 H LYS A 13 7.853 12.846 -8.418 1.00 0.00 H ATOM 213 HA LYS A 13 8.093 15.591 -9.261 1.00 0.00 H ATOM 214 1HB LYS A 13 9.567 13.958 -7.175 1.00 0.00 H ATOM 215 2HB LYS A 13 9.868 15.669 -7.446 1.00 0.00 H ATOM 216 1HG LYS A 13 7.543 16.196 -6.874 1.00 0.00 H ATOM 217 2HG LYS A 13 7.195 14.475 -6.657 1.00 0.00 H ATOM 218 1HD LYS A 13 8.837 14.351 -4.830 1.00 0.00 H ATOM 219 2HD LYS A 13 9.254 16.054 -5.070 1.00 0.00 H ATOM 220 1HE LYS A 13 6.971 16.726 -4.476 1.00 0.00 H ATOM 221 2HE LYS A 13 6.490 15.035 -4.316 1.00 0.00 H ATOM 222 1HZ LYS A 13 6.981 16.017 -2.198 1.00 0.00 H ATOM 223 2HZ LYS A 13 8.066 14.817 -2.520 1.00 0.00 H ATOM 224 3HZ LYS A 13 8.515 16.397 -2.668 1.00 0.00 H ATOM 225 N ASN A 14 10.299 13.506 -10.345 1.00 0.00 N ATOM 226 CA ASN A 14 11.393 13.353 -11.297 1.00 0.00 C ATOM 227 C ASN A 14 10.879 13.356 -12.731 1.00 0.00 C ATOM 228 O ASN A 14 11.601 12.993 -13.659 1.00 0.00 O ATOM 229 CB ASN A 14 12.175 12.085 -11.012 1.00 0.00 C ATOM 230 CG ASN A 14 12.988 12.178 -9.751 1.00 0.00 C ATOM 231 OD1 ASN A 14 13.494 13.251 -9.401 1.00 0.00 O ATOM 232 ND2 ASN A 14 13.124 11.074 -9.060 1.00 0.00 N ATOM 233 H ASN A 14 9.805 12.684 -10.027 1.00 0.00 H ATOM 234 HA ASN A 14 12.074 14.196 -11.178 1.00 0.00 H ATOM 235 1HB ASN A 14 11.486 11.244 -10.925 1.00 0.00 H ATOM 236 2HB ASN A 14 12.844 11.875 -11.847 1.00 0.00 H ATOM 237 1HD2 ASN A 14 13.654 11.077 -8.212 1.00 0.00 H ATOM 238 2HD2 ASN A 14 12.697 10.229 -9.381 1.00 0.00 H ATOM 239 N ASN A 15 9.628 13.769 -12.905 1.00 0.00 N ATOM 240 CA ASN A 15 9.061 13.952 -14.236 1.00 0.00 C ATOM 241 C ASN A 15 9.012 12.635 -15.000 1.00 0.00 C ATOM 242 O ASN A 15 9.291 12.590 -16.198 1.00 0.00 O ATOM 243 CB ASN A 15 9.846 14.991 -15.013 1.00 0.00 C ATOM 244 CG ASN A 15 9.797 16.351 -14.373 1.00 0.00 C ATOM 245 OD1 ASN A 15 8.737 16.802 -13.925 1.00 0.00 O ATOM 246 ND2 ASN A 15 10.924 17.013 -14.322 1.00 0.00 N ATOM 247 H ASN A 15 9.056 13.961 -12.095 1.00 0.00 H ATOM 248 HA ASN A 15 8.033 14.302 -14.128 1.00 0.00 H ATOM 249 1HB ASN A 15 10.888 14.677 -15.092 1.00 0.00 H ATOM 250 2HB ASN A 15 9.450 15.065 -16.026 1.00 0.00 H ATOM 251 1HD2 ASN A 15 10.951 17.923 -13.907 1.00 0.00 H ATOM 252 2HD2 ASN A 15 11.759 16.610 -14.697 1.00 0.00 H ATOM 253 N LYS A 16 8.655 11.563 -14.299 1.00 0.00 N ATOM 254 CA LYS A 16 8.482 10.259 -14.928 1.00 0.00 C ATOM 255 C LYS A 16 7.043 10.053 -15.383 1.00 0.00 C ATOM 256 O LYS A 16 6.125 10.703 -14.883 1.00 0.00 O ATOM 257 CB LYS A 16 8.896 9.143 -13.969 1.00 0.00 C ATOM 258 CG LYS A 16 10.333 9.238 -13.474 1.00 0.00 C ATOM 259 CD LYS A 16 11.322 9.104 -14.622 1.00 0.00 C ATOM 260 CE LYS A 16 12.758 9.099 -14.119 1.00 0.00 C ATOM 261 NZ LYS A 16 13.739 9.016 -15.235 1.00 0.00 N ATOM 262 H LYS A 16 8.499 11.655 -13.305 1.00 0.00 H ATOM 263 HA LYS A 16 9.118 10.215 -15.813 1.00 0.00 H ATOM 264 1HB LYS A 16 8.241 9.151 -13.097 1.00 0.00 H ATOM 265 2HB LYS A 16 8.774 8.177 -14.460 1.00 0.00 H ATOM 266 1HG LYS A 16 10.486 10.200 -12.984 1.00 0.00 H ATOM 267 2HG LYS A 16 10.521 8.447 -12.749 1.00 0.00 H ATOM 268 1HD LYS A 16 11.132 8.174 -15.161 1.00 0.00 H ATOM 269 2HD LYS A 16 11.192 9.936 -15.314 1.00 0.00 H ATOM 270 1HE LYS A 16 12.948 10.010 -13.553 1.00 0.00 H ATOM 271 2HE LYS A 16 12.909 8.247 -13.456 1.00 0.00 H ATOM 272 1HZ LYS A 16 14.677 9.015 -14.861 1.00 0.00 H ATOM 273 2HZ LYS A 16 13.584 8.165 -15.757 1.00 0.00 H ATOM 274 3HZ LYS A 16 13.622 9.811 -15.847 1.00 0.00 H ATOM 275 N SER A 17 6.853 9.146 -16.334 1.00 0.00 N ATOM 276 CA SER A 17 5.533 8.893 -16.899 1.00 0.00 C ATOM 277 C SER A 17 4.541 8.481 -15.819 1.00 0.00 C ATOM 278 O SER A 17 4.788 7.543 -15.061 1.00 0.00 O ATOM 279 CB SER A 17 5.617 7.813 -17.960 1.00 0.00 C ATOM 280 OG SER A 17 4.339 7.421 -18.380 1.00 0.00 O ATOM 281 H SER A 17 7.643 8.616 -16.675 1.00 0.00 H ATOM 282 HA SER A 17 5.172 9.813 -17.362 1.00 0.00 H ATOM 283 1HB SER A 17 6.184 8.185 -18.813 1.00 0.00 H ATOM 284 2HB SER A 17 6.152 6.953 -17.562 1.00 0.00 H ATOM 285 HG SER A 17 4.299 7.609 -19.320 1.00 0.00 H ATOM 286 N GLU A 18 3.417 9.187 -15.754 1.00 0.00 N ATOM 287 CA GLU A 18 2.369 8.872 -14.791 1.00 0.00 C ATOM 288 C GLU A 18 1.765 7.500 -15.063 1.00 0.00 C ATOM 289 O GLU A 18 1.393 6.780 -14.136 1.00 0.00 O ATOM 290 CB GLU A 18 1.273 9.939 -14.827 1.00 0.00 C ATOM 291 CG GLU A 18 1.688 11.287 -14.256 1.00 0.00 C ATOM 292 CD GLU A 18 0.636 12.346 -14.432 1.00 0.00 C ATOM 293 OE1 GLU A 18 -0.286 12.122 -15.179 1.00 0.00 O ATOM 294 OE2 GLU A 18 0.755 13.381 -13.820 1.00 0.00 O ATOM 295 H GLU A 18 3.285 9.961 -16.389 1.00 0.00 H ATOM 296 HA GLU A 18 2.807 8.869 -13.792 1.00 0.00 H ATOM 297 1HB GLU A 18 0.953 10.096 -15.857 1.00 0.00 H ATOM 298 2HB GLU A 18 0.406 9.590 -14.265 1.00 0.00 H ATOM 299 1HG GLU A 18 1.895 11.171 -13.192 1.00 0.00 H ATOM 300 2HG GLU A 18 2.607 11.609 -14.744 1.00 0.00 H ATOM 301 N ASP A 19 1.670 7.143 -16.339 1.00 0.00 N ATOM 302 CA ASP A 19 1.163 5.834 -16.733 1.00 0.00 C ATOM 303 C ASP A 19 2.082 4.719 -16.250 1.00 0.00 C ATOM 304 O ASP A 19 1.621 3.703 -15.730 1.00 0.00 O ATOM 305 CB ASP A 19 1.009 5.754 -18.254 1.00 0.00 C ATOM 306 CG ASP A 19 -0.149 6.594 -18.777 1.00 0.00 C ATOM 307 OD1 ASP A 19 -0.977 6.985 -17.989 1.00 0.00 O ATOM 308 OD2 ASP A 19 -0.193 6.835 -19.960 1.00 0.00 O ATOM 309 H ASP A 19 1.956 7.796 -17.055 1.00 0.00 H ATOM 310 HA ASP A 19 0.179 5.695 -16.284 1.00 0.00 H ATOM 311 1HB ASP A 19 1.929 6.092 -18.731 1.00 0.00 H ATOM 312 2HB ASP A 19 0.849 4.717 -18.549 1.00 0.00 H ATOM 313 N GLU A 20 3.384 4.915 -16.425 1.00 0.00 N ATOM 314 CA GLU A 20 4.376 3.985 -15.901 1.00 0.00 C ATOM 315 C GLU A 20 4.274 3.866 -14.386 1.00 0.00 C ATOM 316 O GLU A 20 4.275 2.763 -13.839 1.00 0.00 O ATOM 317 CB GLU A 20 5.787 4.432 -16.293 1.00 0.00 C ATOM 318 CG GLU A 20 6.899 3.538 -15.764 1.00 0.00 C ATOM 319 CD GLU A 20 8.271 4.038 -16.121 1.00 0.00 C ATOM 320 OE1 GLU A 20 8.395 4.724 -17.107 1.00 0.00 O ATOM 321 OE2 GLU A 20 9.197 3.735 -15.405 1.00 0.00 O ATOM 322 H GLU A 20 3.695 5.730 -16.935 1.00 0.00 H ATOM 323 HA GLU A 20 4.197 3.003 -16.342 1.00 0.00 H ATOM 324 1HB GLU A 20 5.870 4.463 -17.379 1.00 0.00 H ATOM 325 2HB GLU A 20 5.964 5.441 -15.922 1.00 0.00 H ATOM 326 1HG GLU A 20 6.818 3.477 -14.679 1.00 0.00 H ATOM 327 2HG GLU A 20 6.767 2.535 -16.167 1.00 0.00 H ATOM 328 N ILE A 21 4.184 5.008 -13.712 1.00 0.00 N ATOM 329 CA ILE A 21 4.057 5.033 -12.260 1.00 0.00 C ATOM 330 C ILE A 21 2.825 4.263 -11.802 1.00 0.00 C ATOM 331 O ILE A 21 2.887 3.484 -10.851 1.00 0.00 O ATOM 332 CB ILE A 21 3.982 6.480 -11.740 1.00 0.00 C ATOM 333 CG1 ILE A 21 5.326 7.188 -11.935 1.00 0.00 C ATOM 334 CG2 ILE A 21 3.575 6.498 -10.275 1.00 0.00 C ATOM 335 CD1 ILE A 21 5.261 8.685 -11.739 1.00 0.00 C ATOM 336 H ILE A 21 4.205 5.881 -14.220 1.00 0.00 H ATOM 337 HA ILE A 21 4.943 4.566 -11.827 1.00 0.00 H ATOM 338 HB ILE A 21 3.246 7.037 -12.320 1.00 0.00 H ATOM 339 1HG1 ILE A 21 6.055 6.783 -11.234 1.00 0.00 H ATOM 340 2HG1 ILE A 21 5.698 6.992 -12.941 1.00 0.00 H ATOM 341 1HG2 ILE A 21 3.527 7.529 -9.924 1.00 0.00 H ATOM 342 2HG2 ILE A 21 2.597 6.032 -10.164 1.00 0.00 H ATOM 343 3HG2 ILE A 21 4.308 5.948 -9.686 1.00 0.00 H ATOM 344 1HD1 ILE A 21 6.251 9.115 -11.894 1.00 0.00 H ATOM 345 2HD1 ILE A 21 4.562 9.116 -12.456 1.00 0.00 H ATOM 346 3HD1 ILE A 21 4.925 8.905 -10.727 1.00 0.00 H ATOM 347 N LYS A 22 1.707 4.487 -12.483 1.00 0.00 N ATOM 348 CA LYS A 22 0.464 3.794 -12.164 1.00 0.00 C ATOM 349 C LYS A 22 0.632 2.284 -12.275 1.00 0.00 C ATOM 350 O LYS A 22 0.183 1.534 -11.408 1.00 0.00 O ATOM 351 CB LYS A 22 -0.664 4.267 -13.082 1.00 0.00 C ATOM 352 CG LYS A 22 -2.034 3.695 -12.742 1.00 0.00 C ATOM 353 CD LYS A 22 -3.124 4.328 -13.594 1.00 0.00 C ATOM 354 CE LYS A 22 -4.498 3.785 -13.229 1.00 0.00 C ATOM 355 NZ LYS A 22 -5.583 4.461 -13.990 1.00 0.00 N ATOM 356 H LYS A 22 1.717 5.154 -13.241 1.00 0.00 H ATOM 357 HA LYS A 22 0.184 4.040 -11.139 1.00 0.00 H ATOM 358 1HB LYS A 22 -0.735 5.354 -13.041 1.00 0.00 H ATOM 359 2HB LYS A 22 -0.434 3.993 -14.112 1.00 0.00 H ATOM 360 1HG LYS A 22 -2.031 2.618 -12.911 1.00 0.00 H ATOM 361 2HG LYS A 22 -2.254 3.879 -11.691 1.00 0.00 H ATOM 362 1HD LYS A 22 -3.119 5.409 -13.449 1.00 0.00 H ATOM 363 2HD LYS A 22 -2.929 4.119 -14.646 1.00 0.00 H ATOM 364 1HE LYS A 22 -4.534 2.717 -13.440 1.00 0.00 H ATOM 365 2HE LYS A 22 -4.674 3.929 -12.164 1.00 0.00 H ATOM 366 1HZ LYS A 22 -6.476 4.074 -13.720 1.00 0.00 H ATOM 367 2HZ LYS A 22 -5.570 5.451 -13.788 1.00 0.00 H ATOM 368 3HZ LYS A 22 -5.441 4.318 -14.980 1.00 0.00 H ATOM 369 N GLU A 23 1.280 1.843 -13.348 1.00 0.00 N ATOM 370 CA GLU A 23 1.594 0.430 -13.527 1.00 0.00 C ATOM 371 C GLU A 23 2.421 -0.102 -12.363 1.00 0.00 C ATOM 372 O GLU A 23 2.129 -1.166 -11.816 1.00 0.00 O ATOM 373 CB GLU A 23 2.346 0.213 -14.841 1.00 0.00 C ATOM 374 CG GLU A 23 2.753 -1.231 -15.102 1.00 0.00 C ATOM 375 CD GLU A 23 3.512 -1.401 -16.388 1.00 0.00 C ATOM 376 OE1 GLU A 23 3.490 -0.501 -17.193 1.00 0.00 O ATOM 377 OE2 GLU A 23 4.114 -2.434 -16.567 1.00 0.00 O ATOM 378 H GLU A 23 1.563 2.503 -14.058 1.00 0.00 H ATOM 379 HA GLU A 23 0.658 -0.129 -13.575 1.00 0.00 H ATOM 380 1HB GLU A 23 1.724 0.541 -15.675 1.00 0.00 H ATOM 381 2HB GLU A 23 3.250 0.821 -14.848 1.00 0.00 H ATOM 382 1HG GLU A 23 3.375 -1.576 -14.277 1.00 0.00 H ATOM 383 2HG GLU A 23 1.857 -1.850 -15.129 1.00 0.00 H ATOM 384 N ARG A 24 3.455 0.644 -11.989 1.00 0.00 N ATOM 385 CA ARG A 24 4.317 0.257 -10.879 1.00 0.00 C ATOM 386 C ARG A 24 3.522 0.117 -9.587 1.00 0.00 C ATOM 387 O ARG A 24 3.740 -0.814 -8.811 1.00 0.00 O ATOM 388 CB ARG A 24 5.426 1.279 -10.680 1.00 0.00 C ATOM 389 CG ARG A 24 6.495 1.282 -11.761 1.00 0.00 C ATOM 390 CD ARG A 24 7.494 2.359 -11.544 1.00 0.00 C ATOM 391 NE ARG A 24 8.500 2.387 -12.593 1.00 0.00 N ATOM 392 CZ ARG A 24 9.631 1.655 -12.588 1.00 0.00 C ATOM 393 NH1 ARG A 24 9.886 0.846 -11.584 1.00 0.00 N ATOM 394 NH2 ARG A 24 10.485 1.752 -13.592 1.00 0.00 N ATOM 395 H ARG A 24 3.649 1.501 -12.487 1.00 0.00 H ATOM 396 HA ARG A 24 4.774 -0.705 -11.115 1.00 0.00 H ATOM 397 1HB ARG A 24 4.995 2.279 -10.640 1.00 0.00 H ATOM 398 2HB ARG A 24 5.922 1.098 -9.726 1.00 0.00 H ATOM 399 1HG ARG A 24 7.017 0.325 -11.759 1.00 0.00 H ATOM 400 2HG ARG A 24 6.028 1.438 -12.735 1.00 0.00 H ATOM 401 1HD ARG A 24 6.990 3.325 -11.529 1.00 0.00 H ATOM 402 2HD ARG A 24 7.999 2.200 -10.592 1.00 0.00 H ATOM 403 HE ARG A 24 8.338 2.998 -13.383 1.00 0.00 H ATOM 404 1HH1 ARG A 24 9.233 0.772 -10.816 1.00 0.00 H ATOM 405 2HH1 ARG A 24 10.734 0.298 -11.580 1.00 0.00 H ATOM 406 1HH2 ARG A 24 10.289 2.374 -14.365 1.00 0.00 H ATOM 407 2HH2 ARG A 24 11.332 1.204 -13.589 1.00 0.00 H ATOM 408 N LEU A 25 2.600 1.046 -9.362 1.00 0.00 N ATOM 409 CA LEU A 25 1.737 1.001 -8.188 1.00 0.00 C ATOM 410 C LEU A 25 0.849 -0.236 -8.204 1.00 0.00 C ATOM 411 O LEU A 25 0.637 -0.874 -7.172 1.00 0.00 O ATOM 412 CB LEU A 25 0.866 2.262 -8.121 1.00 0.00 C ATOM 413 CG LEU A 25 1.609 3.567 -7.806 1.00 0.00 C ATOM 414 CD1 LEU A 25 0.676 4.749 -8.030 1.00 0.00 C ATOM 415 CD2 LEU A 25 2.111 3.531 -6.370 1.00 0.00 C ATOM 416 H LEU A 25 2.493 1.803 -10.022 1.00 0.00 H ATOM 417 HA LEU A 25 2.366 0.968 -7.297 1.00 0.00 H ATOM 418 1HB LEU A 25 0.365 2.389 -9.079 1.00 0.00 H ATOM 419 2HB LEU A 25 0.106 2.119 -7.353 1.00 0.00 H ATOM 420 HG LEU A 25 2.456 3.677 -8.484 1.00 0.00 H ATOM 421 1HD1 LEU A 25 1.204 5.677 -7.806 1.00 0.00 H ATOM 422 2HD1 LEU A 25 0.348 4.762 -9.069 1.00 0.00 H ATOM 423 3HD1 LEU A 25 -0.190 4.658 -7.376 1.00 0.00 H ATOM 424 1HD2 LEU A 25 2.640 4.459 -6.146 1.00 0.00 H ATOM 425 2HD2 LEU A 25 1.265 3.423 -5.691 1.00 0.00 H ATOM 426 3HD2 LEU A 25 2.789 2.687 -6.242 1.00 0.00 H ATOM 427 N GLU A 26 0.331 -0.571 -9.381 1.00 0.00 N ATOM 428 CA GLU A 26 -0.472 -1.777 -9.549 1.00 0.00 C ATOM 429 C GLU A 26 0.349 -3.029 -9.268 1.00 0.00 C ATOM 430 O GLU A 26 -0.137 -3.975 -8.648 1.00 0.00 O ATOM 431 CB GLU A 26 -1.048 -1.840 -10.966 1.00 0.00 C ATOM 432 CG GLU A 26 -2.142 -0.819 -11.246 1.00 0.00 C ATOM 433 CD GLU A 26 -2.598 -0.829 -12.678 1.00 0.00 C ATOM 434 OE1 GLU A 26 -1.998 -1.517 -13.469 1.00 0.00 O ATOM 435 OE2 GLU A 26 -3.549 -0.148 -12.983 1.00 0.00 O ATOM 436 H GLU A 26 0.497 0.025 -10.179 1.00 0.00 H ATOM 437 HA GLU A 26 -1.305 -1.739 -8.846 1.00 0.00 H ATOM 438 1HB GLU A 26 -0.249 -1.683 -11.691 1.00 0.00 H ATOM 439 2HB GLU A 26 -1.463 -2.832 -11.146 1.00 0.00 H ATOM 440 1HG GLU A 26 -2.996 -1.031 -10.603 1.00 0.00 H ATOM 441 2HG GLU A 26 -1.770 0.173 -10.995 1.00 0.00 H ATOM 442 N ARG A 27 1.596 -3.028 -9.728 1.00 0.00 N ATOM 443 CA ARG A 27 2.509 -4.134 -9.465 1.00 0.00 C ATOM 444 C ARG A 27 2.890 -4.196 -7.992 1.00 0.00 C ATOM 445 O ARG A 27 3.299 -5.243 -7.490 1.00 0.00 O ATOM 446 CB ARG A 27 3.770 -3.998 -10.307 1.00 0.00 C ATOM 447 CG ARG A 27 3.569 -4.213 -11.799 1.00 0.00 C ATOM 448 CD ARG A 27 4.839 -4.055 -12.552 1.00 0.00 C ATOM 449 NE ARG A 27 4.635 -4.161 -13.988 1.00 0.00 N ATOM 450 CZ ARG A 27 4.583 -5.322 -14.669 1.00 0.00 C ATOM 451 NH1 ARG A 27 4.722 -6.465 -14.033 1.00 0.00 N ATOM 452 NH2 ARG A 27 4.393 -5.313 -15.977 1.00 0.00 N ATOM 453 H ARG A 27 1.919 -2.242 -10.273 1.00 0.00 H ATOM 454 HA ARG A 27 2.012 -5.066 -9.737 1.00 0.00 H ATOM 455 1HB ARG A 27 4.192 -3.003 -10.171 1.00 0.00 H ATOM 456 2HB ARG A 27 4.514 -4.718 -9.967 1.00 0.00 H ATOM 457 1HG ARG A 27 3.190 -5.220 -11.973 1.00 0.00 H ATOM 458 2HG ARG A 27 2.852 -3.484 -12.178 1.00 0.00 H ATOM 459 1HD ARG A 27 5.269 -3.076 -12.340 1.00 0.00 H ATOM 460 2HD ARG A 27 5.541 -4.831 -12.249 1.00 0.00 H ATOM 461 HE ARG A 27 4.525 -3.303 -14.512 1.00 0.00 H ATOM 462 1HH1 ARG A 27 4.867 -6.472 -13.033 1.00 0.00 H ATOM 463 2HH1 ARG A 27 4.683 -7.335 -14.544 1.00 0.00 H ATOM 464 1HH2 ARG A 27 4.287 -4.435 -16.466 1.00 0.00 H ATOM 465 2HH2 ARG A 27 4.354 -6.183 -16.487 1.00 0.00 H ATOM 466 N ALA A 28 2.754 -3.068 -7.303 1.00 0.00 N ATOM 467 CA ALA A 28 3.054 -3.000 -5.878 1.00 0.00 C ATOM 468 C ALA A 28 1.860 -3.444 -5.042 1.00 0.00 C ATOM 469 O ALA A 28 1.928 -3.475 -3.813 1.00 0.00 O ATOM 470 CB ALA A 28 3.474 -1.589 -5.491 1.00 0.00 C ATOM 471 H ALA A 28 2.434 -2.236 -7.779 1.00 0.00 H ATOM 472 HA ALA A 28 3.878 -3.683 -5.672 1.00 0.00 H ATOM 473 1HB ALA A 28 3.695 -1.555 -4.424 1.00 0.00 H ATOM 474 2HB ALA A 28 4.364 -1.308 -6.055 1.00 0.00 H ATOM 475 3HB ALA A 28 2.667 -0.894 -5.718 1.00 0.00 H ATOM 476 N GLY A 29 0.767 -3.786 -5.715 1.00 0.00 N ATOM 477 CA GLY A 29 -0.412 -4.320 -5.043 1.00 0.00 C ATOM 478 C GLY A 29 -1.410 -3.215 -4.722 1.00 0.00 C ATOM 479 O GLY A 29 -2.219 -3.345 -3.803 1.00 0.00 O ATOM 480 H GLY A 29 0.752 -3.673 -6.719 1.00 0.00 H ATOM 481 1HA GLY A 29 -0.884 -5.069 -5.678 1.00 0.00 H ATOM 482 2HA GLY A 29 -0.110 -4.821 -4.124 1.00 0.00 H ATOM 483 N ILE A 30 -1.348 -2.128 -5.484 1.00 0.00 N ATOM 484 CA ILE A 30 -2.281 -1.020 -5.315 1.00 0.00 C ATOM 485 C ILE A 30 -3.283 -0.964 -6.461 1.00 0.00 C ATOM 486 O ILE A 30 -2.902 -0.971 -7.632 1.00 0.00 O ATOM 487 CB ILE A 30 -1.529 0.320 -5.223 1.00 0.00 C ATOM 488 CG1 ILE A 30 -0.602 0.330 -4.004 1.00 0.00 C ATOM 489 CG2 ILE A 30 -2.513 1.478 -5.156 1.00 0.00 C ATOM 490 CD1 ILE A 30 0.359 1.497 -3.977 1.00 0.00 C ATOM 491 H ILE A 30 -0.637 -2.068 -6.198 1.00 0.00 H ATOM 492 HA ILE A 30 -2.830 -1.169 -4.386 1.00 0.00 H ATOM 493 HB ILE A 30 -0.896 0.444 -6.101 1.00 0.00 H ATOM 494 1HG1 ILE A 30 -1.199 0.358 -3.093 1.00 0.00 H ATOM 495 2HG1 ILE A 30 -0.019 -0.591 -3.983 1.00 0.00 H ATOM 496 1HG2 ILE A 30 -1.965 2.418 -5.090 1.00 0.00 H ATOM 497 2HG2 ILE A 30 -3.132 1.481 -6.052 1.00 0.00 H ATOM 498 3HG2 ILE A 30 -3.148 1.366 -4.277 1.00 0.00 H ATOM 499 1HD1 ILE A 30 0.982 1.434 -3.085 1.00 0.00 H ATOM 500 2HD1 ILE A 30 0.991 1.468 -4.865 1.00 0.00 H ATOM 501 3HD1 ILE A 30 -0.203 2.430 -3.962 1.00 0.00 H ATOM 502 N SER A 31 -4.565 -0.907 -6.117 1.00 0.00 N ATOM 503 CA SER A 31 -5.628 -0.964 -7.113 1.00 0.00 C ATOM 504 C SER A 31 -5.514 0.185 -8.106 1.00 0.00 C ATOM 505 O SER A 31 -5.010 1.258 -7.774 1.00 0.00 O ATOM 506 CB SER A 31 -6.983 -0.924 -6.432 1.00 0.00 C ATOM 507 OG SER A 31 -7.220 0.333 -5.860 1.00 0.00 O ATOM 508 H SER A 31 -4.809 -0.823 -5.140 1.00 0.00 H ATOM 509 HA SER A 31 -5.538 -1.902 -7.662 1.00 0.00 H ATOM 510 1HB SER A 31 -7.762 -1.148 -7.160 1.00 0.00 H ATOM 511 2HB SER A 31 -7.025 -1.691 -5.661 1.00 0.00 H ATOM 512 HG SER A 31 -7.662 0.164 -5.025 1.00 0.00 H ATOM 513 N PRO A 32 -5.986 -0.045 -9.326 1.00 0.00 N ATOM 514 CA PRO A 32 -5.942 0.972 -10.370 1.00 0.00 C ATOM 515 C PRO A 32 -6.589 2.269 -9.902 1.00 0.00 C ATOM 516 O PRO A 32 -6.119 3.360 -10.224 1.00 0.00 O ATOM 517 CB PRO A 32 -6.732 0.328 -11.513 1.00 0.00 C ATOM 518 CG PRO A 32 -6.518 -1.136 -11.326 1.00 0.00 C ATOM 519 CD PRO A 32 -6.540 -1.329 -9.833 1.00 0.00 C ATOM 520 HA PRO A 32 -4.898 1.171 -10.616 1.00 0.00 H ATOM 521 1HB PRO A 32 -7.792 0.616 -11.448 1.00 0.00 H ATOM 522 2HB PRO A 32 -6.359 0.693 -12.481 1.00 0.00 H ATOM 523 1HG PRO A 32 -7.309 -1.704 -11.838 1.00 0.00 H ATOM 524 2HG PRO A 32 -5.563 -1.441 -11.779 1.00 0.00 H ATOM 525 1HD PRO A 32 -7.576 -1.485 -9.498 1.00 0.00 H ATOM 526 2HD PRO A 32 -5.912 -2.192 -9.566 1.00 0.00 H ATOM 527 N ASP A 33 -7.670 2.144 -9.140 1.00 0.00 N ATOM 528 CA ASP A 33 -8.399 3.307 -8.647 1.00 0.00 C ATOM 529 C ASP A 33 -7.573 4.083 -7.629 1.00 0.00 C ATOM 530 O ASP A 33 -7.508 5.312 -7.676 1.00 0.00 O ATOM 531 CB ASP A 33 -9.727 2.880 -8.016 1.00 0.00 C ATOM 532 CG ASP A 33 -10.740 2.391 -9.042 1.00 0.00 C ATOM 533 OD1 ASP A 33 -10.545 2.643 -10.208 1.00 0.00 O ATOM 534 OD2 ASP A 33 -11.699 1.770 -8.651 1.00 0.00 O ATOM 535 H ASP A 33 -7.996 1.220 -8.896 1.00 0.00 H ATOM 536 HA ASP A 33 -8.619 3.961 -9.491 1.00 0.00 H ATOM 537 1HB ASP A 33 -9.548 2.082 -7.295 1.00 0.00 H ATOM 538 2HB ASP A 33 -10.159 3.721 -7.473 1.00 0.00 H ATOM 539 N GLU A 34 -6.944 3.360 -6.710 1.00 0.00 N ATOM 540 CA GLU A 34 -6.113 3.979 -5.684 1.00 0.00 C ATOM 541 C GLU A 34 -4.838 4.560 -6.284 1.00 0.00 C ATOM 542 O GLU A 34 -4.385 5.632 -5.884 1.00 0.00 O ATOM 543 CB GLU A 34 -5.759 2.961 -4.598 1.00 0.00 C ATOM 544 CG GLU A 34 -4.965 3.536 -3.433 1.00 0.00 C ATOM 545 CD GLU A 34 -5.741 4.551 -2.641 1.00 0.00 C ATOM 546 OE1 GLU A 34 -6.932 4.633 -2.820 1.00 0.00 O ATOM 547 OE2 GLU A 34 -5.141 5.247 -1.855 1.00 0.00 O ATOM 548 H GLU A 34 -7.043 2.355 -6.722 1.00 0.00 H ATOM 549 HA GLU A 34 -6.680 4.787 -5.220 1.00 0.00 H ATOM 550 1HB GLU A 34 -6.674 2.525 -4.196 1.00 0.00 H ATOM 551 2HB GLU A 34 -5.174 2.152 -5.034 1.00 0.00 H ATOM 552 1HG GLU A 34 -4.672 2.722 -2.770 1.00 0.00 H ATOM 553 2HG GLU A 34 -4.058 3.998 -3.818 1.00 0.00 H ATOM 554 N ALA A 35 -4.264 3.845 -7.246 1.00 0.00 N ATOM 555 CA ALA A 35 -3.066 4.310 -7.934 1.00 0.00 C ATOM 556 C ALA A 35 -3.334 5.602 -8.695 1.00 0.00 C ATOM 557 O ALA A 35 -2.526 6.530 -8.666 1.00 0.00 O ATOM 558 CB ALA A 35 -2.550 3.236 -8.881 1.00 0.00 C ATOM 559 H ALA A 35 -4.668 2.957 -7.506 1.00 0.00 H ATOM 560 HA ALA A 35 -2.290 4.496 -7.191 1.00 0.00 H ATOM 561 1HB ALA A 35 -1.655 3.598 -9.388 1.00 0.00 H ATOM 562 2HB ALA A 35 -2.307 2.337 -8.315 1.00 0.00 H ATOM 563 3HB ALA A 35 -3.315 3.004 -9.620 1.00 0.00 H ATOM 564 N GLU A 36 -4.475 5.657 -9.375 1.00 0.00 N ATOM 565 CA GLU A 36 -4.885 6.861 -10.087 1.00 0.00 C ATOM 566 C GLU A 36 -5.117 8.019 -9.125 1.00 0.00 C ATOM 567 O GLU A 36 -4.685 9.144 -9.376 1.00 0.00 O ATOM 568 CB GLU A 36 -6.156 6.595 -10.896 1.00 0.00 C ATOM 569 CG GLU A 36 -6.662 7.795 -11.685 1.00 0.00 C ATOM 570 CD GLU A 36 -5.754 8.172 -12.823 1.00 0.00 C ATOM 571 OE1 GLU A 36 -5.234 7.288 -13.461 1.00 0.00 O ATOM 572 OE2 GLU A 36 -5.580 9.345 -13.054 1.00 0.00 O ATOM 573 H GLU A 36 -5.073 4.843 -9.399 1.00 0.00 H ATOM 574 HA GLU A 36 -4.092 7.138 -10.783 1.00 0.00 H ATOM 575 1HB GLU A 36 -5.976 5.783 -11.601 1.00 0.00 H ATOM 576 2HB GLU A 36 -6.954 6.276 -10.226 1.00 0.00 H ATOM 577 1HG GLU A 36 -7.649 7.564 -12.085 1.00 0.00 H ATOM 578 2HG GLU A 36 -6.762 8.644 -11.010 1.00 0.00 H ATOM 579 N GLN A 37 -5.801 7.736 -8.021 1.00 0.00 N ATOM 580 CA GLN A 37 -6.089 8.753 -7.017 1.00 0.00 C ATOM 581 C GLN A 37 -4.807 9.371 -6.475 1.00 0.00 C ATOM 582 O GLN A 37 -4.713 10.588 -6.314 1.00 0.00 O ATOM 583 CB GLN A 37 -6.908 8.156 -5.869 1.00 0.00 C ATOM 584 CG GLN A 37 -7.341 9.167 -4.822 1.00 0.00 C ATOM 585 CD GLN A 37 -8.324 10.183 -5.371 1.00 0.00 C ATOM 586 OE1 GLN A 37 -9.274 9.831 -6.077 1.00 0.00 O ATOM 587 NE2 GLN A 37 -8.103 11.453 -5.049 1.00 0.00 N ATOM 588 H GLN A 37 -6.130 6.792 -7.875 1.00 0.00 H ATOM 589 HA GLN A 37 -6.687 9.538 -7.482 1.00 0.00 H ATOM 590 1HB GLN A 37 -7.804 7.681 -6.270 1.00 0.00 H ATOM 591 2HB GLN A 37 -6.324 7.383 -5.369 1.00 0.00 H ATOM 592 1HG GLN A 37 -7.820 8.638 -3.998 1.00 0.00 H ATOM 593 2HG GLN A 37 -6.462 9.701 -4.462 1.00 0.00 H ATOM 594 1HE2 GLN A 37 -8.718 12.169 -5.383 1.00 0.00 H ATOM 595 2HE2 GLN A 37 -7.321 11.695 -4.474 1.00 0.00 H ATOM 596 N TRP A 38 -3.821 8.526 -6.195 1.00 0.00 N ATOM 597 CA TRP A 38 -2.531 8.990 -5.698 1.00 0.00 C ATOM 598 C TRP A 38 -1.884 9.965 -6.673 1.00 0.00 C ATOM 599 O TRP A 38 -1.352 10.999 -6.271 1.00 0.00 O ATOM 600 CB TRP A 38 -1.594 7.805 -5.459 1.00 0.00 C ATOM 601 CG TRP A 38 -0.236 8.206 -4.968 1.00 0.00 C ATOM 602 CD1 TRP A 38 0.955 7.985 -5.593 1.00 0.00 C ATOM 603 CD2 TRP A 38 0.080 8.905 -3.739 1.00 0.00 C ATOM 604 NE1 TRP A 38 1.985 8.494 -4.842 1.00 0.00 N ATOM 605 CE2 TRP A 38 1.468 9.062 -3.704 1.00 0.00 C ATOM 606 CE3 TRP A 38 -0.693 9.402 -2.682 1.00 0.00 C ATOM 607 CZ2 TRP A 38 2.108 9.696 -2.652 1.00 0.00 C ATOM 608 CZ3 TRP A 38 -0.051 10.039 -1.627 1.00 0.00 C ATOM 609 CH2 TRP A 38 1.314 10.182 -1.613 1.00 0.00 C ATOM 610 H TRP A 38 -3.969 7.536 -6.329 1.00 0.00 H ATOM 611 HA TRP A 38 -2.690 9.500 -4.747 1.00 0.00 H ATOM 612 1HB TRP A 38 -2.039 7.132 -4.725 1.00 0.00 H ATOM 613 2HB TRP A 38 -1.472 7.245 -6.385 1.00 0.00 H ATOM 614 HD1 TRP A 38 1.071 7.479 -6.549 1.00 0.00 H ATOM 615 HE1 TRP A 38 2.964 8.457 -5.085 1.00 0.00 H ATOM 616 HE3 TRP A 38 -1.777 9.294 -2.690 1.00 0.00 H ATOM 617 HZ2 TRP A 38 3.191 9.819 -2.622 1.00 0.00 H ATOM 618 HZ3 TRP A 38 -0.660 10.423 -0.808 1.00 0.00 H ATOM 619 HH2 TRP A 38 1.785 10.688 -0.770 1.00 0.00 H ATOM 620 N LEU A 39 -1.933 9.629 -7.958 1.00 0.00 N ATOM 621 CA LEU A 39 -1.416 10.508 -9.000 1.00 0.00 C ATOM 622 C LEU A 39 -2.168 11.832 -9.028 1.00 0.00 C ATOM 623 O LEU A 39 -1.576 12.889 -9.247 1.00 0.00 O ATOM 624 CB LEU A 39 -1.520 9.824 -10.369 1.00 0.00 C ATOM 625 CG LEU A 39 -0.564 8.647 -10.600 1.00 0.00 C ATOM 626 CD1 LEU A 39 -0.928 7.944 -11.900 1.00 0.00 C ATOM 627 CD2 LEU A 39 0.869 9.156 -10.637 1.00 0.00 C ATOM 628 H LEU A 39 -2.339 8.742 -8.219 1.00 0.00 H ATOM 629 HA LEU A 39 -0.364 10.707 -8.793 1.00 0.00 H ATOM 630 1HB LEU A 39 -2.536 9.455 -10.497 1.00 0.00 H ATOM 631 2HB LEU A 39 -1.325 10.566 -11.144 1.00 0.00 H ATOM 632 HG LEU A 39 -0.672 7.926 -9.789 1.00 0.00 H ATOM 633 1HD1 LEU A 39 -0.249 7.107 -12.064 1.00 0.00 H ATOM 634 2HD1 LEU A 39 -1.951 7.573 -11.839 1.00 0.00 H ATOM 635 3HD1 LEU A 39 -0.845 8.646 -12.729 1.00 0.00 H ATOM 636 1HD2 LEU A 39 1.549 8.319 -10.800 1.00 0.00 H ATOM 637 2HD2 LEU A 39 0.979 9.876 -11.448 1.00 0.00 H ATOM 638 3HD2 LEU A 39 1.108 9.639 -9.689 1.00 0.00 H ATOM 639 N GLN A 40 -3.476 11.768 -8.804 1.00 0.00 N ATOM 640 CA GLN A 40 -4.302 12.968 -8.742 1.00 0.00 C ATOM 641 C GLN A 40 -3.955 13.813 -7.523 1.00 0.00 C ATOM 642 O GLN A 40 -4.048 15.040 -7.559 1.00 0.00 O ATOM 643 CB GLN A 40 -5.787 12.596 -8.714 1.00 0.00 C ATOM 644 CG GLN A 40 -6.290 11.947 -9.992 1.00 0.00 C ATOM 645 CD GLN A 40 -6.146 12.855 -11.198 1.00 0.00 C ATOM 646 OE1 GLN A 40 -6.297 14.076 -11.095 1.00 0.00 O ATOM 647 NE2 GLN A 40 -5.854 12.264 -12.351 1.00 0.00 N ATOM 648 H GLN A 40 -3.910 10.865 -8.674 1.00 0.00 H ATOM 649 HA GLN A 40 -4.122 13.559 -9.640 1.00 0.00 H ATOM 650 1HB GLN A 40 -5.974 11.907 -7.890 1.00 0.00 H ATOM 651 2HB GLN A 40 -6.383 13.490 -8.534 1.00 0.00 H ATOM 652 1HG GLN A 40 -5.716 11.039 -10.177 1.00 0.00 H ATOM 653 2HG GLN A 40 -7.346 11.702 -9.872 1.00 0.00 H ATOM 654 1HE2 GLN A 40 -5.747 12.813 -13.181 1.00 0.00 H ATOM 655 2HE2 GLN A 40 -5.741 11.272 -12.390 1.00 0.00 H ATOM 656 N GLU A 41 -3.554 13.149 -6.444 1.00 0.00 N ATOM 657 CA GLU A 41 -3.115 13.841 -5.238 1.00 0.00 C ATOM 658 C GLU A 41 -1.763 14.511 -5.449 1.00 0.00 C ATOM 659 O GLU A 41 -1.503 15.589 -4.914 1.00 0.00 O ATOM 660 CB GLU A 41 -3.033 12.865 -4.063 1.00 0.00 C ATOM 661 CG GLU A 41 -4.379 12.329 -3.595 1.00 0.00 C ATOM 662 CD GLU A 41 -5.301 13.411 -3.106 1.00 0.00 C ATOM 663 OE1 GLU A 41 -4.838 14.302 -2.436 1.00 0.00 O ATOM 664 OE2 GLU A 41 -6.470 13.347 -3.404 1.00 0.00 O ATOM 665 H GLU A 41 -3.554 12.139 -6.459 1.00 0.00 H ATOM 666 HA GLU A 41 -3.850 14.608 -4.991 1.00 0.00 H ATOM 667 1HB GLU A 41 -2.412 12.013 -4.340 1.00 0.00 H ATOM 668 2HB GLU A 41 -2.555 13.356 -3.215 1.00 0.00 H ATOM 669 1HG GLU A 41 -4.857 11.807 -4.423 1.00 0.00 H ATOM 670 2HG GLU A 41 -4.213 11.610 -2.794 1.00 0.00 H ATOM 671 N LEU A 42 -0.905 13.867 -6.233 1.00 0.00 N ATOM 672 CA LEU A 42 0.404 14.423 -6.556 1.00 0.00 C ATOM 673 C LEU A 42 0.276 15.647 -7.453 1.00 0.00 C ATOM 674 O LEU A 42 1.010 16.623 -7.295 1.00 0.00 O ATOM 675 CB LEU A 42 1.274 13.364 -7.246 1.00 0.00 C ATOM 676 CG LEU A 42 1.720 12.192 -6.363 1.00 0.00 C ATOM 677 CD1 LEU A 42 2.408 11.140 -7.223 1.00 0.00 C ATOM 678 CD2 LEU A 42 2.653 12.702 -5.274 1.00 0.00 C ATOM 679 H LEU A 42 -1.166 12.969 -6.614 1.00 0.00 H ATOM 680 HA LEU A 42 0.893 14.719 -5.627 1.00 0.00 H ATOM 681 1HB LEU A 42 0.718 12.952 -8.086 1.00 0.00 H ATOM 682 2HB LEU A 42 2.170 13.849 -7.632 1.00 0.00 H ATOM 683 HG LEU A 42 0.847 11.728 -5.904 1.00 0.00 H ATOM 684 1HD1 LEU A 42 2.725 10.307 -6.596 1.00 0.00 H ATOM 685 2HD1 LEU A 42 1.712 10.779 -7.981 1.00 0.00 H ATOM 686 3HD1 LEU A 42 3.278 11.580 -7.709 1.00 0.00 H ATOM 687 1HD2 LEU A 42 2.970 11.869 -4.646 1.00 0.00 H ATOM 688 2HD2 LEU A 42 3.527 13.165 -5.732 1.00 0.00 H ATOM 689 3HD2 LEU A 42 2.130 13.439 -4.663 1.00 0.00 H ATOM 690 N ARG A 43 -0.659 15.589 -8.394 1.00 0.00 N ATOM 691 CA ARG A 43 -0.917 16.712 -9.288 1.00 0.00 C ATOM 692 C ARG A 43 -1.606 17.855 -8.554 1.00 0.00 C ATOM 693 O ARG A 43 -2.350 17.632 -7.598 1.00 0.00 O ATOM 694 OXT ARG A 43 -1.426 18.988 -8.904 1.00 0.00 O ATOM 695 CB ARG A 43 -1.780 16.274 -10.463 1.00 0.00 C ATOM 696 CG ARG A 43 -1.112 15.298 -11.418 1.00 0.00 C ATOM 697 CD ARG A 43 -2.055 14.819 -12.461 1.00 0.00 C ATOM 698 NE ARG A 43 -2.477 15.893 -13.346 1.00 0.00 N ATOM 699 CZ ARG A 43 -1.839 16.245 -14.479 1.00 0.00 C ATOM 700 NH1 ARG A 43 -0.754 15.601 -14.851 1.00 0.00 N ATOM 701 NH2 ARG A 43 -2.303 17.238 -15.218 1.00 0.00 N ATOM 702 H ARG A 43 -1.206 14.746 -8.494 1.00 0.00 H ATOM 703 HA ARG A 43 0.038 17.078 -9.668 1.00 0.00 H ATOM 704 1HB ARG A 43 -2.688 15.802 -10.090 1.00 0.00 H ATOM 705 2HB ARG A 43 -2.079 17.149 -11.040 1.00 0.00 H ATOM 706 1HG ARG A 43 -0.274 15.790 -11.914 1.00 0.00 H ATOM 707 2HG ARG A 43 -0.748 14.434 -10.861 1.00 0.00 H ATOM 708 1HD ARG A 43 -1.571 14.051 -13.064 1.00 0.00 H ATOM 709 2HD ARG A 43 -2.942 14.402 -11.985 1.00 0.00 H ATOM 710 HE ARG A 43 -3.307 16.411 -13.094 1.00 0.00 H ATOM 711 1HH1 ARG A 43 -0.399 14.842 -14.286 1.00 0.00 H ATOM 712 2HH1 ARG A 43 -0.276 15.865 -15.700 1.00 0.00 H ATOM 713 1HH2 ARG A 43 -3.136 17.733 -14.932 1.00 0.00 H ATOM 714 2HH2 ARG A 43 -1.825 17.502 -16.066 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE nods_bigger.blueprint.44_try4_pass_20150322172459_0001_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 rama omega fa_dun p_aa_pp ref total weights 0.8 0.44 0.75 0.004 0.7 1 1.17 1.17 1.17 1.1 1 0.2 0.5 0.56 0.32 1 NA pose -174.114 16.9372 100.459 0.28525 -21.8631 0.01579 -22.6234 -1.67885 -2.34414 -6.84398 0 -6.81963 2.37861 51.5977 -5.18934 -18.1737 -87.977 ASN:NtermProteinFull_1 -3.65552 0.26228 2.68857 0.01321 -0.45593 0 0 0 -0.6348 0 0 0 0.18047 1.40048 0 -0.94198 -1.14322 ASP_2 -2.51225 0.21997 1.79078 0.00336 -0.11627 0 0 0 0 0 0 -0.18647 0.00623 1.3183 -0.0177 -1.28682 -0.78088 GLU_3 -3.36684 0.29023 2.56963 0.00507 -1.01969 0 0 0 0 -0.211 0 -0.25971 0.23175 2.37906 -0.15162 -1.55374 -1.08687 ALA_4 -3.78381 0.46727 1.88749 0.00074 -0.26132 0 0 0 -0.24231 0 0 -0.18666 0.05681 0 -0.17348 0.59294 -1.64234 LYS_5 -6.24007 0.34224 3.29545 0.00309 -1.03257 0 0 0 0 -0.44607 0 -0.23873 0.10214 0.98266 -0.04187 -0.28737 -3.56111 LYS_6 -4.30752 0.38225 3.02904 0.00311 -1.19024 0 0 0 0 -0.211 0 -0.15411 0.15738 0.90562 -0.03951 -0.28737 -1.71235 GLU_7 -3.72843 0.32809 2.36356 0.00723 -0.4487 0 0 0 0 0 0 -0.14944 0.00168 2.17701 -0.10514 -1.55374 -1.10788 ALA_8 -4.37799 0.57349 1.95887 0.00074 -0.28205 0 0 0 0 0 0 -0.16268 0.07769 0 -0.18904 0.59294 -1.80803 GLU_9 -4.83229 0.39463 3.05569 0.00763 -0.95627 0 0 0 0 0 0 -0.08916 0.00115 2.12742 -0.10706 -1.55374 -1.95199 LYS_10 -3.68381 0.24558 2.23342 0.00312 -0.16635 0 0 0 0 0 0 -0.173 0.00014 0.8572 -0.04509 -0.28737 -1.01618 LEU_11 -5.51442 0.49641 2.40544 0.00658 -0.30046 0 0 0 0 0 0 -0.0982 0.01338 0.30641 -0.12081 0.60233 -2.20334 TRP_12 -6.44063 0.54638 2.90783 0.02304 -0.4817 0 0 0 0 -0.47673 0 -0.1431 0.01393 1.47583 -0.00147 0.92933 -1.64728 LYS_13 -3.43289 0.34421 2.2392 0.00322 -0.78313 0 0 0 0 0 0 -0.26249 0.13274 0.71279 -0.02659 -0.28737 -1.36031 ASN_14 -3.45241 0.56692 2.28379 0.00417 -0.24508 0 0 0 0 0 0 -0.23445 0.20909 1.46878 -0.36978 -0.94198 -0.71095 ASN_15 -1.91944 0.40619 1.3733 0.00466 -0.09917 0 0 0 0 0 0 -0.30251 0.0866 1.30328 -0.53755 -0.94198 -0.62663 LYS_16 -2.9884 0.28969 1.38645 0.00567 0.03954 0 0 0 0 0 0 -0.11298 0.03561 1.00696 -0.04056 -0.28737 -0.66539 SER_17 -2.57191 0.26179 1.92009 0.00204 -0.50276 0 0 0 -0.24991 0 0 -0.12091 0.01534 0.30908 0.10776 0.17658 -0.65281 GLU_18 -4.13813 0.18195 2.92232 0.0046 -1.45837 0 0 0 0 -0.82241 0 -0.26876 0.03441 2.13186 -0.13379 -1.55374 -3.10006 ASP_19 -2.35486 0.2232 1.67332 0.00334 -0.10707 0 0 0 0 0 0 -0.0897 0.15781 1.31422 0.0647 -1.28682 -0.40186 GLU_20 -3.99137 0.30593 2.86819 0.00745 -0.99294 0 0 0 -0.24991 -0.52013 0 -0.15226 0.00614 2.47708 -0.10392 -1.55374 -1.89948 ILE_21 -6.05511 0.67401 2.00673 0.02066 -0.33046 0 0 0 0 0 0 0.00386 0.00788 0.08843 -0.0502 0.8318 -2.8024 LYS_22 -5.50191 0.4123 3.57656 0.00459 -1.17971 0 0 0 0 -0.47079 0 -0.15283 0.10311 1.01405 -0.04263 -0.28737 -2.52465 GLU_23 -4.36748 0.36587 3.102 0.00772 -1.07807 0 0 0 0 -0.41371 0 -0.13299 0.00277 2.28553 -0.09955 -1.55374 -1.88165 ARG_24 -4.75457 0.28096 3.07871 0.00965 -1.14815 0 0 0 0 -0.52013 0 -0.16385 0.02624 1.73111 -0.08793 -0.14916 -1.69711 LEU_25 -6.26032 0.75451 2.02991 0.00621 -0.26856 0 0 0 0 0 0 -0.11187 0.06646 0.29252 -0.121 0.60233 -3.0098 GLU_26 -4.63472 0.62605 3.05957 0.00457 -0.35541 0 0 0 0 0 0 -0.23204 0.05554 2.1237 -0.11566 -1.55374 -1.02213 ARG_27 -3.03681 0.34907 2.05945 0.00964 -0.87554 0 0 0 0 -0.41371 0 -0.25395 0.01076 1.45844 -0.08661 -0.14916 -0.92842 ALA_28 -2.72743 0.534 1.40044 0.00112 -0.1669 0 0 0 -0.39248 0 0 -0.1848 0.10039 0 -0.03687 0.59294 -0.87957 GLY_29 -1.30783 0.30752 0.83023 1e-05 -0.01461 0 0 0 0 0 0 -0.20439 0.02961 0 -0.79591 0.14053 -1.01485 ILE_30 -4.67765 0.90853 1.76055 0.01741 0.09531 0 0 0 0 0 0 -0.22841 0.1402 0.22564 -0.35712 0.8318 -1.28374 SER_31 -2.66734 0.63296 1.95341 0.00157 -0.48399 0.0001 0 0 -0.28737 0 0 -0.23779 0.00019 0.46558 -0.08889 0.17658 -0.53499 PRO_32 -2.93194 0.27883 1.91239 0.00094 -0.37866 0.01569 0 0 0 0 0 -0.00115 0.00716 0.08138 -0.25189 -0.21929 -1.48653 ASP_33 -2.3776 0.27848 1.58757 0.00329 -0.16903 0 0 0 0 0 0 -0.0895 0.00096 1.34333 0.05851 -1.28682 -0.65082 GLU_34 -3.66825 0.25544 2.52784 0.00963 -1.07276 0 0 0 -0.28737 -0.44607 0 -0.22516 0.02241 2.4566 -0.15835 -1.55374 -2.13977 ALA_35 -4.26423 0.2743 1.71186 0.00073 -0.2792 0 0 0 0 0 0 -0.14267 0.05466 0 -0.16652 0.59294 -2.21812 GLU_36 -4.50914 0.3469 3.41551 0.00807 -1.42406 0 0 0 0 -0.75076 0 -0.19407 0.00011 2.76476 -0.11045 -1.55374 -2.00686 GLN_37 -3.95099 0.4095 2.55937 0.00717 -0.59435 0 0 0 0 -0.25791 0 -0.08137 0.00952 2.08303 -0.06773 -1.17797 -1.06173 TRP_38 -7.59688 0.55688 3.4435 0.02421 -0.37005 0 0 0 0 0 0 -0.12787 0.05676 1.7256 -0.04047 0.92933 -1.399 LEU_39 -5.48068 0.41511 2.27474 0.00667 -0.20767 0 0 0 0 0 0 -0.11232 0.04129 0.21823 -0.12152 0.60233 -2.36383 GLN_40 -3.89119 0.30542 2.55564 0.00569 -0.3072 0 0 0 0 -0.27997 0 -0.20904 0.07112 2.13592 -0.12336 -1.17797 -0.91493 GLU_41 -3.18654 0.3437 2.06961 0.00534 -0.22508 0 0 0 0 -0.25791 0 -0.23339 0.02627 2.32246 -0.17309 -1.55374 -0.86238 LEU_42 -5.31695 0.31753 1.80677 0.00679 0.21837 0 0 0 0 0 0 -0.11871 0.02475 0.20256 -0.11956 0.60233 -2.3761 ARG:CtermProteinFull_43 -3.65535 0.18064 2.88374 0.01149 -0.38681 0 0 0 0 -0.34568 0 0 0 1.92478 0 -0.14916 0.46364 #END_POSE_ENERGIES_TABLE nods_bigger.blueprint.44_try4_pass_20150322172459_0001_0001.pdb AlaCount 4 bb -0.039034 buried_minus_exposed 3872.78 buried_np 5272.89 buried_over_exposed 3.76603 cavity_volume 18.7867 contact_all 228 contact_core_SASA 228 contact_core_SCN 228 degree 10.0233 degree_core_SASA 10.0233 degree_core_SCN 10.0233 exposed_hydrophobics 1400.11 holes 1.707 mismatch_probability 0.105376 one_core_each 1 pack 0.640776 percent_core_SASA 0.0697512 percent_core_SCN 0.162753 res_count_core_SASA 3 res_count_core_SCN 7 ss_sc 0.756856 two_core_each 1 unsat_hbond 3
HHH_rd1_0197.pdb
ATOM 1 N PRO A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA PRO A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C PRO A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O PRO A 1 2.727 1.818 -0.918 1.00 0.00 O ATOM 5 CB PRO A 1 1.803 -0.740 -1.297 1.00 0.00 C ATOM 6 CG PRO A 1 0.688 -0.392 -2.223 1.00 0.00 C ATOM 7 CD PRO A 1 -0.535 -0.368 -1.345 1.00 0.00 C ATOM 8 1H PRO A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 9 2H PRO A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 10 HA PRO A 1 1.804 -0.503 0.903 1.00 0.00 H ATOM 11 1HB PRO A 1 2.784 -0.411 -1.668 1.00 0.00 H ATOM 12 2HB PRO A 1 1.877 -1.820 -1.105 1.00 0.00 H ATOM 13 1HG PRO A 1 0.883 0.578 -2.705 1.00 0.00 H ATOM 14 2HG PRO A 1 0.617 -1.138 -3.029 1.00 0.00 H ATOM 15 1HD PRO A 1 -1.238 0.392 -1.716 1.00 0.00 H ATOM 16 2HD PRO A 1 -1.004 -1.363 -1.343 1.00 0.00 H ATOM 17 N ASP A 2 1.669 2.181 1.034 1.00 0.00 N ATOM 18 CA ASP A 2 2.052 3.586 1.111 1.00 0.00 C ATOM 19 C ASP A 2 3.556 3.737 1.298 1.00 0.00 C ATOM 20 O ASP A 2 4.178 4.627 0.717 1.00 0.00 O ATOM 21 CB ASP A 2 1.317 4.281 2.260 1.00 0.00 C ATOM 22 CG ASP A 2 -0.173 4.448 1.994 1.00 0.00 C ATOM 23 OD1 ASP A 2 -0.581 4.267 0.872 1.00 0.00 O ATOM 24 OD2 ASP A 2 -0.890 4.755 2.917 1.00 0.00 O ATOM 25 H ASP A 2 1.130 1.777 1.787 1.00 0.00 H ATOM 26 HA ASP A 2 1.765 4.074 0.179 1.00 0.00 H ATOM 27 1HB ASP A 2 1.446 3.704 3.176 1.00 0.00 H ATOM 28 2HB ASP A 2 1.753 5.266 2.428 1.00 0.00 H ATOM 29 N ASP A 3 4.137 2.862 2.112 1.00 0.00 N ATOM 30 CA ASP A 3 5.578 2.863 2.336 1.00 0.00 C ATOM 31 C ASP A 3 6.335 2.553 1.051 1.00 0.00 C ATOM 32 O ASP A 3 7.355 3.176 0.755 1.00 0.00 O ATOM 33 CB ASP A 3 5.954 1.844 3.415 1.00 0.00 C ATOM 34 CG ASP A 3 5.514 2.269 4.810 1.00 0.00 C ATOM 35 OD1 ASP A 3 5.196 3.421 4.986 1.00 0.00 O ATOM 36 OD2 ASP A 3 5.502 1.437 5.685 1.00 0.00 O ATOM 37 H ASP A 3 3.565 2.179 2.588 1.00 0.00 H ATOM 38 HA ASP A 3 5.873 3.852 2.686 1.00 0.00 H ATOM 39 1HB ASP A 3 5.496 0.882 3.183 1.00 0.00 H ATOM 40 2HB ASP A 3 7.034 1.700 3.418 1.00 0.00 H ATOM 41 N LEU A 4 5.830 1.588 0.291 1.00 0.00 N ATOM 42 CA LEU A 4 6.431 1.225 -0.987 1.00 0.00 C ATOM 43 C LEU A 4 6.276 2.347 -2.007 1.00 0.00 C ATOM 44 O LEU A 4 7.174 2.595 -2.811 1.00 0.00 O ATOM 45 CB LEU A 4 5.790 -0.059 -1.529 1.00 0.00 C ATOM 46 CG LEU A 4 6.054 -1.330 -0.712 1.00 0.00 C ATOM 47 CD1 LEU A 4 5.247 -2.484 -1.292 1.00 0.00 C ATOM 48 CD2 LEU A 4 7.543 -1.642 -0.724 1.00 0.00 C ATOM 49 H LEU A 4 5.008 1.092 0.606 1.00 0.00 H ATOM 50 HA LEU A 4 7.494 1.041 -0.830 1.00 0.00 H ATOM 51 1HB LEU A 4 4.712 0.085 -1.579 1.00 0.00 H ATOM 52 2HB LEU A 4 6.160 -0.232 -2.540 1.00 0.00 H ATOM 53 HG LEU A 4 5.724 -1.176 0.316 1.00 0.00 H ATOM 54 1HD1 LEU A 4 5.434 -3.387 -0.711 1.00 0.00 H ATOM 55 2HD1 LEU A 4 4.185 -2.241 -1.253 1.00 0.00 H ATOM 56 3HD1 LEU A 4 5.544 -2.650 -2.327 1.00 0.00 H ATOM 57 1HD2 LEU A 4 7.730 -2.545 -0.143 1.00 0.00 H ATOM 58 2HD2 LEU A 4 7.873 -1.797 -1.752 1.00 0.00 H ATOM 59 3HD2 LEU A 4 8.093 -0.809 -0.288 1.00 0.00 H ATOM 60 N GLU A 5 5.132 3.021 -1.967 1.00 0.00 N ATOM 61 CA GLU A 5 4.890 4.170 -2.832 1.00 0.00 C ATOM 62 C GLU A 5 5.933 5.257 -2.610 1.00 0.00 C ATOM 63 O GLU A 5 6.531 5.761 -3.560 1.00 0.00 O ATOM 64 CB GLU A 5 3.489 4.736 -2.588 1.00 0.00 C ATOM 65 CG GLU A 5 3.163 5.979 -3.402 1.00 0.00 C ATOM 66 CD GLU A 5 1.850 6.603 -3.017 1.00 0.00 C ATOM 67 OE1 GLU A 5 1.030 5.917 -2.455 1.00 0.00 O ATOM 68 OE2 GLU A 5 1.667 7.767 -3.286 1.00 0.00 O ATOM 69 H GLU A 5 4.412 2.731 -1.322 1.00 0.00 H ATOM 70 HA GLU A 5 4.945 3.839 -3.870 1.00 0.00 H ATOM 71 1HB GLU A 5 2.744 3.976 -2.823 1.00 0.00 H ATOM 72 2HB GLU A 5 3.378 4.988 -1.533 1.00 0.00 H ATOM 73 1HG GLU A 5 3.956 6.713 -3.260 1.00 0.00 H ATOM 74 2HG GLU A 5 3.137 5.713 -4.458 1.00 0.00 H ATOM 75 N LYS A 6 6.148 5.614 -1.348 1.00 0.00 N ATOM 76 CA LYS A 6 7.125 6.639 -0.998 1.00 0.00 C ATOM 77 C LYS A 6 8.517 6.264 -1.490 1.00 0.00 C ATOM 78 O LYS A 6 9.260 7.112 -1.984 1.00 0.00 O ATOM 79 CB LYS A 6 7.145 6.864 0.515 1.00 0.00 C ATOM 80 CG LYS A 6 5.904 7.555 1.064 1.00 0.00 C ATOM 81 CD LYS A 6 5.981 7.709 2.576 1.00 0.00 C ATOM 82 CE LYS A 6 4.733 8.380 3.129 1.00 0.00 C ATOM 83 NZ LYS A 6 4.782 8.514 4.610 1.00 0.00 N ATOM 84 H LYS A 6 5.621 5.165 -0.613 1.00 0.00 H ATOM 85 HA LYS A 6 6.828 7.576 -1.469 1.00 0.00 H ATOM 86 1HB LYS A 6 7.248 5.906 1.025 1.00 0.00 H ATOM 87 2HB LYS A 6 8.011 7.471 0.781 1.00 0.00 H ATOM 88 1HG LYS A 6 5.806 8.542 0.611 1.00 0.00 H ATOM 89 2HG LYS A 6 5.020 6.970 0.812 1.00 0.00 H ATOM 90 1HD LYS A 6 6.091 6.727 3.037 1.00 0.00 H ATOM 91 2HD LYS A 6 6.851 8.312 2.836 1.00 0.00 H ATOM 92 1HE LYS A 6 4.628 9.372 2.691 1.00 0.00 H ATOM 93 2HE LYS A 6 3.854 7.793 2.860 1.00 0.00 H ATOM 94 1HZ LYS A 6 3.938 8.962 4.937 1.00 0.00 H ATOM 95 2HZ LYS A 6 4.861 7.598 5.029 1.00 0.00 H ATOM 96 3HZ LYS A 6 5.582 9.073 4.872 1.00 0.00 H ATOM 97 N ARG A 7 8.864 4.989 -1.352 1.00 0.00 N ATOM 98 CA ARG A 7 10.143 4.486 -1.839 1.00 0.00 C ATOM 99 C ARG A 7 10.215 4.543 -3.360 1.00 0.00 C ATOM 100 O ARG A 7 11.245 4.905 -3.929 1.00 0.00 O ATOM 101 CB ARG A 7 10.366 3.053 -1.378 1.00 0.00 C ATOM 102 CG ARG A 7 11.736 2.481 -1.708 1.00 0.00 C ATOM 103 CD ARG A 7 12.821 3.219 -1.012 1.00 0.00 C ATOM 104 NE ARG A 7 14.093 2.519 -1.098 1.00 0.00 N ATOM 105 CZ ARG A 7 15.279 3.041 -0.728 1.00 0.00 C ATOM 106 NH1 ARG A 7 15.339 4.264 -0.251 1.00 0.00 N ATOM 107 NH2 ARG A 7 16.382 2.322 -0.845 1.00 0.00 N ATOM 108 H ARG A 7 8.225 4.351 -0.899 1.00 0.00 H ATOM 109 HA ARG A 7 10.939 5.108 -1.428 1.00 0.00 H ATOM 110 1HB ARG A 7 10.236 2.995 -0.298 1.00 0.00 H ATOM 111 2HB ARG A 7 9.619 2.404 -1.833 1.00 0.00 H ATOM 112 1HG ARG A 7 11.778 1.437 -1.398 1.00 0.00 H ATOM 113 2HG ARG A 7 11.909 2.548 -2.782 1.00 0.00 H ATOM 114 1HD ARG A 7 12.942 4.202 -1.466 1.00 0.00 H ATOM 115 2HD ARG A 7 12.566 3.334 0.041 1.00 0.00 H ATOM 116 HE ARG A 7 14.087 1.575 -1.460 1.00 0.00 H ATOM 117 1HH1 ARG A 7 14.496 4.813 -0.161 1.00 0.00 H ATOM 118 2HH1 ARG A 7 16.228 4.655 0.026 1.00 0.00 H ATOM 119 1HH2 ARG A 7 16.336 1.381 -1.212 1.00 0.00 H ATOM 120 2HH2 ARG A 7 17.271 2.713 -0.568 1.00 0.00 H ATOM 121 N ALA A 8 9.115 4.185 -4.013 1.00 0.00 N ATOM 122 CA ALA A 8 9.030 4.254 -5.467 1.00 0.00 C ATOM 123 C ALA A 8 9.202 5.684 -5.961 1.00 0.00 C ATOM 124 O ALA A 8 9.873 5.928 -6.964 1.00 0.00 O ATOM 125 CB ALA A 8 7.703 3.685 -5.948 1.00 0.00 C ATOM 126 H ALA A 8 8.317 3.856 -3.489 1.00 0.00 H ATOM 127 HA ALA A 8 9.825 3.639 -5.890 1.00 0.00 H ATOM 128 1HB ALA A 8 7.655 3.743 -7.035 1.00 0.00 H ATOM 129 2HB ALA A 8 7.620 2.643 -5.637 1.00 0.00 H ATOM 130 3HB ALA A 8 6.884 4.258 -5.517 1.00 0.00 H ATOM 131 N ARG A 9 8.593 6.628 -5.251 1.00 0.00 N ATOM 132 CA ARG A 9 8.716 8.041 -5.590 1.00 0.00 C ATOM 133 C ARG A 9 10.161 8.510 -5.477 1.00 0.00 C ATOM 134 O ARG A 9 10.648 9.259 -6.324 1.00 0.00 O ATOM 135 CB ARG A 9 7.839 8.888 -4.680 1.00 0.00 C ATOM 136 CG ARG A 9 6.345 8.769 -4.940 1.00 0.00 C ATOM 137 CD ARG A 9 5.557 9.620 -4.013 1.00 0.00 C ATOM 138 NE ARG A 9 4.126 9.465 -4.218 1.00 0.00 N ATOM 139 CZ ARG A 9 3.409 10.129 -5.145 1.00 0.00 C ATOM 140 NH1 ARG A 9 4.003 10.988 -5.944 1.00 0.00 N ATOM 141 NH2 ARG A 9 2.109 9.916 -5.253 1.00 0.00 N ATOM 142 H ARG A 9 8.030 6.360 -4.457 1.00 0.00 H ATOM 143 HA ARG A 9 8.382 8.181 -6.618 1.00 0.00 H ATOM 144 1HB ARG A 9 8.016 8.609 -3.642 1.00 0.00 H ATOM 145 2HB ARG A 9 8.109 9.938 -4.788 1.00 0.00 H ATOM 146 1HG ARG A 9 6.128 9.081 -5.961 1.00 0.00 H ATOM 147 2HG ARG A 9 6.033 7.732 -4.803 1.00 0.00 H ATOM 148 1HD ARG A 9 5.786 9.346 -2.983 1.00 0.00 H ATOM 149 2HD ARG A 9 5.813 10.667 -4.174 1.00 0.00 H ATOM 150 HE ARG A 9 3.634 8.812 -3.622 1.00 0.00 H ATOM 151 1HH1 ARG A 9 4.997 11.150 -5.862 1.00 0.00 H ATOM 152 2HH1 ARG A 9 3.466 11.485 -6.639 1.00 0.00 H ATOM 153 1HH2 ARG A 9 1.652 9.256 -4.639 1.00 0.00 H ATOM 154 2HH2 ARG A 9 1.573 10.414 -5.948 1.00 0.00 H ATOM 155 N GLU A 10 10.842 8.066 -4.427 1.00 0.00 N ATOM 156 CA GLU A 10 12.270 8.318 -4.277 1.00 0.00 C ATOM 157 C GLU A 10 13.055 7.760 -5.458 1.00 0.00 C ATOM 158 O GLU A 10 13.888 8.451 -6.044 1.00 0.00 O ATOM 159 CB GLU A 10 12.787 7.705 -2.974 1.00 0.00 C ATOM 160 CG GLU A 10 14.275 7.911 -2.728 1.00 0.00 C ATOM 161 CD GLU A 10 14.771 7.193 -1.504 1.00 0.00 C ATOM 162 OE1 GLU A 10 13.963 6.651 -0.788 1.00 0.00 O ATOM 163 OE2 GLU A 10 15.959 7.187 -1.284 1.00 0.00 O ATOM 164 H GLU A 10 10.358 7.539 -3.714 1.00 0.00 H ATOM 165 HA GLU A 10 12.428 9.396 -4.231 1.00 0.00 H ATOM 166 1HB GLU A 10 12.246 8.135 -2.130 1.00 0.00 H ATOM 167 2HB GLU A 10 12.593 6.632 -2.974 1.00 0.00 H ATOM 168 1HG GLU A 10 14.828 7.551 -3.595 1.00 0.00 H ATOM 169 2HG GLU A 10 14.471 8.977 -2.623 1.00 0.00 H ATOM 170 N LEU A 11 12.784 6.506 -5.802 1.00 0.00 N ATOM 171 CA LEU A 11 13.491 5.840 -6.889 1.00 0.00 C ATOM 172 C LEU A 11 13.248 6.544 -8.218 1.00 0.00 C ATOM 173 O LEU A 11 14.145 6.635 -9.057 1.00 0.00 O ATOM 174 CB LEU A 11 13.048 4.375 -6.991 1.00 0.00 C ATOM 175 CG LEU A 11 13.456 3.474 -5.819 1.00 0.00 C ATOM 176 CD1 LEU A 11 12.761 2.125 -5.948 1.00 0.00 C ATOM 177 CD2 LEU A 11 14.969 3.309 -5.807 1.00 0.00 C ATOM 178 H LEU A 11 12.069 6.001 -5.298 1.00 0.00 H ATOM 179 HA LEU A 11 14.560 5.863 -6.672 1.00 0.00 H ATOM 180 1HB LEU A 11 11.963 4.345 -7.069 1.00 0.00 H ATOM 181 2HB LEU A 11 13.469 3.947 -7.901 1.00 0.00 H ATOM 182 HG LEU A 11 13.133 3.927 -4.882 1.00 0.00 H ATOM 183 1HD1 LEU A 11 13.050 1.485 -5.115 1.00 0.00 H ATOM 184 2HD1 LEU A 11 11.680 2.271 -5.935 1.00 0.00 H ATOM 185 3HD1 LEU A 11 13.052 1.654 -6.886 1.00 0.00 H ATOM 186 1HD2 LEU A 11 15.259 2.669 -4.973 1.00 0.00 H ATOM 187 2HD2 LEU A 11 15.293 2.855 -6.744 1.00 0.00 H ATOM 188 3HD2 LEU A 11 15.440 4.286 -5.696 1.00 0.00 H ATOM 189 N LEU A 12 12.030 7.041 -8.404 1.00 0.00 N ATOM 190 CA LEU A 12 11.703 7.851 -9.572 1.00 0.00 C ATOM 191 C LEU A 12 12.536 9.126 -9.608 1.00 0.00 C ATOM 192 O LEU A 12 13.017 9.535 -10.665 1.00 0.00 O ATOM 193 CB LEU A 12 10.211 8.208 -9.569 1.00 0.00 C ATOM 194 CG LEU A 12 9.251 7.055 -9.888 1.00 0.00 C ATOM 195 CD1 LEU A 12 7.821 7.488 -9.596 1.00 0.00 C ATOM 196 CD2 LEU A 12 9.413 6.649 -11.346 1.00 0.00 C ATOM 197 H LEU A 12 11.312 6.854 -7.719 1.00 0.00 H ATOM 198 HA LEU A 12 11.917 7.268 -10.468 1.00 0.00 H ATOM 199 1HB LEU A 12 9.949 8.594 -8.585 1.00 0.00 H ATOM 200 2HB LEU A 12 10.041 8.995 -10.303 1.00 0.00 H ATOM 201 HG LEU A 12 9.479 6.203 -9.247 1.00 0.00 H ATOM 202 1HD1 LEU A 12 7.139 6.669 -9.823 1.00 0.00 H ATOM 203 2HD1 LEU A 12 7.729 7.755 -8.543 1.00 0.00 H ATOM 204 3HD1 LEU A 12 7.570 8.351 -10.213 1.00 0.00 H ATOM 205 1HD2 LEU A 12 8.731 5.828 -11.573 1.00 0.00 H ATOM 206 2HD2 LEU A 12 9.184 7.499 -11.988 1.00 0.00 H ATOM 207 3HD2 LEU A 12 10.439 6.326 -11.522 1.00 0.00 H ATOM 208 N LYS A 13 12.704 9.751 -8.448 1.00 0.00 N ATOM 209 CA LYS A 13 13.537 10.942 -8.332 1.00 0.00 C ATOM 210 C LYS A 13 15.004 10.614 -8.581 1.00 0.00 C ATOM 211 O LYS A 13 15.781 11.475 -8.993 1.00 0.00 O ATOM 212 CB LYS A 13 13.368 11.582 -6.953 1.00 0.00 C ATOM 213 CG LYS A 13 12.013 12.239 -6.727 1.00 0.00 C ATOM 214 CD LYS A 13 11.902 12.808 -5.320 1.00 0.00 C ATOM 215 CE LYS A 13 10.546 13.457 -5.090 1.00 0.00 C ATOM 216 NZ LYS A 13 10.415 13.998 -3.710 1.00 0.00 N ATOM 217 H LYS A 13 12.242 9.392 -7.624 1.00 0.00 H ATOM 218 HA LYS A 13 13.210 11.667 -9.078 1.00 0.00 H ATOM 219 1HB LYS A 13 13.506 10.825 -6.181 1.00 0.00 H ATOM 220 2HB LYS A 13 14.136 12.342 -6.808 1.00 0.00 H ATOM 221 1HG LYS A 13 11.874 13.045 -7.448 1.00 0.00 H ATOM 222 2HG LYS A 13 11.223 11.503 -6.875 1.00 0.00 H ATOM 223 1HD LYS A 13 12.042 12.008 -4.592 1.00 0.00 H ATOM 224 2HD LYS A 13 12.682 13.554 -5.168 1.00 0.00 H ATOM 225 1HE LYS A 13 10.406 14.270 -5.801 1.00 0.00 H ATOM 226 2HE LYS A 13 9.758 12.722 -5.254 1.00 0.00 H ATOM 227 1HZ LYS A 13 9.503 14.419 -3.597 1.00 0.00 H ATOM 228 2HZ LYS A 13 10.524 13.248 -3.041 1.00 0.00 H ATOM 229 3HZ LYS A 13 11.129 14.696 -3.552 1.00 0.00 H ATOM 230 N ARG A 14 15.377 9.364 -8.328 1.00 0.00 N ATOM 231 CA ARG A 14 16.742 8.910 -8.561 1.00 0.00 C ATOM 232 C ARG A 14 16.939 8.475 -10.007 1.00 0.00 C ATOM 233 O ARG A 14 18.031 8.062 -10.398 1.00 0.00 O ATOM 234 CB ARG A 14 17.087 7.752 -7.635 1.00 0.00 C ATOM 235 CG ARG A 14 17.212 8.123 -6.166 1.00 0.00 C ATOM 236 CD ARG A 14 17.578 6.950 -5.332 1.00 0.00 C ATOM 237 NE ARG A 14 17.653 7.290 -3.920 1.00 0.00 N ATOM 238 CZ ARG A 14 18.734 7.823 -3.318 1.00 0.00 C ATOM 239 NH1 ARG A 14 19.820 8.071 -4.017 1.00 0.00 N ATOM 240 NH2 ARG A 14 18.703 8.097 -2.026 1.00 0.00 N ATOM 241 H ARG A 14 14.697 8.712 -7.965 1.00 0.00 H ATOM 242 HA ARG A 14 17.421 9.741 -8.367 1.00 0.00 H ATOM 243 1HB ARG A 14 16.322 6.982 -7.717 1.00 0.00 H ATOM 244 2HB ARG A 14 18.033 7.308 -7.945 1.00 0.00 H ATOM 245 1HG ARG A 14 17.984 8.883 -6.047 1.00 0.00 H ATOM 246 2HG ARG A 14 16.259 8.515 -5.807 1.00 0.00 H ATOM 247 1HD ARG A 14 16.829 6.168 -5.455 1.00 0.00 H ATOM 248 2HD ARG A 14 18.551 6.572 -5.644 1.00 0.00 H ATOM 249 HE ARG A 14 16.837 7.114 -3.350 1.00 0.00 H ATOM 250 1HH1 ARG A 14 19.844 7.862 -5.005 1.00 0.00 H ATOM 251 2HH1 ARG A 14 20.630 8.471 -3.566 1.00 0.00 H ATOM 252 1HH2 ARG A 14 17.867 7.907 -1.489 1.00 0.00 H ATOM 253 2HH2 ARG A 14 19.512 8.497 -1.575 1.00 0.00 H ATOM 254 N GLY A 15 15.876 8.571 -10.798 1.00 0.00 N ATOM 255 CA GLY A 15 15.956 8.288 -12.226 1.00 0.00 C ATOM 256 C GLY A 15 15.990 6.788 -12.490 1.00 0.00 C ATOM 257 O GLY A 15 16.683 6.323 -13.395 1.00 0.00 O ATOM 258 H GLY A 15 14.990 8.846 -10.400 1.00 0.00 H ATOM 259 1HA GLY A 15 15.098 8.731 -12.734 1.00 0.00 H ATOM 260 2HA GLY A 15 16.849 8.754 -12.640 1.00 0.00 H ATOM 261 N LYS A 16 15.238 6.035 -11.694 1.00 0.00 N ATOM 262 CA LYS A 16 15.144 4.591 -11.870 1.00 0.00 C ATOM 263 C LYS A 16 14.001 4.224 -12.809 1.00 0.00 C ATOM 264 O LYS A 16 13.018 4.955 -12.921 1.00 0.00 O ATOM 265 CB LYS A 16 14.958 3.898 -10.519 1.00 0.00 C ATOM 266 CG LYS A 16 16.070 4.170 -9.514 1.00 0.00 C ATOM 267 CD LYS A 16 17.405 3.635 -10.009 1.00 0.00 C ATOM 268 CE LYS A 16 18.495 3.811 -8.962 1.00 0.00 C ATOM 269 NZ LYS A 16 19.817 3.334 -9.450 1.00 0.00 N ATOM 270 H LYS A 16 14.718 6.475 -10.948 1.00 0.00 H ATOM 271 HA LYS A 16 16.076 4.234 -12.309 1.00 0.00 H ATOM 272 1HB LYS A 16 14.017 4.219 -10.072 1.00 0.00 H ATOM 273 2HB LYS A 16 14.899 2.820 -10.669 1.00 0.00 H ATOM 274 1HG LYS A 16 16.157 5.245 -9.350 1.00 0.00 H ATOM 275 2HG LYS A 16 15.826 3.694 -8.565 1.00 0.00 H ATOM 276 1HD LYS A 16 17.307 2.575 -10.246 1.00 0.00 H ATOM 277 2HD LYS A 16 17.696 4.166 -10.916 1.00 0.00 H ATOM 278 1HE LYS A 16 18.578 4.864 -8.697 1.00 0.00 H ATOM 279 2HE LYS A 16 18.231 3.253 -8.064 1.00 0.00 H ATOM 280 1HZ LYS A 16 20.511 3.468 -8.728 1.00 0.00 H ATOM 281 2HZ LYS A 16 19.757 2.353 -9.682 1.00 0.00 H ATOM 282 3HZ LYS A 16 20.083 3.858 -10.272 1.00 0.00 H ATOM 283 N ASN A 17 14.138 3.086 -13.481 1.00 0.00 N ATOM 284 CA ASN A 17 13.133 2.636 -14.437 1.00 0.00 C ATOM 285 C ASN A 17 11.967 1.956 -13.732 1.00 0.00 C ATOM 286 O ASN A 17 12.134 1.365 -12.665 1.00 0.00 O ATOM 287 CB ASN A 17 13.752 1.706 -15.464 1.00 0.00 C ATOM 288 CG ASN A 17 14.712 2.413 -16.380 1.00 0.00 C ATOM 289 OD1 ASN A 17 14.422 3.505 -16.880 1.00 0.00 O ATOM 290 ND2 ASN A 17 15.851 1.811 -16.609 1.00 0.00 N ATOM 291 H ASN A 17 14.959 2.518 -13.326 1.00 0.00 H ATOM 292 HA ASN A 17 12.750 3.506 -14.972 1.00 0.00 H ATOM 293 1HB ASN A 17 14.282 0.900 -14.953 1.00 0.00 H ATOM 294 2HB ASN A 17 12.964 1.250 -16.064 1.00 0.00 H ATOM 295 1HD2 ASN A 17 16.529 2.234 -17.211 1.00 0.00 H ATOM 296 2HD2 ASN A 17 16.044 0.927 -16.183 1.00 0.00 H ATOM 297 N PRO A 18 10.786 2.044 -14.334 1.00 0.00 N ATOM 298 CA PRO A 18 9.593 1.419 -13.775 1.00 0.00 C ATOM 299 C PRO A 18 9.836 -0.053 -13.465 1.00 0.00 C ATOM 300 O PRO A 18 9.388 -0.563 -12.438 1.00 0.00 O ATOM 301 CB PRO A 18 8.556 1.598 -14.889 1.00 0.00 C ATOM 302 CG PRO A 18 8.969 2.855 -15.575 1.00 0.00 C ATOM 303 CD PRO A 18 10.474 2.799 -15.584 1.00 0.00 C ATOM 304 HA PRO A 18 9.334 1.933 -12.849 1.00 0.00 H ATOM 305 1HB PRO A 18 8.567 0.724 -15.557 1.00 0.00 H ATOM 306 2HB PRO A 18 7.546 1.659 -14.457 1.00 0.00 H ATOM 307 1HG PRO A 18 8.540 2.894 -16.587 1.00 0.00 H ATOM 308 2HG PRO A 18 8.581 3.729 -15.031 1.00 0.00 H ATOM 309 1HD PRO A 18 10.815 2.260 -16.480 1.00 0.00 H ATOM 310 2HD PRO A 18 10.879 3.822 -15.569 1.00 0.00 H ATOM 311 N ASP A 19 10.548 -0.731 -14.358 1.00 0.00 N ATOM 312 CA ASP A 19 10.861 -2.143 -14.176 1.00 0.00 C ATOM 313 C ASP A 19 11.823 -2.348 -13.013 1.00 0.00 C ATOM 314 O ASP A 19 11.676 -3.287 -12.231 1.00 0.00 O ATOM 315 CB ASP A 19 11.465 -2.728 -15.455 1.00 0.00 C ATOM 316 CG ASP A 19 10.444 -2.887 -16.574 1.00 0.00 C ATOM 317 OD1 ASP A 19 9.276 -2.974 -16.277 1.00 0.00 O ATOM 318 OD2 ASP A 19 10.842 -2.920 -17.714 1.00 0.00 O ATOM 319 H ASP A 19 10.881 -0.255 -15.185 1.00 0.00 H ATOM 320 HA ASP A 19 9.935 -2.678 -13.963 1.00 0.00 H ATOM 321 1HB ASP A 19 12.270 -2.081 -15.807 1.00 0.00 H ATOM 322 2HB ASP A 19 11.901 -3.704 -15.239 1.00 0.00 H ATOM 323 N GLU A 20 12.809 -1.464 -12.905 1.00 0.00 N ATOM 324 CA GLU A 20 13.776 -1.524 -11.814 1.00 0.00 C ATOM 325 C GLU A 20 13.100 -1.304 -10.467 1.00 0.00 C ATOM 326 O GLU A 20 13.431 -1.963 -9.481 1.00 0.00 O ATOM 327 CB GLU A 20 14.877 -0.482 -12.020 1.00 0.00 C ATOM 328 CG GLU A 20 15.814 -0.779 -13.182 1.00 0.00 C ATOM 329 CD GLU A 20 16.780 0.341 -13.456 1.00 0.00 C ATOM 330 OE1 GLU A 20 16.497 1.451 -13.072 1.00 0.00 O ATOM 331 OE2 GLU A 20 17.801 0.086 -14.050 1.00 0.00 O ATOM 332 H GLU A 20 12.892 -0.731 -13.595 1.00 0.00 H ATOM 333 HA GLU A 20 14.239 -2.512 -11.817 1.00 0.00 H ATOM 334 1HB GLU A 20 14.426 0.495 -12.195 1.00 0.00 H ATOM 335 2HB GLU A 20 15.480 -0.407 -11.115 1.00 0.00 H ATOM 336 1HG GLU A 20 16.379 -1.683 -12.958 1.00 0.00 H ATOM 337 2HG GLU A 20 15.220 -0.966 -14.076 1.00 0.00 H ATOM 338 N ILE A 21 12.152 -0.374 -10.431 1.00 0.00 N ATOM 339 CA ILE A 21 11.434 -0.059 -9.202 1.00 0.00 C ATOM 340 C ILE A 21 10.582 -1.236 -8.745 1.00 0.00 C ATOM 341 O ILE A 21 10.619 -1.627 -7.578 1.00 0.00 O ATOM 342 CB ILE A 21 10.541 1.180 -9.389 1.00 0.00 C ATOM 343 CG1 ILE A 21 11.399 2.430 -9.604 1.00 0.00 C ATOM 344 CG2 ILE A 21 9.623 1.361 -8.190 1.00 0.00 C ATOM 345 CD1 ILE A 21 10.618 3.634 -10.076 1.00 0.00 C ATOM 346 H ILE A 21 11.923 0.128 -11.277 1.00 0.00 H ATOM 347 HA ILE A 21 12.164 0.167 -8.423 1.00 0.00 H ATOM 348 HB ILE A 21 9.933 1.058 -10.285 1.00 0.00 H ATOM 349 1HG1 ILE A 21 11.900 2.691 -8.672 1.00 0.00 H ATOM 350 2HG1 ILE A 21 12.174 2.217 -10.342 1.00 0.00 H ATOM 351 1HG2 ILE A 21 8.999 2.242 -8.339 1.00 0.00 H ATOM 352 2HG2 ILE A 21 8.989 0.482 -8.082 1.00 0.00 H ATOM 353 3HG2 ILE A 21 10.222 1.490 -7.289 1.00 0.00 H ATOM 354 1HD1 ILE A 21 11.294 4.479 -10.206 1.00 0.00 H ATOM 355 2HD1 ILE A 21 10.136 3.406 -11.027 1.00 0.00 H ATOM 356 3HD1 ILE A 21 9.859 3.888 -9.336 1.00 0.00 H ATOM 357 N ARG A 22 9.813 -1.798 -9.672 1.00 0.00 N ATOM 358 CA ARG A 22 8.952 -2.935 -9.367 1.00 0.00 C ATOM 359 C ARG A 22 9.756 -4.097 -8.799 1.00 0.00 C ATOM 360 O ARG A 22 9.414 -4.648 -7.752 1.00 0.00 O ATOM 361 CB ARG A 22 8.212 -3.395 -10.614 1.00 0.00 C ATOM 362 CG ARG A 22 7.261 -4.561 -10.399 1.00 0.00 C ATOM 363 CD ARG A 22 6.804 -5.142 -11.688 1.00 0.00 C ATOM 364 NE ARG A 22 7.906 -5.706 -12.450 1.00 0.00 N ATOM 365 CZ ARG A 22 8.394 -5.183 -13.591 1.00 0.00 C ATOM 366 NH1 ARG A 22 7.868 -4.086 -14.089 1.00 0.00 N ATOM 367 NH2 ARG A 22 9.402 -5.772 -14.211 1.00 0.00 N ATOM 368 H ARG A 22 9.825 -1.428 -10.611 1.00 0.00 H ATOM 369 HA ARG A 22 8.216 -2.623 -8.625 1.00 0.00 H ATOM 370 1HB ARG A 22 7.633 -2.567 -11.020 1.00 0.00 H ATOM 371 2HB ARG A 22 8.933 -3.694 -11.375 1.00 0.00 H ATOM 372 1HG ARG A 22 7.765 -5.343 -9.830 1.00 0.00 H ATOM 373 2HG ARG A 22 6.384 -4.219 -9.847 1.00 0.00 H ATOM 374 1HD ARG A 22 6.083 -5.936 -11.493 1.00 0.00 H ATOM 375 2HD ARG A 22 6.335 -4.366 -12.291 1.00 0.00 H ATOM 376 HE ARG A 22 8.337 -6.551 -12.098 1.00 0.00 H ATOM 377 1HH1 ARG A 22 7.097 -3.635 -13.615 1.00 0.00 H ATOM 378 2HH1 ARG A 22 8.233 -3.693 -14.944 1.00 0.00 H ATOM 379 1HH2 ARG A 22 9.807 -6.616 -13.828 1.00 0.00 H ATOM 380 2HH2 ARG A 22 9.767 -5.380 -15.066 1.00 0.00 H ATOM 381 N GLU A 23 10.826 -4.466 -9.495 1.00 0.00 N ATOM 382 CA GLU A 23 11.621 -5.629 -9.118 1.00 0.00 C ATOM 383 C GLU A 23 12.387 -5.377 -7.825 1.00 0.00 C ATOM 384 O GLU A 23 12.567 -6.284 -7.013 1.00 0.00 O ATOM 385 CB GLU A 23 12.598 -5.993 -10.238 1.00 0.00 C ATOM 386 CG GLU A 23 11.934 -6.472 -11.521 1.00 0.00 C ATOM 387 CD GLU A 23 11.058 -7.677 -11.311 1.00 0.00 C ATOM 388 OE1 GLU A 23 11.406 -8.507 -10.506 1.00 0.00 O ATOM 389 OE2 GLU A 23 10.041 -7.766 -11.957 1.00 0.00 O ATOM 390 H GLU A 23 11.095 -3.928 -10.305 1.00 0.00 H ATOM 391 HA GLU A 23 10.949 -6.474 -8.967 1.00 0.00 H ATOM 392 1HB GLU A 23 13.210 -5.125 -10.483 1.00 0.00 H ATOM 393 2HB GLU A 23 13.269 -6.780 -9.895 1.00 0.00 H ATOM 394 1HG GLU A 23 11.327 -5.664 -11.928 1.00 0.00 H ATOM 395 2HG GLU A 23 12.706 -6.713 -12.250 1.00 0.00 H ATOM 396 N TYR A 24 12.836 -4.140 -7.641 1.00 0.00 N ATOM 397 CA TYR A 24 13.511 -3.746 -6.410 1.00 0.00 C ATOM 398 C TYR A 24 12.595 -3.907 -5.204 1.00 0.00 C ATOM 399 O TYR A 24 12.958 -4.548 -4.218 1.00 0.00 O ATOM 400 CB TYR A 24 14.006 -2.301 -6.511 1.00 0.00 C ATOM 401 CG TYR A 24 14.639 -1.783 -5.238 1.00 0.00 C ATOM 402 CD1 TYR A 24 15.984 -2.012 -4.990 1.00 0.00 C ATOM 403 CD2 TYR A 24 13.874 -1.079 -4.320 1.00 0.00 C ATOM 404 CE1 TYR A 24 16.563 -1.539 -3.828 1.00 0.00 C ATOM 405 CE2 TYR A 24 14.453 -0.605 -3.158 1.00 0.00 C ATOM 406 CZ TYR A 24 15.791 -0.834 -2.911 1.00 0.00 C ATOM 407 OH TYR A 24 16.367 -0.362 -1.754 1.00 0.00 O ATOM 408 H TYR A 24 12.706 -3.456 -8.372 1.00 0.00 H ATOM 409 HA TYR A 24 14.384 -4.384 -6.274 1.00 0.00 H ATOM 410 1HB TYR A 24 14.740 -2.223 -7.313 1.00 0.00 H ATOM 411 2HB TYR A 24 13.172 -1.648 -6.766 1.00 0.00 H ATOM 412 HD1 TYR A 24 16.585 -2.566 -5.712 1.00 0.00 H ATOM 413 HD2 TYR A 24 12.817 -0.899 -4.515 1.00 0.00 H ATOM 414 HE1 TYR A 24 17.619 -1.719 -3.633 1.00 0.00 H ATOM 415 HE2 TYR A 24 13.852 -0.052 -2.436 1.00 0.00 H ATOM 416 HH TYR A 24 17.215 -0.793 -1.622 1.00 0.00 H ATOM 417 N LEU A 25 11.405 -3.322 -5.288 1.00 0.00 N ATOM 418 CA LEU A 25 10.462 -3.340 -4.176 1.00 0.00 C ATOM 419 C LEU A 25 9.987 -4.757 -3.880 1.00 0.00 C ATOM 420 O LEU A 25 9.717 -5.104 -2.730 1.00 0.00 O ATOM 421 CB LEU A 25 9.257 -2.445 -4.489 1.00 0.00 C ATOM 422 CG LEU A 25 9.555 -0.944 -4.605 1.00 0.00 C ATOM 423 CD1 LEU A 25 8.287 -0.204 -5.007 1.00 0.00 C ATOM 424 CD2 LEU A 25 10.092 -0.429 -3.278 1.00 0.00 C ATOM 425 H LEU A 25 11.147 -2.853 -6.144 1.00 0.00 H ATOM 426 HA LEU A 25 10.963 -2.947 -3.291 1.00 0.00 H ATOM 427 1HB LEU A 25 8.818 -2.769 -5.431 1.00 0.00 H ATOM 428 2HB LEU A 25 8.513 -2.575 -3.702 1.00 0.00 H ATOM 429 HG LEU A 25 10.298 -0.781 -5.386 1.00 0.00 H ATOM 430 1HD1 LEU A 25 8.499 0.862 -5.090 1.00 0.00 H ATOM 431 2HD1 LEU A 25 7.936 -0.579 -5.969 1.00 0.00 H ATOM 432 3HD1 LEU A 25 7.518 -0.363 -4.252 1.00 0.00 H ATOM 433 1HD2 LEU A 25 10.305 0.637 -3.361 1.00 0.00 H ATOM 434 2HD2 LEU A 25 9.348 -0.591 -2.497 1.00 0.00 H ATOM 435 3HD2 LEU A 25 11.007 -0.963 -3.024 1.00 0.00 H ATOM 436 N ARG A 26 9.885 -5.572 -4.924 1.00 0.00 N ATOM 437 CA ARG A 26 9.590 -6.991 -4.763 1.00 0.00 C ATOM 438 C ARG A 26 10.704 -7.703 -4.006 1.00 0.00 C ATOM 439 O ARG A 26 10.448 -8.439 -3.054 1.00 0.00 O ATOM 440 CB ARG A 26 9.397 -7.655 -6.119 1.00 0.00 C ATOM 441 CG ARG A 26 9.044 -9.133 -6.062 1.00 0.00 C ATOM 442 CD ARG A 26 8.905 -9.716 -7.421 1.00 0.00 C ATOM 443 NE ARG A 26 10.157 -9.679 -8.159 1.00 0.00 N ATOM 444 CZ ARG A 26 11.203 -10.497 -7.932 1.00 0.00 C ATOM 445 NH1 ARG A 26 11.131 -11.409 -6.988 1.00 0.00 N ATOM 446 NH2 ARG A 26 12.301 -10.384 -8.659 1.00 0.00 N ATOM 447 H ARG A 26 10.016 -5.199 -5.854 1.00 0.00 H ATOM 448 HA ARG A 26 8.663 -7.089 -4.196 1.00 0.00 H ATOM 449 1HB ARG A 26 8.602 -7.147 -6.662 1.00 0.00 H ATOM 450 2HB ARG A 26 10.310 -7.556 -6.705 1.00 0.00 H ATOM 451 1HG ARG A 26 9.830 -9.675 -5.536 1.00 0.00 H ATOM 452 2HG ARG A 26 8.098 -9.261 -5.535 1.00 0.00 H ATOM 453 1HD ARG A 26 8.588 -10.755 -7.340 1.00 0.00 H ATOM 454 2HD ARG A 26 8.161 -9.153 -7.984 1.00 0.00 H ATOM 455 HE ARG A 26 10.250 -8.990 -8.893 1.00 0.00 H ATOM 456 1HH1 ARG A 26 10.292 -11.496 -6.432 1.00 0.00 H ATOM 457 2HH1 ARG A 26 11.915 -12.023 -6.819 1.00 0.00 H ATOM 458 1HH2 ARG A 26 12.356 -9.682 -9.385 1.00 0.00 H ATOM 459 2HH2 ARG A 26 13.084 -10.997 -8.490 1.00 0.00 H ATOM 460 N ASN A 27 11.941 -7.479 -4.436 1.00 0.00 N ATOM 461 CA ASN A 27 13.094 -8.128 -3.823 1.00 0.00 C ATOM 462 C ASN A 27 13.277 -7.677 -2.379 1.00 0.00 C ATOM 463 O ASN A 27 13.891 -8.376 -1.574 1.00 0.00 O ATOM 464 CB ASN A 27 14.350 -7.858 -4.630 1.00 0.00 C ATOM 465 CG ASN A 27 14.401 -8.657 -5.903 1.00 0.00 C ATOM 466 OD1 ASN A 27 13.771 -9.714 -6.013 1.00 0.00 O ATOM 467 ND2 ASN A 27 15.140 -8.171 -6.868 1.00 0.00 N ATOM 468 H ASN A 27 12.087 -6.843 -5.206 1.00 0.00 H ATOM 469 HA ASN A 27 12.930 -9.206 -3.834 1.00 0.00 H ATOM 470 1HB ASN A 27 14.403 -6.797 -4.878 1.00 0.00 H ATOM 471 2HB ASN A 27 15.227 -8.098 -4.029 1.00 0.00 H ATOM 472 1HD2 ASN A 27 15.212 -8.660 -7.738 1.00 0.00 H ATOM 473 2HD2 ASN A 27 15.633 -7.311 -6.735 1.00 0.00 H ATOM 474 N ALA A 28 12.741 -6.504 -2.059 1.00 0.00 N ATOM 475 CA ALA A 28 12.791 -5.985 -0.697 1.00 0.00 C ATOM 476 C ALA A 28 12.038 -6.892 0.267 1.00 0.00 C ATOM 477 O ALA A 28 12.259 -6.849 1.477 1.00 0.00 O ATOM 478 CB ALA A 28 12.225 -4.573 -0.647 1.00 0.00 C ATOM 479 H ALA A 28 12.287 -5.958 -2.777 1.00 0.00 H ATOM 480 HA ALA A 28 13.834 -5.940 -0.383 1.00 0.00 H ATOM 481 1HB ALA A 28 12.270 -4.200 0.376 1.00 0.00 H ATOM 482 2HB ALA A 28 12.811 -3.923 -1.296 1.00 0.00 H ATOM 483 3HB ALA A 28 11.190 -4.585 -0.984 1.00 0.00 H ATOM 484 N GLY A 29 11.146 -7.714 -0.277 1.00 0.00 N ATOM 485 CA GLY A 29 10.397 -8.672 0.527 1.00 0.00 C ATOM 486 C GLY A 29 8.896 -8.442 0.400 1.00 0.00 C ATOM 487 O GLY A 29 8.151 -8.592 1.369 1.00 0.00 O ATOM 488 H GLY A 29 10.984 -7.674 -1.273 1.00 0.00 H ATOM 489 1HA GLY A 29 10.642 -9.685 0.208 1.00 0.00 H ATOM 490 2HA GLY A 29 10.695 -8.582 1.571 1.00 0.00 H ATOM 491 N TYR A 30 8.458 -8.077 -0.800 1.00 0.00 N ATOM 492 CA TYR A 30 7.056 -7.754 -1.038 1.00 0.00 C ATOM 493 C TYR A 30 6.549 -8.411 -2.315 1.00 0.00 C ATOM 494 O TYR A 30 7.335 -8.853 -3.152 1.00 0.00 O ATOM 495 CB TYR A 30 6.861 -6.238 -1.108 1.00 0.00 C ATOM 496 CG TYR A 30 7.232 -5.515 0.169 1.00 0.00 C ATOM 497 CD1 TYR A 30 8.540 -5.103 0.378 1.00 0.00 C ATOM 498 CD2 TYR A 30 6.264 -5.265 1.130 1.00 0.00 C ATOM 499 CE1 TYR A 30 8.878 -4.444 1.543 1.00 0.00 C ATOM 500 CE2 TYR A 30 6.602 -4.605 2.295 1.00 0.00 C ATOM 501 CZ TYR A 30 7.903 -4.195 2.503 1.00 0.00 C ATOM 502 OH TYR A 30 8.241 -3.538 3.664 1.00 0.00 O ATOM 503 H TYR A 30 9.112 -8.023 -1.567 1.00 0.00 H ATOM 504 HA TYR A 30 6.467 -8.133 -0.203 1.00 0.00 H ATOM 505 1HB TYR A 30 7.466 -5.829 -1.918 1.00 0.00 H ATOM 506 2HB TYR A 30 5.819 -6.015 -1.334 1.00 0.00 H ATOM 507 HD1 TYR A 30 9.300 -5.300 -0.378 1.00 0.00 H ATOM 508 HD2 TYR A 30 5.236 -5.590 0.966 1.00 0.00 H ATOM 509 HE1 TYR A 30 9.906 -4.120 1.707 1.00 0.00 H ATOM 510 HE2 TYR A 30 5.842 -4.409 3.051 1.00 0.00 H ATOM 511 HH TYR A 30 9.194 -3.437 3.708 1.00 0.00 H ATOM 512 N ASP A 31 5.229 -8.472 -2.459 1.00 0.00 N ATOM 513 CA ASP A 31 4.614 -9.079 -3.633 1.00 0.00 C ATOM 514 C ASP A 31 4.788 -8.199 -4.864 1.00 0.00 C ATOM 515 O ASP A 31 4.833 -6.973 -4.761 1.00 0.00 O ATOM 516 CB ASP A 31 3.124 -9.333 -3.387 1.00 0.00 C ATOM 517 CG ASP A 31 2.501 -10.255 -4.427 1.00 0.00 C ATOM 518 OD1 ASP A 31 2.518 -11.446 -4.222 1.00 0.00 O ATOM 519 OD2 ASP A 31 2.015 -9.760 -5.415 1.00 0.00 O ATOM 520 H ASP A 31 4.637 -8.088 -1.737 1.00 0.00 H ATOM 521 HA ASP A 31 5.102 -10.036 -3.824 1.00 0.00 H ATOM 522 1HB ASP A 31 2.989 -9.777 -2.401 1.00 0.00 H ATOM 523 2HB ASP A 31 2.587 -8.384 -3.396 1.00 0.00 H ATOM 524 N GLN A 32 4.886 -8.832 -6.028 1.00 0.00 N ATOM 525 CA GLN A 32 5.008 -8.105 -7.287 1.00 0.00 C ATOM 526 C GLN A 32 3.873 -7.104 -7.456 1.00 0.00 C ATOM 527 O GLN A 32 4.096 -5.960 -7.855 1.00 0.00 O ATOM 528 CB GLN A 32 5.026 -9.080 -8.468 1.00 0.00 C ATOM 529 CG GLN A 32 5.147 -8.409 -9.826 1.00 0.00 C ATOM 530 CD GLN A 32 5.130 -9.407 -10.968 1.00 0.00 C ATOM 531 OE1 GLN A 32 5.656 -10.518 -10.848 1.00 0.00 O ATOM 532 NE2 GLN A 32 4.524 -9.018 -12.084 1.00 0.00 N ATOM 533 H GLN A 32 4.877 -9.841 -6.042 1.00 0.00 H ATOM 534 HA GLN A 32 5.955 -7.564 -7.284 1.00 0.00 H ATOM 535 1HB GLN A 32 5.862 -9.770 -8.358 1.00 0.00 H ATOM 536 2HB GLN A 32 4.110 -9.671 -8.466 1.00 0.00 H ATOM 537 1HG GLN A 32 4.310 -7.724 -9.958 1.00 0.00 H ATOM 538 2HG GLN A 32 6.088 -7.860 -9.866 1.00 0.00 H ATOM 539 1HE2 GLN A 32 4.481 -9.634 -12.871 1.00 0.00 H ATOM 540 2HE2 GLN A 32 4.111 -8.109 -12.138 1.00 0.00 H ATOM 541 N SER A 33 2.655 -7.539 -7.152 1.00 0.00 N ATOM 542 CA SER A 33 1.473 -6.710 -7.351 1.00 0.00 C ATOM 543 C SER A 33 1.465 -5.524 -6.395 1.00 0.00 C ATOM 544 O SER A 33 0.917 -4.466 -6.708 1.00 0.00 O ATOM 545 CB SER A 33 0.217 -7.536 -7.155 1.00 0.00 C ATOM 546 OG SER A 33 0.084 -7.939 -5.819 1.00 0.00 O ATOM 547 H SER A 33 2.546 -8.469 -6.773 1.00 0.00 H ATOM 548 HA SER A 33 1.481 -6.334 -8.375 1.00 0.00 H ATOM 549 1HB SER A 33 -0.654 -6.950 -7.449 1.00 0.00 H ATOM 550 2HB SER A 33 0.254 -8.413 -7.800 1.00 0.00 H ATOM 551 HG SER A 33 0.771 -8.593 -5.671 1.00 0.00 H ATOM 552 N GLN A 34 2.076 -5.705 -5.230 1.00 0.00 N ATOM 553 CA GLN A 34 2.243 -4.616 -4.274 1.00 0.00 C ATOM 554 C GLN A 34 3.220 -3.570 -4.795 1.00 0.00 C ATOM 555 O GLN A 34 2.987 -2.369 -4.662 1.00 0.00 O ATOM 556 CB GLN A 34 2.726 -5.156 -2.925 1.00 0.00 C ATOM 557 CG GLN A 34 1.683 -5.960 -2.167 1.00 0.00 C ATOM 558 CD GLN A 34 2.222 -6.528 -0.868 1.00 0.00 C ATOM 559 OE1 GLN A 34 3.343 -7.043 -0.818 1.00 0.00 O ATOM 560 NE2 GLN A 34 1.426 -6.439 0.191 1.00 0.00 N ATOM 561 H GLN A 34 2.435 -6.621 -5.000 1.00 0.00 H ATOM 562 HA GLN A 34 1.273 -4.142 -4.118 1.00 0.00 H ATOM 563 1HB GLN A 34 3.596 -5.795 -3.079 1.00 0.00 H ATOM 564 2HB GLN A 34 3.037 -4.326 -2.292 1.00 0.00 H ATOM 565 1HG GLN A 34 0.839 -5.310 -1.932 1.00 0.00 H ATOM 566 2HG GLN A 34 1.353 -6.789 -2.792 1.00 0.00 H ATOM 567 1HE2 GLN A 34 1.728 -6.797 1.076 1.00 0.00 H ATOM 568 2HE2 GLN A 34 0.525 -6.014 0.106 1.00 0.00 H ATOM 569 N ALA A 35 4.314 -4.034 -5.389 1.00 0.00 N ATOM 570 CA ALA A 35 5.289 -3.141 -6.004 1.00 0.00 C ATOM 571 C ALA A 35 4.689 -2.407 -7.196 1.00 0.00 C ATOM 572 O ALA A 35 4.934 -1.216 -7.391 1.00 0.00 O ATOM 573 CB ALA A 35 6.526 -3.919 -6.429 1.00 0.00 C ATOM 574 H ALA A 35 4.474 -5.031 -5.416 1.00 0.00 H ATOM 575 HA ALA A 35 5.601 -2.405 -5.261 1.00 0.00 H ATOM 576 1HB ALA A 35 7.245 -3.238 -6.886 1.00 0.00 H ATOM 577 2HB ALA A 35 6.977 -4.391 -5.556 1.00 0.00 H ATOM 578 3HB ALA A 35 6.244 -4.685 -7.149 1.00 0.00 H ATOM 579 N GLU A 36 3.903 -3.124 -7.991 1.00 0.00 N ATOM 580 CA GLU A 36 3.262 -2.540 -9.163 1.00 0.00 C ATOM 581 C GLU A 36 2.273 -1.453 -8.765 1.00 0.00 C ATOM 582 O GLU A 36 2.264 -0.366 -9.344 1.00 0.00 O ATOM 583 CB GLU A 36 2.545 -3.623 -9.974 1.00 0.00 C ATOM 584 CG GLU A 36 3.476 -4.572 -10.715 1.00 0.00 C ATOM 585 CD GLU A 36 2.749 -5.719 -11.360 1.00 0.00 C ATOM 586 OE1 GLU A 36 1.605 -5.930 -11.036 1.00 0.00 O ATOM 587 OE2 GLU A 36 3.338 -6.386 -12.178 1.00 0.00 O ATOM 588 H GLU A 36 3.746 -4.099 -7.779 1.00 0.00 H ATOM 589 HA GLU A 36 4.033 -2.098 -9.796 1.00 0.00 H ATOM 590 1HB GLU A 36 1.918 -4.219 -9.311 1.00 0.00 H ATOM 591 2HB GLU A 36 1.891 -3.154 -10.709 1.00 0.00 H ATOM 592 1HG GLU A 36 4.008 -4.015 -11.486 1.00 0.00 H ATOM 593 2HG GLU A 36 4.212 -4.963 -10.014 1.00 0.00 H ATOM 594 N GLU A 37 1.440 -1.751 -7.774 1.00 0.00 N ATOM 595 CA GLU A 37 0.494 -0.774 -7.247 1.00 0.00 C ATOM 596 C GLU A 37 1.217 0.436 -6.669 1.00 0.00 C ATOM 597 O GLU A 37 0.845 1.579 -6.936 1.00 0.00 O ATOM 598 CB GLU A 37 -0.390 -1.413 -6.174 1.00 0.00 C ATOM 599 CG GLU A 37 -1.424 -0.473 -5.570 1.00 0.00 C ATOM 600 CD GLU A 37 -2.284 -1.138 -4.533 1.00 0.00 C ATOM 601 OE1 GLU A 37 -2.227 -2.339 -4.422 1.00 0.00 O ATOM 602 OE2 GLU A 37 -3.000 -0.444 -3.849 1.00 0.00 O ATOM 603 H GLU A 37 1.463 -2.678 -7.375 1.00 0.00 H ATOM 604 HA GLU A 37 -0.149 -0.441 -8.063 1.00 0.00 H ATOM 605 1HB GLU A 37 -0.921 -2.265 -6.600 1.00 0.00 H ATOM 606 2HB GLU A 37 0.235 -1.788 -5.364 1.00 0.00 H ATOM 607 1HG GLU A 37 -0.909 0.371 -5.112 1.00 0.00 H ATOM 608 2HG GLU A 37 -2.058 -0.086 -6.368 1.00 0.00 H ATOM 609 N ALA A 38 2.252 0.178 -5.877 1.00 0.00 N ATOM 610 CA ALA A 38 3.031 1.246 -5.262 1.00 0.00 C ATOM 611 C ALA A 38 3.564 2.213 -6.311 1.00 0.00 C ATOM 612 O ALA A 38 3.448 3.430 -6.163 1.00 0.00 O ATOM 613 CB ALA A 38 4.177 0.664 -4.448 1.00 0.00 C ATOM 614 H ALA A 38 2.505 -0.783 -5.696 1.00 0.00 H ATOM 615 HA ALA A 38 2.384 1.795 -4.576 1.00 0.00 H ATOM 616 1HB ALA A 38 4.750 1.474 -3.995 1.00 0.00 H ATOM 617 2HB ALA A 38 3.777 0.020 -3.665 1.00 0.00 H ATOM 618 3HB ALA A 38 4.827 0.082 -5.100 1.00 0.00 H ATOM 619 N LEU A 39 4.148 1.666 -7.371 1.00 0.00 N ATOM 620 CA LEU A 39 4.671 2.478 -8.463 1.00 0.00 C ATOM 621 C LEU A 39 3.555 3.234 -9.172 1.00 0.00 C ATOM 622 O LEU A 39 3.678 4.428 -9.447 1.00 0.00 O ATOM 623 CB LEU A 39 5.419 1.595 -9.470 1.00 0.00 C ATOM 624 CG LEU A 39 5.960 2.314 -10.712 1.00 0.00 C ATOM 625 CD1 LEU A 39 6.895 3.437 -10.283 1.00 0.00 C ATOM 626 CD2 LEU A 39 6.680 1.314 -11.605 1.00 0.00 C ATOM 627 H LEU A 39 4.231 0.660 -7.423 1.00 0.00 H ATOM 628 HA LEU A 39 5.375 3.201 -8.049 1.00 0.00 H ATOM 629 1HB LEU A 39 6.263 1.129 -8.963 1.00 0.00 H ATOM 630 2HB LEU A 39 4.745 0.808 -9.809 1.00 0.00 H ATOM 631 HG LEU A 39 5.132 2.762 -11.263 1.00 0.00 H ATOM 632 1HD1 LEU A 39 7.279 3.948 -11.166 1.00 0.00 H ATOM 633 2HD1 LEU A 39 6.349 4.147 -9.662 1.00 0.00 H ATOM 634 3HD1 LEU A 39 7.726 3.020 -9.715 1.00 0.00 H ATOM 635 1HD2 LEU A 39 7.063 1.825 -12.488 1.00 0.00 H ATOM 636 2HD2 LEU A 39 7.508 0.867 -11.055 1.00 0.00 H ATOM 637 3HD2 LEU A 39 5.984 0.533 -11.911 1.00 0.00 H ATOM 638 N LYS A 40 2.466 2.532 -9.465 1.00 0.00 N ATOM 639 CA LYS A 40 1.304 3.148 -10.094 1.00 0.00 C ATOM 640 C LYS A 40 0.835 4.368 -9.311 1.00 0.00 C ATOM 641 O LYS A 40 0.510 5.404 -9.891 1.00 0.00 O ATOM 642 CB LYS A 40 0.164 2.136 -10.223 1.00 0.00 C ATOM 643 CG LYS A 40 -1.087 2.680 -10.899 1.00 0.00 C ATOM 644 CD LYS A 40 -2.153 1.603 -11.038 1.00 0.00 C ATOM 645 CE LYS A 40 -3.420 2.156 -11.673 1.00 0.00 C ATOM 646 NZ LYS A 40 -4.471 1.112 -11.817 1.00 0.00 N ATOM 647 H LYS A 40 2.442 1.546 -9.247 1.00 0.00 H ATOM 648 HA LYS A 40 1.582 3.465 -11.100 1.00 0.00 H ATOM 649 1HB LYS A 40 0.507 1.274 -10.797 1.00 0.00 H ATOM 650 2HB LYS A 40 -0.119 1.779 -9.233 1.00 0.00 H ATOM 651 1HG LYS A 40 -1.490 3.504 -10.309 1.00 0.00 H ATOM 652 2HG LYS A 40 -0.832 3.056 -11.889 1.00 0.00 H ATOM 653 1HD LYS A 40 -1.770 0.790 -11.657 1.00 0.00 H ATOM 654 2HD LYS A 40 -2.396 1.203 -10.054 1.00 0.00 H ATOM 655 1HE LYS A 40 -3.811 2.966 -11.060 1.00 0.00 H ATOM 656 2HE LYS A 40 -3.187 2.556 -12.660 1.00 0.00 H ATOM 657 1HZ LYS A 40 -5.293 1.518 -12.241 1.00 0.00 H ATOM 658 2HZ LYS A 40 -4.126 0.363 -12.400 1.00 0.00 H ATOM 659 3HZ LYS A 40 -4.709 0.746 -10.906 1.00 0.00 H ATOM 660 N ARG A 41 0.801 4.238 -7.989 1.00 0.00 N ATOM 661 CA ARG A 41 0.408 5.341 -7.120 1.00 0.00 C ATOM 662 C ARG A 41 1.475 6.427 -7.092 1.00 0.00 C ATOM 663 O ARG A 41 1.163 7.616 -7.013 1.00 0.00 O ATOM 664 CB ARG A 41 0.156 4.845 -5.705 1.00 0.00 C ATOM 665 CG ARG A 41 -1.078 3.971 -5.543 1.00 0.00 C ATOM 666 CD ARG A 41 -1.256 3.525 -4.137 1.00 0.00 C ATOM 667 NE ARG A 41 -2.381 2.615 -3.995 1.00 0.00 N ATOM 668 CZ ARG A 41 -3.664 3.001 -3.857 1.00 0.00 C ATOM 669 NH1 ARG A 41 -3.969 4.280 -3.844 1.00 0.00 N ATOM 670 NH2 ARG A 41 -4.617 2.094 -3.734 1.00 0.00 N ATOM 671 H ARG A 41 1.055 3.352 -7.575 1.00 0.00 H ATOM 672 HA ARG A 41 -0.518 5.771 -7.505 1.00 0.00 H ATOM 673 1HB ARG A 41 1.014 4.268 -5.363 1.00 0.00 H ATOM 674 2HB ARG A 41 0.046 5.697 -5.034 1.00 0.00 H ATOM 675 1HG ARG A 41 -1.964 4.534 -5.839 1.00 0.00 H ATOM 676 2HG ARG A 41 -0.983 3.086 -6.174 1.00 0.00 H ATOM 677 1HD ARG A 41 -0.356 3.010 -3.803 1.00 0.00 H ATOM 678 2HD ARG A 41 -1.436 4.391 -3.502 1.00 0.00 H ATOM 679 HE ARG A 41 -2.186 1.623 -4.000 1.00 0.00 H ATOM 680 1HH1 ARG A 41 -3.240 4.973 -3.938 1.00 0.00 H ATOM 681 2HH1 ARG A 41 -4.930 4.569 -3.740 1.00 0.00 H ATOM 682 1HH2 ARG A 41 -4.383 1.110 -3.743 1.00 0.00 H ATOM 683 2HH2 ARG A 41 -5.579 2.382 -3.630 1.00 0.00 H ATOM 684 N ALA A 42 2.736 6.013 -7.157 1.00 0.00 N ATOM 685 CA ALA A 42 3.851 6.952 -7.180 1.00 0.00 C ATOM 686 C ALA A 42 3.830 7.801 -8.444 1.00 0.00 C ATOM 687 O ALA A 42 4.139 8.992 -8.408 1.00 0.00 O ATOM 688 CB ALA A 42 5.173 6.207 -7.064 1.00 0.00 C ATOM 689 H ALA A 42 2.927 5.022 -7.191 1.00 0.00 H ATOM 690 HA ALA A 42 3.766 7.611 -6.314 1.00 0.00 H ATOM 691 1HB ALA A 42 5.996 6.922 -7.083 1.00 0.00 H ATOM 692 2HB ALA A 42 5.197 5.651 -6.127 1.00 0.00 H ATOM 693 3HB ALA A 42 5.275 5.516 -7.899 1.00 0.00 H ATOM 694 N LEU A 43 3.464 7.182 -9.561 1.00 0.00 N ATOM 695 CA LEU A 43 3.414 7.877 -10.841 1.00 0.00 C ATOM 696 C LEU A 43 2.204 8.798 -10.921 1.00 0.00 C ATOM 697 O LEU A 43 1.168 8.532 -10.313 1.00 0.00 O ATOM 698 OXT LEU A 43 2.254 9.798 -11.582 1.00 0.00 O ATOM 699 CB LEU A 43 3.370 6.864 -11.993 1.00 0.00 C ATOM 700 CG LEU A 43 4.625 5.999 -12.166 1.00 0.00 C ATOM 701 CD1 LEU A 43 4.357 4.917 -13.203 1.00 0.00 C ATOM 702 CD2 LEU A 43 5.794 6.879 -12.584 1.00 0.00 C ATOM 703 H LEU A 43 3.215 6.204 -9.522 1.00 0.00 H ATOM 704 HA LEU A 43 4.314 8.483 -10.941 1.00 0.00 H ATOM 705 1HB LEU A 43 2.526 6.195 -11.835 1.00 0.00 H ATOM 706 2HB LEU A 43 3.209 7.405 -12.925 1.00 0.00 H ATOM 707 HG LEU A 43 4.861 5.506 -11.223 1.00 0.00 H ATOM 708 1HD1 LEU A 43 5.249 4.302 -13.326 1.00 0.00 H ATOM 709 2HD1 LEU A 43 3.529 4.291 -12.870 1.00 0.00 H ATOM 710 3HD1 LEU A 43 4.102 5.381 -14.155 1.00 0.00 H ATOM 711 1HD2 LEU A 43 6.687 6.264 -12.707 1.00 0.00 H ATOM 712 2HD2 LEU A 43 5.560 7.371 -13.528 1.00 0.00 H ATOM 713 3HD2 LEU A 43 5.975 7.632 -11.817 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE nods_bigger.blueprint.44_try30_pass_20150323174554_0001_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 rama omega fa_dun p_aa_pp ref total weights 0.8 0.44 0.75 0.004 0.7 1 1.17 1.17 1.17 1.1 1 0.2 0.5 0.56 0.32 1 NA pose -175.643 16.3085 99.9428 0.29223 -21.9844 0.14429 -23.803 -0.84021 -1.6934 -8.64519 0 -5.08287 2.12816 46.3545 -5.1375 -13.0611 -90.7198 PRO:NtermProteinFull_1 -3.05346 0.1519 1.82474 0.00688 -0.15791 0.11035 0 0 0 0 0 0 0.09231 0.0576 0 -0.21929 -1.18689 ASP_2 -2.27235 0.15012 1.8772 0.00329 -0.00599 0 0 0 0 0 0 -0.14867 0.03068 1.33415 0.01846 -1.28682 -0.29993 ASP_3 -2.11577 0.14863 1.36498 0.00333 -0.0457 0 0 0 0 0 0 -0.11767 0.02374 1.29155 0.05165 -1.28682 -0.68208 LEU_4 -5.2224 0.72466 1.30609 0.00713 0.01087 0 0 0 0 0 0 -0.12954 0.07336 0.20009 -0.12628 0.60233 -2.5537 GLU_5 -6.32074 0.48376 4.18114 0.00847 -1.0973 0 0 0 0 -0.65544 0 -0.09953 0.0004 2.47415 -0.10943 -1.55374 -2.68828 LYS_6 -3.2675 0.17482 1.87946 0.0031 -0.3298 0 0 0 0 0 0 -0.18535 0.04277 0.82131 -0.05023 -0.28737 -1.19879 ARG_7 -5.10749 0.4872 3.54995 0.01188 -1.19228 0 0 0 0 -0.82095 0 -0.19123 0.0424 2.07272 -0.08657 -0.14916 -1.38353 ALA_8 -4.69345 0.35195 1.90086 0.00074 -0.28703 0 0 0 0 0 0 -0.17481 0.02312 0 -0.18697 0.59294 -2.47265 ARG_9 -6.05508 0.46916 3.94092 0.00952 -1.19649 0 0 0 0 -0.65544 0 -0.19095 0.23361 1.63588 -0.08592 -0.14916 -2.04396 GLU_10 -5.01915 0.49454 3.74275 0.00794 -1.66245 0 0 0 0 -0.57973 0 -0.11254 0.01582 2.22556 -0.10676 -1.55374 -2.54774 LEU_11 -6.11217 0.57136 2.08854 0.0064 -0.30814 0 0 0 0 0 0 -0.11771 0.18823 0.19854 -0.11984 0.60233 -3.00246 LEU_12 -4.40187 0.6019 1.65726 0.00635 -0.14739 0 0 0 0 0 0 -0.10185 0.05337 0.37047 -0.1222 0.60233 -1.48163 LYS_13 -2.37439 0.40061 1.34095 0.00315 -0.03305 0 0 0 0 0 0 -0.27575 0.01646 0.70148 -0.03941 -0.28737 -0.54731 ARG_14 -3.55709 0.37188 2.1671 0.01 -0.70323 0 0 0 0 -0.35266 0 -0.20083 0.12062 1.30279 0.00516 -0.14916 -0.98542 GLY_15 -1.42133 0.30726 0.94405 2e-05 0.08256 0 0 0 0 0 0 -0.24435 0.02413 0 -0.73709 0.14053 -0.90422 LYS_16 -3.46564 0.1544 1.6458 0.00577 -0.19318 0 0 0 0 0 0 -0.14575 0.01238 1.0433 -0.07117 -0.28737 -1.30147 ASN_17 -3.56079 0.47102 2.39225 0.00302 -0.56858 0.00013 0 0 -0.26763 0 0 -0.08422 0.00478 1.30354 0.0857 -0.94198 -1.16276 PRO_18 -2.62237 0.35178 1.22886 0.00092 -0.21348 0.03382 0 0 0 0 0 0.05082 0.00129 0.06847 -0.2537 -0.21929 -1.57289 ASP_19 -3.37909 0.41817 2.56555 0.00324 -0.81597 0 0 0 0 -0.37008 0 -0.1359 0.0159 1.40484 0.03198 -1.28682 -1.54818 GLU_20 -4.16229 0.25689 2.87165 0.00446 -0.59852 0 0 0 -0.26763 0 0 -0.23618 0.00095 2.20411 -0.11886 -1.55374 -1.59916 ILE_21 -6.02845 0.62554 1.63483 0.01971 -0.24094 0 0 0 0 0 0 -0.01061 0.00016 0.07449 -0.15375 0.8318 -3.2472 ARG_22 -6.27913 0.36722 4.48431 0.02141 -1.85875 0 0 0 0 -1.06804 0 0.0102 0.11841 2.5616 -0.07545 -0.14916 -1.86739 GLU_23 -5.10275 0.25543 4.27627 0.00615 -2.00889 0 0 0 0 -1.05894 0 -0.24568 0.0747 2.44873 -0.16569 -1.55374 -3.07441 TYR_24 -4.67721 0.40285 2.49537 0.02769 -0.45803 0 0 0 0 -0.59388 0 0.06432 0.05408 1.28058 -0.14241 0.1317 -1.41494 LEU_25 -5.64879 0.52461 1.63797 0.0076 -0.1625 0 0 0 0 0 0 -0.13946 0.25143 0.18526 -0.11591 0.60233 -2.85746 ARG_26 -5.8624 0.59676 4.29345 0.01536 -1.44899 0 0 0 0 -0.36098 0 -0.07405 0.01505 1.43315 -0.03106 -0.14916 -1.57286 ASN_27 -3.22466 0.50866 2.49456 0.00373 -0.21637 0 0 0 0 0 0 -0.09988 0.04055 1.11829 0.04048 -0.94198 -0.27661 ALA_28 -2.20777 0.41562 0.97433 0.00086 -0.02991 0 0 0 0 0 0 -0.25271 0.03253 0 -0.09524 0.59294 -0.56935 GLY_29 -1.69565 0.56241 0.93573 4e-05 0.00861 0 0 0 0 0 0 0.39184 0.05933 0 -1.08967 0.14053 -0.68682 TYR_30 -4.47224 0.48349 1.78123 0.02424 -0.04119 0 0 0 0 0 0 -0.11246 0.00017 1.4847 -0.20681 0.1317 -0.92717 ASP_31 -3.65941 0.31387 2.71044 0.00282 -1.11751 0 0 0 -0.57907 -0.22227 0 -0.20557 0.0243 2.55884 0.03465 -1.28682 -1.42573 GLN_32 -3.79047 0.30645 2.62806 0.00654 -0.37634 0 0 0 0 -0.25782 0 -0.01632 0.08015 2.40302 -0.03957 -1.17797 -0.23427 SER_33 -3.05758 0.20393 2.35607 0.00156 -1.00718 0 0 0 -0.22185 -0.22227 0 -0.25537 0.14949 0.21358 -0.02498 0.17658 -1.68801 GLN_34 -4.44724 0.30556 2.57573 0.00325 -0.63324 0 0 0 -0.35722 0 0 -0.14924 0.07317 1.97535 -0.1154 -1.17797 -1.94725 ALA_35 -3.97191 0.23692 1.67865 0.00073 -0.17994 0 0 0 0 0 0 -0.16852 0.00033 0 -0.16432 0.59294 -1.97513 GLU_36 -4.5097 0.30954 3.05824 0.00461 -0.77273 0 0 0 0 -0.25782 0 -0.16724 0.05906 2.25015 -0.10798 -1.55374 -1.6876 GLU_37 -4.5099 0.30694 3.10866 0.00717 -1.17134 0 0 0 0 -0.58444 0 -0.16773 9e-05 2.26884 -0.10496 -1.55374 -2.4004 ALA_38 -4.65144 0.49656 1.99839 0.00073 -0.29326 0 0 0 0 0 0 -0.05261 0.01176 0 -0.12633 0.59294 -2.02327 LEU_39 -5.17562 0.57348 1.67331 0.00998 -0.17462 0 0 0 0 0 0 -0.07539 0.03193 0.52292 -0.11196 0.60233 -2.12365 LYS_40 -2.89531 0.19802 1.71264 0.0055 0.06467 0 0 0 0 0 0 -0.10469 0.0157 0.8131 -0.04091 -0.28737 -0.51866 ARG_41 -4.58441 0.30759 3.45333 0.00957 -0.91338 0 0 0 0 -0.58444 0 -0.20655 0.01782 1.54653 -0.10593 -0.14916 -1.20901 ALA_42 -4.15752 0.27423 2.11637 0.00074 0.1926 0 0 0 0 0 0 -0.20311 0.00166 0 -0.17281 0.59294 -1.35491 LEU:CtermProteinFull_43 -2.84858 0.19081 1.39478 0.00658 0.31787 0 0 0 0 0 0 0 0 0.50475 0 0.60233 0.16854 #END_POSE_ENERGIES_TABLE nods_bigger.blueprint.44_try30_pass_20150323174554_0001_0001.pdb AlaCount 5 bb -0.0195352 buried_minus_exposed 3746.09 buried_np 5197.55 buried_over_exposed 3.5809 cavity_volume 10.2793 contact_all 256 contact_core_SASA 256 contact_core_SCN 256 degree 10.4419 degree_core_SASA 10.4419 degree_core_SCN 10.4419 exposed_hydrophobics 1451.45 holes 0.319325 mismatch_probability 0.114394 one_core_each 1 pack 0.630275 percent_core_SASA 0.116252 percent_core_SCN 0.139502 res_count_core_SASA 5 res_count_core_SCN 6 ss_sc 0.787591 two_core_each 0.666667 unsat_hbond 5
HHH_rd1_0210.pdb
ATOM 1 N GLN A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA GLN A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C GLN A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O GLN A 1 1.325 2.362 -0.401 1.00 0.00 O ATOM 5 CB GLN A 1 1.994 -0.768 -1.211 1.00 0.00 C ATOM 6 CG GLN A 1 1.517 -2.208 -1.296 1.00 0.00 C ATOM 7 CD GLN A 1 1.967 -3.038 -0.109 1.00 0.00 C ATOM 8 OE1 GLN A 1 3.161 -3.297 0.068 1.00 0.00 O ATOM 9 NE2 GLN A 1 1.013 -3.461 0.713 1.00 0.00 N ATOM 10 1H GLN A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 11 2H GLN A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 12 3H GLN A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 13 HA GLN A 1 1.820 -0.555 0.878 1.00 0.00 H ATOM 14 1HB GLN A 1 1.693 -0.260 -2.127 1.00 0.00 H ATOM 15 2HB GLN A 1 3.084 -0.776 -1.184 1.00 0.00 H ATOM 16 1HG GLN A 1 0.427 -2.218 -1.326 1.00 0.00 H ATOM 17 2HG GLN A 1 1.919 -2.661 -2.202 1.00 0.00 H ATOM 18 1HE2 GLN A 1 1.250 -4.013 1.514 1.00 0.00 H ATOM 19 2HE2 GLN A 1 0.058 -3.228 0.532 1.00 0.00 H ATOM 20 N ASP A 2 3.249 1.568 0.452 1.00 0.00 N ATOM 21 CA ASP A 2 3.869 2.882 0.573 1.00 0.00 C ATOM 22 C ASP A 2 4.101 3.510 -0.795 1.00 0.00 C ATOM 23 O ASP A 2 3.927 4.716 -0.973 1.00 0.00 O ATOM 24 CB ASP A 2 5.198 2.782 1.326 1.00 0.00 C ATOM 25 CG ASP A 2 5.018 2.457 2.803 1.00 0.00 C ATOM 26 OD1 ASP A 2 3.911 2.542 3.280 1.00 0.00 O ATOM 27 OD2 ASP A 2 5.990 2.127 3.440 1.00 0.00 O ATOM 28 H ASP A 2 3.777 0.749 0.719 1.00 0.00 H ATOM 29 HA ASP A 2 3.202 3.528 1.146 1.00 0.00 H ATOM 30 1HB ASP A 2 5.816 2.008 0.872 1.00 0.00 H ATOM 31 2HB ASP A 2 5.738 3.725 1.240 1.00 0.00 H ATOM 32 N GLU A 3 4.494 2.686 -1.760 1.00 0.00 N ATOM 33 CA GLU A 3 4.776 3.163 -3.109 1.00 0.00 C ATOM 34 C GLU A 3 3.503 3.626 -3.806 1.00 0.00 C ATOM 35 O GLU A 3 3.528 4.561 -4.607 1.00 0.00 O ATOM 36 CB GLU A 3 5.451 2.065 -3.933 1.00 0.00 C ATOM 37 CG GLU A 3 6.849 1.693 -3.461 1.00 0.00 C ATOM 38 CD GLU A 3 7.802 2.856 -3.484 1.00 0.00 C ATOM 39 OE1 GLU A 3 7.870 3.524 -4.487 1.00 0.00 O ATOM 40 OE2 GLU A 3 8.464 3.075 -2.497 1.00 0.00 O ATOM 41 H GLU A 3 4.600 1.703 -1.554 1.00 0.00 H ATOM 42 HA GLU A 3 5.464 4.007 -3.040 1.00 0.00 H ATOM 43 1HB GLU A 3 4.839 1.163 -3.908 1.00 0.00 H ATOM 44 2HB GLU A 3 5.522 2.383 -4.973 1.00 0.00 H ATOM 45 1HG GLU A 3 6.788 1.309 -2.443 1.00 0.00 H ATOM 46 2HG GLU A 3 7.237 0.899 -4.097 1.00 0.00 H ATOM 47 N ILE A 4 2.392 2.966 -3.498 1.00 0.00 N ATOM 48 CA ILE A 4 1.089 3.383 -4.002 1.00 0.00 C ATOM 49 C ILE A 4 0.688 4.740 -3.439 1.00 0.00 C ATOM 50 O ILE A 4 0.187 5.600 -4.163 1.00 0.00 O ATOM 51 CB ILE A 4 0.008 2.343 -3.655 1.00 0.00 C ATOM 52 CG1 ILE A 4 0.268 1.033 -4.404 1.00 0.00 C ATOM 53 CG2 ILE A 4 -1.375 2.883 -3.985 1.00 0.00 C ATOM 54 CD1 ILE A 4 -0.569 -0.127 -3.913 1.00 0.00 C ATOM 55 H ILE A 4 2.451 2.156 -2.898 1.00 0.00 H ATOM 56 HA ILE A 4 1.146 3.458 -5.089 1.00 0.00 H ATOM 57 HB ILE A 4 0.053 2.112 -2.591 1.00 0.00 H ATOM 58 1HG1 ILE A 4 0.066 1.174 -5.465 1.00 0.00 H ATOM 59 2HG1 ILE A 4 1.318 0.759 -4.305 1.00 0.00 H ATOM 60 1HG2 ILE A 4 -2.127 2.135 -3.735 1.00 0.00 H ATOM 61 2HG2 ILE A 4 -1.559 3.789 -3.409 1.00 0.00 H ATOM 62 3HG2 ILE A 4 -1.432 3.112 -5.050 1.00 0.00 H ATOM 63 1HD1 ILE A 4 -0.328 -1.020 -4.491 1.00 0.00 H ATOM 64 2HD1 ILE A 4 -0.357 -0.309 -2.859 1.00 0.00 H ATOM 65 3HD1 ILE A 4 -1.625 0.109 -4.035 1.00 0.00 H ATOM 66 N ALA A 5 0.912 4.926 -2.142 1.00 0.00 N ATOM 67 CA ALA A 5 0.662 6.211 -1.499 1.00 0.00 C ATOM 68 C ALA A 5 1.490 7.318 -2.139 1.00 0.00 C ATOM 69 O ALA A 5 1.016 8.442 -2.306 1.00 0.00 O ATOM 70 CB ALA A 5 0.960 6.123 -0.009 1.00 0.00 C ATOM 71 H ALA A 5 1.264 4.159 -1.588 1.00 0.00 H ATOM 72 HA ALA A 5 -0.395 6.454 -1.611 1.00 0.00 H ATOM 73 1HB ALA A 5 0.769 7.090 0.458 1.00 0.00 H ATOM 74 2HB ALA A 5 0.319 5.368 0.446 1.00 0.00 H ATOM 75 3HB ALA A 5 2.003 5.850 0.138 1.00 0.00 H ATOM 76 N LYS A 6 2.727 6.993 -2.497 1.00 0.00 N ATOM 77 CA LYS A 6 3.593 7.933 -3.199 1.00 0.00 C ATOM 78 C LYS A 6 2.991 8.343 -4.537 1.00 0.00 C ATOM 79 O LYS A 6 3.015 9.517 -4.906 1.00 0.00 O ATOM 80 CB LYS A 6 4.981 7.326 -3.412 1.00 0.00 C ATOM 81 CG LYS A 6 5.807 7.185 -2.140 1.00 0.00 C ATOM 82 CD LYS A 6 7.146 6.519 -2.421 1.00 0.00 C ATOM 83 CE LYS A 6 7.930 6.287 -1.139 1.00 0.00 C ATOM 84 NZ LYS A 6 9.215 5.580 -1.392 1.00 0.00 N ATOM 85 H LYS A 6 3.077 6.072 -2.277 1.00 0.00 H ATOM 86 HA LYS A 6 3.711 8.823 -2.581 1.00 0.00 H ATOM 87 1HB LYS A 6 4.882 6.337 -3.858 1.00 0.00 H ATOM 88 2HB LYS A 6 5.546 7.945 -4.110 1.00 0.00 H ATOM 89 1HG LYS A 6 5.985 8.171 -1.709 1.00 0.00 H ATOM 90 2HG LYS A 6 5.258 6.585 -1.415 1.00 0.00 H ATOM 91 1HD LYS A 6 6.979 5.560 -2.914 1.00 0.00 H ATOM 92 2HD LYS A 6 7.734 7.152 -3.086 1.00 0.00 H ATOM 93 1HE LYS A 6 8.144 7.244 -0.665 1.00 0.00 H ATOM 94 2HE LYS A 6 7.332 5.692 -0.449 1.00 0.00 H ATOM 95 1HZ LYS A 6 9.703 5.445 -0.518 1.00 0.00 H ATOM 96 2HZ LYS A 6 9.027 4.681 -1.814 1.00 0.00 H ATOM 97 3HZ LYS A 6 9.786 6.131 -2.015 1.00 0.00 H ATOM 98 N ILE A 7 2.450 7.369 -5.260 1.00 0.00 N ATOM 99 CA ILE A 7 1.784 7.636 -6.529 1.00 0.00 C ATOM 100 C ILE A 7 0.576 8.545 -6.337 1.00 0.00 C ATOM 101 O ILE A 7 0.383 9.503 -7.085 1.00 0.00 O ATOM 102 CB ILE A 7 1.338 6.325 -7.202 1.00 0.00 C ATOM 103 CG1 ILE A 7 2.556 5.513 -7.649 1.00 0.00 C ATOM 104 CG2 ILE A 7 0.427 6.617 -8.385 1.00 0.00 C ATOM 105 CD1 ILE A 7 2.231 4.090 -8.042 1.00 0.00 C ATOM 106 H ILE A 7 2.502 6.418 -4.923 1.00 0.00 H ATOM 107 HA ILE A 7 2.492 8.132 -7.195 1.00 0.00 H ATOM 108 HB ILE A 7 0.797 5.712 -6.482 1.00 0.00 H ATOM 109 1HG1 ILE A 7 3.028 6.003 -8.500 1.00 0.00 H ATOM 110 2HG1 ILE A 7 3.289 5.483 -6.842 1.00 0.00 H ATOM 111 1HG2 ILE A 7 0.122 5.680 -8.849 1.00 0.00 H ATOM 112 2HG2 ILE A 7 -0.455 7.155 -8.040 1.00 0.00 H ATOM 113 3HG2 ILE A 7 0.961 7.227 -9.114 1.00 0.00 H ATOM 114 1HD1 ILE A 7 3.144 3.578 -8.345 1.00 0.00 H ATOM 115 2HD1 ILE A 7 1.789 3.569 -7.192 1.00 0.00 H ATOM 116 3HD1 ILE A 7 1.525 4.094 -8.872 1.00 0.00 H ATOM 117 N ILE A 8 -0.234 8.239 -5.329 1.00 0.00 N ATOM 118 CA ILE A 8 -1.418 9.035 -5.029 1.00 0.00 C ATOM 119 C ILE A 8 -1.047 10.480 -4.721 1.00 0.00 C ATOM 120 O ILE A 8 -1.648 11.413 -5.254 1.00 0.00 O ATOM 121 CB ILE A 8 -2.194 8.439 -3.841 1.00 0.00 C ATOM 122 CG1 ILE A 8 -2.805 7.089 -4.225 1.00 0.00 C ATOM 123 CG2 ILE A 8 -3.274 9.402 -3.374 1.00 0.00 C ATOM 124 CD1 ILE A 8 -3.318 6.293 -3.047 1.00 0.00 C ATOM 125 H ILE A 8 -0.024 7.434 -4.757 1.00 0.00 H ATOM 126 HA ILE A 8 -2.074 9.021 -5.900 1.00 0.00 H ATOM 127 HB ILE A 8 -1.507 8.250 -3.016 1.00 0.00 H ATOM 128 1HG1 ILE A 8 -3.632 7.248 -4.916 1.00 0.00 H ATOM 129 2HG1 ILE A 8 -2.059 6.486 -4.744 1.00 0.00 H ATOM 130 1HG2 ILE A 8 -3.813 8.965 -2.534 1.00 0.00 H ATOM 131 2HG2 ILE A 8 -2.815 10.339 -3.062 1.00 0.00 H ATOM 132 3HG2 ILE A 8 -3.970 9.593 -4.191 1.00 0.00 H ATOM 133 1HD1 ILE A 8 -3.736 5.350 -3.399 1.00 0.00 H ATOM 134 2HD1 ILE A 8 -2.497 6.092 -2.358 1.00 0.00 H ATOM 135 3HD1 ILE A 8 -4.092 6.862 -2.533 1.00 0.00 H ATOM 136 N GLU A 9 -0.053 10.659 -3.857 1.00 0.00 N ATOM 137 CA GLU A 9 0.415 11.991 -3.493 1.00 0.00 C ATOM 138 C GLU A 9 0.945 12.740 -4.709 1.00 0.00 C ATOM 139 O GLU A 9 0.624 13.909 -4.918 1.00 0.00 O ATOM 140 CB GLU A 9 1.505 11.899 -2.423 1.00 0.00 C ATOM 141 CG GLU A 9 2.104 13.239 -2.019 1.00 0.00 C ATOM 142 CD GLU A 9 1.121 14.131 -1.315 1.00 0.00 C ATOM 143 OE1 GLU A 9 0.154 13.625 -0.797 1.00 0.00 O ATOM 144 OE2 GLU A 9 1.336 15.320 -1.294 1.00 0.00 O ATOM 145 H GLU A 9 0.389 9.851 -3.442 1.00 0.00 H ATOM 146 HA GLU A 9 -0.423 12.550 -3.076 1.00 0.00 H ATOM 147 1HB GLU A 9 1.097 11.431 -1.527 1.00 0.00 H ATOM 148 2HB GLU A 9 2.316 11.265 -2.783 1.00 0.00 H ATOM 149 1HG GLU A 9 2.954 13.061 -1.360 1.00 0.00 H ATOM 150 2HG GLU A 9 2.472 13.744 -2.911 1.00 0.00 H ATOM 151 N GLU A 10 1.759 12.058 -5.509 1.00 0.00 N ATOM 152 CA GLU A 10 2.319 12.652 -6.717 1.00 0.00 C ATOM 153 C GLU A 10 1.222 13.182 -7.630 1.00 0.00 C ATOM 154 O GLU A 10 1.282 14.321 -8.093 1.00 0.00 O ATOM 155 CB GLU A 10 3.171 11.627 -7.469 1.00 0.00 C ATOM 156 CG GLU A 10 3.768 12.140 -8.772 1.00 0.00 C ATOM 157 CD GLU A 10 4.571 11.097 -9.499 1.00 0.00 C ATOM 158 OE1 GLU A 10 4.946 10.128 -8.883 1.00 0.00 O ATOM 159 OE2 GLU A 10 4.808 11.269 -10.671 1.00 0.00 O ATOM 160 H GLU A 10 1.995 11.105 -5.274 1.00 0.00 H ATOM 161 HA GLU A 10 2.965 13.482 -6.428 1.00 0.00 H ATOM 162 1HB GLU A 10 3.992 11.297 -6.832 1.00 0.00 H ATOM 163 2HB GLU A 10 2.565 10.751 -7.701 1.00 0.00 H ATOM 164 1HG GLU A 10 2.961 12.478 -9.421 1.00 0.00 H ATOM 165 2HG GLU A 10 4.405 12.996 -8.555 1.00 0.00 H ATOM 166 N LEU A 11 0.218 12.350 -7.886 1.00 0.00 N ATOM 167 CA LEU A 11 -0.860 12.707 -8.801 1.00 0.00 C ATOM 168 C LEU A 11 -1.641 13.911 -8.288 1.00 0.00 C ATOM 169 O LEU A 11 -2.046 14.776 -9.064 1.00 0.00 O ATOM 170 CB LEU A 11 -1.809 11.518 -8.993 1.00 0.00 C ATOM 171 CG LEU A 11 -1.235 10.329 -9.774 1.00 0.00 C ATOM 172 CD1 LEU A 11 -2.225 9.172 -9.737 1.00 0.00 C ATOM 173 CD2 LEU A 11 -0.944 10.754 -11.205 1.00 0.00 C ATOM 174 H LEU A 11 0.202 11.446 -7.436 1.00 0.00 H ATOM 175 HA LEU A 11 -0.423 12.960 -9.768 1.00 0.00 H ATOM 176 1HB LEU A 11 -2.112 11.155 -8.012 1.00 0.00 H ATOM 177 2HB LEU A 11 -2.697 11.864 -9.520 1.00 0.00 H ATOM 178 HG LEU A 11 -0.312 9.993 -9.300 1.00 0.00 H ATOM 179 1HD1 LEU A 11 -1.817 8.327 -10.292 1.00 0.00 H ATOM 180 2HD1 LEU A 11 -2.400 8.875 -8.703 1.00 0.00 H ATOM 181 3HD1 LEU A 11 -3.165 9.483 -10.190 1.00 0.00 H ATOM 182 1HD2 LEU A 11 -0.536 9.909 -11.760 1.00 0.00 H ATOM 183 2HD2 LEU A 11 -1.867 11.088 -11.680 1.00 0.00 H ATOM 184 3HD2 LEU A 11 -0.221 11.570 -11.203 1.00 0.00 H ATOM 185 N ARG A 12 -1.848 13.960 -6.977 1.00 0.00 N ATOM 186 CA ARG A 12 -2.541 15.080 -6.352 1.00 0.00 C ATOM 187 C ARG A 12 -1.725 16.362 -6.461 1.00 0.00 C ATOM 188 O ARG A 12 -2.279 17.452 -6.605 1.00 0.00 O ATOM 189 CB ARG A 12 -2.823 14.786 -4.886 1.00 0.00 C ATOM 190 CG ARG A 12 -3.900 13.741 -4.640 1.00 0.00 C ATOM 191 CD ARG A 12 -4.221 13.614 -3.195 1.00 0.00 C ATOM 192 NE ARG A 12 -5.186 12.556 -2.945 1.00 0.00 N ATOM 193 CZ ARG A 12 -6.508 12.652 -3.189 1.00 0.00 C ATOM 194 NH1 ARG A 12 -7.005 13.762 -3.687 1.00 0.00 N ATOM 195 NH2 ARG A 12 -7.305 11.631 -2.927 1.00 0.00 N ATOM 196 H ARG A 12 -1.518 13.201 -6.398 1.00 0.00 H ATOM 197 HA ARG A 12 -3.493 15.227 -6.864 1.00 0.00 H ATOM 198 1HB ARG A 12 -1.911 14.439 -4.403 1.00 0.00 H ATOM 199 2HB ARG A 12 -3.132 15.702 -4.384 1.00 0.00 H ATOM 200 1HG ARG A 12 -4.809 14.023 -5.170 1.00 0.00 H ATOM 201 2HG ARG A 12 -3.555 12.771 -5.001 1.00 0.00 H ATOM 202 1HD ARG A 12 -3.313 13.385 -2.639 1.00 0.00 H ATOM 203 2HD ARG A 12 -4.642 14.551 -2.833 1.00 0.00 H ATOM 204 HE ARG A 12 -4.841 11.686 -2.562 1.00 0.00 H ATOM 205 1HH1 ARG A 12 -6.396 14.543 -3.888 1.00 0.00 H ATOM 206 2HH1 ARG A 12 -7.996 13.835 -3.870 1.00 0.00 H ATOM 207 1HH2 ARG A 12 -6.922 10.777 -2.543 1.00 0.00 H ATOM 208 2HH2 ARG A 12 -8.294 11.703 -3.109 1.00 0.00 H ATOM 209 N ARG A 13 -0.405 16.225 -6.393 1.00 0.00 N ATOM 210 CA ARG A 13 0.494 17.358 -6.578 1.00 0.00 C ATOM 211 C ARG A 13 0.517 17.811 -8.032 1.00 0.00 C ATOM 212 O ARG A 13 0.661 19.000 -8.319 1.00 0.00 O ATOM 213 CB ARG A 13 1.906 16.999 -6.139 1.00 0.00 C ATOM 214 CG ARG A 13 2.085 16.825 -4.639 1.00 0.00 C ATOM 215 CD ARG A 13 3.485 16.471 -4.291 1.00 0.00 C ATOM 216 NE ARG A 13 3.646 16.237 -2.865 1.00 0.00 N ATOM 217 CZ ARG A 13 4.832 16.090 -2.243 1.00 0.00 C ATOM 218 NH1 ARG A 13 5.949 16.155 -2.934 1.00 0.00 N ATOM 219 NH2 ARG A 13 4.873 15.880 -0.939 1.00 0.00 N ATOM 220 H ARG A 13 -0.014 15.312 -6.208 1.00 0.00 H ATOM 221 HA ARG A 13 0.140 18.184 -5.959 1.00 0.00 H ATOM 222 1HB ARG A 13 2.209 16.068 -6.617 1.00 0.00 H ATOM 223 2HB ARG A 13 2.597 17.775 -6.467 1.00 0.00 H ATOM 224 1HG ARG A 13 1.831 17.757 -4.133 1.00 0.00 H ATOM 225 2HG ARG A 13 1.431 16.028 -4.284 1.00 0.00 H ATOM 226 1HD ARG A 13 3.773 15.563 -4.820 1.00 0.00 H ATOM 227 2HD ARG A 13 4.149 17.285 -4.580 1.00 0.00 H ATOM 228 HE ARG A 13 2.809 16.180 -2.300 1.00 0.00 H ATOM 229 1HH1 ARG A 13 5.918 16.316 -3.931 1.00 0.00 H ATOM 230 2HH1 ARG A 13 6.838 16.045 -2.468 1.00 0.00 H ATOM 231 1HH2 ARG A 13 4.014 15.829 -0.408 1.00 0.00 H ATOM 232 2HH2 ARG A 13 5.761 15.770 -0.473 1.00 0.00 H ATOM 233 N ARG A 14 0.374 16.858 -8.946 1.00 0.00 N ATOM 234 CA ARG A 14 0.282 17.167 -10.368 1.00 0.00 C ATOM 235 C ARG A 14 -1.016 17.897 -10.690 1.00 0.00 C ATOM 236 O ARG A 14 -1.049 18.769 -11.559 1.00 0.00 O ATOM 237 CB ARG A 14 0.364 15.895 -11.199 1.00 0.00 C ATOM 238 CG ARG A 14 1.742 15.254 -11.251 1.00 0.00 C ATOM 239 CD ARG A 14 1.745 14.027 -12.089 1.00 0.00 C ATOM 240 NE ARG A 14 3.049 13.385 -12.107 1.00 0.00 N ATOM 241 CZ ARG A 14 4.060 13.729 -12.929 1.00 0.00 C ATOM 242 NH1 ARG A 14 3.900 14.707 -13.794 1.00 0.00 N ATOM 243 NH2 ARG A 14 5.211 13.082 -12.868 1.00 0.00 N ATOM 244 H ARG A 14 0.327 15.894 -8.648 1.00 0.00 H ATOM 245 HA ARG A 14 1.110 17.825 -10.633 1.00 0.00 H ATOM 246 1HB ARG A 14 -0.329 15.155 -10.800 1.00 0.00 H ATOM 247 2HB ARG A 14 0.061 16.109 -12.223 1.00 0.00 H ATOM 248 1HG ARG A 14 2.456 15.960 -11.675 1.00 0.00 H ATOM 249 2HG ARG A 14 2.055 14.981 -10.243 1.00 0.00 H ATOM 250 1HD ARG A 14 1.020 13.315 -11.695 1.00 0.00 H ATOM 251 2HD ARG A 14 1.478 14.286 -13.113 1.00 0.00 H ATOM 252 HE ARG A 14 3.210 12.628 -11.456 1.00 0.00 H ATOM 253 1HH1 ARG A 14 3.021 15.201 -13.841 1.00 0.00 H ATOM 254 2HH1 ARG A 14 4.658 14.964 -14.410 1.00 0.00 H ATOM 255 1HH2 ARG A 14 5.333 12.330 -12.203 1.00 0.00 H ATOM 256 2HH2 ARG A 14 5.968 13.340 -13.484 1.00 0.00 H ATOM 257 N GLY A 15 -2.083 17.537 -9.985 1.00 0.00 N ATOM 258 CA GLY A 15 -3.354 18.240 -10.105 1.00 0.00 C ATOM 259 C GLY A 15 -4.465 17.298 -10.549 1.00 0.00 C ATOM 260 O GLY A 15 -5.370 17.693 -11.285 1.00 0.00 O ATOM 261 H GLY A 15 -2.011 16.755 -9.350 1.00 0.00 H ATOM 262 1HA GLY A 15 -3.613 18.688 -9.146 1.00 0.00 H ATOM 263 2HA GLY A 15 -3.253 19.054 -10.822 1.00 0.00 H ATOM 264 N LYS A 16 -4.392 16.051 -10.099 1.00 0.00 N ATOM 265 CA LYS A 16 -5.429 15.068 -10.390 1.00 0.00 C ATOM 266 C LYS A 16 -6.413 14.946 -9.233 1.00 0.00 C ATOM 267 O LYS A 16 -6.026 15.024 -8.067 1.00 0.00 O ATOM 268 CB LYS A 16 -4.806 13.706 -10.697 1.00 0.00 C ATOM 269 CG LYS A 16 -3.784 13.721 -11.825 1.00 0.00 C ATOM 270 CD LYS A 16 -4.419 14.144 -13.141 1.00 0.00 C ATOM 271 CE LYS A 16 -3.419 14.079 -14.286 1.00 0.00 C ATOM 272 NZ LYS A 16 -4.000 14.578 -15.562 1.00 0.00 N ATOM 273 H LYS A 16 -3.597 15.775 -9.540 1.00 0.00 H ATOM 274 HA LYS A 16 -5.988 15.404 -11.264 1.00 0.00 H ATOM 275 1HB LYS A 16 -4.313 13.322 -9.803 1.00 0.00 H ATOM 276 2HB LYS A 16 -5.591 12.999 -10.967 1.00 0.00 H ATOM 277 1HG LYS A 16 -2.981 14.418 -11.579 1.00 0.00 H ATOM 278 2HG LYS A 16 -3.355 12.727 -11.941 1.00 0.00 H ATOM 279 1HD LYS A 16 -5.260 13.487 -13.367 1.00 0.00 H ATOM 280 2HD LYS A 16 -4.792 15.164 -13.054 1.00 0.00 H ATOM 281 1HE LYS A 16 -2.545 14.681 -14.040 1.00 0.00 H ATOM 282 2HE LYS A 16 -3.095 13.048 -14.428 1.00 0.00 H ATOM 283 1HZ LYS A 16 -3.307 14.518 -16.294 1.00 0.00 H ATOM 284 2HZ LYS A 16 -4.802 14.014 -15.810 1.00 0.00 H ATOM 285 3HZ LYS A 16 -4.287 15.539 -15.448 1.00 0.00 H ATOM 286 N ASP A 17 -7.685 14.755 -9.562 1.00 0.00 N ATOM 287 CA ASP A 17 -8.720 14.575 -8.551 1.00 0.00 C ATOM 288 C ASP A 17 -8.930 13.100 -8.234 1.00 0.00 C ATOM 289 O ASP A 17 -8.244 12.234 -8.777 1.00 0.00 O ATOM 290 CB ASP A 17 -10.039 15.195 -9.017 1.00 0.00 C ATOM 291 CG ASP A 17 -10.654 14.462 -10.201 1.00 0.00 C ATOM 292 OD1 ASP A 17 -10.303 13.327 -10.419 1.00 0.00 O ATOM 293 OD2 ASP A 17 -11.468 15.044 -10.877 1.00 0.00 O ATOM 294 H ASP A 17 -7.943 14.733 -10.539 1.00 0.00 H ATOM 295 HA ASP A 17 -8.399 15.073 -7.636 1.00 0.00 H ATOM 296 1HB ASP A 17 -10.755 15.190 -8.194 1.00 0.00 H ATOM 297 2HB ASP A 17 -9.873 16.236 -9.298 1.00 0.00 H ATOM 298 N ASP A 18 -9.882 12.819 -7.351 1.00 0.00 N ATOM 299 CA ASP A 18 -10.077 11.469 -6.837 1.00 0.00 C ATOM 300 C ASP A 18 -10.417 10.496 -7.959 1.00 0.00 C ATOM 301 O ASP A 18 -9.938 9.362 -7.977 1.00 0.00 O ATOM 302 CB ASP A 18 -11.187 11.450 -5.783 1.00 0.00 C ATOM 303 CG ASP A 18 -10.786 12.143 -4.488 1.00 0.00 C ATOM 304 OD1 ASP A 18 -9.623 12.425 -4.323 1.00 0.00 O ATOM 305 OD2 ASP A 18 -11.647 12.384 -3.676 1.00 0.00 O ATOM 306 H ASP A 18 -10.487 13.561 -7.027 1.00 0.00 H ATOM 307 HA ASP A 18 -9.152 11.143 -6.361 1.00 0.00 H ATOM 308 1HB ASP A 18 -12.075 11.942 -6.182 1.00 0.00 H ATOM 309 2HB ASP A 18 -11.458 10.419 -5.558 1.00 0.00 H ATOM 310 N ASP A 19 -11.247 10.946 -8.894 1.00 0.00 N ATOM 311 CA ASP A 19 -11.709 10.094 -9.983 1.00 0.00 C ATOM 312 C ASP A 19 -10.580 9.786 -10.958 1.00 0.00 C ATOM 313 O ASP A 19 -10.424 8.649 -11.403 1.00 0.00 O ATOM 314 CB ASP A 19 -12.869 10.758 -10.729 1.00 0.00 C ATOM 315 CG ASP A 19 -14.168 10.748 -9.934 1.00 0.00 C ATOM 316 OD1 ASP A 19 -14.299 9.927 -9.058 1.00 0.00 O ATOM 317 OD2 ASP A 19 -15.017 11.561 -10.212 1.00 0.00 O ATOM 318 H ASP A 19 -11.566 11.904 -8.849 1.00 0.00 H ATOM 319 HA ASP A 19 -12.071 9.157 -9.559 1.00 0.00 H ATOM 320 1HB ASP A 19 -12.609 11.792 -10.959 1.00 0.00 H ATOM 321 2HB ASP A 19 -13.035 10.244 -11.676 1.00 0.00 H ATOM 322 N GLU A 20 -9.795 10.806 -11.288 1.00 0.00 N ATOM 323 CA GLU A 20 -8.690 10.650 -12.226 1.00 0.00 C ATOM 324 C GLU A 20 -7.589 9.776 -11.640 1.00 0.00 C ATOM 325 O GLU A 20 -6.998 8.954 -12.340 1.00 0.00 O ATOM 326 CB GLU A 20 -8.120 12.018 -12.610 1.00 0.00 C ATOM 327 CG GLU A 20 -9.042 12.863 -13.476 1.00 0.00 C ATOM 328 CD GLU A 20 -9.355 12.220 -14.799 1.00 0.00 C ATOM 329 OE1 GLU A 20 -8.447 11.740 -15.434 1.00 0.00 O ATOM 330 OE2 GLU A 20 -10.503 12.210 -15.175 1.00 0.00 O ATOM 331 H GLU A 20 -9.968 11.713 -10.877 1.00 0.00 H ATOM 332 HA GLU A 20 -9.070 10.175 -13.132 1.00 0.00 H ATOM 333 1HB GLU A 20 -7.896 12.585 -11.706 1.00 0.00 H ATOM 334 2HB GLU A 20 -7.183 11.882 -13.152 1.00 0.00 H ATOM 335 1HG GLU A 20 -9.974 13.033 -12.938 1.00 0.00 H ATOM 336 2HG GLU A 20 -8.574 13.831 -13.650 1.00 0.00 H ATOM 337 N ILE A 21 -7.318 9.958 -10.353 1.00 0.00 N ATOM 338 CA ILE A 21 -6.323 9.150 -9.657 1.00 0.00 C ATOM 339 C ILE A 21 -6.725 7.681 -9.634 1.00 0.00 C ATOM 340 O ILE A 21 -5.911 6.801 -9.911 1.00 0.00 O ATOM 341 CB ILE A 21 -6.119 9.651 -8.216 1.00 0.00 C ATOM 342 CG1 ILE A 21 -5.437 11.021 -8.218 1.00 0.00 C ATOM 343 CG2 ILE A 21 -5.304 8.648 -7.415 1.00 0.00 C ATOM 344 CD1 ILE A 21 -5.457 11.716 -6.875 1.00 0.00 C ATOM 345 H ILE A 21 -7.814 10.675 -9.842 1.00 0.00 H ATOM 346 HA ILE A 21 -5.372 9.244 -10.183 1.00 0.00 H ATOM 347 HB ILE A 21 -7.089 9.783 -7.736 1.00 0.00 H ATOM 348 1HG1 ILE A 21 -4.398 10.910 -8.529 1.00 0.00 H ATOM 349 2HG1 ILE A 21 -5.926 11.671 -8.944 1.00 0.00 H ATOM 350 1HG2 ILE A 21 -5.169 9.017 -6.398 1.00 0.00 H ATOM 351 2HG2 ILE A 21 -5.828 7.693 -7.387 1.00 0.00 H ATOM 352 3HG2 ILE A 21 -4.329 8.513 -7.884 1.00 0.00 H ATOM 353 1HD1 ILE A 21 -4.955 12.680 -6.956 1.00 0.00 H ATOM 354 2HD1 ILE A 21 -6.490 11.869 -6.560 1.00 0.00 H ATOM 355 3HD1 ILE A 21 -4.941 11.100 -6.140 1.00 0.00 H ATOM 356 N ARG A 22 -7.985 7.423 -9.300 1.00 0.00 N ATOM 357 CA ARG A 22 -8.505 6.062 -9.265 1.00 0.00 C ATOM 358 C ARG A 22 -8.328 5.369 -10.610 1.00 0.00 C ATOM 359 O ARG A 22 -7.868 4.230 -10.677 1.00 0.00 O ATOM 360 CB ARG A 22 -9.979 6.061 -8.887 1.00 0.00 C ATOM 361 CG ARG A 22 -10.598 4.681 -8.729 1.00 0.00 C ATOM 362 CD ARG A 22 -11.998 4.760 -8.239 1.00 0.00 C ATOM 363 NE ARG A 22 -12.875 5.401 -9.205 1.00 0.00 N ATOM 364 CZ ARG A 22 -13.371 6.647 -9.080 1.00 0.00 C ATOM 365 NH1 ARG A 22 -13.067 7.372 -8.026 1.00 0.00 N ATOM 366 NH2 ARG A 22 -14.162 7.141 -10.016 1.00 0.00 N ATOM 367 H ARG A 22 -8.599 8.190 -9.065 1.00 0.00 H ATOM 368 HA ARG A 22 -7.955 5.501 -8.508 1.00 0.00 H ATOM 369 1HB ARG A 22 -10.113 6.592 -7.946 1.00 0.00 H ATOM 370 2HB ARG A 22 -10.550 6.593 -9.648 1.00 0.00 H ATOM 371 1HG ARG A 22 -10.600 4.170 -9.692 1.00 0.00 H ATOM 372 2HG ARG A 22 -10.016 4.101 -8.011 1.00 0.00 H ATOM 373 1HD ARG A 22 -12.374 3.755 -8.050 1.00 0.00 H ATOM 374 2HD ARG A 22 -12.028 5.338 -7.316 1.00 0.00 H ATOM 375 HE ARG A 22 -13.131 4.874 -10.030 1.00 0.00 H ATOM 376 1HH1 ARG A 22 -12.462 6.995 -7.311 1.00 0.00 H ATOM 377 2HH1 ARG A 22 -13.439 8.307 -7.932 1.00 0.00 H ATOM 378 1HH2 ARG A 22 -14.396 6.583 -10.826 1.00 0.00 H ATOM 379 2HH2 ARG A 22 -14.534 8.074 -9.922 1.00 0.00 H ATOM 380 N LYS A 23 -8.696 6.065 -11.680 1.00 0.00 N ATOM 381 CA LYS A 23 -8.573 5.520 -13.027 1.00 0.00 C ATOM 382 C LYS A 23 -7.122 5.204 -13.364 1.00 0.00 C ATOM 383 O LYS A 23 -6.819 4.147 -13.917 1.00 0.00 O ATOM 384 CB LYS A 23 -9.150 6.496 -14.054 1.00 0.00 C ATOM 385 CG LYS A 23 -10.670 6.592 -14.046 1.00 0.00 C ATOM 386 CD LYS A 23 -11.178 7.416 -15.220 1.00 0.00 C ATOM 387 CE LYS A 23 -10.844 8.891 -15.047 1.00 0.00 C ATOM 388 NZ LYS A 23 -11.430 9.725 -16.131 1.00 0.00 N ATOM 389 H LYS A 23 -9.070 6.995 -11.558 1.00 0.00 H ATOM 390 HA LYS A 23 -9.154 4.599 -13.082 1.00 0.00 H ATOM 391 1HB LYS A 23 -8.751 7.494 -13.872 1.00 0.00 H ATOM 392 2HB LYS A 23 -8.839 6.197 -15.055 1.00 0.00 H ATOM 393 1HG LYS A 23 -11.099 5.591 -14.104 1.00 0.00 H ATOM 394 2HG LYS A 23 -11.000 7.056 -13.117 1.00 0.00 H ATOM 395 1HD LYS A 23 -10.723 7.055 -16.143 1.00 0.00 H ATOM 396 2HD LYS A 23 -12.260 7.306 -15.300 1.00 0.00 H ATOM 397 1HE LYS A 23 -11.226 9.241 -14.090 1.00 0.00 H ATOM 398 2HE LYS A 23 -9.762 9.021 -15.051 1.00 0.00 H ATOM 399 1HZ LYS A 23 -11.186 10.693 -15.981 1.00 0.00 H ATOM 400 2HZ LYS A 23 -11.068 9.421 -17.024 1.00 0.00 H ATOM 401 3HZ LYS A 23 -12.435 9.627 -16.126 1.00 0.00 H ATOM 402 N ILE A 24 -6.227 6.127 -13.026 1.00 0.00 N ATOM 403 CA ILE A 24 -4.802 5.938 -13.273 1.00 0.00 C ATOM 404 C ILE A 24 -4.268 4.727 -12.519 1.00 0.00 C ATOM 405 O ILE A 24 -3.551 3.900 -13.082 1.00 0.00 O ATOM 406 CB ILE A 24 -4.004 7.191 -12.866 1.00 0.00 C ATOM 407 CG1 ILE A 24 -4.317 8.354 -13.811 1.00 0.00 C ATOM 408 CG2 ILE A 24 -2.513 6.892 -12.859 1.00 0.00 C ATOM 409 CD1 ILE A 24 -3.828 9.694 -13.312 1.00 0.00 C ATOM 410 H ILE A 24 -6.542 6.980 -12.588 1.00 0.00 H ATOM 411 HA ILE A 24 -4.654 5.778 -14.341 1.00 0.00 H ATOM 412 HB ILE A 24 -4.307 7.506 -11.867 1.00 0.00 H ATOM 413 1HG1 ILE A 24 -3.863 8.165 -14.783 1.00 0.00 H ATOM 414 2HG1 ILE A 24 -5.395 8.420 -13.962 1.00 0.00 H ATOM 415 1HG2 ILE A 24 -1.964 7.788 -12.570 1.00 0.00 H ATOM 416 2HG2 ILE A 24 -2.305 6.094 -12.148 1.00 0.00 H ATOM 417 3HG2 ILE A 24 -2.200 6.581 -13.856 1.00 0.00 H ATOM 418 1HD1 ILE A 24 -4.087 10.468 -14.035 1.00 0.00 H ATOM 419 2HD1 ILE A 24 -4.299 9.920 -12.354 1.00 0.00 H ATOM 420 3HD1 ILE A 24 -2.747 9.663 -13.187 1.00 0.00 H ATOM 421 N LEU A 25 -4.621 4.629 -11.242 1.00 0.00 N ATOM 422 CA LEU A 25 -4.162 3.528 -10.403 1.00 0.00 C ATOM 423 C LEU A 25 -4.629 2.186 -10.950 1.00 0.00 C ATOM 424 O LEU A 25 -3.891 1.202 -10.921 1.00 0.00 O ATOM 425 CB LEU A 25 -4.672 3.708 -8.967 1.00 0.00 C ATOM 426 CG LEU A 25 -4.067 4.883 -8.188 1.00 0.00 C ATOM 427 CD1 LEU A 25 -4.835 5.080 -6.888 1.00 0.00 C ATOM 428 CD2 LEU A 25 -2.595 4.609 -7.918 1.00 0.00 C ATOM 429 H LEU A 25 -5.222 5.335 -10.842 1.00 0.00 H ATOM 430 HA LEU A 25 -3.071 3.538 -10.385 1.00 0.00 H ATOM 431 1HB LEU A 25 -5.751 3.851 -8.998 1.00 0.00 H ATOM 432 2HB LEU A 25 -4.463 2.796 -8.408 1.00 0.00 H ATOM 433 HG LEU A 25 -4.164 5.797 -8.775 1.00 0.00 H ATOM 434 1HD1 LEU A 25 -4.405 5.915 -6.335 1.00 0.00 H ATOM 435 2HD1 LEU A 25 -5.880 5.293 -7.112 1.00 0.00 H ATOM 436 3HD1 LEU A 25 -4.770 4.174 -6.287 1.00 0.00 H ATOM 437 1HD2 LEU A 25 -2.165 5.444 -7.365 1.00 0.00 H ATOM 438 2HD2 LEU A 25 -2.497 3.696 -7.330 1.00 0.00 H ATOM 439 3HD2 LEU A 25 -2.067 4.490 -8.864 1.00 0.00 H ATOM 440 N ARG A 26 -5.860 2.153 -11.450 1.00 0.00 N ATOM 441 CA ARG A 26 -6.393 0.959 -12.095 1.00 0.00 C ATOM 442 C ARG A 26 -5.593 0.602 -13.341 1.00 0.00 C ATOM 443 O ARG A 26 -5.323 -0.570 -13.602 1.00 0.00 O ATOM 444 CB ARG A 26 -7.853 1.162 -12.474 1.00 0.00 C ATOM 445 CG ARG A 26 -8.822 1.175 -11.302 1.00 0.00 C ATOM 446 CD ARG A 26 -10.213 1.450 -11.743 1.00 0.00 C ATOM 447 NE ARG A 26 -11.151 1.417 -10.632 1.00 0.00 N ATOM 448 CZ ARG A 26 -12.477 1.625 -10.744 1.00 0.00 C ATOM 449 NH1 ARG A 26 -13.006 1.881 -11.920 1.00 0.00 N ATOM 450 NH2 ARG A 26 -13.247 1.573 -9.671 1.00 0.00 N ATOM 451 H ARG A 26 -6.441 2.976 -11.382 1.00 0.00 H ATOM 452 HA ARG A 26 -6.332 0.129 -11.390 1.00 0.00 H ATOM 453 1HB ARG A 26 -7.963 2.107 -13.003 1.00 0.00 H ATOM 454 2HB ARG A 26 -8.166 0.368 -13.152 1.00 0.00 H ATOM 455 1HG ARG A 26 -8.805 0.204 -10.805 1.00 0.00 H ATOM 456 2HG ARG A 26 -8.527 1.950 -10.594 1.00 0.00 H ATOM 457 1HD ARG A 26 -10.261 2.438 -12.200 1.00 0.00 H ATOM 458 2HD ARG A 26 -10.520 0.699 -12.470 1.00 0.00 H ATOM 459 HE ARG A 26 -10.782 1.223 -9.711 1.00 0.00 H ATOM 460 1HH1 ARG A 26 -12.417 1.921 -12.741 1.00 0.00 H ATOM 461 2HH1 ARG A 26 -13.999 2.037 -12.004 1.00 0.00 H ATOM 462 1HH2 ARG A 26 -12.841 1.377 -8.766 1.00 0.00 H ATOM 463 2HH2 ARG A 26 -14.241 1.730 -9.755 1.00 0.00 H ATOM 464 N LYS A 27 -5.217 1.619 -14.108 1.00 0.00 N ATOM 465 CA LYS A 27 -4.397 1.420 -15.297 1.00 0.00 C ATOM 466 C LYS A 27 -3.007 0.918 -14.930 1.00 0.00 C ATOM 467 O LYS A 27 -2.351 0.243 -15.723 1.00 0.00 O ATOM 468 CB LYS A 27 -4.292 2.718 -16.099 1.00 0.00 C ATOM 469 CG LYS A 27 -5.581 3.133 -16.797 1.00 0.00 C ATOM 470 CD LYS A 27 -5.410 4.451 -17.537 1.00 0.00 C ATOM 471 CE LYS A 27 -6.697 4.866 -18.234 1.00 0.00 C ATOM 472 NZ LYS A 27 -6.546 6.158 -18.957 1.00 0.00 N ATOM 473 H LYS A 27 -5.506 2.555 -13.861 1.00 0.00 H ATOM 474 HA LYS A 27 -4.882 0.676 -15.931 1.00 0.00 H ATOM 475 1HB LYS A 27 -3.993 3.532 -15.438 1.00 0.00 H ATOM 476 2HB LYS A 27 -3.519 2.614 -16.860 1.00 0.00 H ATOM 477 1HG LYS A 27 -5.874 2.361 -17.510 1.00 0.00 H ATOM 478 2HG LYS A 27 -6.375 3.241 -16.059 1.00 0.00 H ATOM 479 1HD LYS A 27 -5.121 5.230 -16.830 1.00 0.00 H ATOM 480 2HD LYS A 27 -4.621 4.350 -18.282 1.00 0.00 H ATOM 481 1HE LYS A 27 -6.988 4.097 -18.948 1.00 0.00 H ATOM 482 2HE LYS A 27 -7.493 4.968 -17.497 1.00 0.00 H ATOM 483 1HZ LYS A 27 -7.419 6.398 -19.405 1.00 0.00 H ATOM 484 2HZ LYS A 27 -6.293 6.884 -18.301 1.00 0.00 H ATOM 485 3HZ LYS A 27 -5.823 6.071 -19.656 1.00 0.00 H ATOM 486 N LEU A 28 -2.563 1.250 -13.723 1.00 0.00 N ATOM 487 CA LEU A 28 -1.262 0.807 -13.236 1.00 0.00 C ATOM 488 C LEU A 28 -1.337 -0.606 -12.673 1.00 0.00 C ATOM 489 O LEU A 28 -0.320 -1.191 -12.299 1.00 0.00 O ATOM 490 CB LEU A 28 -0.745 1.767 -12.157 1.00 0.00 C ATOM 491 CG LEU A 28 -0.421 3.189 -12.632 1.00 0.00 C ATOM 492 CD1 LEU A 28 -0.074 4.059 -11.431 1.00 0.00 C ATOM 493 CD2 LEU A 28 0.731 3.143 -13.625 1.00 0.00 C ATOM 494 H LEU A 28 -3.141 1.825 -13.127 1.00 0.00 H ATOM 495 HA LEU A 28 -0.564 0.799 -14.073 1.00 0.00 H ATOM 496 1HB LEU A 28 -1.495 1.843 -11.371 1.00 0.00 H ATOM 497 2HB LEU A 28 0.163 1.347 -11.724 1.00 0.00 H ATOM 498 HG LEU A 28 -1.298 3.621 -13.114 1.00 0.00 H ATOM 499 1HD1 LEU A 28 0.156 5.070 -11.768 1.00 0.00 H ATOM 500 2HD1 LEU A 28 -0.922 4.090 -10.747 1.00 0.00 H ATOM 501 3HD1 LEU A 28 0.792 3.643 -10.918 1.00 0.00 H ATOM 502 1HD2 LEU A 28 0.961 4.154 -13.963 1.00 0.00 H ATOM 503 2HD2 LEU A 28 1.610 2.713 -13.143 1.00 0.00 H ATOM 504 3HD2 LEU A 28 0.449 2.530 -14.480 1.00 0.00 H ATOM 505 N GLY A 29 -2.547 -1.151 -12.615 1.00 0.00 N ATOM 506 CA GLY A 29 -2.759 -2.493 -12.085 1.00 0.00 C ATOM 507 C GLY A 29 -2.781 -2.486 -10.562 1.00 0.00 C ATOM 508 O GLY A 29 -2.437 -3.480 -9.922 1.00 0.00 O ATOM 509 H GLY A 29 -3.341 -0.623 -12.947 1.00 0.00 H ATOM 510 1HA GLY A 29 -3.700 -2.890 -12.465 1.00 0.00 H ATOM 511 2HA GLY A 29 -1.966 -3.152 -12.438 1.00 0.00 H ATOM 512 N ILE A 30 -3.189 -1.361 -9.986 1.00 0.00 N ATOM 513 CA ILE A 30 -3.201 -1.202 -8.537 1.00 0.00 C ATOM 514 C ILE A 30 -4.605 -1.384 -7.975 1.00 0.00 C ATOM 515 O ILE A 30 -5.555 -0.746 -8.431 1.00 0.00 O ATOM 516 CB ILE A 30 -2.660 0.181 -8.131 1.00 0.00 C ATOM 517 CG1 ILE A 30 -1.192 0.321 -8.541 1.00 0.00 C ATOM 518 CG2 ILE A 30 -2.822 0.397 -6.634 1.00 0.00 C ATOM 519 CD1 ILE A 30 -0.656 1.730 -8.422 1.00 0.00 C ATOM 520 H ILE A 30 -3.499 -0.595 -10.567 1.00 0.00 H ATOM 521 HA ILE A 30 -2.559 -1.965 -8.100 1.00 0.00 H ATOM 522 HB ILE A 30 -3.211 0.957 -8.662 1.00 0.00 H ATOM 523 1HG1 ILE A 30 -0.578 -0.331 -7.921 1.00 0.00 H ATOM 524 2HG1 ILE A 30 -1.070 -0.003 -9.575 1.00 0.00 H ATOM 525 1HG2 ILE A 30 -2.433 1.379 -6.364 1.00 0.00 H ATOM 526 2HG2 ILE A 30 -3.877 0.339 -6.370 1.00 0.00 H ATOM 527 3HG2 ILE A 30 -2.269 -0.372 -6.094 1.00 0.00 H ATOM 528 1HD1 ILE A 30 0.390 1.749 -8.730 1.00 0.00 H ATOM 529 2HD1 ILE A 30 -1.236 2.395 -9.063 1.00 0.00 H ATOM 530 3HD1 ILE A 30 -0.735 2.063 -7.388 1.00 0.00 H ATOM 531 N SER A 31 -4.731 -2.257 -6.981 1.00 0.00 N ATOM 532 CA SER A 31 -6.014 -2.500 -6.332 1.00 0.00 C ATOM 533 C SER A 31 -6.566 -1.225 -5.707 1.00 0.00 C ATOM 534 O SER A 31 -5.859 -0.519 -4.988 1.00 0.00 O ATOM 535 CB SER A 31 -5.867 -3.571 -5.270 1.00 0.00 C ATOM 536 OG SER A 31 -7.023 -3.660 -4.483 1.00 0.00 O ATOM 537 H SER A 31 -3.917 -2.765 -6.667 1.00 0.00 H ATOM 538 HA SER A 31 -6.723 -2.844 -7.086 1.00 0.00 H ATOM 539 1HB SER A 31 -5.674 -4.532 -5.747 1.00 0.00 H ATOM 540 2HB SER A 31 -5.010 -3.342 -4.638 1.00 0.00 H ATOM 541 HG SER A 31 -7.491 -4.441 -4.787 1.00 0.00 H ATOM 542 N GLU A 32 -7.832 -0.935 -5.987 1.00 0.00 N ATOM 543 CA GLU A 32 -8.492 0.236 -5.421 1.00 0.00 C ATOM 544 C GLU A 32 -8.537 0.162 -3.900 1.00 0.00 C ATOM 545 O GLU A 32 -8.229 1.135 -3.212 1.00 0.00 O ATOM 546 CB GLU A 32 -9.912 0.368 -5.977 1.00 0.00 C ATOM 547 CG GLU A 32 -10.691 1.558 -5.435 1.00 0.00 C ATOM 548 CD GLU A 32 -12.062 1.684 -6.040 1.00 0.00 C ATOM 549 OE1 GLU A 32 -12.273 1.151 -7.103 1.00 0.00 O ATOM 550 OE2 GLU A 32 -12.899 2.314 -5.438 1.00 0.00 O ATOM 551 H GLU A 32 -8.350 -1.540 -6.606 1.00 0.00 H ATOM 552 HA GLU A 32 -7.930 1.124 -5.711 1.00 0.00 H ATOM 553 1HB GLU A 32 -9.870 0.462 -7.062 1.00 0.00 H ATOM 554 2HB GLU A 32 -10.478 -0.535 -5.748 1.00 0.00 H ATOM 555 1HG GLU A 32 -10.792 1.451 -4.355 1.00 0.00 H ATOM 556 2HG GLU A 32 -10.127 2.468 -5.632 1.00 0.00 H ATOM 557 N ASP A 33 -8.923 -0.999 -3.381 1.00 0.00 N ATOM 558 CA ASP A 33 -9.004 -1.203 -1.939 1.00 0.00 C ATOM 559 C ASP A 33 -7.656 -0.964 -1.272 1.00 0.00 C ATOM 560 O ASP A 33 -7.578 -0.335 -0.217 1.00 0.00 O ATOM 561 CB ASP A 33 -9.492 -2.620 -1.625 1.00 0.00 C ATOM 562 CG ASP A 33 -10.967 -2.824 -1.944 1.00 0.00 C ATOM 563 OD1 ASP A 33 -11.657 -1.847 -2.120 1.00 0.00 O ATOM 564 OD2 ASP A 33 -11.389 -3.953 -2.008 1.00 0.00 O ATOM 565 H ASP A 33 -9.167 -1.758 -4.000 1.00 0.00 H ATOM 566 HA ASP A 33 -9.728 -0.497 -1.530 1.00 0.00 H ATOM 567 1HB ASP A 33 -8.908 -3.341 -2.199 1.00 0.00 H ATOM 568 2HB ASP A 33 -9.330 -2.835 -0.569 1.00 0.00 H ATOM 569 N GLU A 34 -6.596 -1.470 -1.893 1.00 0.00 N ATOM 570 CA GLU A 34 -5.244 -1.277 -1.383 1.00 0.00 C ATOM 571 C GLU A 34 -4.821 0.183 -1.483 1.00 0.00 C ATOM 572 O GLU A 34 -4.160 0.710 -0.588 1.00 0.00 O ATOM 573 CB GLU A 34 -4.254 -2.159 -2.147 1.00 0.00 C ATOM 574 CG GLU A 34 -2.813 -2.047 -1.669 1.00 0.00 C ATOM 575 CD GLU A 34 -2.630 -2.506 -0.249 1.00 0.00 C ATOM 576 OE1 GLU A 34 -3.506 -3.162 0.261 1.00 0.00 O ATOM 577 OE2 GLU A 34 -1.612 -2.200 0.326 1.00 0.00 O ATOM 578 H GLU A 34 -6.730 -2.002 -2.741 1.00 0.00 H ATOM 579 HA GLU A 34 -5.225 -1.576 -0.334 1.00 0.00 H ATOM 580 1HB GLU A 34 -4.555 -3.204 -2.059 1.00 0.00 H ATOM 581 2HB GLU A 34 -4.277 -1.900 -3.205 1.00 0.00 H ATOM 582 1HG GLU A 34 -2.178 -2.649 -2.318 1.00 0.00 H ATOM 583 2HG GLU A 34 -2.494 -1.009 -1.755 1.00 0.00 H ATOM 584 N ALA A 35 -5.204 0.831 -2.578 1.00 0.00 N ATOM 585 CA ALA A 35 -4.901 2.243 -2.778 1.00 0.00 C ATOM 586 C ALA A 35 -5.587 3.108 -1.728 1.00 0.00 C ATOM 587 O ALA A 35 -5.007 4.071 -1.228 1.00 0.00 O ATOM 588 CB ALA A 35 -5.314 2.680 -4.175 1.00 0.00 C ATOM 589 H ALA A 35 -5.719 0.332 -3.289 1.00 0.00 H ATOM 590 HA ALA A 35 -3.822 2.380 -2.694 1.00 0.00 H ATOM 591 1HB ALA A 35 -5.081 3.737 -4.310 1.00 0.00 H ATOM 592 2HB ALA A 35 -4.771 2.092 -4.916 1.00 0.00 H ATOM 593 3HB ALA A 35 -6.384 2.526 -4.303 1.00 0.00 H ATOM 594 N ARG A 36 -6.826 2.758 -1.398 1.00 0.00 N ATOM 595 CA ARG A 36 -7.573 3.467 -0.366 1.00 0.00 C ATOM 596 C ARG A 36 -6.912 3.313 0.997 1.00 0.00 C ATOM 597 O ARG A 36 -6.828 4.268 1.769 1.00 0.00 O ATOM 598 CB ARG A 36 -9.004 2.954 -0.293 1.00 0.00 C ATOM 599 CG ARG A 36 -9.891 3.368 -1.456 1.00 0.00 C ATOM 600 CD ARG A 36 -11.257 2.796 -1.336 1.00 0.00 C ATOM 601 NE ARG A 36 -12.099 3.160 -2.464 1.00 0.00 N ATOM 602 CZ ARG A 36 -12.805 4.304 -2.554 1.00 0.00 C ATOM 603 NH1 ARG A 36 -12.760 5.183 -1.578 1.00 0.00 N ATOM 604 NH2 ARG A 36 -13.543 4.542 -3.625 1.00 0.00 N ATOM 605 H ARG A 36 -7.261 1.980 -1.874 1.00 0.00 H ATOM 606 HA ARG A 36 -7.599 4.526 -0.625 1.00 0.00 H ATOM 607 1HB ARG A 36 -8.998 1.866 -0.254 1.00 0.00 H ATOM 608 2HB ARG A 36 -9.472 3.312 0.623 1.00 0.00 H ATOM 609 1HG ARG A 36 -9.976 4.455 -1.481 1.00 0.00 H ATOM 610 2HG ARG A 36 -9.454 3.017 -2.391 1.00 0.00 H ATOM 611 1HD ARG A 36 -11.194 1.709 -1.294 1.00 0.00 H ATOM 612 2HD ARG A 36 -11.727 3.167 -0.426 1.00 0.00 H ATOM 613 HE ARG A 36 -12.159 2.508 -3.235 1.00 0.00 H ATOM 614 1HH1 ARG A 36 -12.196 5.000 -0.760 1.00 0.00 H ATOM 615 2HH1 ARG A 36 -13.289 6.040 -1.646 1.00 0.00 H ATOM 616 1HH2 ARG A 36 -13.577 3.866 -4.376 1.00 0.00 H ATOM 617 2HH2 ARG A 36 -14.072 5.399 -3.693 1.00 0.00 H ATOM 618 N ARG A 37 -6.442 2.104 1.289 1.00 0.00 N ATOM 619 CA ARG A 37 -5.675 1.853 2.503 1.00 0.00 C ATOM 620 C ARG A 37 -4.372 2.641 2.504 1.00 0.00 C ATOM 621 O ARG A 37 -3.967 3.188 3.530 1.00 0.00 O ATOM 622 CB ARG A 37 -5.367 0.369 2.643 1.00 0.00 C ATOM 623 CG ARG A 37 -6.552 -0.495 3.046 1.00 0.00 C ATOM 624 CD ARG A 37 -6.130 -1.873 3.403 1.00 0.00 C ATOM 625 NE ARG A 37 -5.735 -2.640 2.232 1.00 0.00 N ATOM 626 CZ ARG A 37 -6.574 -3.388 1.489 1.00 0.00 C ATOM 627 NH1 ARG A 37 -7.847 -3.461 1.808 1.00 0.00 N ATOM 628 NH2 ARG A 37 -6.116 -4.050 0.440 1.00 0.00 N ATOM 629 H ARG A 37 -6.622 1.341 0.653 1.00 0.00 H ATOM 630 HA ARG A 37 -6.273 2.163 3.360 1.00 0.00 H ATOM 631 1HB ARG A 37 -4.987 -0.014 1.698 1.00 0.00 H ATOM 632 2HB ARG A 37 -4.587 0.229 3.391 1.00 0.00 H ATOM 633 1HG ARG A 37 -7.047 -0.053 3.912 1.00 0.00 H ATOM 634 2HG ARG A 37 -7.257 -0.555 2.217 1.00 0.00 H ATOM 635 1HD ARG A 37 -5.280 -1.829 4.084 1.00 0.00 H ATOM 636 2HD ARG A 37 -6.956 -2.393 3.888 1.00 0.00 H ATOM 637 HE ARG A 37 -4.763 -2.609 1.956 1.00 0.00 H ATOM 638 1HH1 ARG A 37 -8.197 -2.955 2.609 1.00 0.00 H ATOM 639 2HH1 ARG A 37 -8.476 -4.022 1.251 1.00 0.00 H ATOM 640 1HH2 ARG A 37 -5.137 -3.994 0.196 1.00 0.00 H ATOM 641 2HH2 ARG A 37 -6.744 -4.610 -0.116 1.00 0.00 H ATOM 642 N ALA A 38 -3.718 2.696 1.349 1.00 0.00 N ATOM 643 CA ALA A 38 -2.491 3.469 1.199 1.00 0.00 C ATOM 644 C ALA A 38 -2.740 4.952 1.445 1.00 0.00 C ATOM 645 O ALA A 38 -1.931 5.630 2.078 1.00 0.00 O ATOM 646 CB ALA A 38 -1.896 3.256 -0.186 1.00 0.00 C ATOM 647 H ALA A 38 -4.081 2.190 0.553 1.00 0.00 H ATOM 648 HA ALA A 38 -1.765 3.110 1.929 1.00 0.00 H ATOM 649 1HB ALA A 38 -0.981 3.839 -0.282 1.00 0.00 H ATOM 650 2HB ALA A 38 -1.670 2.199 -0.325 1.00 0.00 H ATOM 651 3HB ALA A 38 -2.612 3.576 -0.942 1.00 0.00 H ATOM 652 N GLU A 39 -3.864 5.449 0.941 1.00 0.00 N ATOM 653 CA GLU A 39 -4.235 6.847 1.128 1.00 0.00 C ATOM 654 C GLU A 39 -4.497 7.156 2.596 1.00 0.00 C ATOM 655 O GLU A 39 -4.110 8.213 3.097 1.00 0.00 O ATOM 656 CB GLU A 39 -5.473 7.186 0.296 1.00 0.00 C ATOM 657 CG GLU A 39 -5.906 8.643 0.378 1.00 0.00 C ATOM 658 CD GLU A 39 -6.970 8.995 -0.625 1.00 0.00 C ATOM 659 OE1 GLU A 39 -6.648 9.136 -1.780 1.00 0.00 O ATOM 660 OE2 GLU A 39 -8.107 9.123 -0.234 1.00 0.00 O ATOM 661 H GLU A 39 -4.479 4.844 0.416 1.00 0.00 H ATOM 662 HA GLU A 39 -3.411 7.472 0.780 1.00 0.00 H ATOM 663 1HB GLU A 39 -5.283 6.952 -0.752 1.00 0.00 H ATOM 664 2HB GLU A 39 -6.311 6.570 0.622 1.00 0.00 H ATOM 665 1HG GLU A 39 -6.287 8.843 1.379 1.00 0.00 H ATOM 666 2HG GLU A 39 -5.037 9.279 0.216 1.00 0.00 H ATOM 667 N LYS A 40 -5.156 6.229 3.282 1.00 0.00 N ATOM 668 CA LYS A 40 -5.412 6.370 4.711 1.00 0.00 C ATOM 669 C LYS A 40 -4.112 6.525 5.490 1.00 0.00 C ATOM 670 O LYS A 40 -4.036 7.305 6.440 1.00 0.00 O ATOM 671 CB LYS A 40 -6.200 5.168 5.235 1.00 0.00 C ATOM 672 CG LYS A 40 -7.658 5.133 4.799 1.00 0.00 C ATOM 673 CD LYS A 40 -8.360 3.887 5.317 1.00 0.00 C ATOM 674 CE LYS A 40 -9.815 3.846 4.874 1.00 0.00 C ATOM 675 NZ LYS A 40 -10.515 2.630 5.372 1.00 0.00 N ATOM 676 H LYS A 40 -5.489 5.405 2.802 1.00 0.00 H ATOM 677 HA LYS A 40 -6.022 7.261 4.867 1.00 0.00 H ATOM 678 1HB LYS A 40 -5.726 4.247 4.895 1.00 0.00 H ATOM 679 2HB LYS A 40 -6.176 5.165 6.325 1.00 0.00 H ATOM 680 1HG LYS A 40 -8.174 6.015 5.180 1.00 0.00 H ATOM 681 2HG LYS A 40 -7.713 5.145 3.710 1.00 0.00 H ATOM 682 1HD LYS A 40 -7.850 2.999 4.942 1.00 0.00 H ATOM 683 2HD LYS A 40 -8.321 3.874 6.406 1.00 0.00 H ATOM 684 1HE LYS A 40 -10.334 4.727 5.248 1.00 0.00 H ATOM 685 2HE LYS A 40 -9.865 3.857 3.785 1.00 0.00 H ATOM 686 1HZ LYS A 40 -11.474 2.641 5.057 1.00 0.00 H ATOM 687 2HZ LYS A 40 -10.052 1.805 5.016 1.00 0.00 H ATOM 688 3HZ LYS A 40 -10.492 2.618 6.382 1.00 0.00 H ATOM 689 N LYS A 41 -3.092 5.778 5.084 1.00 0.00 N ATOM 690 CA LYS A 41 -1.762 5.917 5.664 1.00 0.00 C ATOM 691 C LYS A 41 -1.095 7.209 5.211 1.00 0.00 C ATOM 692 O LYS A 41 -0.414 7.875 5.991 1.00 0.00 O ATOM 693 CB LYS A 41 -0.888 4.717 5.295 1.00 0.00 C ATOM 694 CG LYS A 41 0.485 4.712 5.954 1.00 0.00 C ATOM 695 CD LYS A 41 1.252 3.440 5.623 1.00 0.00 C ATOM 696 CE LYS A 41 2.600 3.407 6.328 1.00 0.00 C ATOM 697 NZ LYS A 41 3.383 2.192 5.975 1.00 0.00 N ATOM 698 H LYS A 41 -3.241 5.096 4.354 1.00 0.00 H ATOM 699 HA LYS A 41 -1.858 5.936 6.750 1.00 0.00 H ATOM 700 1HB LYS A 41 -1.398 3.795 5.577 1.00 0.00 H ATOM 701 2HB LYS A 41 -0.741 4.692 4.215 1.00 0.00 H ATOM 702 1HG LYS A 41 1.058 5.572 5.607 1.00 0.00 H ATOM 703 2HG LYS A 41 0.370 4.786 7.035 1.00 0.00 H ATOM 704 1HD LYS A 41 0.668 2.572 5.932 1.00 0.00 H ATOM 705 2HD LYS A 41 1.414 3.383 4.547 1.00 0.00 H ATOM 706 1HE LYS A 41 3.177 4.289 6.051 1.00 0.00 H ATOM 707 2HE LYS A 41 2.447 3.424 7.407 1.00 0.00 H ATOM 708 1HZ LYS A 41 4.268 2.207 6.462 1.00 0.00 H ATOM 709 2HZ LYS A 41 2.865 1.367 6.244 1.00 0.00 H ATOM 710 3HZ LYS A 41 3.548 2.174 4.979 1.00 0.00 H ATOM 711 N LEU A 42 -1.295 7.559 3.945 1.00 0.00 N ATOM 712 CA LEU A 42 -0.705 8.768 3.382 1.00 0.00 C ATOM 713 C LEU A 42 -1.097 9.999 4.189 1.00 0.00 C ATOM 714 O LEU A 42 -0.242 10.793 4.584 1.00 0.00 O ATOM 715 CB LEU A 42 -1.147 8.944 1.924 1.00 0.00 C ATOM 716 CG LEU A 42 -0.626 10.203 1.218 1.00 0.00 C ATOM 717 CD1 LEU A 42 0.894 10.152 1.145 1.00 0.00 C ATOM 718 CD2 LEU A 42 -1.237 10.295 -0.172 1.00 0.00 C ATOM 719 H LEU A 42 -1.870 6.973 3.357 1.00 0.00 H ATOM 720 HA LEU A 42 0.380 8.667 3.404 1.00 0.00 H ATOM 721 1HB LEU A 42 -0.810 8.081 1.352 1.00 0.00 H ATOM 722 2HB LEU A 42 -2.236 8.973 1.891 1.00 0.00 H ATOM 723 HG LEU A 42 -0.903 11.085 1.795 1.00 0.00 H ATOM 724 1HD1 LEU A 42 1.264 11.047 0.644 1.00 0.00 H ATOM 725 2HD1 LEU A 42 1.305 10.106 2.154 1.00 0.00 H ATOM 726 3HD1 LEU A 42 1.202 9.269 0.586 1.00 0.00 H ATOM 727 1HD2 LEU A 42 -0.868 11.190 -0.674 1.00 0.00 H ATOM 728 2HD2 LEU A 42 -0.960 9.414 -0.751 1.00 0.00 H ATOM 729 3HD2 LEU A 42 -2.323 10.347 -0.090 1.00 0.00 H ATOM 730 N GLY A 43 -2.394 10.153 4.433 1.00 0.00 N ATOM 731 CA GLY A 43 -2.900 11.276 5.212 1.00 0.00 C ATOM 732 C GLY A 43 -4.399 11.150 5.453 1.00 0.00 C ATOM 733 O GLY A 43 -5.122 10.579 4.637 1.00 0.00 O ATOM 734 OXT GLY A 43 -4.888 11.610 6.448 1.00 0.00 O ATOM 735 H GLY A 43 -3.047 9.474 4.068 1.00 0.00 H ATOM 736 1HA GLY A 43 -2.377 11.321 6.168 1.00 0.00 H ATOM 737 2HA GLY A 43 -2.689 12.207 4.687 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE nods_bigger.blueprint.44_try131_pass_20150324064747_0001_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 rama omega fa_dun p_aa_pp ref total weights 0.8 0.44 0.75 0.004 0.7 1 1.17 1.17 1.17 1.1 1 0.2 0.5 0.56 0.32 1 NA pose -167.909 14.4851 101.116 0.34774 -28.9991 0 -23.3808 -1.65468 -1.44781 -6.94139 0 -5.82669 2.11055 45.8785 -5.70307 -11.4795 -89.4045 GLN:NtermProteinFull_1 -3.20129 0.16852 3.1342 0.00646 -1.20071 0 0 0 -0.3412 -0.18797 0 0 0.05695 1.69164 0 -1.17797 -1.05136 ASP_2 -2.57347 0.23776 2.15556 0.00331 -1.15266 0 0 0 0 -0.25841 0 -0.15285 0.00734 1.32727 0.01972 -1.28682 -1.67325 GLU_3 -3.21835 0.25845 2.34005 0.00519 -0.87076 0 0 0 0 -0.2623 0 -0.26588 0.15321 2.36059 -0.15626 -1.55374 -1.20981 ILE_4 -5.25749 0.56656 1.88484 0.01982 -0.00548 0 0 0 0 0 0 -0.04693 0.09687 0.1074 -0.08123 0.8318 -1.88384 ALA_5 -4.19408 0.25182 1.83672 0.00075 -0.19695 0 0 0 0 0 0 -0.19231 0.08434 0 -0.20077 0.59294 -2.01754 LYS_6 -4.13613 0.39828 2.88663 0.00312 -1.10582 0 0 0 0 -0.2623 0 -0.18154 0.04427 0.87217 -0.04727 -0.28737 -1.81597 ILE_7 -4.4041 0.39253 1.88573 0.02016 -0.20878 0 0 0 0 0 0 -0.01928 0.00168 0.07338 -0.09372 0.8318 -1.5206 ILE_8 -5.69471 0.34326 2.15551 0.01994 -0.29176 0 0 0 0 0 0 0.02109 0.00534 0.07393 -0.08475 0.8318 -2.62035 GLU_9 -4.83368 0.37159 3.16038 0.00987 -1.10524 0 0 0 0 -0.34105 0 -0.17048 0.00443 2.60955 -0.10484 -1.55374 -1.95321 GLU_10 -4.35279 0.36791 2.9694 0.00767 -1.17041 0 0 0 0 -0.35637 0 -0.08305 0.05474 2.26483 -0.10093 -1.55374 -1.95274 LEU_11 -5.80261 0.44477 1.81348 0.0071 -0.45966 0 0 0 0 0 0 -0.11667 0.02242 0.19683 -0.1231 0.60233 -3.41512 ARG_12 -5.00823 0.45001 3.69359 0.01037 -1.72044 0 0 0 0 -0.52489 0 -0.23402 0.09677 1.73042 -0.09992 -0.14916 -1.75551 ARG_13 -3.2988 0.28897 2.30058 0.00772 -0.6706 0 0 0 0 -0.34105 0 -0.21896 0.09986 1.25936 -0.10685 -0.14916 -0.82893 ARG_14 -3.12035 0.19539 1.9942 0.00951 -0.84207 0 0 0 0 -0.35637 0 -0.22763 0.16983 1.56351 -0.10366 -0.14916 -0.8668 GLY_15 -1.40497 0.10918 0.86395 4e-05 0.0455 0 0 0 0 0 0 0.35998 0.05577 0 -1.10742 0.14053 -0.93745 LYS_16 -3.18739 0.07255 1.25202 0.00588 0.02882 0 0 0 0 0 0 -0.12944 0.02401 1.19992 -0.05502 -0.28737 -1.07602 ASP_17 -3.79229 0.29721 3.14237 0.0273 -0.75756 0 0 0 -0.17135 0 0 -0.02519 0.28908 1.35475 -0.40509 -1.28682 -1.32761 ASP_18 -2.93851 0.13551 2.59654 0.00332 -0.8697 0 0 0 0 -0.23673 0 -0.11999 0.05477 1.30028 0.04161 -1.28682 -1.3197 ASP_19 -4.00647 0.28126 3.30471 0.00332 -0.98354 0 0 0 0 -0.34849 0 -0.10701 0.00384 1.42449 0.04286 -1.28682 -1.67186 GLU_20 -4.48234 0.33925 3.28808 0.00509 -1.48222 0 0 0 -0.17135 -0.25421 0 -0.23101 0.02963 2.4482 -0.14406 -1.55374 -2.20867 ILE_21 -6.04455 0.7269 2.33149 0.02079 -0.29073 0 0 0 0 0 0 -0.02033 0.00734 0.08983 -0.10751 0.8318 -2.45498 ARG_22 -5.66892 0.3702 4.32761 0.01749 -1.09014 0 0 0 0 -0.34849 0 -0.06139 0.00039 2.05256 -0.10205 -0.14916 -0.6519 LYS_23 -4.28664 0.3664 2.98338 0.00536 -1.15769 0 0 0 0 -0.25421 0 -0.16728 0.00519 1.84789 -0.04385 -0.28737 -0.98884 ILE_24 -4.73092 0.52987 1.90064 0.02048 -0.17618 0 0 0 0 0 0 -0.00741 0.00388 0.09187 -0.09947 0.8318 -1.63544 LEU_25 -5.87054 0.73613 1.83295 0.00631 -0.38217 0 0 0 0 0 0 -0.10181 0.1078 0.25821 -0.12083 0.60233 -2.93162 ARG_26 -4.30392 0.43149 3.10311 0.00752 -0.83326 0 0 0 0 -0.18785 0 -0.20108 0.03765 1.27644 -0.08595 -0.14916 -0.90501 LYS_27 -2.4588 0.40011 1.34693 0.00314 -0.01177 0 0 0 0 0 0 -0.27278 0.01073 0.70613 -0.03957 -0.28737 -0.60325 LEU_28 -3.29334 0.44813 1.07947 0.00693 -0.00336 0 0 0 0 0 0 -0.20467 0.00183 0.05447 -0.08908 0.60233 -1.3973 GLY_29 -1.33124 0.31617 0.86241 2e-05 -0.00112 0 0 0 0 0 0 -0.34111 0.03785 0 -0.77862 0.14053 -1.09512 ILE_30 -3.92432 0.42108 0.85503 0.01803 -0.048 0 0 0 0 0 0 -0.24419 0.01216 0.28039 -0.33605 0.8318 -2.13407 SER_31 -2.3369 0.1913 1.66648 0.0021 -0.58084 0 0 0 -0.21135 0 0 -0.19843 0.01614 0.40691 0.05169 0.17658 -0.81632 GLU_32 -3.97096 0.28651 3.30648 0.00706 -2.08585 0 0 0 0 -0.5805 0 -0.16572 0.00027 2.4016 -0.10516 -1.55374 -2.46 ASP_33 -3.26123 0.19057 2.42408 0.00336 -0.29914 0 0 0 0 0 0 -0.08526 0.01901 1.2806 0.04576 -1.28682 -0.96905 GLU_34 -5.4719 0.35267 4.5102 0.01015 -2.42727 0 0 0 -0.55255 -0.54447 0 -0.23745 0.01902 2.47243 -0.14511 -1.55374 -3.56802 ALA_35 -4.02208 0.46259 1.71489 0.00074 -0.29586 0 0 0 0 0 0 -0.18639 0.03509 0 -0.18016 0.59294 -1.87824 ARG_36 -4.35151 0.32836 2.89318 0.00955 -1.0916 0 0 0 0 -0.39265 0 -0.19781 0.17899 1.66369 -0.08563 -0.14916 -1.19461 ARG_37 -5.18771 0.29152 3.846 0.01073 -1.07911 0 0 0 0 -0.35651 0 -0.20023 0.04186 1.55117 -0.08617 -0.14916 -1.31761 ALA_38 -4.16464 0.26508 2.19831 0.00074 -0.27833 0 0 0 0 0 0 -0.17763 0.00783 0 -0.18608 0.59294 -1.74178 GLU_39 -4.34224 0.43331 2.90448 0.00437 -0.89111 0 0 0 0 -0.28816 0 -0.23265 0.0501 3.33064 -0.12533 -1.55374 -0.71033 LYS_40 -2.82879 0.24076 1.70672 0.00307 0.03326 0 0 0 0 0 0 -0.18971 0.15613 0.83591 -0.05125 -0.28737 -0.38127 LYS_41 -2.4073 0.33546 1.98508 0.00485 -0.99844 0 0 0 0 -0.25841 0 -0.20297 0.00104 1.14051 -0.03062 -0.28737 -0.71817 LEU_42 -3.42254 0.33482 1.45062 0.00878 -0.11293 0 0 0 0 0 0 0.0108 0.00509 0.27878 -0.09135 0.60233 -0.9356 GLY:CtermProteinFull_43 -1.31981 0.05484 1.22744 0.00025 0.12259 0 0 0 0 0 0 0 0 0 0 0.14053 0.22584 #END_POSE_ENERGIES_TABLE nods_bigger.blueprint.44_try131_pass_20150324064747_0001_0001.pdb AlaCount 3 bb -0.038472 buried_minus_exposed 3500.19 buried_np 5125.1 buried_over_exposed 3.15407 cavity_volume 0 contact_all 228 contact_core_SASA 228 contact_core_SCN 228 degree 9.60465 degree_core_SASA 9.60465 degree_core_SCN 9.60465 exposed_hydrophobics 1624.9 holes 1.43266 mismatch_probability 0.108773 one_core_each 1 pack 0.583999 percent_core_SASA 0.0930016 percent_core_SCN 0.139502 res_count_core_SASA 4 res_count_core_SCN 6 ss_sc 0.781839 two_core_each 0.333333 unsat_hbond 2
HHH_rd1_0244.pdb
ATOM 1 N GLN A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA GLN A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C GLN A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O GLN A 1 1.339 2.356 -0.437 1.00 0.00 O ATOM 5 CB GLN A 1 1.994 -0.768 -1.211 1.00 0.00 C ATOM 6 CG GLN A 1 1.581 -2.230 -1.253 1.00 0.00 C ATOM 7 CD GLN A 1 2.129 -3.021 -0.081 1.00 0.00 C ATOM 8 OE1 GLN A 1 3.338 -3.033 0.167 1.00 0.00 O ATOM 9 NE2 GLN A 1 1.242 -3.687 0.649 1.00 0.00 N ATOM 10 1H GLN A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 11 2H GLN A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 12 3H GLN A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 13 HA GLN A 1 1.804 -0.495 0.908 1.00 0.00 H ATOM 14 1HB GLN A 1 1.644 -0.293 -2.127 1.00 0.00 H ATOM 15 2HB GLN A 1 3.083 -0.726 -1.216 1.00 0.00 H ATOM 16 1HG GLN A 1 0.493 -2.290 -1.228 1.00 0.00 H ATOM 17 2HG GLN A 1 1.958 -2.677 -2.173 1.00 0.00 H ATOM 18 1HE2 GLN A 1 1.545 -4.227 1.436 1.00 0.00 H ATOM 19 2HE2 GLN A 1 0.271 -3.650 0.413 1.00 0.00 H ATOM 20 N GLU A 2 3.233 1.575 0.493 1.00 0.00 N ATOM 21 CA GLU A 2 3.873 2.883 0.558 1.00 0.00 C ATOM 22 C GLU A 2 4.221 3.396 -0.833 1.00 0.00 C ATOM 23 O GLU A 2 4.198 4.601 -1.084 1.00 0.00 O ATOM 24 CB GLU A 2 5.137 2.816 1.418 1.00 0.00 C ATOM 25 CG GLU A 2 4.880 2.548 2.894 1.00 0.00 C ATOM 26 CD GLU A 2 4.033 3.608 3.542 1.00 0.00 C ATOM 27 OE1 GLU A 2 4.353 4.764 3.404 1.00 0.00 O ATOM 28 OE2 GLU A 2 3.064 3.261 4.175 1.00 0.00 O ATOM 29 H GLU A 2 3.733 0.765 0.831 1.00 0.00 H ATOM 30 HA GLU A 2 3.181 3.584 1.027 1.00 0.00 H ATOM 31 1HB GLU A 2 5.790 2.027 1.044 1.00 0.00 H ATOM 32 2HB GLU A 2 5.682 3.757 1.338 1.00 0.00 H ATOM 33 1HG GLU A 2 4.379 1.586 2.997 1.00 0.00 H ATOM 34 2HG GLU A 2 5.836 2.486 3.413 1.00 0.00 H ATOM 35 N GLU A 3 4.542 2.475 -1.735 1.00 0.00 N ATOM 36 CA GLU A 3 4.801 2.823 -3.127 1.00 0.00 C ATOM 37 C GLU A 3 3.552 3.384 -3.796 1.00 0.00 C ATOM 38 O GLU A 3 3.631 4.313 -4.600 1.00 0.00 O ATOM 39 CB GLU A 3 5.298 1.600 -3.899 1.00 0.00 C ATOM 40 CG GLU A 3 6.662 1.089 -3.456 1.00 0.00 C ATOM 41 CD GLU A 3 7.186 -0.015 -4.332 1.00 0.00 C ATOM 42 OE1 GLU A 3 7.209 0.160 -5.527 1.00 0.00 O ATOM 43 OE2 GLU A 3 7.563 -1.036 -3.806 1.00 0.00 O ATOM 44 H GLU A 3 4.608 1.509 -1.449 1.00 0.00 H ATOM 45 HA GLU A 3 5.583 3.583 -3.154 1.00 0.00 H ATOM 46 1HB GLU A 3 4.584 0.784 -3.789 1.00 0.00 H ATOM 47 2HB GLU A 3 5.360 1.839 -4.961 1.00 0.00 H ATOM 48 1HG GLU A 3 7.371 1.916 -3.471 1.00 0.00 H ATOM 49 2HG GLU A 3 6.588 0.728 -2.431 1.00 0.00 H ATOM 50 N GLU A 4 2.400 2.815 -3.459 1.00 0.00 N ATOM 51 CA GLU A 4 1.126 3.300 -3.976 1.00 0.00 C ATOM 52 C GLU A 4 0.824 4.704 -3.467 1.00 0.00 C ATOM 53 O GLU A 4 0.283 5.535 -4.195 1.00 0.00 O ATOM 54 CB GLU A 4 -0.007 2.349 -3.581 1.00 0.00 C ATOM 55 CG GLU A 4 0.058 0.983 -4.248 1.00 0.00 C ATOM 56 CD GLU A 4 -0.279 1.030 -5.712 1.00 0.00 C ATOM 57 OE1 GLU A 4 -1.355 1.470 -6.040 1.00 0.00 O ATOM 58 OE2 GLU A 4 0.540 0.626 -6.503 1.00 0.00 O ATOM 59 H GLU A 4 2.407 2.025 -2.830 1.00 0.00 H ATOM 60 HA GLU A 4 1.181 3.327 -5.064 1.00 0.00 H ATOM 61 1HB GLU A 4 0.007 2.196 -2.501 1.00 0.00 H ATOM 62 2HB GLU A 4 -0.966 2.800 -3.835 1.00 0.00 H ATOM 63 1HG GLU A 4 1.064 0.580 -4.131 1.00 0.00 H ATOM 64 2HG GLU A 4 -0.633 0.310 -3.742 1.00 0.00 H ATOM 65 N LYS A 5 1.177 4.961 -2.212 1.00 0.00 N ATOM 66 CA LYS A 5 1.021 6.289 -1.630 1.00 0.00 C ATOM 67 C LYS A 5 1.842 7.324 -2.388 1.00 0.00 C ATOM 68 O LYS A 5 1.375 8.433 -2.646 1.00 0.00 O ATOM 69 CB LYS A 5 1.423 6.277 -0.154 1.00 0.00 C ATOM 70 CG LYS A 5 0.469 5.511 0.752 1.00 0.00 C ATOM 71 CD LYS A 5 0.968 5.490 2.189 1.00 0.00 C ATOM 72 CE LYS A 5 0.058 4.658 3.080 1.00 0.00 C ATOM 73 NZ LYS A 5 0.582 4.554 4.469 1.00 0.00 N ATOM 74 H LYS A 5 1.564 4.219 -1.648 1.00 0.00 H ATOM 75 HA LYS A 5 -0.032 6.569 -1.685 1.00 0.00 H ATOM 76 1HB LYS A 5 2.413 5.832 -0.050 1.00 0.00 H ATOM 77 2HB LYS A 5 1.485 7.301 0.215 1.00 0.00 H ATOM 78 1HG LYS A 5 -0.515 5.981 0.725 1.00 0.00 H ATOM 79 2HG LYS A 5 0.372 4.486 0.395 1.00 0.00 H ATOM 80 1HD LYS A 5 1.975 5.069 2.219 1.00 0.00 H ATOM 81 2HD LYS A 5 1.008 6.508 2.576 1.00 0.00 H ATOM 82 1HE LYS A 5 -0.932 5.111 3.112 1.00 0.00 H ATOM 83 2HE LYS A 5 -0.039 3.655 2.666 1.00 0.00 H ATOM 84 1HZ LYS A 5 -0.049 3.996 5.027 1.00 0.00 H ATOM 85 2HZ LYS A 5 1.493 4.117 4.454 1.00 0.00 H ATOM 86 3HZ LYS A 5 0.659 5.477 4.871 1.00 0.00 H ATOM 87 N GLU A 6 3.067 6.954 -2.744 1.00 0.00 N ATOM 88 CA GLU A 6 3.955 7.848 -3.478 1.00 0.00 C ATOM 89 C GLU A 6 3.439 8.099 -4.889 1.00 0.00 C ATOM 90 O GLU A 6 3.525 9.215 -5.403 1.00 0.00 O ATOM 91 CB GLU A 6 5.369 7.266 -3.537 1.00 0.00 C ATOM 92 CG GLU A 6 6.117 7.297 -2.212 1.00 0.00 C ATOM 93 CD GLU A 6 6.327 8.691 -1.690 1.00 0.00 C ATOM 94 OE1 GLU A 6 6.576 9.569 -2.480 1.00 0.00 O ATOM 95 OE2 GLU A 6 6.238 8.878 -0.500 1.00 0.00 O ATOM 96 H GLU A 6 3.393 6.030 -2.499 1.00 0.00 H ATOM 97 HA GLU A 6 4.002 8.800 -2.948 1.00 0.00 H ATOM 98 1HB GLU A 6 5.322 6.230 -3.872 1.00 0.00 H ATOM 99 2HB GLU A 6 5.959 7.819 -4.268 1.00 0.00 H ATOM 100 1HG GLU A 6 5.552 6.726 -1.475 1.00 0.00 H ATOM 101 2HG GLU A 6 7.084 6.813 -2.342 1.00 0.00 H ATOM 102 N ILE A 7 2.903 7.055 -5.512 1.00 0.00 N ATOM 103 CA ILE A 7 2.309 7.177 -6.838 1.00 0.00 C ATOM 104 C ILE A 7 1.133 8.145 -6.828 1.00 0.00 C ATOM 105 O ILE A 7 0.999 8.984 -7.719 1.00 0.00 O ATOM 106 CB ILE A 7 1.840 5.805 -7.358 1.00 0.00 C ATOM 107 CG1 ILE A 7 3.045 4.908 -7.657 1.00 0.00 C ATOM 108 CG2 ILE A 7 0.977 5.973 -8.598 1.00 0.00 C ATOM 109 CD1 ILE A 7 2.688 3.453 -7.853 1.00 0.00 C ATOM 110 H ILE A 7 2.907 6.155 -5.056 1.00 0.00 H ATOM 111 HA ILE A 7 3.067 7.555 -7.524 1.00 0.00 H ATOM 112 HB ILE A 7 1.258 5.303 -6.586 1.00 0.00 H ATOM 113 1HG1 ILE A 7 3.546 5.261 -8.558 1.00 0.00 H ATOM 114 2HG1 ILE A 7 3.761 4.976 -6.838 1.00 0.00 H ATOM 115 1HG2 ILE A 7 0.655 4.994 -8.953 1.00 0.00 H ATOM 116 2HG2 ILE A 7 0.103 6.576 -8.354 1.00 0.00 H ATOM 117 3HG2 ILE A 7 1.553 6.470 -9.379 1.00 0.00 H ATOM 118 1HD1 ILE A 7 3.593 2.881 -8.060 1.00 0.00 H ATOM 119 2HD1 ILE A 7 2.216 3.069 -6.948 1.00 0.00 H ATOM 120 3HD1 ILE A 7 1.999 3.356 -8.691 1.00 0.00 H ATOM 121 N LYS A 8 0.282 8.024 -5.815 1.00 0.00 N ATOM 122 CA LYS A 8 -0.839 8.940 -5.642 1.00 0.00 C ATOM 123 C LYS A 8 -0.356 10.369 -5.430 1.00 0.00 C ATOM 124 O LYS A 8 -0.904 11.312 -6.001 1.00 0.00 O ATOM 125 CB LYS A 8 -1.714 8.501 -4.467 1.00 0.00 C ATOM 126 CG LYS A 8 -2.517 7.232 -4.721 1.00 0.00 C ATOM 127 CD LYS A 8 -3.323 6.833 -3.493 1.00 0.00 C ATOM 128 CE LYS A 8 -4.110 5.554 -3.738 1.00 0.00 C ATOM 129 NZ LYS A 8 -4.889 5.142 -2.539 1.00 0.00 N ATOM 130 H LYS A 8 0.415 7.278 -5.147 1.00 0.00 H ATOM 131 HA LYS A 8 -1.453 8.909 -6.543 1.00 0.00 H ATOM 132 1HB LYS A 8 -1.088 8.331 -3.591 1.00 0.00 H ATOM 133 2HB LYS A 8 -2.416 9.297 -4.219 1.00 0.00 H ATOM 134 1HG LYS A 8 -3.200 7.393 -5.556 1.00 0.00 H ATOM 135 2HG LYS A 8 -1.840 6.419 -4.980 1.00 0.00 H ATOM 136 1HD LYS A 8 -2.649 6.679 -2.649 1.00 0.00 H ATOM 137 2HD LYS A 8 -4.018 7.633 -3.239 1.00 0.00 H ATOM 138 1HE LYS A 8 -4.798 5.704 -4.569 1.00 0.00 H ATOM 139 2HE LYS A 8 -3.424 4.750 -4.004 1.00 0.00 H ATOM 140 1HZ LYS A 8 -5.395 4.292 -2.742 1.00 0.00 H ATOM 141 2HZ LYS A 8 -4.258 4.982 -1.766 1.00 0.00 H ATOM 142 3HZ LYS A 8 -5.542 5.872 -2.294 1.00 0.00 H ATOM 143 N ARG A 9 0.675 10.523 -4.605 1.00 0.00 N ATOM 144 CA ARG A 9 1.263 11.832 -4.350 1.00 0.00 C ATOM 145 C ARG A 9 1.788 12.460 -5.635 1.00 0.00 C ATOM 146 O ARG A 9 1.604 13.653 -5.874 1.00 0.00 O ATOM 147 CB ARG A 9 2.397 11.722 -3.342 1.00 0.00 C ATOM 148 CG ARG A 9 2.993 13.050 -2.902 1.00 0.00 C ATOM 149 CD ARG A 9 4.064 12.864 -1.890 1.00 0.00 C ATOM 150 NE ARG A 9 5.232 12.203 -2.452 1.00 0.00 N ATOM 151 CZ ARG A 9 6.165 12.813 -3.209 1.00 0.00 C ATOM 152 NH1 ARG A 9 6.054 14.093 -3.485 1.00 0.00 N ATOM 153 NH2 ARG A 9 7.192 12.123 -3.674 1.00 0.00 N ATOM 154 H ARG A 9 1.061 9.712 -4.144 1.00 0.00 H ATOM 155 HA ARG A 9 0.493 12.482 -3.933 1.00 0.00 H ATOM 156 1HB ARG A 9 2.042 11.209 -2.450 1.00 0.00 H ATOM 157 2HB ARG A 9 3.204 11.123 -3.765 1.00 0.00 H ATOM 158 1HG ARG A 9 3.421 13.561 -3.765 1.00 0.00 H ATOM 159 2HG ARG A 9 2.211 13.672 -2.463 1.00 0.00 H ATOM 160 1HD ARG A 9 4.374 13.835 -1.505 1.00 0.00 H ATOM 161 2HD ARG A 9 3.688 12.252 -1.071 1.00 0.00 H ATOM 162 HE ARG A 9 5.351 11.217 -2.261 1.00 0.00 H ATOM 163 1HH1 ARG A 9 5.269 14.620 -3.129 1.00 0.00 H ATOM 164 2HH1 ARG A 9 6.753 14.550 -4.052 1.00 0.00 H ATOM 165 1HH2 ARG A 9 7.277 11.139 -3.462 1.00 0.00 H ATOM 166 2HH2 ARG A 9 7.891 12.580 -4.241 1.00 0.00 H ATOM 167 N LEU A 10 2.444 11.650 -6.458 1.00 0.00 N ATOM 168 CA LEU A 10 2.948 12.111 -7.746 1.00 0.00 C ATOM 169 C LEU A 10 1.825 12.671 -8.609 1.00 0.00 C ATOM 170 O LEU A 10 1.957 13.745 -9.196 1.00 0.00 O ATOM 171 CB LEU A 10 3.644 10.961 -8.485 1.00 0.00 C ATOM 172 CG LEU A 10 5.005 10.534 -7.921 1.00 0.00 C ATOM 173 CD1 LEU A 10 5.440 9.229 -8.573 1.00 0.00 C ATOM 174 CD2 LEU A 10 6.026 11.635 -8.169 1.00 0.00 C ATOM 175 H LEU A 10 2.597 10.689 -6.185 1.00 0.00 H ATOM 176 HA LEU A 10 3.680 12.900 -7.569 1.00 0.00 H ATOM 177 1HB LEU A 10 2.991 10.090 -8.467 1.00 0.00 H ATOM 178 2HB LEU A 10 3.793 11.255 -9.524 1.00 0.00 H ATOM 179 HG LEU A 10 4.916 10.358 -6.849 1.00 0.00 H ATOM 180 1HD1 LEU A 10 6.407 8.926 -8.172 1.00 0.00 H ATOM 181 2HD1 LEU A 10 4.702 8.454 -8.363 1.00 0.00 H ATOM 182 3HD1 LEU A 10 5.522 9.370 -9.650 1.00 0.00 H ATOM 183 1HD2 LEU A 10 6.993 11.333 -7.768 1.00 0.00 H ATOM 184 2HD2 LEU A 10 6.117 11.812 -9.241 1.00 0.00 H ATOM 185 3HD2 LEU A 10 5.699 12.552 -7.678 1.00 0.00 H ATOM 186 N ALA A 11 0.720 11.937 -8.683 1.00 0.00 N ATOM 187 CA ALA A 11 -0.433 12.365 -9.466 1.00 0.00 C ATOM 188 C ALA A 11 -1.005 13.673 -8.935 1.00 0.00 C ATOM 189 O ALA A 11 -1.372 14.559 -9.706 1.00 0.00 O ATOM 190 CB ALA A 11 -1.503 11.283 -9.469 1.00 0.00 C ATOM 191 H ALA A 11 0.678 11.060 -8.184 1.00 0.00 H ATOM 192 HA ALA A 11 -0.114 12.516 -10.498 1.00 0.00 H ATOM 193 1HB ALA A 11 -2.357 11.617 -10.057 1.00 0.00 H ATOM 194 2HB ALA A 11 -1.096 10.370 -9.905 1.00 0.00 H ATOM 195 3HB ALA A 11 -1.822 11.085 -8.447 1.00 0.00 H ATOM 196 N LYS A 12 -1.077 13.788 -7.613 1.00 0.00 N ATOM 197 CA LYS A 12 -1.652 14.967 -6.977 1.00 0.00 C ATOM 198 C LYS A 12 -0.802 16.204 -7.237 1.00 0.00 C ATOM 199 O LYS A 12 -1.326 17.285 -7.505 1.00 0.00 O ATOM 200 CB LYS A 12 -1.808 14.742 -5.472 1.00 0.00 C ATOM 201 CG LYS A 12 -2.902 13.753 -5.094 1.00 0.00 C ATOM 202 CD LYS A 12 -2.965 13.548 -3.588 1.00 0.00 C ATOM 203 CE LYS A 12 -4.046 12.546 -3.209 1.00 0.00 C ATOM 204 NZ LYS A 12 -4.116 12.332 -1.738 1.00 0.00 N ATOM 205 H LYS A 12 -0.724 13.040 -7.034 1.00 0.00 H ATOM 206 HA LYS A 12 -2.647 15.134 -7.393 1.00 0.00 H ATOM 207 1HB LYS A 12 -0.867 14.374 -5.061 1.00 0.00 H ATOM 208 2HB LYS A 12 -2.031 15.691 -4.984 1.00 0.00 H ATOM 209 1HG LYS A 12 -3.866 14.126 -5.442 1.00 0.00 H ATOM 210 2HG LYS A 12 -2.708 12.795 -5.575 1.00 0.00 H ATOM 211 1HD LYS A 12 -2.001 13.183 -3.229 1.00 0.00 H ATOM 212 2HD LYS A 12 -3.178 14.499 -3.100 1.00 0.00 H ATOM 213 1HE LYS A 12 -5.013 12.905 -3.558 1.00 0.00 H ATOM 214 2HE LYS A 12 -3.842 11.591 -3.693 1.00 0.00 H ATOM 215 1HZ LYS A 12 -4.842 11.662 -1.529 1.00 0.00 H ATOM 216 2HZ LYS A 12 -3.229 11.980 -1.406 1.00 0.00 H ATOM 217 3HZ LYS A 12 -4.324 13.207 -1.280 1.00 0.00 H ATOM 218 N LYS A 13 0.514 16.038 -7.156 1.00 0.00 N ATOM 219 CA LYS A 13 1.436 17.162 -7.265 1.00 0.00 C ATOM 220 C LYS A 13 1.442 17.735 -8.676 1.00 0.00 C ATOM 221 O LYS A 13 1.390 18.951 -8.863 1.00 0.00 O ATOM 222 CB LYS A 13 2.850 16.736 -6.864 1.00 0.00 C ATOM 223 CG LYS A 13 3.881 17.856 -6.912 1.00 0.00 C ATOM 224 CD LYS A 13 5.190 17.430 -6.263 1.00 0.00 C ATOM 225 CE LYS A 13 6.204 18.564 -6.264 1.00 0.00 C ATOM 226 NZ LYS A 13 7.412 18.231 -5.461 1.00 0.00 N ATOM 227 H LYS A 13 0.885 15.109 -7.016 1.00 0.00 H ATOM 228 HA LYS A 13 1.115 17.941 -6.572 1.00 0.00 H ATOM 229 1HB LYS A 13 2.836 16.337 -5.849 1.00 0.00 H ATOM 230 2HB LYS A 13 3.191 15.939 -7.525 1.00 0.00 H ATOM 231 1HG LYS A 13 4.073 18.130 -7.950 1.00 0.00 H ATOM 232 2HG LYS A 13 3.494 18.730 -6.389 1.00 0.00 H ATOM 233 1HD LYS A 13 5.002 17.122 -5.233 1.00 0.00 H ATOM 234 2HD LYS A 13 5.606 16.582 -6.806 1.00 0.00 H ATOM 235 1HE LYS A 13 6.511 18.776 -7.288 1.00 0.00 H ATOM 236 2HE LYS A 13 5.746 19.463 -5.852 1.00 0.00 H ATOM 237 1HZ LYS A 13 8.058 19.007 -5.487 1.00 0.00 H ATOM 238 2HZ LYS A 13 7.141 18.051 -4.504 1.00 0.00 H ATOM 239 3HZ LYS A 13 7.857 17.410 -5.845 1.00 0.00 H ATOM 240 N PHE A 14 1.506 16.853 -9.667 1.00 0.00 N ATOM 241 CA PHE A 14 1.666 17.270 -11.055 1.00 0.00 C ATOM 242 C PHE A 14 0.351 17.163 -11.818 1.00 0.00 C ATOM 243 O PHE A 14 0.327 17.239 -13.046 1.00 0.00 O ATOM 244 CB PHE A 14 2.733 16.421 -11.748 1.00 0.00 C ATOM 245 CG PHE A 14 4.116 16.616 -11.194 1.00 0.00 C ATOM 246 CD1 PHE A 14 4.625 15.749 -10.239 1.00 0.00 C ATOM 247 CD2 PHE A 14 4.911 17.667 -11.627 1.00 0.00 C ATOM 248 CE1 PHE A 14 5.897 15.928 -9.729 1.00 0.00 C ATOM 249 CE2 PHE A 14 6.183 17.848 -11.120 1.00 0.00 C ATOM 250 CZ PHE A 14 6.676 16.977 -10.169 1.00 0.00 C ATOM 251 H PHE A 14 1.441 15.868 -9.454 1.00 0.00 H ATOM 252 HA PHE A 14 1.994 18.310 -11.068 1.00 0.00 H ATOM 253 1HB PHE A 14 2.476 15.367 -11.656 1.00 0.00 H ATOM 254 2HB PHE A 14 2.756 16.661 -12.810 1.00 0.00 H ATOM 255 HD1 PHE A 14 4.009 14.919 -9.891 1.00 0.00 H ATOM 256 HD2 PHE A 14 4.521 18.356 -12.378 1.00 0.00 H ATOM 257 HE1 PHE A 14 6.284 15.239 -8.978 1.00 0.00 H ATOM 258 HE2 PHE A 14 6.797 18.677 -11.469 1.00 0.00 H ATOM 259 HZ PHE A 14 7.678 17.119 -9.767 1.00 0.00 H ATOM 260 N ASN A 15 -0.741 16.986 -11.082 1.00 0.00 N ATOM 261 CA ASN A 15 -2.065 16.892 -11.686 1.00 0.00 C ATOM 262 C ASN A 15 -2.088 15.856 -12.803 1.00 0.00 C ATOM 263 O ASN A 15 -2.663 16.089 -13.866 1.00 0.00 O ATOM 264 CB ASN A 15 -2.513 18.246 -12.204 1.00 0.00 C ATOM 265 CG ASN A 15 -2.690 19.256 -11.104 1.00 0.00 C ATOM 266 OD1 ASN A 15 -3.261 18.951 -10.050 1.00 0.00 O ATOM 267 ND2 ASN A 15 -2.212 20.453 -11.328 1.00 0.00 N ATOM 268 H ASN A 15 -0.652 16.915 -10.078 1.00 0.00 H ATOM 269 HA ASN A 15 -2.773 16.573 -10.920 1.00 0.00 H ATOM 270 1HB ASN A 15 -1.777 18.626 -12.915 1.00 0.00 H ATOM 271 2HB ASN A 15 -3.457 18.138 -12.737 1.00 0.00 H ATOM 272 1HD2 ASN A 15 -2.301 21.166 -10.631 1.00 0.00 H ATOM 273 2HD2 ASN A 15 -1.758 20.656 -12.195 1.00 0.00 H ATOM 274 N ALA A 16 -1.460 14.712 -12.555 1.00 0.00 N ATOM 275 CA ALA A 16 -1.310 13.683 -13.577 1.00 0.00 C ATOM 276 C ALA A 16 -2.294 12.541 -13.357 1.00 0.00 C ATOM 277 O ALA A 16 -2.868 12.403 -12.278 1.00 0.00 O ATOM 278 CB ALA A 16 0.117 13.156 -13.593 1.00 0.00 C ATOM 279 H ALA A 16 -1.076 14.551 -11.634 1.00 0.00 H ATOM 280 HA ALA A 16 -1.507 14.132 -14.551 1.00 0.00 H ATOM 281 1HB ALA A 16 0.213 12.389 -14.362 1.00 0.00 H ATOM 282 2HB ALA A 16 0.805 13.974 -13.809 1.00 0.00 H ATOM 283 3HB ALA A 16 0.358 12.728 -12.621 1.00 0.00 H ATOM 284 N SER A 17 -2.483 11.724 -14.388 1.00 0.00 N ATOM 285 CA SER A 17 -3.313 10.531 -14.277 1.00 0.00 C ATOM 286 C SER A 17 -2.593 9.427 -13.513 1.00 0.00 C ATOM 287 O SER A 17 -1.371 9.457 -13.366 1.00 0.00 O ATOM 288 CB SER A 17 -3.701 10.034 -15.656 1.00 0.00 C ATOM 289 OG SER A 17 -2.579 9.571 -16.356 1.00 0.00 O ATOM 290 H SER A 17 -2.040 11.935 -15.271 1.00 0.00 H ATOM 291 HA SER A 17 -4.220 10.790 -13.729 1.00 0.00 H ATOM 292 1HB SER A 17 -4.431 9.230 -15.561 1.00 0.00 H ATOM 293 2HB SER A 17 -4.173 10.841 -16.214 1.00 0.00 H ATOM 294 HG SER A 17 -2.090 10.354 -16.621 1.00 0.00 H ATOM 295 N GLU A 18 -3.356 8.453 -13.029 1.00 0.00 N ATOM 296 CA GLU A 18 -2.787 7.312 -12.323 1.00 0.00 C ATOM 297 C GLU A 18 -1.729 6.613 -13.168 1.00 0.00 C ATOM 298 O GLU A 18 -0.640 6.304 -12.685 1.00 0.00 O ATOM 299 CB GLU A 18 -3.886 6.319 -11.940 1.00 0.00 C ATOM 300 CG GLU A 18 -3.390 5.091 -11.189 1.00 0.00 C ATOM 301 CD GLU A 18 -4.496 4.135 -10.836 1.00 0.00 C ATOM 302 OE1 GLU A 18 -5.638 4.492 -10.998 1.00 0.00 O ATOM 303 OE2 GLU A 18 -4.197 3.046 -10.405 1.00 0.00 O ATOM 304 H GLU A 18 -4.357 8.505 -13.153 1.00 0.00 H ATOM 305 HA GLU A 18 -2.320 7.671 -11.405 1.00 0.00 H ATOM 306 1HB GLU A 18 -4.626 6.818 -11.315 1.00 0.00 H ATOM 307 2HB GLU A 18 -4.396 5.976 -12.841 1.00 0.00 H ATOM 308 1HG GLU A 18 -2.659 4.571 -11.806 1.00 0.00 H ATOM 309 2HG GLU A 18 -2.891 5.414 -10.276 1.00 0.00 H ATOM 310 N GLU A 19 -2.056 6.368 -14.432 1.00 0.00 N ATOM 311 CA GLU A 19 -1.135 5.705 -15.347 1.00 0.00 C ATOM 312 C GLU A 19 0.182 6.464 -15.448 1.00 0.00 C ATOM 313 O GLU A 19 1.258 5.881 -15.317 1.00 0.00 O ATOM 314 CB GLU A 19 -1.765 5.571 -16.735 1.00 0.00 C ATOM 315 CG GLU A 19 -0.874 4.895 -17.767 1.00 0.00 C ATOM 316 CD GLU A 19 -1.521 4.793 -19.121 1.00 0.00 C ATOM 317 OE1 GLU A 19 -2.707 5.004 -19.209 1.00 0.00 O ATOM 318 OE2 GLU A 19 -0.829 4.502 -20.067 1.00 0.00 O ATOM 319 H GLU A 19 -2.967 6.647 -14.767 1.00 0.00 H ATOM 320 HA GLU A 19 -0.932 4.703 -14.968 1.00 0.00 H ATOM 321 1HB GLU A 19 -2.688 4.995 -16.661 1.00 0.00 H ATOM 322 2HB GLU A 19 -2.025 6.559 -17.113 1.00 0.00 H ATOM 323 1HG GLU A 19 0.051 5.463 -17.862 1.00 0.00 H ATOM 324 2HG GLU A 19 -0.621 3.896 -17.415 1.00 0.00 H ATOM 325 N GLU A 20 0.090 7.769 -15.682 1.00 0.00 N ATOM 326 CA GLU A 20 1.275 8.604 -15.845 1.00 0.00 C ATOM 327 C GLU A 20 2.149 8.568 -14.598 1.00 0.00 C ATOM 328 O GLU A 20 3.373 8.473 -14.689 1.00 0.00 O ATOM 329 CB GLU A 20 0.872 10.047 -16.156 1.00 0.00 C ATOM 330 CG GLU A 20 0.339 10.261 -17.565 1.00 0.00 C ATOM 331 CD GLU A 20 -0.269 11.622 -17.760 1.00 0.00 C ATOM 332 OE1 GLU A 20 -1.151 11.971 -17.013 1.00 0.00 O ATOM 333 OE2 GLU A 20 0.150 12.314 -18.658 1.00 0.00 O ATOM 334 H GLU A 20 -0.824 8.194 -15.749 1.00 0.00 H ATOM 335 HA GLU A 20 1.853 8.223 -16.688 1.00 0.00 H ATOM 336 1HB GLU A 20 0.102 10.369 -15.454 1.00 0.00 H ATOM 337 2HB GLU A 20 1.733 10.702 -16.021 1.00 0.00 H ATOM 338 1HG GLU A 20 1.156 10.135 -18.275 1.00 0.00 H ATOM 339 2HG GLU A 20 -0.411 9.500 -17.778 1.00 0.00 H ATOM 340 N ALA A 21 1.514 8.645 -13.433 1.00 0.00 N ATOM 341 CA ALA A 21 2.232 8.600 -12.165 1.00 0.00 C ATOM 342 C ALA A 21 2.937 7.263 -11.978 1.00 0.00 C ATOM 343 O ALA A 21 4.073 7.210 -11.506 1.00 0.00 O ATOM 344 CB ALA A 21 1.279 8.861 -11.008 1.00 0.00 C ATOM 345 H ALA A 21 0.508 8.737 -13.427 1.00 0.00 H ATOM 346 HA ALA A 21 2.980 9.393 -12.162 1.00 0.00 H ATOM 347 1HB ALA A 21 1.829 8.824 -10.068 1.00 0.00 H ATOM 348 2HB ALA A 21 0.825 9.845 -11.124 1.00 0.00 H ATOM 349 3HB ALA A 21 0.498 8.101 -11.001 1.00 0.00 H ATOM 350 N ARG A 22 2.258 6.184 -12.353 1.00 0.00 N ATOM 351 CA ARG A 22 2.824 4.845 -12.239 1.00 0.00 C ATOM 352 C ARG A 22 4.008 4.665 -13.182 1.00 0.00 C ATOM 353 O ARG A 22 5.013 4.054 -12.821 1.00 0.00 O ATOM 354 CB ARG A 22 1.771 3.790 -12.546 1.00 0.00 C ATOM 355 CG ARG A 22 0.709 3.616 -11.473 1.00 0.00 C ATOM 356 CD ARG A 22 -0.206 2.487 -11.783 1.00 0.00 C ATOM 357 NE ARG A 22 -1.261 2.355 -10.792 1.00 0.00 N ATOM 358 CZ ARG A 22 -1.097 1.820 -9.566 1.00 0.00 C ATOM 359 NH1 ARG A 22 0.083 1.372 -9.197 1.00 0.00 N ATOM 360 NH2 ARG A 22 -2.122 1.746 -8.735 1.00 0.00 N ATOM 361 H ARG A 22 1.326 6.294 -12.725 1.00 0.00 H ATOM 362 HA ARG A 22 3.168 4.700 -11.214 1.00 0.00 H ATOM 363 1HB ARG A 22 1.262 4.045 -13.475 1.00 0.00 H ATOM 364 2HB ARG A 22 2.255 2.825 -12.692 1.00 0.00 H ATOM 365 1HG ARG A 22 1.189 3.414 -10.515 1.00 0.00 H ATOM 366 2HG ARG A 22 0.115 4.527 -11.396 1.00 0.00 H ATOM 367 1HD ARG A 22 -0.670 2.652 -12.755 1.00 0.00 H ATOM 368 2HD ARG A 22 0.360 1.556 -11.804 1.00 0.00 H ATOM 369 HE ARG A 22 -2.183 2.689 -11.039 1.00 0.00 H ATOM 370 1HH1 ARG A 22 0.866 1.429 -9.832 1.00 0.00 H ATOM 371 2HH1 ARG A 22 0.206 0.971 -8.279 1.00 0.00 H ATOM 372 1HH2 ARG A 22 -3.029 2.090 -9.019 1.00 0.00 H ATOM 373 2HH2 ARG A 22 -1.999 1.345 -7.817 1.00 0.00 H ATOM 374 N ARG A 23 3.882 5.202 -14.390 1.00 0.00 N ATOM 375 CA ARG A 23 4.952 5.127 -15.377 1.00 0.00 C ATOM 376 C ARG A 23 6.202 5.850 -14.891 1.00 0.00 C ATOM 377 O ARG A 23 7.318 5.358 -15.056 1.00 0.00 O ATOM 378 CB ARG A 23 4.504 5.730 -16.700 1.00 0.00 C ATOM 379 CG ARG A 23 3.518 4.882 -17.489 1.00 0.00 C ATOM 380 CD ARG A 23 3.172 5.509 -18.790 1.00 0.00 C ATOM 381 NE ARG A 23 2.200 4.721 -19.530 1.00 0.00 N ATOM 382 CZ ARG A 23 2.502 3.655 -20.296 1.00 0.00 C ATOM 383 NH1 ARG A 23 3.752 3.263 -20.413 1.00 0.00 N ATOM 384 NH2 ARG A 23 1.543 3.003 -20.931 1.00 0.00 N ATOM 385 H ARG A 23 3.022 5.675 -14.632 1.00 0.00 H ATOM 386 HA ARG A 23 5.197 4.077 -15.543 1.00 0.00 H ATOM 387 1HB ARG A 23 4.035 6.696 -16.519 1.00 0.00 H ATOM 388 2HB ARG A 23 5.373 5.902 -17.335 1.00 0.00 H ATOM 389 1HG ARG A 23 3.957 3.903 -17.685 1.00 0.00 H ATOM 390 2HG ARG A 23 2.601 4.759 -16.912 1.00 0.00 H ATOM 391 1HD ARG A 23 2.749 6.498 -18.616 1.00 0.00 H ATOM 392 2HD ARG A 23 4.070 5.601 -19.400 1.00 0.00 H ATOM 393 HE ARG A 23 1.227 4.992 -19.465 1.00 0.00 H ATOM 394 1HH1 ARG A 23 4.485 3.761 -19.928 1.00 0.00 H ATOM 395 2HH1 ARG A 23 3.978 2.464 -20.987 1.00 0.00 H ATOM 396 1HH2 ARG A 23 0.583 3.305 -20.841 1.00 0.00 H ATOM 397 2HH2 ARG A 23 1.770 2.205 -21.505 1.00 0.00 H ATOM 398 N ALA A 24 6.007 7.019 -14.291 1.00 0.00 N ATOM 399 CA ALA A 24 7.108 7.770 -13.701 1.00 0.00 C ATOM 400 C ALA A 24 7.754 6.995 -12.560 1.00 0.00 C ATOM 401 O ALA A 24 8.979 6.937 -12.451 1.00 0.00 O ATOM 402 CB ALA A 24 6.622 9.126 -13.210 1.00 0.00 C ATOM 403 H ALA A 24 5.072 7.398 -14.243 1.00 0.00 H ATOM 404 HA ALA A 24 7.859 7.948 -14.472 1.00 0.00 H ATOM 405 1HB ALA A 24 7.456 9.675 -12.772 1.00 0.00 H ATOM 406 2HB ALA A 24 6.216 9.692 -14.048 1.00 0.00 H ATOM 407 3HB ALA A 24 5.847 8.984 -12.459 1.00 0.00 H ATOM 408 N TRP A 25 6.923 6.399 -11.711 1.00 0.00 N ATOM 409 CA TRP A 25 7.412 5.615 -10.583 1.00 0.00 C ATOM 410 C TRP A 25 8.255 4.437 -11.056 1.00 0.00 C ATOM 411 O TRP A 25 9.317 4.158 -10.501 1.00 0.00 O ATOM 412 CB TRP A 25 6.242 5.104 -9.741 1.00 0.00 C ATOM 413 CG TRP A 25 6.667 4.413 -8.481 1.00 0.00 C ATOM 414 CD1 TRP A 25 6.597 3.077 -8.221 1.00 0.00 C ATOM 415 CD2 TRP A 25 7.235 5.023 -7.297 1.00 0.00 C ATOM 416 NE1 TRP A 25 7.079 2.815 -6.962 1.00 0.00 N ATOM 417 CE2 TRP A 25 7.475 3.994 -6.383 1.00 0.00 C ATOM 418 CE3 TRP A 25 7.555 6.341 -6.946 1.00 0.00 C ATOM 419 CZ2 TRP A 25 8.020 4.236 -5.132 1.00 0.00 C ATOM 420 CZ3 TRP A 25 8.103 6.583 -5.692 1.00 0.00 C ATOM 421 CH2 TRP A 25 8.329 5.558 -4.809 1.00 0.00 C ATOM 422 H TRP A 25 5.927 6.493 -11.850 1.00 0.00 H ATOM 423 HA TRP A 25 8.031 6.258 -9.957 1.00 0.00 H ATOM 424 1HB TRP A 25 5.595 5.939 -9.473 1.00 0.00 H ATOM 425 2HB TRP A 25 5.647 4.406 -10.331 1.00 0.00 H ATOM 426 HD1 TRP A 25 6.215 2.327 -8.911 1.00 0.00 H ATOM 427 HE1 TRP A 25 7.132 1.903 -6.531 1.00 0.00 H ATOM 428 HE3 TRP A 25 7.380 7.159 -7.644 1.00 0.00 H ATOM 429 HZ2 TRP A 25 8.207 3.435 -4.417 1.00 0.00 H ATOM 430 HZ3 TRP A 25 8.348 7.612 -5.426 1.00 0.00 H ATOM 431 HH2 TRP A 25 8.761 5.784 -3.834 1.00 0.00 H ATOM 432 N LYS A 26 7.774 3.747 -12.085 1.00 0.00 N ATOM 433 CA LYS A 26 8.477 2.591 -12.629 1.00 0.00 C ATOM 434 C LYS A 26 9.795 3.001 -13.273 1.00 0.00 C ATOM 435 O LYS A 26 10.835 2.391 -13.024 1.00 0.00 O ATOM 436 CB LYS A 26 7.599 1.860 -13.645 1.00 0.00 C ATOM 437 CG LYS A 26 6.422 1.110 -13.036 1.00 0.00 C ATOM 438 CD LYS A 26 5.578 0.439 -14.110 1.00 0.00 C ATOM 439 CE LYS A 26 4.395 -0.301 -13.504 1.00 0.00 C ATOM 440 NZ LYS A 26 3.559 -0.960 -14.543 1.00 0.00 N ATOM 441 H LYS A 26 6.899 4.031 -12.502 1.00 0.00 H ATOM 442 HA LYS A 26 8.687 1.899 -11.812 1.00 0.00 H ATOM 443 1HB LYS A 26 7.203 2.576 -14.366 1.00 0.00 H ATOM 444 2HB LYS A 26 8.204 1.140 -14.198 1.00 0.00 H ATOM 445 1HG LYS A 26 6.791 0.349 -12.348 1.00 0.00 H ATOM 446 2HG LYS A 26 5.797 1.806 -12.478 1.00 0.00 H ATOM 447 1HD LYS A 26 5.207 1.193 -14.805 1.00 0.00 H ATOM 448 2HD LYS A 26 6.193 -0.270 -14.664 1.00 0.00 H ATOM 449 1HE LYS A 26 4.757 -1.060 -12.811 1.00 0.00 H ATOM 450 2HE LYS A 26 3.774 0.400 -12.947 1.00 0.00 H ATOM 451 1HZ LYS A 26 2.787 -1.439 -14.102 1.00 0.00 H ATOM 452 2HZ LYS A 26 3.202 -0.263 -15.181 1.00 0.00 H ATOM 453 3HZ LYS A 26 4.120 -1.627 -15.054 1.00 0.00 H ATOM 454 N LYS A 27 9.745 4.037 -14.103 1.00 0.00 N ATOM 455 CA LYS A 27 10.934 4.526 -14.791 1.00 0.00 C ATOM 456 C LYS A 27 11.957 5.072 -13.803 1.00 0.00 C ATOM 457 O LYS A 27 13.162 5.017 -14.049 1.00 0.00 O ATOM 458 CB LYS A 27 10.558 5.604 -15.809 1.00 0.00 C ATOM 459 CG LYS A 27 9.829 5.081 -17.039 1.00 0.00 C ATOM 460 CD LYS A 27 9.488 6.209 -18.001 1.00 0.00 C ATOM 461 CE LYS A 27 8.776 5.685 -19.240 1.00 0.00 C ATOM 462 NZ LYS A 27 8.455 6.776 -20.200 1.00 0.00 N ATOM 463 H LYS A 27 8.860 4.499 -14.261 1.00 0.00 H ATOM 464 HA LYS A 27 11.383 3.695 -15.337 1.00 0.00 H ATOM 465 1HB LYS A 27 9.920 6.348 -15.333 1.00 0.00 H ATOM 466 2HB LYS A 27 11.460 6.115 -16.147 1.00 0.00 H ATOM 467 1HG LYS A 27 10.458 4.353 -17.554 1.00 0.00 H ATOM 468 2HG LYS A 27 8.908 4.585 -16.732 1.00 0.00 H ATOM 469 1HD LYS A 27 8.843 6.932 -17.500 1.00 0.00 H ATOM 470 2HD LYS A 27 10.403 6.715 -18.307 1.00 0.00 H ATOM 471 1HE LYS A 27 9.407 4.952 -19.739 1.00 0.00 H ATOM 472 2HE LYS A 27 7.849 5.193 -18.946 1.00 0.00 H ATOM 473 1HZ LYS A 27 7.985 6.388 -21.006 1.00 0.00 H ATOM 474 2HZ LYS A 27 7.854 7.453 -19.753 1.00 0.00 H ATOM 475 3HZ LYS A 27 9.309 7.227 -20.495 1.00 0.00 H ATOM 476 N ALA A 28 11.469 5.598 -12.685 1.00 0.00 N ATOM 477 CA ALA A 28 12.342 6.122 -11.641 1.00 0.00 C ATOM 478 C ALA A 28 13.072 4.999 -10.917 1.00 0.00 C ATOM 479 O ALA A 28 14.117 5.218 -10.305 1.00 0.00 O ATOM 480 CB ALA A 28 11.542 6.957 -10.651 1.00 0.00 C ATOM 481 H ALA A 28 10.469 5.635 -12.554 1.00 0.00 H ATOM 482 HA ALA A 28 13.091 6.758 -12.114 1.00 0.00 H ATOM 483 1HB ALA A 28 12.207 7.342 -9.879 1.00 0.00 H ATOM 484 2HB ALA A 28 11.073 7.791 -11.174 1.00 0.00 H ATOM 485 3HB ALA A 28 10.773 6.338 -10.192 1.00 0.00 H ATOM 486 N GLY A 29 12.516 3.794 -10.991 1.00 0.00 N ATOM 487 CA GLY A 29 13.063 2.652 -10.268 1.00 0.00 C ATOM 488 C GLY A 29 12.670 2.692 -8.797 1.00 0.00 C ATOM 489 O GLY A 29 13.388 2.178 -7.939 1.00 0.00 O ATOM 490 H GLY A 29 11.693 3.667 -11.563 1.00 0.00 H ATOM 491 1HA GLY A 29 12.701 1.728 -10.720 1.00 0.00 H ATOM 492 2HA GLY A 29 14.148 2.650 -10.359 1.00 0.00 H ATOM 493 N GLY A 30 11.527 3.306 -8.511 1.00 0.00 N ATOM 494 CA GLY A 30 11.057 3.450 -7.139 1.00 0.00 C ATOM 495 C GLY A 30 11.708 4.646 -6.456 1.00 0.00 C ATOM 496 O GLY A 30 11.821 4.688 -5.231 1.00 0.00 O ATOM 497 H GLY A 30 10.969 3.683 -9.264 1.00 0.00 H ATOM 498 1HA GLY A 30 9.973 3.570 -7.136 1.00 0.00 H ATOM 499 2HA GLY A 30 11.281 2.542 -6.581 1.00 0.00 H ATOM 500 N ASP A 31 12.134 5.617 -7.256 1.00 0.00 N ATOM 501 CA ASP A 31 12.748 6.830 -6.728 1.00 0.00 C ATOM 502 C ASP A 31 11.790 8.011 -6.806 1.00 0.00 C ATOM 503 O ASP A 31 11.516 8.530 -7.888 1.00 0.00 O ATOM 504 CB ASP A 31 14.034 7.157 -7.492 1.00 0.00 C ATOM 505 CG ASP A 31 14.741 8.396 -6.959 1.00 0.00 C ATOM 506 OD1 ASP A 31 14.293 8.934 -5.975 1.00 0.00 O ATOM 507 OD2 ASP A 31 15.722 8.791 -7.542 1.00 0.00 O ATOM 508 H ASP A 31 12.031 5.513 -8.255 1.00 0.00 H ATOM 509 HA ASP A 31 12.999 6.663 -5.680 1.00 0.00 H ATOM 510 1HB ASP A 31 14.719 6.311 -7.431 1.00 0.00 H ATOM 511 2HB ASP A 31 13.801 7.314 -8.546 1.00 0.00 H ATOM 512 N PRO A 32 11.283 8.432 -5.652 1.00 0.00 N ATOM 513 CA PRO A 32 10.351 9.552 -5.588 1.00 0.00 C ATOM 514 C PRO A 32 10.905 10.772 -6.313 1.00 0.00 C ATOM 515 O PRO A 32 10.192 11.434 -7.067 1.00 0.00 O ATOM 516 CB PRO A 32 10.217 9.802 -4.082 1.00 0.00 C ATOM 517 CG PRO A 32 10.422 8.460 -3.468 1.00 0.00 C ATOM 518 CD PRO A 32 11.505 7.828 -4.302 1.00 0.00 C ATOM 519 HA PRO A 32 9.418 9.254 -6.067 1.00 0.00 H ATOM 520 1HB PRO A 32 10.965 10.540 -3.755 1.00 0.00 H ATOM 521 2HB PRO A 32 9.227 10.227 -3.858 1.00 0.00 H ATOM 522 1HG PRO A 32 10.708 8.565 -2.411 1.00 0.00 H ATOM 523 2HG PRO A 32 9.484 7.886 -3.488 1.00 0.00 H ATOM 524 1HD PRO A 32 12.489 8.102 -3.894 1.00 0.00 H ATOM 525 2HD PRO A 32 11.376 6.736 -4.305 1.00 0.00 H ATOM 526 N GLU A 33 12.180 11.064 -6.080 1.00 0.00 N ATOM 527 CA GLU A 33 12.808 12.254 -6.641 1.00 0.00 C ATOM 528 C GLU A 33 12.792 12.220 -8.164 1.00 0.00 C ATOM 529 O GLU A 33 12.317 13.153 -8.811 1.00 0.00 O ATOM 530 CB GLU A 33 14.248 12.385 -6.139 1.00 0.00 C ATOM 531 CG GLU A 33 14.996 13.593 -6.684 1.00 0.00 C ATOM 532 CD GLU A 33 16.400 13.699 -6.155 1.00 0.00 C ATOM 533 OE1 GLU A 33 16.660 13.166 -5.103 1.00 0.00 O ATOM 534 OE2 GLU A 33 17.213 14.313 -6.805 1.00 0.00 O ATOM 535 H GLU A 33 12.728 10.446 -5.499 1.00 0.00 H ATOM 536 HA GLU A 33 12.251 13.130 -6.305 1.00 0.00 H ATOM 537 1HB GLU A 33 14.249 12.453 -5.051 1.00 0.00 H ATOM 538 2HB GLU A 33 14.810 11.492 -6.412 1.00 0.00 H ATOM 539 1HG GLU A 33 15.034 13.525 -7.770 1.00 0.00 H ATOM 540 2HG GLU A 33 14.446 14.496 -6.422 1.00 0.00 H ATOM 541 N THR A 34 13.314 11.138 -8.731 1.00 0.00 N ATOM 542 CA THR A 34 13.370 10.984 -10.180 1.00 0.00 C ATOM 543 C THR A 34 11.972 10.966 -10.786 1.00 0.00 C ATOM 544 O THR A 34 11.736 11.552 -11.843 1.00 0.00 O ATOM 545 CB THR A 34 14.120 9.697 -10.572 1.00 0.00 C ATOM 546 OG1 THR A 34 15.478 9.776 -10.120 1.00 0.00 O ATOM 547 CG2 THR A 34 14.103 9.509 -12.082 1.00 0.00 C ATOM 548 H THR A 34 13.682 10.403 -8.144 1.00 0.00 H ATOM 549 HA THR A 34 13.921 11.827 -10.597 1.00 0.00 H ATOM 550 HB THR A 34 13.643 8.839 -10.100 1.00 0.00 H ATOM 551 HG1 THR A 34 15.544 9.393 -9.242 1.00 0.00 H ATOM 552 1HG2 THR A 34 14.637 8.595 -12.340 1.00 0.00 H ATOM 553 2HG2 THR A 34 13.072 9.437 -12.428 1.00 0.00 H ATOM 554 3HG2 THR A 34 14.587 10.359 -12.560 1.00 0.00 H ATOM 555 N ALA A 35 11.049 10.291 -10.111 1.00 0.00 N ATOM 556 CA ALA A 35 9.673 10.191 -10.584 1.00 0.00 C ATOM 557 C ALA A 35 9.042 11.569 -10.737 1.00 0.00 C ATOM 558 O ALA A 35 8.332 11.833 -11.707 1.00 0.00 O ATOM 559 CB ALA A 35 8.847 9.333 -9.637 1.00 0.00 C ATOM 560 H ALA A 35 11.306 9.834 -9.247 1.00 0.00 H ATOM 561 HA ALA A 35 9.677 9.699 -11.557 1.00 0.00 H ATOM 562 1HB ALA A 35 7.823 9.269 -10.004 1.00 0.00 H ATOM 563 2HB ALA A 35 9.277 8.333 -9.583 1.00 0.00 H ATOM 564 3HB ALA A 35 8.849 9.782 -8.645 1.00 0.00 H ATOM 565 N GLU A 36 9.306 12.445 -9.773 1.00 0.00 N ATOM 566 CA GLU A 36 8.840 13.825 -9.844 1.00 0.00 C ATOM 567 C GLU A 36 9.473 14.561 -11.018 1.00 0.00 C ATOM 568 O GLU A 36 8.806 15.324 -11.716 1.00 0.00 O ATOM 569 CB GLU A 36 9.154 14.561 -8.539 1.00 0.00 C ATOM 570 CG GLU A 36 8.331 14.101 -7.344 1.00 0.00 C ATOM 571 CD GLU A 36 8.568 14.934 -6.115 1.00 0.00 C ATOM 572 OE1 GLU A 36 8.993 16.056 -6.254 1.00 0.00 O ATOM 573 OE2 GLU A 36 8.324 14.448 -5.036 1.00 0.00 O ATOM 574 H GLU A 36 9.842 12.147 -8.971 1.00 0.00 H ATOM 575 HA GLU A 36 7.758 13.818 -9.977 1.00 0.00 H ATOM 576 1HB GLU A 36 10.207 14.428 -8.291 1.00 0.00 H ATOM 577 2HB GLU A 36 8.981 15.629 -8.673 1.00 0.00 H ATOM 578 1HG GLU A 36 7.274 14.150 -7.604 1.00 0.00 H ATOM 579 2HG GLU A 36 8.575 13.063 -7.126 1.00 0.00 H ATOM 580 N LYS A 37 10.763 14.326 -11.230 1.00 0.00 N ATOM 581 CA LYS A 37 11.484 14.952 -12.332 1.00 0.00 C ATOM 582 C LYS A 37 10.934 14.500 -13.678 1.00 0.00 C ATOM 583 O LYS A 37 10.879 15.278 -14.630 1.00 0.00 O ATOM 584 CB LYS A 37 12.979 14.638 -12.241 1.00 0.00 C ATOM 585 CG LYS A 37 13.697 15.322 -11.086 1.00 0.00 C ATOM 586 CD LYS A 37 15.157 14.902 -11.016 1.00 0.00 C ATOM 587 CE LYS A 37 15.877 15.588 -9.865 1.00 0.00 C ATOM 588 NZ LYS A 37 17.282 15.116 -9.727 1.00 0.00 N ATOM 589 H LYS A 37 11.257 13.698 -10.613 1.00 0.00 H ATOM 590 HA LYS A 37 11.367 16.034 -12.252 1.00 0.00 H ATOM 591 1HB LYS A 37 13.118 13.562 -12.132 1.00 0.00 H ATOM 592 2HB LYS A 37 13.470 14.939 -13.167 1.00 0.00 H ATOM 593 1HG LYS A 37 13.644 16.404 -11.214 1.00 0.00 H ATOM 594 2HG LYS A 37 13.207 15.062 -10.148 1.00 0.00 H ATOM 595 1HD LYS A 37 15.219 13.821 -10.880 1.00 0.00 H ATOM 596 2HD LYS A 37 15.655 15.162 -11.950 1.00 0.00 H ATOM 597 1HE LYS A 37 15.884 16.665 -10.030 1.00 0.00 H ATOM 598 2HE LYS A 37 15.348 15.389 -8.934 1.00 0.00 H ATOM 599 1HZ LYS A 37 17.724 15.594 -8.954 1.00 0.00 H ATOM 600 2HZ LYS A 37 17.288 14.121 -9.554 1.00 0.00 H ATOM 601 3HZ LYS A 37 17.789 15.313 -10.578 1.00 0.00 H ATOM 602 N ILE A 38 10.528 13.237 -13.752 1.00 0.00 N ATOM 603 CA ILE A 38 9.931 12.694 -14.965 1.00 0.00 C ATOM 604 C ILE A 38 8.630 13.409 -15.307 1.00 0.00 C ATOM 605 O ILE A 38 8.424 13.834 -16.444 1.00 0.00 O ATOM 606 CB ILE A 38 9.664 11.185 -14.818 1.00 0.00 C ATOM 607 CG1 ILE A 38 10.985 10.412 -14.764 1.00 0.00 C ATOM 608 CG2 ILE A 38 8.797 10.684 -15.963 1.00 0.00 C ATOM 609 CD1 ILE A 38 10.832 8.973 -14.328 1.00 0.00 C ATOM 610 H ILE A 38 10.636 12.638 -12.945 1.00 0.00 H ATOM 611 HA ILE A 38 10.633 12.832 -15.789 1.00 0.00 H ATOM 612 HB ILE A 38 9.150 10.996 -13.876 1.00 0.00 H ATOM 613 1HG1 ILE A 38 11.453 10.423 -15.748 1.00 0.00 H ATOM 614 2HG1 ILE A 38 11.667 10.906 -14.073 1.00 0.00 H ATOM 615 1HG2 ILE A 38 8.619 9.615 -15.844 1.00 0.00 H ATOM 616 2HG2 ILE A 38 7.845 11.213 -15.957 1.00 0.00 H ATOM 617 3HG2 ILE A 38 9.306 10.863 -16.910 1.00 0.00 H ATOM 618 1HD1 ILE A 38 11.811 8.491 -14.314 1.00 0.00 H ATOM 619 2HD1 ILE A 38 10.397 8.939 -13.329 1.00 0.00 H ATOM 620 3HD1 ILE A 38 10.181 8.448 -15.026 1.00 0.00 H ATOM 621 N LEU A 39 7.754 13.539 -14.316 1.00 0.00 N ATOM 622 CA LEU A 39 6.470 14.202 -14.511 1.00 0.00 C ATOM 623 C LEU A 39 6.651 15.696 -14.746 1.00 0.00 C ATOM 624 O LEU A 39 5.885 16.315 -15.483 1.00 0.00 O ATOM 625 CB LEU A 39 5.567 13.975 -13.292 1.00 0.00 C ATOM 626 CG LEU A 39 5.084 12.535 -13.080 1.00 0.00 C ATOM 627 CD1 LEU A 39 4.292 12.450 -11.782 1.00 0.00 C ATOM 628 CD2 LEU A 39 4.235 12.104 -14.267 1.00 0.00 C ATOM 629 H LEU A 39 7.984 13.169 -13.405 1.00 0.00 H ATOM 630 HA LEU A 39 5.985 13.767 -15.385 1.00 0.00 H ATOM 631 1HB LEU A 39 6.109 14.278 -12.397 1.00 0.00 H ATOM 632 2HB LEU A 39 4.686 14.609 -13.390 1.00 0.00 H ATOM 633 HG LEU A 39 5.945 11.872 -12.990 1.00 0.00 H ATOM 634 1HD1 LEU A 39 3.949 11.426 -11.632 1.00 0.00 H ATOM 635 2HD1 LEU A 39 4.929 12.744 -10.948 1.00 0.00 H ATOM 636 3HD1 LEU A 39 3.432 13.116 -11.836 1.00 0.00 H ATOM 637 1HD2 LEU A 39 3.892 11.080 -14.117 1.00 0.00 H ATOM 638 2HD2 LEU A 39 3.373 12.766 -14.357 1.00 0.00 H ATOM 639 3HD2 LEU A 39 4.831 12.158 -15.179 1.00 0.00 H ATOM 640 N LYS A 40 7.670 16.270 -14.114 1.00 0.00 N ATOM 641 CA LYS A 40 8.024 17.666 -14.342 1.00 0.00 C ATOM 642 C LYS A 40 8.401 17.908 -15.797 1.00 0.00 C ATOM 643 O LYS A 40 7.946 18.871 -16.414 1.00 0.00 O ATOM 644 CB LYS A 40 9.174 18.083 -13.424 1.00 0.00 C ATOM 645 CG LYS A 40 9.590 19.541 -13.561 1.00 0.00 C ATOM 646 CD LYS A 40 10.693 19.896 -12.575 1.00 0.00 C ATOM 647 CE LYS A 40 11.135 21.343 -12.734 1.00 0.00 C ATOM 648 NZ LYS A 40 12.214 21.705 -11.775 1.00 0.00 N ATOM 649 H LYS A 40 8.213 15.725 -13.460 1.00 0.00 H ATOM 650 HA LYS A 40 7.161 18.286 -14.096 1.00 0.00 H ATOM 651 1HB LYS A 40 8.891 17.912 -12.385 1.00 0.00 H ATOM 652 2HB LYS A 40 10.048 17.465 -13.632 1.00 0.00 H ATOM 653 1HG LYS A 40 9.948 19.724 -14.575 1.00 0.00 H ATOM 654 2HG LYS A 40 8.730 20.184 -13.377 1.00 0.00 H ATOM 655 1HD LYS A 40 10.334 19.744 -11.556 1.00 0.00 H ATOM 656 2HD LYS A 40 11.552 19.245 -12.739 1.00 0.00 H ATOM 657 1HE LYS A 40 11.499 21.503 -13.748 1.00 0.00 H ATOM 658 2HE LYS A 40 10.284 22.004 -12.569 1.00 0.00 H ATOM 659 1HZ LYS A 40 12.478 22.670 -11.912 1.00 0.00 H ATOM 660 2HZ LYS A 40 11.881 21.578 -10.829 1.00 0.00 H ATOM 661 3HZ LYS A 40 13.016 21.112 -11.931 1.00 0.00 H ATOM 662 N LYS A 41 9.235 17.029 -16.342 1.00 0.00 N ATOM 663 CA LYS A 41 9.640 17.121 -17.739 1.00 0.00 C ATOM 664 C LYS A 41 8.481 16.794 -18.672 1.00 0.00 C ATOM 665 O LYS A 41 8.362 17.367 -19.755 1.00 0.00 O ATOM 666 CB LYS A 41 10.819 16.187 -18.018 1.00 0.00 C ATOM 667 CG LYS A 41 12.131 16.621 -17.377 1.00 0.00 C ATOM 668 CD LYS A 41 13.243 15.624 -17.666 1.00 0.00 C ATOM 669 CE LYS A 41 14.553 16.052 -17.022 1.00 0.00 C ATOM 670 NZ LYS A 41 15.645 15.075 -17.277 1.00 0.00 N ATOM 671 H LYS A 41 9.598 16.277 -15.773 1.00 0.00 H ATOM 672 HA LYS A 41 9.971 18.141 -17.937 1.00 0.00 H ATOM 673 1HB LYS A 41 10.584 15.186 -17.654 1.00 0.00 H ATOM 674 2HB LYS A 41 10.980 16.114 -19.094 1.00 0.00 H ATOM 675 1HG LYS A 41 12.420 17.598 -17.766 1.00 0.00 H ATOM 676 2HG LYS A 41 11.999 16.703 -16.299 1.00 0.00 H ATOM 677 1HD LYS A 41 12.962 14.643 -17.282 1.00 0.00 H ATOM 678 2HD LYS A 41 13.389 15.544 -18.744 1.00 0.00 H ATOM 679 1HE LYS A 41 14.851 17.023 -17.415 1.00 0.00 H ATOM 680 2HE LYS A 41 14.414 16.149 -15.945 1.00 0.00 H ATOM 681 1HZ LYS A 41 16.495 15.395 -16.834 1.00 0.00 H ATOM 682 2HZ LYS A 41 15.387 14.174 -16.899 1.00 0.00 H ATOM 683 3HZ LYS A 41 15.797 14.991 -18.272 1.00 0.00 H ATOM 684 N LYS A 42 7.628 15.869 -18.245 1.00 0.00 N ATOM 685 CA LYS A 42 6.448 15.501 -19.018 1.00 0.00 C ATOM 686 C LYS A 42 5.562 16.711 -19.282 1.00 0.00 C ATOM 687 O LYS A 42 5.301 17.063 -20.432 1.00 0.00 O ATOM 688 CB LYS A 42 5.651 14.414 -18.295 1.00 0.00 C ATOM 689 CG LYS A 42 4.394 13.963 -19.026 1.00 0.00 C ATOM 690 CD LYS A 42 3.557 13.030 -18.163 1.00 0.00 C ATOM 691 CE LYS A 42 2.746 13.804 -17.135 1.00 0.00 C ATOM 692 NZ LYS A 42 1.645 14.582 -17.766 1.00 0.00 N ATOM 693 H LYS A 42 7.801 15.410 -17.362 1.00 0.00 H ATOM 694 HA LYS A 42 6.775 15.092 -19.975 1.00 0.00 H ATOM 695 1HB LYS A 42 6.283 13.538 -18.145 1.00 0.00 H ATOM 696 2HB LYS A 42 5.354 14.775 -17.310 1.00 0.00 H ATOM 697 1HG LYS A 42 3.794 14.835 -19.290 1.00 0.00 H ATOM 698 2HG LYS A 42 4.672 13.444 -19.943 1.00 0.00 H ATOM 699 1HD LYS A 42 2.877 12.460 -18.798 1.00 0.00 H ATOM 700 2HD LYS A 42 4.212 12.330 -17.643 1.00 0.00 H ATOM 701 1HE LYS A 42 2.317 13.110 -16.414 1.00 0.00 H ATOM 702 2HE LYS A 42 3.399 14.492 -16.599 1.00 0.00 H ATOM 703 1HZ LYS A 42 1.132 15.080 -17.052 1.00 0.00 H ATOM 704 2HZ LYS A 42 2.034 15.243 -18.424 1.00 0.00 H ATOM 705 3HZ LYS A 42 1.022 13.952 -18.250 1.00 0.00 H ATOM 706 N GLY A 43 5.101 17.346 -18.209 1.00 0.00 N ATOM 707 CA GLY A 43 4.210 18.495 -18.322 1.00 0.00 C ATOM 708 C GLY A 43 2.750 18.061 -18.334 1.00 0.00 C ATOM 709 O GLY A 43 2.422 16.966 -18.792 1.00 0.00 O ATOM 710 OXT GLY A 43 1.904 18.789 -17.893 1.00 0.00 O ATOM 711 H GLY A 43 5.375 17.024 -17.292 1.00 0.00 H ATOM 712 1HA GLY A 43 4.385 19.174 -17.488 1.00 0.00 H ATOM 713 2HA GLY A 43 4.438 19.043 -19.236 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE nods_bigger.blueprint.34_try72_pass_20150323184359_0001_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 rama omega fa_dun p_aa_pp ref total weights 0.8 0.44 0.75 0.004 0.7 1 1.17 1.17 1.17 1.1 1 0.2 0.5 0.56 0.32 1 NA pose -167.573 15.4706 95.8856 0.26231 -26.7909 0.05394 -22.2678 -2.09572 -1.30404 -9.34862 0 -6.54979 1.80665 46.7818 -5.64143 -12.3824 -93.6924 GLN:NtermProteinFull_1 -2.00987 0.13132 1.28158 0.00565 0.09013 0 0 0 0 0 0 0 0.0007 1.53335 0 -1.17797 -0.1451 GLU_2 -2.72242 0.19678 2.1064 0.005 -0.9176 0 0 0 0 -0.17282 0 -0.26393 0.10234 2.33027 -0.1584 -1.55374 -1.04811 GLU_3 -3.6766 0.34705 2.13506 0.0031 -0.32741 0 0 0 0 -0.54667 0 -0.24985 0.04699 3.15897 -0.12587 -1.55374 -0.78897 GLU_4 -4.27565 0.34058 3.06077 0.00389 -1.35099 0 0 0 0 -0.84115 0 -0.2517 0.07647 2.63834 -0.13607 -1.55374 -2.28926 LYS_5 -4.09503 0.2669 2.85356 0.00314 -1.12807 0 0 0 0 -0.17282 0 -0.18867 0.00023 0.86714 -0.04826 -0.28737 -1.92924 GLU_6 -4.9884 0.3669 3.29293 0.00554 -1.20862 0 0 0 0 -0.49154 0 -0.23639 0.05321 2.49755 -0.14664 -1.55374 -2.4092 ILE_7 -5.90187 0.48082 2.59463 0.02066 -0.23253 0 0 0 0 0 0 -0.02783 0.07292 0.12683 -0.06969 0.8318 -2.10424 LYS_8 -3.558 0.29361 1.97678 0.00309 -0.29857 0 0 0 0 0 0 -0.18216 0.02163 0.83942 -0.04635 -0.28737 -1.23793 ARG_9 -4.94598 0.30529 4.12459 0.01315 -2.00982 0 0 0 0 -1.00839 0 -0.16445 0.03492 1.60341 -0.09147 -0.14916 -2.28789 LEU_10 -5.74024 0.76575 2.07071 0.00623 -0.23488 0 0 0 0 0 0 -0.03929 0.0014 0.57493 -0.10742 0.60233 -2.10048 ALA_11 -3.87815 0.25656 2.05141 0.00074 -0.18437 0 0 0 0 0 0 -0.16599 0.02898 0 -0.18127 0.59294 -1.47915 LYS_12 -2.70364 0.19739 1.56819 0.00308 0.07223 0 0 0 0 0 0 -0.19765 0.15202 0.80323 -0.04148 -0.28737 -0.434 LYS_13 -3.38993 0.21087 2.12631 0.00496 -0.87592 0 0 0 0 -0.23933 0 -0.13691 0.23184 1.22117 -0.03895 -0.28737 -1.17327 PHE_14 -5.82443 0.59964 1.66642 0.02384 -0.17434 0 0 0 0 0 0 -0.14333 0.00618 1.35536 -0.12904 0.43057 -2.18911 ASN_15 -1.71642 0.27224 1.32577 0.00473 0.02135 0 0 0 0 0 0 -0.28153 0.13776 1.31133 -0.58165 -0.94198 -0.4484 ALA_16 -2.62937 0.23178 1.41242 0.00063 0.01033 0 0 0 0 0 0 0.05863 0.12792 0 0.13804 0.59294 -0.05668 SER_17 -2.93109 0.30073 2.36184 0.00149 -0.90565 0 0 0 -0.58611 -0.33242 0 -0.28129 0.02766 0.10722 -0.23592 0.17658 -2.29697 GLU_18 -2.89934 0.33786 2.07495 0.0073 -0.94283 0 0 0 0 -0.55023 0 -0.10883 0 2.16849 -0.09015 -1.55374 -1.55652 GLU_19 -3.4756 0.38363 2.41525 0.00736 -0.94784 0 0 0 0 -0.4884 0 -0.08846 0.02104 2.17239 -0.10726 -1.55374 -1.66164 GLU_20 -4.96371 0.35657 3.63898 0.00296 -1.87818 0 0 0 -0.58611 -0.54859 0 -0.1976 0.00486 2.92931 -0.09923 -1.55374 -2.89448 ALA_21 -4.23076 0.22107 1.72821 0.00074 -0.28061 0 0 0 0 0 0 -0.17241 0.00183 0 -0.17748 0.59294 -2.31647 ARG_22 -5.92157 0.49531 4.04474 0.01023 -2.33616 0 0 0 0 -1.39137 0 -0.20033 0.00914 1.76279 -0.09081 -0.14916 -3.76717 ARG_23 -4.35661 0.30297 2.82649 0.00955 -1.01947 0 0 0 0 -0.4884 0 -0.1852 0.08611 1.68835 -0.08543 -0.14916 -1.37081 ALA_24 -4.36972 0.30301 1.66897 0.00073 -0.21678 0 0 0 0 0 0 -0.13335 0.00177 0 -0.16179 0.59294 -2.31423 TRP_25 -8.14884 0.53668 3.03102 0.02281 -0.62786 0 0 0 0 -0.54667 0 -0.13215 0.00109 1.66258 -0.02331 0.92933 -3.29531 LYS_26 -2.91619 0.32853 1.62086 0.00306 -0.11006 0 0 0 0 0 0 -0.11842 0.00065 0.89179 -0.03375 -0.28737 -0.62092 LYS_27 -2.48935 0.31824 1.20863 0.00309 0.0296 0 0 0 0 0 0 -0.26554 0.01459 0.7362 -0.03853 -0.28737 -0.77044 ALA_28 -3.77472 0.52999 1.60064 0.00083 -0.04471 0 0 0 0 0 0 -0.28417 0.09011 0 -0.06126 0.59294 -1.35035 GLY_29 -1.31092 0.28012 0.83225 2e-05 -0.03281 0 0 0 0 0 0 -0.35267 0.01831 0 -0.7692 0.14053 -1.19438 GLY_30 -2.07228 0.29307 0.95928 1e-05 -0.10189 0 0 0 0 0 0 -0.35477 0.00968 0 -0.79469 0.14053 -1.92107 ASP_31 -4.69195 0.61109 3.55273 0.01194 -0.96092 0.00502 0 0 0 -0.27873 0 -0.10867 0.00011 1.55486 -0.2313 -1.28682 -1.82265 PRO_32 -3.64023 0.61187 2.00191 0.00091 -0.01431 0.04892 0 0 0 0 0 0.10562 0.08321 0.08089 -0.11485 -0.21929 -1.05535 GLU_33 -3.50743 0.37451 2.69127 0.00702 -0.77421 0 0 0 0 0 0 -0.04545 0.00107 2.2895 -0.11019 -1.55374 -0.62766 THR_34 -4.26908 0.46153 2.55608 0.01014 -0.72481 0 0 0 0 -0.27873 0 -0.04919 0.00027 0.08472 0.11516 0.16454 -1.92937 ALA_35 -4.85352 0.45539 1.91552 0.00074 -0.30337 0 0 0 0 0 0 -0.15865 0.09048 0 -0.18671 0.59294 -2.44718 GLU_36 -5.57534 0.68345 3.89659 0.00425 -2.17057 0 0 0 0 -0.75618 0 -0.22676 0.0039 2.63185 -0.11765 -1.55374 -3.18021 LYS_37 -4.14009 0.25687 2.59126 0.00314 -0.68278 0 0 0 0 0 0 -0.24667 0.03265 0.77223 -0.03964 -0.28737 -1.7404 ILE_38 -4.93673 0.43709 1.87607 0.02046 -0.30636 0 0 0 0 0 0 0.00651 2e-05 0.09002 -0.13207 0.8318 -2.11317 LEU_39 -5.79834 0.43369 1.57959 0.00763 -0.19608 0 0 0 0 0 0 -0.1455 0.14475 0.13106 -0.12665 0.60233 -3.36752 LYS_40 -3.01992 0.23923 1.50992 0.00537 -0.02439 0 0 0 0 0 0 -0.145 0.02118 0.86317 -0.03649 -0.28737 -0.8743 LYS_41 -2.14747 0.23286 1.26538 0.00311 0.02032 0 0 0 0 0 0 -0.25677 0.02919 0.72199 -0.02758 -0.28737 -0.44635 LYS_42 -3.60217 0.35181 3.16286 0.00989 -1.62565 0 0 0 -0.06591 -0.21618 0 0.06698 0.01746 2.58116 -0.10014 -0.28737 0.29272 GLY:CtermProteinFull_43 -1.47362 0.06996 1.62675 0.0001 -0.86342 0 0 0 -0.06591 0 0 0 0 0 0 0.14053 -0.56561 #END_POSE_ENERGIES_TABLE nods_bigger.blueprint.34_try72_pass_20150323184359_0001_0001.pdb AlaCount 6 bb -0.0487264 buried_minus_exposed 3495.42 buried_np 5160.71 buried_over_exposed 3.09897 cavity_volume 0 contact_all 250 contact_core_SASA 250 contact_core_SCN 250 degree 10.6744 degree_core_SASA 10.6744 degree_core_SCN 10.6744 exposed_hydrophobics 1665.29 holes 0.344791 mismatch_probability 0.10774 one_core_each 1 pack 0.759912 percent_core_SASA 0.0930016 percent_core_SCN 0.139502 res_count_core_SASA 4 res_count_core_SCN 6 ss_sc 0.7913 two_core_each 0.333333 unsat_hbond 4
HHH_rd1_0335.pdb
ATOM 1 N THR A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA THR A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C THR A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O THR A 1 1.654 2.234 -0.853 1.00 0.00 O ATOM 5 CB THR A 1 2.012 -0.770 -1.213 1.00 0.00 C ATOM 6 OG1 THR A 1 1.565 -2.131 -1.163 1.00 0.00 O ATOM 7 CG2 THR A 1 3.533 -0.739 -1.215 1.00 0.00 C ATOM 8 1H THR A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 9 2H THR A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 10 3H THR A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 11 HA THR A 1 1.804 -0.492 0.910 1.00 0.00 H ATOM 12 HB THR A 1 1.644 -0.314 -2.132 1.00 0.00 H ATOM 13 HG1 THR A 1 1.064 -2.332 -1.957 1.00 0.00 H ATOM 14 1HG2 THR A 1 3.907 -1.288 -2.079 1.00 0.00 H ATOM 15 2HG2 THR A 1 3.876 0.294 -1.264 1.00 0.00 H ATOM 16 3HG2 THR A 1 3.907 -1.202 -0.302 1.00 0.00 H ATOM 17 N GLU A 2 2.878 1.712 0.962 1.00 0.00 N ATOM 18 CA GLU A 2 3.393 3.064 1.144 1.00 0.00 C ATOM 19 C GLU A 2 4.307 3.465 -0.008 1.00 0.00 C ATOM 20 O GLU A 2 4.360 4.633 -0.393 1.00 0.00 O ATOM 21 CB GLU A 2 4.150 3.172 2.469 1.00 0.00 C ATOM 22 CG GLU A 2 3.277 3.020 3.706 1.00 0.00 C ATOM 23 CD GLU A 2 2.208 4.073 3.802 1.00 0.00 C ATOM 24 OE1 GLU A 2 2.528 5.230 3.673 1.00 0.00 O ATOM 25 OE2 GLU A 2 1.070 3.719 4.003 1.00 0.00 O ATOM 26 H GLU A 2 3.189 0.979 1.583 1.00 0.00 H ATOM 27 HA GLU A 2 2.550 3.755 1.178 1.00 0.00 H ATOM 28 1HB GLU A 2 4.924 2.406 2.510 1.00 0.00 H ATOM 29 2HB GLU A 2 4.646 4.141 2.527 1.00 0.00 H ATOM 30 1HG GLU A 2 2.803 2.038 3.685 1.00 0.00 H ATOM 31 2HG GLU A 2 3.908 3.068 4.592 1.00 0.00 H ATOM 32 N ASP A 3 5.024 2.489 -0.554 1.00 0.00 N ATOM 33 CA ASP A 3 5.874 2.721 -1.716 1.00 0.00 C ATOM 34 C ASP A 3 5.056 3.199 -2.909 1.00 0.00 C ATOM 35 O ASP A 3 5.473 4.098 -3.640 1.00 0.00 O ATOM 36 CB ASP A 3 6.634 1.446 -2.088 1.00 0.00 C ATOM 37 CG ASP A 3 7.731 1.098 -1.091 1.00 0.00 C ATOM 38 OD1 ASP A 3 8.076 1.942 -0.298 1.00 0.00 O ATOM 39 OD2 ASP A 3 8.213 -0.009 -1.132 1.00 0.00 O ATOM 40 H ASP A 3 4.980 1.563 -0.154 1.00 0.00 H ATOM 41 HA ASP A 3 6.604 3.490 -1.462 1.00 0.00 H ATOM 42 1HB ASP A 3 5.936 0.610 -2.146 1.00 0.00 H ATOM 43 2HB ASP A 3 7.084 1.565 -3.074 1.00 0.00 H ATOM 44 N GLU A 4 3.890 2.592 -3.102 1.00 0.00 N ATOM 45 CA GLU A 4 2.999 2.973 -4.191 1.00 0.00 C ATOM 46 C GLU A 4 2.447 4.378 -3.986 1.00 0.00 C ATOM 47 O GLU A 4 2.263 5.130 -4.943 1.00 0.00 O ATOM 48 CB GLU A 4 1.846 1.974 -4.312 1.00 0.00 C ATOM 49 CG GLU A 4 2.252 0.608 -4.847 1.00 0.00 C ATOM 50 CD GLU A 4 1.103 -0.359 -4.913 1.00 0.00 C ATOM 51 OE1 GLU A 4 0.118 -0.129 -4.252 1.00 0.00 O ATOM 52 OE2 GLU A 4 1.209 -1.330 -5.624 1.00 0.00 O ATOM 53 H GLU A 4 3.613 1.848 -2.477 1.00 0.00 H ATOM 54 HA GLU A 4 3.564 2.953 -5.124 1.00 0.00 H ATOM 55 1HB GLU A 4 1.388 1.827 -3.334 1.00 0.00 H ATOM 56 2HB GLU A 4 1.081 2.379 -4.974 1.00 0.00 H ATOM 57 1HG GLU A 4 2.666 0.730 -5.848 1.00 0.00 H ATOM 58 2HG GLU A 4 3.031 0.196 -4.208 1.00 0.00 H ATOM 59 N LYS A 5 2.183 4.727 -2.731 1.00 0.00 N ATOM 60 CA LYS A 5 1.758 6.078 -2.385 1.00 0.00 C ATOM 61 C LYS A 5 2.803 7.106 -2.797 1.00 0.00 C ATOM 62 O LYS A 5 2.469 8.170 -3.318 1.00 0.00 O ATOM 63 CB LYS A 5 1.479 6.184 -0.885 1.00 0.00 C ATOM 64 CG LYS A 5 0.236 5.436 -0.422 1.00 0.00 C ATOM 65 CD LYS A 5 0.039 5.568 1.081 1.00 0.00 C ATOM 66 CE LYS A 5 -1.163 4.765 1.556 1.00 0.00 C ATOM 67 NZ LYS A 5 -1.326 4.826 3.034 1.00 0.00 N ATOM 68 H LYS A 5 2.279 4.038 -1.999 1.00 0.00 H ATOM 69 HA LYS A 5 0.828 6.294 -2.911 1.00 0.00 H ATOM 70 1HB LYS A 5 2.331 5.793 -0.327 1.00 0.00 H ATOM 71 2HB LYS A 5 1.361 7.232 -0.609 1.00 0.00 H ATOM 72 1HG LYS A 5 -0.641 5.836 -0.931 1.00 0.00 H ATOM 73 2HG LYS A 5 0.331 4.380 -0.675 1.00 0.00 H ATOM 74 1HD LYS A 5 0.931 5.211 1.598 1.00 0.00 H ATOM 75 2HD LYS A 5 -0.113 6.616 1.337 1.00 0.00 H ATOM 76 1HE LYS A 5 -2.067 5.152 1.087 1.00 0.00 H ATOM 77 2HE LYS A 5 -1.044 3.723 1.259 1.00 0.00 H ATOM 78 1HZ LYS A 5 -2.132 4.282 3.307 1.00 0.00 H ATOM 79 2HZ LYS A 5 -0.500 4.452 3.480 1.00 0.00 H ATOM 80 3HZ LYS A 5 -1.456 5.786 3.319 1.00 0.00 H ATOM 81 N LYS A 6 4.070 6.783 -2.560 1.00 0.00 N ATOM 82 CA LYS A 6 5.170 7.657 -2.950 1.00 0.00 C ATOM 83 C LYS A 6 5.316 7.715 -4.465 1.00 0.00 C ATOM 84 O LYS A 6 5.596 8.772 -5.031 1.00 0.00 O ATOM 85 CB LYS A 6 6.479 7.188 -2.313 1.00 0.00 C ATOM 86 CG LYS A 6 7.677 8.081 -2.606 1.00 0.00 C ATOM 87 CD LYS A 6 7.436 9.504 -2.124 1.00 0.00 C ATOM 88 CE LYS A 6 7.298 9.561 -0.610 1.00 0.00 C ATOM 89 NZ LYS A 6 7.136 10.956 -0.118 1.00 0.00 N ATOM 90 H LYS A 6 4.276 5.909 -2.098 1.00 0.00 H ATOM 91 HA LYS A 6 4.962 8.661 -2.580 1.00 0.00 H ATOM 92 1HB LYS A 6 6.358 7.134 -1.231 1.00 0.00 H ATOM 93 2HB LYS A 6 6.716 6.184 -2.666 1.00 0.00 H ATOM 94 1HG LYS A 6 8.560 7.682 -2.105 1.00 0.00 H ATOM 95 2HG LYS A 6 7.865 8.097 -3.679 1.00 0.00 H ATOM 96 1HD LYS A 6 8.269 10.138 -2.429 1.00 0.00 H ATOM 97 2HD LYS A 6 6.523 9.892 -2.577 1.00 0.00 H ATOM 98 1HE LYS A 6 6.433 8.977 -0.301 1.00 0.00 H ATOM 99 2HE LYS A 6 8.185 9.127 -0.148 1.00 0.00 H ATOM 100 1HZ LYS A 6 7.049 10.951 0.889 1.00 0.00 H ATOM 101 2HZ LYS A 6 7.944 11.503 -0.383 1.00 0.00 H ATOM 102 3HZ LYS A 6 6.306 11.363 -0.525 1.00 0.00 H ATOM 103 N ILE A 7 5.126 6.574 -5.117 1.00 0.00 N ATOM 104 CA ILE A 7 5.133 6.513 -6.574 1.00 0.00 C ATOM 105 C ILE A 7 4.067 7.424 -7.169 1.00 0.00 C ATOM 106 O ILE A 7 4.331 8.174 -8.108 1.00 0.00 O ATOM 107 CB ILE A 7 4.909 5.071 -7.065 1.00 0.00 C ATOM 108 CG1 ILE A 7 6.141 4.210 -6.771 1.00 0.00 C ATOM 109 CG2 ILE A 7 4.590 5.059 -8.552 1.00 0.00 C ATOM 110 CD1 ILE A 7 5.908 2.728 -6.957 1.00 0.00 C ATOM 111 H ILE A 7 4.971 5.726 -4.591 1.00 0.00 H ATOM 112 HA ILE A 7 6.111 6.841 -6.929 1.00 0.00 H ATOM 113 HB ILE A 7 4.077 4.626 -6.521 1.00 0.00 H ATOM 114 1HG1 ILE A 7 6.959 4.511 -7.423 1.00 0.00 H ATOM 115 2HG1 ILE A 7 6.464 4.377 -5.743 1.00 0.00 H ATOM 116 1HG2 ILE A 7 4.436 4.032 -8.883 1.00 0.00 H ATOM 117 2HG2 ILE A 7 3.686 5.638 -8.735 1.00 0.00 H ATOM 118 3HG2 ILE A 7 5.420 5.497 -9.106 1.00 0.00 H ATOM 119 1HD1 ILE A 7 6.825 2.184 -6.730 1.00 0.00 H ATOM 120 2HD1 ILE A 7 5.114 2.397 -6.287 1.00 0.00 H ATOM 121 3HD1 ILE A 7 5.617 2.532 -7.988 1.00 0.00 H ATOM 122 N GLN A 8 2.860 7.353 -6.616 1.00 0.00 N ATOM 123 CA GLN A 8 1.761 8.198 -7.067 1.00 0.00 C ATOM 124 C GLN A 8 2.079 9.673 -6.861 1.00 0.00 C ATOM 125 O GLN A 8 1.810 10.503 -7.730 1.00 0.00 O ATOM 126 CB GLN A 8 0.469 7.834 -6.331 1.00 0.00 C ATOM 127 CG GLN A 8 -0.111 6.485 -6.721 1.00 0.00 C ATOM 128 CD GLN A 8 -1.314 6.106 -5.878 1.00 0.00 C ATOM 129 OE1 GLN A 8 -1.701 6.836 -4.961 1.00 0.00 O ATOM 130 NE2 GLN A 8 -1.913 4.961 -6.183 1.00 0.00 N ATOM 131 H GLN A 8 2.701 6.698 -5.864 1.00 0.00 H ATOM 132 HA GLN A 8 1.602 8.019 -8.132 1.00 0.00 H ATOM 133 1HB GLN A 8 0.653 7.823 -5.257 1.00 0.00 H ATOM 134 2HB GLN A 8 -0.288 8.594 -6.526 1.00 0.00 H ATOM 135 1HG GLN A 8 -0.423 6.523 -7.764 1.00 0.00 H ATOM 136 2HG GLN A 8 0.654 5.720 -6.588 1.00 0.00 H ATOM 137 1HE2 GLN A 8 -2.712 4.659 -5.661 1.00 0.00 H ATOM 138 2HE2 GLN A 8 -1.565 4.399 -6.934 1.00 0.00 H ATOM 139 N GLU A 9 2.652 9.994 -5.707 1.00 0.00 N ATOM 140 CA GLU A 9 3.067 11.360 -5.411 1.00 0.00 C ATOM 141 C GLU A 9 4.017 11.890 -6.477 1.00 0.00 C ATOM 142 O GLU A 9 3.828 12.989 -7.000 1.00 0.00 O ATOM 143 CB GLU A 9 3.737 11.428 -4.037 1.00 0.00 C ATOM 144 CG GLU A 9 4.223 12.816 -3.642 1.00 0.00 C ATOM 145 CD GLU A 9 4.960 12.827 -2.332 1.00 0.00 C ATOM 146 OE1 GLU A 9 4.901 11.846 -1.631 1.00 0.00 O ATOM 147 OE2 GLU A 9 5.582 13.819 -2.031 1.00 0.00 O ATOM 148 H GLU A 9 2.804 9.273 -5.016 1.00 0.00 H ATOM 149 HA GLU A 9 2.180 11.994 -5.387 1.00 0.00 H ATOM 150 1HB GLU A 9 3.037 11.089 -3.273 1.00 0.00 H ATOM 151 2HB GLU A 9 4.595 10.755 -4.016 1.00 0.00 H ATOM 152 1HG GLU A 9 4.886 13.192 -4.421 1.00 0.00 H ATOM 153 2HG GLU A 9 3.366 13.485 -3.578 1.00 0.00 H ATOM 154 N LEU A 10 5.039 11.104 -6.795 1.00 0.00 N ATOM 155 CA LEU A 10 6.043 11.509 -7.772 1.00 0.00 C ATOM 156 C LEU A 10 5.420 11.728 -9.144 1.00 0.00 C ATOM 157 O LEU A 10 5.764 12.677 -9.849 1.00 0.00 O ATOM 158 CB LEU A 10 7.148 10.449 -7.868 1.00 0.00 C ATOM 159 CG LEU A 10 8.055 10.320 -6.638 1.00 0.00 C ATOM 160 CD1 LEU A 10 8.956 9.103 -6.796 1.00 0.00 C ATOM 161 CD2 LEU A 10 8.876 11.591 -6.477 1.00 0.00 C ATOM 162 H LEU A 10 5.123 10.201 -6.349 1.00 0.00 H ATOM 163 HA LEU A 10 6.492 12.446 -7.438 1.00 0.00 H ATOM 164 1HB LEU A 10 6.684 9.479 -8.041 1.00 0.00 H ATOM 165 2HB LEU A 10 7.781 10.684 -8.724 1.00 0.00 H ATOM 166 HG LEU A 10 7.443 10.169 -5.748 1.00 0.00 H ATOM 167 1HD1 LEU A 10 9.600 9.011 -5.922 1.00 0.00 H ATOM 168 2HD1 LEU A 10 8.343 8.206 -6.889 1.00 0.00 H ATOM 169 3HD1 LEU A 10 9.569 9.218 -7.689 1.00 0.00 H ATOM 170 1HD2 LEU A 10 9.521 11.500 -5.603 1.00 0.00 H ATOM 171 2HD2 LEU A 10 9.490 11.743 -7.366 1.00 0.00 H ATOM 172 3HD2 LEU A 10 8.208 12.442 -6.348 1.00 0.00 H ATOM 173 N LEU A 11 4.501 10.844 -9.519 1.00 0.00 N ATOM 174 CA LEU A 11 3.804 10.957 -10.795 1.00 0.00 C ATOM 175 C LEU A 11 2.947 12.215 -10.845 1.00 0.00 C ATOM 176 O LEU A 11 2.838 12.861 -11.887 1.00 0.00 O ATOM 177 CB LEU A 11 2.925 9.722 -11.030 1.00 0.00 C ATOM 178 CG LEU A 11 3.677 8.413 -11.306 1.00 0.00 C ATOM 179 CD1 LEU A 11 2.693 7.251 -11.297 1.00 0.00 C ATOM 180 CD2 LEU A 11 4.395 8.512 -12.643 1.00 0.00 C ATOM 181 H LEU A 11 4.279 10.074 -8.903 1.00 0.00 H ATOM 182 HA LEU A 11 4.548 11.008 -11.591 1.00 0.00 H ATOM 183 1HB LEU A 11 2.302 9.567 -10.150 1.00 0.00 H ATOM 184 2HB LEU A 11 2.274 9.916 -11.881 1.00 0.00 H ATOM 185 HG LEU A 11 4.406 8.238 -10.514 1.00 0.00 H ATOM 186 1HD1 LEU A 11 3.227 6.321 -11.493 1.00 0.00 H ATOM 187 2HD1 LEU A 11 2.208 7.192 -10.323 1.00 0.00 H ATOM 188 3HD1 LEU A 11 1.940 7.406 -12.069 1.00 0.00 H ATOM 189 1HD2 LEU A 11 4.929 7.582 -12.839 1.00 0.00 H ATOM 190 2HD2 LEU A 11 3.666 8.686 -13.436 1.00 0.00 H ATOM 191 3HD2 LEU A 11 5.104 9.340 -12.615 1.00 0.00 H ATOM 192 N LYS A 12 2.341 12.558 -9.714 1.00 0.00 N ATOM 193 CA LYS A 12 1.583 13.797 -9.596 1.00 0.00 C ATOM 194 C LYS A 12 2.492 15.013 -9.723 1.00 0.00 C ATOM 195 O LYS A 12 2.153 15.985 -10.398 1.00 0.00 O ATOM 196 CB LYS A 12 0.830 13.840 -8.266 1.00 0.00 C ATOM 197 CG LYS A 12 -0.347 12.878 -8.177 1.00 0.00 C ATOM 198 CD LYS A 12 -1.006 12.935 -6.807 1.00 0.00 C ATOM 199 CE LYS A 12 -2.167 11.956 -6.709 1.00 0.00 C ATOM 200 NZ LYS A 12 -2.808 11.986 -5.367 1.00 0.00 N ATOM 201 H LYS A 12 2.407 11.943 -8.915 1.00 0.00 H ATOM 202 HA LYS A 12 0.843 13.828 -10.397 1.00 0.00 H ATOM 203 1HB LYS A 12 1.516 13.605 -7.451 1.00 0.00 H ATOM 204 2HB LYS A 12 0.451 14.848 -8.094 1.00 0.00 H ATOM 205 1HG LYS A 12 -1.086 13.136 -8.937 1.00 0.00 H ATOM 206 2HG LYS A 12 -0.001 11.862 -8.363 1.00 0.00 H ATOM 207 1HD LYS A 12 -0.270 12.691 -6.039 1.00 0.00 H ATOM 208 2HD LYS A 12 -1.377 13.943 -6.623 1.00 0.00 H ATOM 209 1HE LYS A 12 -2.915 12.203 -7.461 1.00 0.00 H ATOM 210 2HE LYS A 12 -1.808 10.946 -6.904 1.00 0.00 H ATOM 211 1HZ LYS A 12 -3.571 11.324 -5.343 1.00 0.00 H ATOM 212 2HZ LYS A 12 -2.127 11.739 -4.662 1.00 0.00 H ATOM 213 3HZ LYS A 12 -3.162 12.913 -5.182 1.00 0.00 H ATOM 214 N ARG A 13 3.647 14.952 -9.070 1.00 0.00 N ATOM 215 CA ARG A 13 4.623 16.034 -9.137 1.00 0.00 C ATOM 216 C ARG A 13 5.177 16.190 -10.548 1.00 0.00 C ATOM 217 O ARG A 13 5.526 17.292 -10.969 1.00 0.00 O ATOM 218 CB ARG A 13 5.770 15.780 -8.171 1.00 0.00 C ATOM 219 CG ARG A 13 5.411 15.920 -6.700 1.00 0.00 C ATOM 220 CD ARG A 13 6.587 15.690 -5.823 1.00 0.00 C ATOM 221 NE ARG A 13 6.229 15.732 -4.414 1.00 0.00 N ATOM 222 CZ ARG A 13 6.102 16.862 -3.690 1.00 0.00 C ATOM 223 NH1 ARG A 13 6.307 18.031 -4.256 1.00 0.00 N ATOM 224 NH2 ARG A 13 5.772 16.795 -2.412 1.00 0.00 N ATOM 225 H ARG A 13 3.855 14.136 -8.514 1.00 0.00 H ATOM 226 HA ARG A 13 4.130 16.963 -8.850 1.00 0.00 H ATOM 227 1HB ARG A 13 6.156 14.773 -8.321 1.00 0.00 H ATOM 228 2HB ARG A 13 6.583 16.476 -8.379 1.00 0.00 H ATOM 229 1HG ARG A 13 5.034 16.926 -6.512 1.00 0.00 H ATOM 230 2HG ARG A 13 4.642 15.191 -6.442 1.00 0.00 H ATOM 231 1HD ARG A 13 7.014 14.711 -6.036 1.00 0.00 H ATOM 232 2HD ARG A 13 7.335 16.460 -6.007 1.00 0.00 H ATOM 233 HE ARG A 13 6.063 14.852 -3.944 1.00 0.00 H ATOM 234 1HH1 ARG A 13 6.559 18.083 -5.233 1.00 0.00 H ATOM 235 2HH1 ARG A 13 6.212 18.878 -3.713 1.00 0.00 H ATOM 236 1HH2 ARG A 13 5.615 15.896 -1.978 1.00 0.00 H ATOM 237 2HH2 ARG A 13 5.677 17.641 -1.871 1.00 0.00 H ATOM 238 N ALA A 14 5.254 15.080 -11.274 1.00 0.00 N ATOM 239 CA ALA A 14 5.768 15.091 -12.638 1.00 0.00 C ATOM 240 C ALA A 14 4.656 15.359 -13.644 1.00 0.00 C ATOM 241 O ALA A 14 4.892 15.388 -14.852 1.00 0.00 O ATOM 242 CB ALA A 14 6.460 13.773 -12.954 1.00 0.00 C ATOM 243 H ALA A 14 4.948 14.206 -10.871 1.00 0.00 H ATOM 244 HA ALA A 14 6.513 15.883 -12.721 1.00 0.00 H ATOM 245 1HB ALA A 14 6.839 13.796 -13.976 1.00 0.00 H ATOM 246 2HB ALA A 14 7.290 13.623 -12.263 1.00 0.00 H ATOM 247 3HB ALA A 14 5.749 12.955 -12.850 1.00 0.00 H ATOM 248 N ASN A 15 3.443 15.555 -13.139 1.00 0.00 N ATOM 249 CA ASN A 15 2.298 15.859 -13.990 1.00 0.00 C ATOM 250 C ASN A 15 2.085 14.771 -15.035 1.00 0.00 C ATOM 251 O ASN A 15 1.720 15.055 -16.175 1.00 0.00 O ATOM 252 CB ASN A 15 2.472 17.212 -14.656 1.00 0.00 C ATOM 253 CG ASN A 15 2.488 18.344 -13.667 1.00 0.00 C ATOM 254 OD1 ASN A 15 1.723 18.347 -12.695 1.00 0.00 O ATOM 255 ND2 ASN A 15 3.345 19.306 -13.895 1.00 0.00 N ATOM 256 H ASN A 15 3.310 15.492 -12.140 1.00 0.00 H ATOM 257 HA ASN A 15 1.403 15.890 -13.368 1.00 0.00 H ATOM 258 1HB ASN A 15 3.406 17.223 -15.219 1.00 0.00 H ATOM 259 2HB ASN A 15 1.660 17.375 -15.364 1.00 0.00 H ATOM 260 1HD2 ASN A 15 3.400 20.086 -13.271 1.00 0.00 H ATOM 261 2HD2 ASN A 15 3.945 19.263 -14.694 1.00 0.00 H ATOM 262 N GLY A 16 2.314 13.524 -14.638 1.00 0.00 N ATOM 263 CA GLY A 16 2.032 12.381 -15.499 1.00 0.00 C ATOM 264 C GLY A 16 3.302 11.864 -16.162 1.00 0.00 C ATOM 265 O GLY A 16 3.352 10.724 -16.625 1.00 0.00 O ATOM 266 H GLY A 16 2.694 13.362 -13.716 1.00 0.00 H ATOM 267 1HA GLY A 16 1.574 11.586 -14.910 1.00 0.00 H ATOM 268 2HA GLY A 16 1.311 12.671 -16.263 1.00 0.00 H ATOM 269 N ASP A 17 4.328 12.707 -16.204 1.00 0.00 N ATOM 270 CA ASP A 17 5.581 12.358 -16.862 1.00 0.00 C ATOM 271 C ASP A 17 6.349 11.312 -16.065 1.00 0.00 C ATOM 272 O ASP A 17 6.957 11.621 -15.041 1.00 0.00 O ATOM 273 CB ASP A 17 6.451 13.602 -17.055 1.00 0.00 C ATOM 274 CG ASP A 17 7.750 13.309 -17.793 1.00 0.00 C ATOM 275 OD1 ASP A 17 8.180 12.180 -17.772 1.00 0.00 O ATOM 276 OD2 ASP A 17 8.299 14.216 -18.371 1.00 0.00 O ATOM 277 H ASP A 17 4.237 13.614 -15.768 1.00 0.00 H ATOM 278 HA ASP A 17 5.350 11.919 -17.834 1.00 0.00 H ATOM 279 1HB ASP A 17 5.893 14.353 -17.615 1.00 0.00 H ATOM 280 2HB ASP A 17 6.692 14.032 -16.082 1.00 0.00 H ATOM 281 N VAL A 18 6.318 10.072 -16.542 1.00 0.00 N ATOM 282 CA VAL A 18 6.925 8.959 -15.822 1.00 0.00 C ATOM 283 C VAL A 18 8.432 9.141 -15.695 1.00 0.00 C ATOM 284 O VAL A 18 9.007 8.922 -14.629 1.00 0.00 O ATOM 285 CB VAL A 18 6.630 7.631 -16.544 1.00 0.00 C ATOM 286 CG1 VAL A 18 7.423 6.495 -15.914 1.00 0.00 C ATOM 287 CG2 VAL A 18 5.139 7.337 -16.499 1.00 0.00 C ATOM 288 H VAL A 18 5.861 9.896 -17.425 1.00 0.00 H ATOM 289 HA VAL A 18 6.493 8.917 -14.821 1.00 0.00 H ATOM 290 HB VAL A 18 6.955 7.712 -17.581 1.00 0.00 H ATOM 291 1HG1 VAL A 18 7.203 5.564 -16.437 1.00 0.00 H ATOM 292 2HG1 VAL A 18 8.489 6.710 -15.990 1.00 0.00 H ATOM 293 3HG1 VAL A 18 7.145 6.395 -14.865 1.00 0.00 H ATOM 294 1HG2 VAL A 18 4.937 6.397 -17.012 1.00 0.00 H ATOM 295 2HG2 VAL A 18 4.814 7.261 -15.461 1.00 0.00 H ATOM 296 3HG2 VAL A 18 4.594 8.143 -16.992 1.00 0.00 H ATOM 297 N SER A 19 9.068 9.545 -16.790 1.00 0.00 N ATOM 298 CA SER A 19 10.521 9.652 -16.837 1.00 0.00 C ATOM 299 C SER A 19 11.024 10.736 -15.893 1.00 0.00 C ATOM 300 O SER A 19 12.097 10.610 -15.302 1.00 0.00 O ATOM 301 CB SER A 19 10.978 9.949 -18.252 1.00 0.00 C ATOM 302 OG SER A 19 10.594 11.239 -18.642 1.00 0.00 O ATOM 303 H SER A 19 8.531 9.783 -17.612 1.00 0.00 H ATOM 304 HA SER A 19 10.949 8.696 -16.531 1.00 0.00 H ATOM 305 1HB SER A 19 12.062 9.855 -18.311 1.00 0.00 H ATOM 306 2HB SER A 19 10.548 9.217 -18.934 1.00 0.00 H ATOM 307 HG SER A 19 9.706 11.366 -18.301 1.00 0.00 H ATOM 308 N LYS A 20 10.243 11.802 -15.754 1.00 0.00 N ATOM 309 CA LYS A 20 10.549 12.857 -14.796 1.00 0.00 C ATOM 310 C LYS A 20 10.391 12.364 -13.363 1.00 0.00 C ATOM 311 O LYS A 20 11.237 12.627 -12.509 1.00 0.00 O ATOM 312 CB LYS A 20 9.654 14.074 -15.035 1.00 0.00 C ATOM 313 CG LYS A 20 9.895 15.230 -14.073 1.00 0.00 C ATOM 314 CD LYS A 20 9.047 16.439 -14.439 1.00 0.00 C ATOM 315 CE LYS A 20 9.261 17.584 -13.460 1.00 0.00 C ATOM 316 NZ LYS A 20 8.477 18.792 -13.836 1.00 0.00 N ATOM 317 H LYS A 20 9.415 11.883 -16.327 1.00 0.00 H ATOM 318 HA LYS A 20 11.583 13.171 -14.945 1.00 0.00 H ATOM 319 1HB LYS A 20 9.807 14.445 -16.048 1.00 0.00 H ATOM 320 2HB LYS A 20 8.608 13.779 -14.948 1.00 0.00 H ATOM 321 1HG LYS A 20 9.647 14.917 -13.058 1.00 0.00 H ATOM 322 2HG LYS A 20 10.946 15.513 -14.100 1.00 0.00 H ATOM 323 1HD LYS A 20 9.309 16.777 -15.443 1.00 0.00 H ATOM 324 2HD LYS A 20 7.993 16.160 -14.432 1.00 0.00 H ATOM 325 1HE LYS A 20 8.962 17.268 -12.461 1.00 0.00 H ATOM 326 2HE LYS A 20 10.318 17.846 -13.433 1.00 0.00 H ATOM 327 1HZ LYS A 20 8.647 19.526 -13.163 1.00 0.00 H ATOM 328 2HZ LYS A 20 8.760 19.105 -14.754 1.00 0.00 H ATOM 329 3HZ LYS A 20 7.493 18.565 -13.845 1.00 0.00 H ATOM 330 N ALA A 21 9.303 11.646 -13.107 1.00 0.00 N ATOM 331 CA ALA A 21 9.044 11.093 -11.783 1.00 0.00 C ATOM 332 C ALA A 21 10.164 10.156 -11.349 1.00 0.00 C ATOM 333 O ALA A 21 10.529 10.111 -10.174 1.00 0.00 O ATOM 334 CB ALA A 21 7.708 10.364 -11.765 1.00 0.00 C ATOM 335 H ALA A 21 8.637 11.480 -13.848 1.00 0.00 H ATOM 336 HA ALA A 21 8.981 11.916 -11.070 1.00 0.00 H ATOM 337 1HB ALA A 21 7.530 9.957 -10.770 1.00 0.00 H ATOM 338 2HB ALA A 21 6.910 11.061 -12.020 1.00 0.00 H ATOM 339 3HB ALA A 21 7.727 9.553 -12.491 1.00 0.00 H ATOM 340 N GLU A 22 10.706 9.408 -12.304 1.00 0.00 N ATOM 341 CA GLU A 22 11.881 8.581 -12.056 1.00 0.00 C ATOM 342 C GLU A 22 13.074 9.430 -11.636 1.00 0.00 C ATOM 343 O GLU A 22 13.768 9.107 -10.672 1.00 0.00 O ATOM 344 CB GLU A 22 12.235 7.769 -13.304 1.00 0.00 C ATOM 345 CG GLU A 22 11.235 6.673 -13.645 1.00 0.00 C ATOM 346 CD GLU A 22 11.599 5.917 -14.892 1.00 0.00 C ATOM 347 OE1 GLU A 22 12.646 6.174 -15.436 1.00 0.00 O ATOM 348 OE2 GLU A 22 10.828 5.081 -15.302 1.00 0.00 O ATOM 349 H GLU A 22 10.295 9.414 -13.227 1.00 0.00 H ATOM 350 HA GLU A 22 11.648 7.882 -11.251 1.00 0.00 H ATOM 351 1HB GLU A 22 12.307 8.435 -14.163 1.00 0.00 H ATOM 352 2HB GLU A 22 13.210 7.301 -13.169 1.00 0.00 H ATOM 353 1HG GLU A 22 11.181 5.972 -12.812 1.00 0.00 H ATOM 354 2HG GLU A 22 10.250 7.121 -13.771 1.00 0.00 H ATOM 355 N LYS A 23 13.307 10.516 -12.364 1.00 0.00 N ATOM 356 CA LYS A 23 14.402 11.427 -12.053 1.00 0.00 C ATOM 357 C LYS A 23 14.227 12.048 -10.674 1.00 0.00 C ATOM 358 O LYS A 23 15.199 12.257 -9.949 1.00 0.00 O ATOM 359 CB LYS A 23 14.504 12.523 -13.115 1.00 0.00 C ATOM 360 CG LYS A 23 15.007 12.043 -14.469 1.00 0.00 C ATOM 361 CD LYS A 23 15.027 13.175 -15.485 1.00 0.00 C ATOM 362 CE LYS A 23 15.516 12.694 -16.843 1.00 0.00 C ATOM 363 NZ LYS A 23 15.511 13.785 -17.855 1.00 0.00 N ATOM 364 H LYS A 23 12.710 10.716 -13.154 1.00 0.00 H ATOM 365 HA LYS A 23 15.336 10.863 -12.067 1.00 0.00 H ATOM 366 1HB LYS A 23 13.525 12.978 -13.264 1.00 0.00 H ATOM 367 2HB LYS A 23 15.179 13.306 -12.766 1.00 0.00 H ATOM 368 1HG LYS A 23 16.017 11.644 -14.362 1.00 0.00 H ATOM 369 2HG LYS A 23 14.359 11.248 -14.837 1.00 0.00 H ATOM 370 1HD LYS A 23 14.022 13.584 -15.594 1.00 0.00 H ATOM 371 2HD LYS A 23 15.687 13.969 -15.133 1.00 0.00 H ATOM 372 1HE LYS A 23 16.530 12.307 -16.748 1.00 0.00 H ATOM 373 2HE LYS A 23 14.875 11.886 -17.195 1.00 0.00 H ATOM 374 1HZ LYS A 23 15.841 13.425 -18.740 1.00 0.00 H ATOM 375 2HZ LYS A 23 14.571 14.139 -17.965 1.00 0.00 H ATOM 376 3HZ LYS A 23 16.118 14.532 -17.549 1.00 0.00 H ATOM 377 N LEU A 24 12.981 12.340 -10.316 1.00 0.00 N ATOM 378 CA LEU A 24 12.672 12.905 -9.007 1.00 0.00 C ATOM 379 C LEU A 24 13.060 11.946 -7.889 1.00 0.00 C ATOM 380 O LEU A 24 13.609 12.359 -6.867 1.00 0.00 O ATOM 381 CB LEU A 24 11.177 13.234 -8.912 1.00 0.00 C ATOM 382 CG LEU A 24 10.699 14.410 -9.774 1.00 0.00 C ATOM 383 CD1 LEU A 24 9.182 14.518 -9.689 1.00 0.00 C ATOM 384 CD2 LEU A 24 11.366 15.692 -9.299 1.00 0.00 C ATOM 385 H LEU A 24 12.229 12.168 -10.967 1.00 0.00 H ATOM 386 HA LEU A 24 13.238 13.829 -8.887 1.00 0.00 H ATOM 387 1HB LEU A 24 10.608 12.354 -9.207 1.00 0.00 H ATOM 388 2HB LEU A 24 10.938 13.465 -7.874 1.00 0.00 H ATOM 389 HG LEU A 24 10.962 14.228 -10.816 1.00 0.00 H ATOM 390 1HD1 LEU A 24 8.842 15.353 -10.302 1.00 0.00 H ATOM 391 2HD1 LEU A 24 8.731 13.595 -10.052 1.00 0.00 H ATOM 392 3HD1 LEU A 24 8.887 14.684 -8.654 1.00 0.00 H ATOM 393 1HD2 LEU A 24 11.026 16.527 -9.913 1.00 0.00 H ATOM 394 2HD2 LEU A 24 11.102 15.876 -8.258 1.00 0.00 H ATOM 395 3HD2 LEU A 24 12.448 15.593 -9.388 1.00 0.00 H ATOM 396 N ALA A 25 12.771 10.665 -8.088 1.00 0.00 N ATOM 397 CA ALA A 25 13.197 9.629 -7.155 1.00 0.00 C ATOM 398 C ALA A 25 14.716 9.520 -7.109 1.00 0.00 C ATOM 399 O ALA A 25 15.309 9.409 -6.036 1.00 0.00 O ATOM 400 CB ALA A 25 12.582 8.290 -7.532 1.00 0.00 C ATOM 401 H ALA A 25 12.242 10.401 -8.907 1.00 0.00 H ATOM 402 HA ALA A 25 12.836 9.890 -6.159 1.00 0.00 H ATOM 403 1HB ALA A 25 12.910 7.527 -6.826 1.00 0.00 H ATOM 404 2HB ALA A 25 11.495 8.368 -7.503 1.00 0.00 H ATOM 405 3HB ALA A 25 12.899 8.014 -8.536 1.00 0.00 H ATOM 406 N GLN A 26 15.342 9.551 -8.281 1.00 0.00 N ATOM 407 CA GLN A 26 16.790 9.420 -8.380 1.00 0.00 C ATOM 408 C GLN A 26 17.497 10.579 -7.691 1.00 0.00 C ATOM 409 O GLN A 26 18.580 10.413 -7.130 1.00 0.00 O ATOM 410 CB GLN A 26 17.222 9.342 -9.847 1.00 0.00 C ATOM 411 CG GLN A 26 16.848 8.042 -10.539 1.00 0.00 C ATOM 412 CD GLN A 26 17.207 8.046 -12.012 1.00 0.00 C ATOM 413 OE1 GLN A 26 17.021 9.048 -12.708 1.00 0.00 O ATOM 414 NE2 GLN A 26 17.726 6.924 -12.497 1.00 0.00 N ATOM 415 H GLN A 26 14.799 9.670 -9.125 1.00 0.00 H ATOM 416 HA GLN A 26 17.087 8.490 -7.894 1.00 0.00 H ATOM 417 1HB GLN A 26 16.769 10.162 -10.404 1.00 0.00 H ATOM 418 2HB GLN A 26 18.304 9.460 -9.915 1.00 0.00 H ATOM 419 1HG GLN A 26 17.381 7.221 -10.059 1.00 0.00 H ATOM 420 2HG GLN A 26 15.772 7.892 -10.449 1.00 0.00 H ATOM 421 1HE2 GLN A 26 17.983 6.867 -13.463 1.00 0.00 H ATOM 422 2HE2 GLN A 26 17.860 6.134 -11.897 1.00 0.00 H ATOM 423 N SER A 27 16.878 11.754 -7.736 1.00 0.00 N ATOM 424 CA SER A 27 17.456 12.948 -7.131 1.00 0.00 C ATOM 425 C SER A 27 17.549 12.809 -5.617 1.00 0.00 C ATOM 426 O SER A 27 18.311 13.522 -4.964 1.00 0.00 O ATOM 427 CB SER A 27 16.626 14.167 -7.486 1.00 0.00 C ATOM 428 OG SER A 27 15.438 14.198 -6.744 1.00 0.00 O ATOM 429 H SER A 27 15.984 11.822 -8.201 1.00 0.00 H ATOM 430 HA SER A 27 18.461 13.087 -7.532 1.00 0.00 H ATOM 431 1HB SER A 27 17.204 15.070 -7.291 1.00 0.00 H ATOM 432 2HB SER A 27 16.394 14.151 -8.550 1.00 0.00 H ATOM 433 HG SER A 27 14.949 13.411 -6.995 1.00 0.00 H ATOM 434 N GLN A 28 16.769 11.886 -5.064 1.00 0.00 N ATOM 435 CA GLN A 28 16.755 11.659 -3.624 1.00 0.00 C ATOM 436 C GLN A 28 17.596 10.445 -3.249 1.00 0.00 C ATOM 437 O GLN A 28 17.650 10.051 -2.084 1.00 0.00 O ATOM 438 CB GLN A 28 15.319 11.474 -3.125 1.00 0.00 C ATOM 439 CG GLN A 28 14.403 12.651 -3.414 1.00 0.00 C ATOM 440 CD GLN A 28 14.895 13.937 -2.780 1.00 0.00 C ATOM 441 OE1 GLN A 28 14.992 14.044 -1.554 1.00 0.00 O ATOM 442 NE2 GLN A 28 15.210 14.924 -3.612 1.00 0.00 N ATOM 443 H GLN A 28 16.171 11.328 -5.656 1.00 0.00 H ATOM 444 HA GLN A 28 17.182 12.533 -3.131 1.00 0.00 H ATOM 445 1HB GLN A 28 14.885 10.588 -3.587 1.00 0.00 H ATOM 446 2HB GLN A 28 15.327 11.311 -2.047 1.00 0.00 H ATOM 447 1HG GLN A 28 14.350 12.800 -4.493 1.00 0.00 H ATOM 448 2HG GLN A 28 13.411 12.432 -3.019 1.00 0.00 H ATOM 449 1HE2 GLN A 28 15.541 15.797 -3.251 1.00 0.00 H ATOM 450 2HE2 GLN A 28 15.117 14.795 -4.599 1.00 0.00 H ATOM 451 N GLY A 29 18.251 9.856 -4.244 1.00 0.00 N ATOM 452 CA GLY A 29 19.099 8.692 -4.019 1.00 0.00 C ATOM 453 C GLY A 29 18.273 7.413 -3.960 1.00 0.00 C ATOM 454 O GLY A 29 18.679 6.429 -3.341 1.00 0.00 O ATOM 455 H GLY A 29 18.160 10.225 -5.179 1.00 0.00 H ATOM 456 1HA GLY A 29 19.835 8.617 -4.819 1.00 0.00 H ATOM 457 2HA GLY A 29 19.649 8.817 -3.087 1.00 0.00 H ATOM 458 N ASN A 30 17.114 7.433 -4.608 1.00 0.00 N ATOM 459 CA ASN A 30 16.207 6.291 -4.593 1.00 0.00 C ATOM 460 C ASN A 30 16.055 5.691 -5.984 1.00 0.00 C ATOM 461 O ASN A 30 15.031 5.877 -6.642 1.00 0.00 O ATOM 462 CB ASN A 30 14.855 6.690 -4.032 1.00 0.00 C ATOM 463 CG ASN A 30 14.933 7.137 -2.598 1.00 0.00 C ATOM 464 OD1 ASN A 30 15.546 6.467 -1.759 1.00 0.00 O ATOM 465 ND2 ASN A 30 14.324 8.256 -2.301 1.00 0.00 N ATOM 466 H ASN A 30 16.853 8.261 -5.124 1.00 0.00 H ATOM 467 HA ASN A 30 16.635 5.518 -3.952 1.00 0.00 H ATOM 468 1HB ASN A 30 14.437 7.500 -4.630 1.00 0.00 H ATOM 469 2HB ASN A 30 14.169 5.845 -4.100 1.00 0.00 H ATOM 470 1HD2 ASN A 30 14.343 8.602 -1.363 1.00 0.00 H ATOM 471 2HD2 ASN A 30 13.840 8.766 -3.012 1.00 0.00 H ATOM 472 N GLU A 31 17.079 4.970 -6.428 1.00 0.00 N ATOM 473 CA GLU A 31 17.040 4.299 -7.722 1.00 0.00 C ATOM 474 C GLU A 31 15.999 3.187 -7.735 1.00 0.00 C ATOM 475 O GLU A 31 15.264 3.024 -8.709 1.00 0.00 O ATOM 476 CB GLU A 31 18.416 3.726 -8.067 1.00 0.00 C ATOM 477 CG GLU A 31 18.447 2.884 -9.335 1.00 0.00 C ATOM 478 CD GLU A 31 18.140 3.679 -10.573 1.00 0.00 C ATOM 479 OE1 GLU A 31 18.263 4.879 -10.531 1.00 0.00 O ATOM 480 OE2 GLU A 31 17.783 3.085 -11.563 1.00 0.00 O ATOM 481 H GLU A 31 17.905 4.884 -5.854 1.00 0.00 H ATOM 482 HA GLU A 31 16.777 5.033 -8.485 1.00 0.00 H ATOM 483 1HB GLU A 31 19.129 4.541 -8.190 1.00 0.00 H ATOM 484 2HB GLU A 31 18.769 3.104 -7.244 1.00 0.00 H ATOM 485 1HG GLU A 31 19.436 2.438 -9.438 1.00 0.00 H ATOM 486 2HG GLU A 31 17.723 2.076 -9.239 1.00 0.00 H ATOM 487 N GLU A 32 15.940 2.425 -6.648 1.00 0.00 N ATOM 488 CA GLU A 32 14.948 1.367 -6.508 1.00 0.00 C ATOM 489 C GLU A 32 13.534 1.911 -6.668 1.00 0.00 C ATOM 490 O GLU A 32 12.715 1.338 -7.387 1.00 0.00 O ATOM 491 CB GLU A 32 15.089 0.681 -5.147 1.00 0.00 C ATOM 492 CG GLU A 32 14.091 -0.442 -4.902 1.00 0.00 C ATOM 493 CD GLU A 32 14.258 -1.090 -3.556 1.00 0.00 C ATOM 494 OE1 GLU A 32 15.255 -0.847 -2.920 1.00 0.00 O ATOM 495 OE2 GLU A 32 13.387 -1.830 -3.163 1.00 0.00 O ATOM 496 H GLU A 32 16.600 2.584 -5.900 1.00 0.00 H ATOM 497 HA GLU A 32 15.125 0.621 -7.283 1.00 0.00 H ATOM 498 1HB GLU A 32 16.091 0.264 -5.052 1.00 0.00 H ATOM 499 2HB GLU A 32 14.964 1.418 -4.353 1.00 0.00 H ATOM 500 1HG GLU A 32 13.081 -0.039 -4.975 1.00 0.00 H ATOM 501 2HG GLU A 32 14.209 -1.195 -5.680 1.00 0.00 H ATOM 502 N LEU A 33 13.254 3.022 -5.996 1.00 0.00 N ATOM 503 CA LEU A 33 11.947 3.663 -6.086 1.00 0.00 C ATOM 504 C LEU A 33 11.615 4.037 -7.525 1.00 0.00 C ATOM 505 O LEU A 33 10.504 3.798 -7.997 1.00 0.00 O ATOM 506 CB LEU A 33 11.910 4.918 -5.204 1.00 0.00 C ATOM 507 CG LEU A 33 10.595 5.707 -5.225 1.00 0.00 C ATOM 508 CD1 LEU A 33 9.460 4.818 -4.738 1.00 0.00 C ATOM 509 CD2 LEU A 33 10.733 6.946 -4.353 1.00 0.00 C ATOM 510 H LEU A 33 13.964 3.433 -5.407 1.00 0.00 H ATOM 511 HA LEU A 33 11.193 2.964 -5.723 1.00 0.00 H ATOM 512 1HB LEU A 33 12.103 4.624 -4.174 1.00 0.00 H ATOM 513 2HB LEU A 33 12.706 5.591 -5.523 1.00 0.00 H ATOM 514 HG LEU A 33 10.368 6.008 -6.248 1.00 0.00 H ATOM 515 1HD1 LEU A 33 8.526 5.379 -4.753 1.00 0.00 H ATOM 516 2HD1 LEU A 33 9.372 3.950 -5.391 1.00 0.00 H ATOM 517 3HD1 LEU A 33 9.668 4.488 -3.720 1.00 0.00 H ATOM 518 1HD2 LEU A 33 9.798 7.508 -4.369 1.00 0.00 H ATOM 519 2HD2 LEU A 33 10.959 6.647 -3.329 1.00 0.00 H ATOM 520 3HD2 LEU A 33 11.539 7.573 -4.734 1.00 0.00 H ATOM 521 N ALA A 34 12.585 4.624 -8.217 1.00 0.00 N ATOM 522 CA ALA A 34 12.410 4.997 -9.616 1.00 0.00 C ATOM 523 C ALA A 34 12.055 3.785 -10.469 1.00 0.00 C ATOM 524 O ALA A 34 11.187 3.859 -11.339 1.00 0.00 O ATOM 525 CB ALA A 34 13.669 5.667 -10.147 1.00 0.00 C ATOM 526 H ALA A 34 13.466 4.817 -7.763 1.00 0.00 H ATOM 527 HA ALA A 34 11.597 5.721 -9.682 1.00 0.00 H ATOM 528 1HB ALA A 34 13.522 5.940 -11.192 1.00 0.00 H ATOM 529 2HB ALA A 34 13.877 6.564 -9.564 1.00 0.00 H ATOM 530 3HB ALA A 34 14.509 4.979 -10.066 1.00 0.00 H ATOM 531 N ARG A 35 12.731 2.670 -10.214 1.00 0.00 N ATOM 532 CA ARG A 35 12.496 1.443 -10.965 1.00 0.00 C ATOM 533 C ARG A 35 11.123 0.862 -10.654 1.00 0.00 C ATOM 534 O ARG A 35 10.429 0.373 -11.546 1.00 0.00 O ATOM 535 CB ARG A 35 13.565 0.408 -10.649 1.00 0.00 C ATOM 536 CG ARG A 35 14.955 0.745 -11.165 1.00 0.00 C ATOM 537 CD ARG A 35 15.951 -0.285 -10.774 1.00 0.00 C ATOM 538 NE ARG A 35 17.300 0.086 -11.172 1.00 0.00 N ATOM 539 CZ ARG A 35 18.373 -0.724 -11.086 1.00 0.00 C ATOM 540 NH1 ARG A 35 18.239 -1.944 -10.615 1.00 0.00 N ATOM 541 NH2 ARG A 35 19.560 -0.291 -11.475 1.00 0.00 N ATOM 542 H ARG A 35 13.426 2.673 -9.481 1.00 0.00 H ATOM 543 HA ARG A 35 12.545 1.674 -12.030 1.00 0.00 H ATOM 544 1HB ARG A 35 13.637 0.278 -9.570 1.00 0.00 H ATOM 545 2HB ARG A 35 13.279 -0.553 -11.076 1.00 0.00 H ATOM 546 1HG ARG A 35 14.934 0.806 -12.253 1.00 0.00 H ATOM 547 2HG ARG A 35 15.273 1.704 -10.754 1.00 0.00 H ATOM 548 1HD ARG A 35 15.938 -0.412 -9.692 1.00 0.00 H ATOM 549 2HD ARG A 35 15.703 -1.231 -11.253 1.00 0.00 H ATOM 550 HE ARG A 35 17.442 1.018 -11.539 1.00 0.00 H ATOM 551 1HH1 ARG A 35 17.332 -2.274 -10.318 1.00 0.00 H ATOM 552 2HH1 ARG A 35 19.044 -2.551 -10.551 1.00 0.00 H ATOM 553 1HH2 ARG A 35 19.662 0.647 -11.836 1.00 0.00 H ATOM 554 2HH2 ARG A 35 20.364 -0.898 -11.410 1.00 0.00 H ATOM 555 N ARG A 36 10.736 0.918 -9.385 1.00 0.00 N ATOM 556 CA ARG A 36 9.413 0.469 -8.966 1.00 0.00 C ATOM 557 C ARG A 36 8.321 1.358 -9.546 1.00 0.00 C ATOM 558 O ARG A 36 7.245 0.881 -9.907 1.00 0.00 O ATOM 559 CB ARG A 36 9.305 0.463 -7.448 1.00 0.00 C ATOM 560 CG ARG A 36 10.103 -0.629 -6.755 1.00 0.00 C ATOM 561 CD ARG A 36 9.891 -0.615 -5.285 1.00 0.00 C ATOM 562 NE ARG A 36 10.714 -1.605 -4.608 1.00 0.00 N ATOM 563 CZ ARG A 36 10.402 -2.910 -4.494 1.00 0.00 C ATOM 564 NH1 ARG A 36 9.285 -3.367 -5.015 1.00 0.00 N ATOM 565 NH2 ARG A 36 11.219 -3.732 -3.858 1.00 0.00 N ATOM 566 H ARG A 36 11.374 1.281 -8.691 1.00 0.00 H ATOM 567 HA ARG A 36 9.263 -0.549 -9.326 1.00 0.00 H ATOM 568 1HB ARG A 36 9.647 1.420 -7.056 1.00 0.00 H ATOM 569 2HB ARG A 36 8.261 0.344 -7.158 1.00 0.00 H ATOM 570 1HG ARG A 36 9.794 -1.603 -7.136 1.00 0.00 H ATOM 571 2HG ARG A 36 11.166 -0.483 -6.950 1.00 0.00 H ATOM 572 1HD ARG A 36 10.147 0.368 -4.890 1.00 0.00 H ATOM 573 2HD ARG A 36 8.847 -0.833 -5.065 1.00 0.00 H ATOM 574 HE ARG A 36 11.582 -1.291 -4.195 1.00 0.00 H ATOM 575 1HH1 ARG A 36 8.660 -2.739 -5.501 1.00 0.00 H ATOM 576 2HH1 ARG A 36 9.050 -4.345 -4.930 1.00 0.00 H ATOM 577 1HH2 ARG A 36 12.078 -3.381 -3.458 1.00 0.00 H ATOM 578 2HH2 ARG A 36 10.985 -4.710 -3.773 1.00 0.00 H ATOM 579 N LEU A 37 8.603 2.654 -9.634 1.00 0.00 N ATOM 580 CA LEU A 37 7.684 3.598 -10.258 1.00 0.00 C ATOM 581 C LEU A 37 7.428 3.236 -11.716 1.00 0.00 C ATOM 582 O LEU A 37 6.284 3.219 -12.169 1.00 0.00 O ATOM 583 CB LEU A 37 8.246 5.022 -10.169 1.00 0.00 C ATOM 584 CG LEU A 37 7.357 6.126 -10.755 1.00 0.00 C ATOM 585 CD1 LEU A 37 7.455 7.373 -9.887 1.00 0.00 C ATOM 586 CD2 LEU A 37 7.787 6.420 -12.185 1.00 0.00 C ATOM 587 H LEU A 37 9.478 2.993 -9.259 1.00 0.00 H ATOM 588 HA LEU A 37 6.737 3.566 -9.719 1.00 0.00 H ATOM 589 1HB LEU A 37 8.423 5.261 -9.122 1.00 0.00 H ATOM 590 2HB LEU A 37 9.201 5.052 -10.694 1.00 0.00 H ATOM 591 HG LEU A 37 6.317 5.797 -10.750 1.00 0.00 H ATOM 592 1HD1 LEU A 37 6.823 8.157 -10.303 1.00 0.00 H ATOM 593 2HD1 LEU A 37 7.123 7.139 -8.875 1.00 0.00 H ATOM 594 3HD1 LEU A 37 8.489 7.716 -9.860 1.00 0.00 H ATOM 595 1HD2 LEU A 37 7.154 7.204 -12.601 1.00 0.00 H ATOM 596 2HD2 LEU A 37 8.826 6.750 -12.191 1.00 0.00 H ATOM 597 3HD2 LEU A 37 7.690 5.517 -12.787 1.00 0.00 H ATOM 598 N ARG A 38 8.500 2.948 -12.446 1.00 0.00 N ATOM 599 CA ARG A 38 8.388 2.509 -13.831 1.00 0.00 C ATOM 600 C ARG A 38 7.469 1.301 -13.954 1.00 0.00 C ATOM 601 O ARG A 38 6.564 1.279 -14.788 1.00 0.00 O ATOM 602 CB ARG A 38 9.758 2.160 -14.395 1.00 0.00 C ATOM 603 CG ARG A 38 9.765 1.773 -15.865 1.00 0.00 C ATOM 604 CD ARG A 38 11.140 1.495 -16.353 1.00 0.00 C ATOM 605 NE ARG A 38 11.964 2.693 -16.364 1.00 0.00 N ATOM 606 CZ ARG A 38 13.265 2.724 -16.712 1.00 0.00 C ATOM 607 NH1 ARG A 38 13.875 1.617 -17.075 1.00 0.00 N ATOM 608 NH2 ARG A 38 13.929 3.867 -16.690 1.00 0.00 N ATOM 609 H ARG A 38 9.417 3.036 -12.030 1.00 0.00 H ATOM 610 HA ARG A 38 7.972 3.327 -14.421 1.00 0.00 H ATOM 611 1HB ARG A 38 10.428 3.010 -14.274 1.00 0.00 H ATOM 612 2HB ARG A 38 10.181 1.328 -13.832 1.00 0.00 H ATOM 613 1HG ARG A 38 9.163 0.876 -16.008 1.00 0.00 H ATOM 614 2HG ARG A 38 9.349 2.588 -16.458 1.00 0.00 H ATOM 615 1HD ARG A 38 11.615 0.761 -15.704 1.00 0.00 H ATOM 616 2HD ARG A 38 11.094 1.105 -17.369 1.00 0.00 H ATOM 617 HE ARG A 38 11.530 3.565 -16.091 1.00 0.00 H ATOM 618 1HH1 ARG A 38 13.368 0.743 -17.092 1.00 0.00 H ATOM 619 2HH1 ARG A 38 14.850 1.640 -17.336 1.00 0.00 H ATOM 620 1HH2 ARG A 38 13.460 4.718 -16.411 1.00 0.00 H ATOM 621 2HH2 ARG A 38 14.904 3.889 -16.950 1.00 0.00 H ATOM 622 N GLU A 39 7.707 0.296 -13.118 1.00 0.00 N ATOM 623 CA GLU A 39 6.871 -0.898 -13.098 1.00 0.00 C ATOM 624 C GLU A 39 5.416 -0.548 -12.811 1.00 0.00 C ATOM 625 O GLU A 39 4.512 -0.979 -13.526 1.00 0.00 O ATOM 626 CB GLU A 39 7.383 -1.891 -12.052 1.00 0.00 C ATOM 627 CG GLU A 39 6.567 -3.172 -11.948 1.00 0.00 C ATOM 628 CD GLU A 39 7.085 -4.111 -10.895 1.00 0.00 C ATOM 629 OE1 GLU A 39 8.103 -3.820 -10.315 1.00 0.00 O ATOM 630 OE2 GLU A 39 6.461 -5.121 -10.669 1.00 0.00 O ATOM 631 H GLU A 39 8.486 0.362 -12.479 1.00 0.00 H ATOM 632 HA GLU A 39 6.929 -1.377 -14.076 1.00 0.00 H ATOM 633 1HB GLU A 39 8.411 -2.167 -12.285 1.00 0.00 H ATOM 634 2HB GLU A 39 7.386 -1.416 -11.071 1.00 0.00 H ATOM 635 1HG GLU A 39 5.535 -2.915 -11.714 1.00 0.00 H ATOM 636 2HG GLU A 39 6.577 -3.675 -12.914 1.00 0.00 H ATOM 637 N TYR A 40 5.198 0.235 -11.760 1.00 0.00 N ATOM 638 CA TYR A 40 3.850 0.615 -11.355 1.00 0.00 C ATOM 639 C TYR A 40 3.120 1.339 -12.479 1.00 0.00 C ATOM 640 O TYR A 40 1.961 1.045 -12.770 1.00 0.00 O ATOM 641 CB TYR A 40 3.895 1.491 -10.101 1.00 0.00 C ATOM 642 CG TYR A 40 2.529 1.888 -9.585 1.00 0.00 C ATOM 643 CD1 TYR A 40 1.820 1.023 -8.765 1.00 0.00 C ATOM 644 CD2 TYR A 40 1.987 3.117 -9.931 1.00 0.00 C ATOM 645 CE1 TYR A 40 0.573 1.386 -8.293 1.00 0.00 C ATOM 646 CE2 TYR A 40 0.740 3.479 -9.460 1.00 0.00 C ATOM 647 CZ TYR A 40 0.035 2.619 -8.644 1.00 0.00 C ATOM 648 OH TYR A 40 -1.207 2.980 -8.174 1.00 0.00 O ATOM 649 H TYR A 40 5.986 0.576 -11.229 1.00 0.00 H ATOM 650 HA TYR A 40 3.296 -0.291 -11.105 1.00 0.00 H ATOM 651 1HB TYR A 40 4.419 0.961 -9.305 1.00 0.00 H ATOM 652 2HB TYR A 40 4.456 2.401 -10.313 1.00 0.00 H ATOM 653 HD1 TYR A 40 2.246 0.057 -8.492 1.00 0.00 H ATOM 654 HD2 TYR A 40 2.544 3.796 -10.577 1.00 0.00 H ATOM 655 HE1 TYR A 40 0.016 0.706 -7.648 1.00 0.00 H ATOM 656 HE2 TYR A 40 0.314 4.444 -9.733 1.00 0.00 H ATOM 657 HH TYR A 40 -1.630 2.217 -7.772 1.00 0.00 H ATOM 658 N ALA A 41 3.806 2.286 -13.109 1.00 0.00 N ATOM 659 CA ALA A 41 3.214 3.076 -14.182 1.00 0.00 C ATOM 660 C ALA A 41 2.864 2.203 -15.380 1.00 0.00 C ATOM 661 O ALA A 41 1.829 2.394 -16.019 1.00 0.00 O ATOM 662 CB ALA A 41 4.157 4.195 -14.600 1.00 0.00 C ATOM 663 H ALA A 41 4.762 2.465 -12.838 1.00 0.00 H ATOM 664 HA ALA A 41 2.299 3.538 -13.808 1.00 0.00 H ATOM 665 1HB ALA A 41 3.701 4.775 -15.402 1.00 0.00 H ATOM 666 2HB ALA A 41 4.352 4.844 -13.747 1.00 0.00 H ATOM 667 3HB ALA A 41 5.095 3.767 -14.951 1.00 0.00 H ATOM 668 N ASN A 42 3.734 1.244 -15.681 1.00 0.00 N ATOM 669 CA ASN A 42 3.535 0.361 -16.824 1.00 0.00 C ATOM 670 C ASN A 42 2.380 -0.601 -16.583 1.00 0.00 C ATOM 671 O ASN A 42 1.618 -0.914 -17.498 1.00 0.00 O ATOM 672 CB ASN A 42 4.809 -0.402 -17.137 1.00 0.00 C ATOM 673 CG ASN A 42 5.859 0.464 -17.778 1.00 0.00 C ATOM 674 OD1 ASN A 42 5.556 1.540 -18.305 1.00 0.00 O ATOM 675 ND2 ASN A 42 7.087 0.014 -17.742 1.00 0.00 N ATOM 676 H ASN A 42 4.553 1.125 -15.103 1.00 0.00 H ATOM 677 HA ASN A 42 3.305 0.972 -17.698 1.00 0.00 H ATOM 678 1HB ASN A 42 5.216 -0.824 -16.217 1.00 0.00 H ATOM 679 2HB ASN A 42 4.582 -1.232 -17.806 1.00 0.00 H ATOM 680 1HD2 ASN A 42 7.827 0.548 -18.153 1.00 0.00 H ATOM 681 2HD2 ASN A 42 7.287 -0.862 -17.305 1.00 0.00 H ATOM 682 N LYS A 43 2.254 -1.068 -15.345 1.00 0.00 N ATOM 683 CA LYS A 43 1.216 -2.028 -14.990 1.00 0.00 C ATOM 684 C LYS A 43 -0.090 -1.325 -14.644 1.00 0.00 C ATOM 685 O LYS A 43 -0.088 -0.197 -14.153 1.00 0.00 O ATOM 686 OXT LYS A 43 -1.139 -1.872 -14.850 1.00 0.00 O ATOM 687 CB LYS A 43 1.670 -2.900 -13.819 1.00 0.00 C ATOM 688 CG LYS A 43 2.809 -3.856 -14.150 1.00 0.00 C ATOM 689 CD LYS A 43 3.189 -4.702 -12.944 1.00 0.00 C ATOM 690 CE LYS A 43 4.237 -5.744 -13.306 1.00 0.00 C ATOM 691 NZ LYS A 43 4.663 -6.539 -12.123 1.00 0.00 N ATOM 692 H LYS A 43 2.893 -0.749 -14.632 1.00 0.00 H ATOM 693 HA LYS A 43 1.030 -2.671 -15.852 1.00 0.00 H ATOM 694 1HB LYS A 43 1.997 -2.263 -12.996 1.00 0.00 H ATOM 695 2HB LYS A 43 0.830 -3.493 -13.459 1.00 0.00 H ATOM 696 1HG LYS A 43 2.506 -4.514 -14.965 1.00 0.00 H ATOM 697 2HG LYS A 43 3.680 -3.286 -14.473 1.00 0.00 H ATOM 698 1HD LYS A 43 3.585 -4.058 -12.158 1.00 0.00 H ATOM 699 2HD LYS A 43 2.303 -5.209 -12.562 1.00 0.00 H ATOM 700 1HE LYS A 43 3.832 -6.421 -14.057 1.00 0.00 H ATOM 701 2HE LYS A 43 5.111 -5.249 -13.729 1.00 0.00 H ATOM 702 1HZ LYS A 43 5.358 -7.217 -12.405 1.00 0.00 H ATOM 703 2HZ LYS A 43 5.058 -5.922 -11.427 1.00 0.00 H ATOM 704 3HZ LYS A 43 3.864 -7.018 -11.733 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE nods_bigger.blueprint.43_try60_pass_20150324013041_0001_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 rama omega fa_dun p_aa_pp ref total weights 0.8 0.44 0.75 0.004 0.7 1 1.17 1.17 1.17 1.1 1 0.2 0.5 0.56 0.32 1 NA pose -167.583 16.0753 97.9376 0.29011 -23.0508 0 -24.2361 -1.62229 -1.04792 -9.31709 0 -6.07291 2.23277 47.7869 -5.97344 -13.6471 -88.2277 THR:NtermProteinFull_1 -2.65031 0.22422 1.894 0.00857 -0.27531 0 0 0 0 0 0 0 0.14078 0.04289 0 0.16454 -0.45062 GLU_2 -2.76909 0.26697 2.16917 0.00495 -1.1051 0 0 0 0 -0.1695 0 -0.26445 0.07568 2.33745 -0.15801 -1.55374 -1.16565 ASP_3 -2.89 0.34337 1.76725 0.00336 -0.10687 0 0 0 0 0 0 -0.11122 0.00796 1.27763 0.04565 -1.28682 -0.9497 GLU_4 -4.62884 0.40643 2.8893 0.00424 -0.37027 0 0 0 0 0 0 -0.25792 0.1368 2.15344 -0.14701 -1.55374 -1.36757 LYS_5 -4.14862 0.30114 2.97247 0.00311 -1.05312 0 0 0 0 -0.1695 0 -0.18162 0.0254 0.84724 -0.04872 -0.28737 -1.73958 LYS_6 -4.24942 0.33557 2.68729 0.01357 -1.12497 0 0 0 0 -0.40043 0 -0.22084 0.11845 2.40905 -0.03129 -0.28737 -0.75039 ILE_7 -6.31478 0.73495 1.97097 0.02187 -0.22361 0 0 0 0 0 0 0.01341 0.01479 0.19314 -0.06548 0.8318 -2.82294 GLN_8 -4.32996 0.3671 2.6539 0.00389 -0.52161 0 0 0 0 -0.48713 0 -0.11915 0.04593 1.98191 -0.09321 -1.17797 -1.6763 GLU_9 -4.88108 0.38838 3.7104 0.00781 -1.9435 0 0 0 0 -0.85945 0 -0.08359 0.01615 2.21873 -0.10268 -1.55374 -3.08256 LEU_10 -5.60358 0.46684 1.89766 0.00664 -0.29504 0 0 0 0 0 0 -0.10404 0.01131 0.26216 -0.12261 0.60233 -2.87834 LEU_11 -4.98329 0.22099 1.81501 0.00657 -0.27845 0 0 0 0 0 0 -0.12675 0.13311 0.192 -0.12458 0.60233 -2.54306 LYS_12 -3.14461 0.37754 1.87394 0.00308 -0.06704 0 0 0 0 0 0 -0.18288 0.01335 0.82977 -0.0429 -0.28737 -0.62713 ARG_13 -3.53966 0.29705 2.2714 0.00959 -0.86438 0 0 0 0 -0.45902 0 -0.23976 8e-05 1.51189 -0.08753 -0.14916 -1.2495 ALA_14 -4.24126 0.7067 1.9993 0.00116 -0.29983 0 0 0 0 0 0 -0.15705 0.01575 0 -0.02633 0.59294 -1.40862 ASN_15 -2.08442 0.49193 1.50202 0.00466 -0.07013 0 0 0 0 0 0 -0.33297 0.16119 1.26989 -0.5354 -0.94198 -0.5352 GLY_16 -1.39486 0.21804 0.89669 1e-05 -0.14436 0 0 0 0 0 0 -0.25756 0.03729 0 -0.80217 0.14053 -1.3064 ASP_17 -4.26776 0.51262 3.2714 0.02049 -1.1183 0 0 0 -0.22489 -0.3869 0 -0.07559 0.11274 1.50198 -0.41108 -1.28682 -2.35212 VAL_18 -3.5774 0.29041 1.74416 0.01569 0.05363 0 0 0 0 0 0 -0.01968 0.1324 -0.00657 -0.0265 0.74484 -0.64903 SER_19 -2.98228 0.17707 2.31306 0.00233 -0.75642 0 0 0 0 -0.3869 0 -0.19797 0.14518 0.45034 0.05174 0.17658 -1.00728 LYS_20 -4.69452 0.54435 2.63473 0.00562 -0.5835 0 0 0 -0.22489 0 0 -0.15202 0.00685 1.02682 -0.03933 -0.28737 -1.76326 ALA_21 -4.73094 0.47678 1.77088 0.00075 -0.17423 0 0 0 0 0 0 -0.20972 0.24044 0 -0.20221 0.59294 -2.2353 GLU_22 -6.24622 0.62193 4.19054 0.00448 -1.54972 0 0 0 0 -1.09569 0 -0.16323 0.00672 2.28179 -0.10528 -1.55374 -3.60842 LYS_23 -3.7928 0.26877 2.26451 0.00311 -0.28508 0 0 0 0 0 0 -0.23167 0.01421 0.76612 -0.04584 -0.28737 -1.32604 LEU_24 -4.49394 0.46752 2.00922 0.00731 -0.35004 0 0 0 -0.29907 0 0 -0.1015 0.16292 0.29896 -0.12095 0.60233 -1.81723 ALA_25 -4.56083 0.38745 2.06131 0.00073 -0.29819 0 0 0 0 0 0 -0.12519 0.01388 0 -0.15224 0.59294 -2.08015 GLN_26 -4.21231 0.55385 2.73678 0.00335 -0.623 0 0 0 0 -0.39913 0 -0.18662 0.00346 2.01377 -0.12694 -1.17797 -1.41476 SER_27 -2.56515 0.3103 2.17826 0.00214 -0.53708 0 0 0 -0.29907 -0.24428 0 -0.27731 0.0011 0.33805 -0.17669 0.17658 -1.09314 GLN_28 -2.82565 0.50391 2.07417 0.00561 -0.22732 0 0 0 0 -0.24428 0 -0.20805 0.00118 1.73705 -0.05518 -1.17797 -0.41651 GLY_29 -1.43702 0.17649 0.98579 1e-05 -0.11666 0 0 0 0 0 0 -0.35768 0.02273 0 -0.79307 0.14053 -1.37887 ASN_30 -3.99241 0.28974 2.45614 0.00435 -0.16709 0 0 0 0 0 0 0.1897 0.02799 1.72624 -0.31962 -0.94198 -0.72693 GLU_31 -3.59598 0.2301 2.84777 0.01119 -1.15331 0 0 0 0 -0.76618 0 -0.21697 0.04121 2.63654 -0.12656 -1.55374 -1.64593 GLU_32 -3.24509 0.30555 2.20868 0.00734 -0.91491 0 0 0 0 -0.51514 0 -0.1275 0.0099 2.21717 -0.09446 -1.55374 -1.7022 LEU_33 -4.36951 0.51793 1.54089 0.00913 -0.13113 0 0 0 0 0 0 -0.05694 0.01644 0.42309 -0.115 0.60233 -1.56278 ALA_34 -4.23549 0.28574 2.06775 0.00073 -0.13408 0 0 0 0 0 0 -0.14575 0.00129 0 -0.18013 0.59294 -1.747 ARG_35 -4.11839 0.25322 2.73021 0.0077 -0.75819 0 0 0 0 -0.36705 0 -0.18541 0.06707 1.34833 -0.09366 -0.14916 -1.26531 ARG_36 -4.54498 0.23485 2.97928 0.00957 -1.15007 0 0 0 0 -0.51514 0 -0.22623 0.10001 1.56955 -0.0973 -0.14916 -1.78962 LEU_37 -6.21975 0.91673 1.87631 0.01319 -0.34726 0 0 0 0 0 0 -0.0575 0.06912 2.39189 -0.11579 0.60233 -0.87074 ARG_38 -4.69568 0.44886 3.5398 0.01101 -1.49101 0 0 0 0 -1.09569 0 0.01841 0.0259 1.89766 -0.09963 -0.14916 -1.58952 GLU_39 -3.94226 0.33635 2.79919 0.00755 -1.09052 0 0 0 0 -0.13429 0 -0.09656 0.01412 2.11747 -0.10939 -1.55374 -1.65208 TYR_40 -4.73799 0.36037 2.36398 0.02599 -0.11642 0 0 0 0 -0.48713 0 -0.03455 0.01085 1.36606 -0.00381 0.1317 -1.12096 ALA_41 -2.67585 0.17131 1.32519 0.00074 -0.04143 0 0 0 0 0 0 -0.19425 0.01245 0 -0.17754 0.59294 -0.98644 ASN_42 -2.43682 0.12975 1.78103 0.00365 0.147 0 0 0 0 0 0 -0.00675 0.01856 1.07801 0.10527 -0.94198 -0.12226 LYS:CtermProteinFull_43 -2.53202 0.1561 2.2158 0.00326 -0.39289 0 0 0 0 -0.13429 0 0 0 1.07945 0 -0.28737 0.10804 #END_POSE_ENERGIES_TABLE nods_bigger.blueprint.43_try60_pass_20150324013041_0001_0001.pdb AlaCount 5 bb -0.037719 buried_minus_exposed 3405.55 buried_np 4945.28 buried_over_exposed 3.21177 cavity_volume 0 contact_all 206 contact_core_SASA 206 contact_core_SCN 206 degree 10.2558 degree_core_SASA 10.2558 degree_core_SCN 10.2558 exposed_hydrophobics 1539.72 holes 1.58839 mismatch_probability 0.145146 one_core_each 1 pack 0.642322 percent_core_SASA 0.0930016 percent_core_SCN 0.116252 res_count_core_SASA 4 res_count_core_SCN 5 ss_sc 0.805076 two_core_each 0.666667 unsat_hbond 1
HHH_rd1_0473.pdb
ATOM 1 N GLN A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA GLN A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C GLN A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O GLN A 1 1.304 2.370 -0.342 1.00 0.00 O ATOM 5 CB GLN A 1 1.994 -0.768 -1.211 1.00 0.00 C ATOM 6 CG GLN A 1 1.567 -2.225 -1.263 1.00 0.00 C ATOM 7 CD GLN A 1 2.096 -3.026 -0.088 1.00 0.00 C ATOM 8 OE1 GLN A 1 3.304 -3.060 0.164 1.00 0.00 O ATOM 9 NE2 GLN A 1 1.194 -3.675 0.639 1.00 0.00 N ATOM 10 1H GLN A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 11 2H GLN A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 12 3H GLN A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 13 HA GLN A 1 1.804 -0.506 0.902 1.00 0.00 H ATOM 14 1HB GLN A 1 1.655 -0.286 -2.127 1.00 0.00 H ATOM 15 2HB GLN A 1 3.083 -0.737 -1.208 1.00 0.00 H ATOM 16 1HG GLN A 1 0.478 -2.275 -1.247 1.00 0.00 H ATOM 17 2HG GLN A 1 1.948 -2.673 -2.180 1.00 0.00 H ATOM 18 1HE2 GLN A 1 1.484 -4.220 1.427 1.00 0.00 H ATOM 19 2HE2 GLN A 1 0.225 -3.621 0.399 1.00 0.00 H ATOM 20 N LYS A 2 3.273 1.559 0.386 1.00 0.00 N ATOM 21 CA LYS A 2 3.917 2.866 0.444 1.00 0.00 C ATOM 22 C LYS A 2 4.053 3.475 -0.946 1.00 0.00 C ATOM 23 O LYS A 2 3.893 4.683 -1.123 1.00 0.00 O ATOM 24 CB LYS A 2 5.291 2.757 1.107 1.00 0.00 C ATOM 25 CG LYS A 2 5.247 2.454 2.599 1.00 0.00 C ATOM 26 CD LYS A 2 6.648 2.326 3.178 1.00 0.00 C ATOM 27 CE LYS A 2 6.606 2.045 4.673 1.00 0.00 C ATOM 28 NZ LYS A 2 7.969 1.883 5.247 1.00 0.00 N ATOM 29 H LYS A 2 3.801 0.738 0.646 1.00 0.00 H ATOM 30 HA LYS A 2 3.303 3.527 1.057 1.00 0.00 H ATOM 31 1HB LYS A 2 5.867 1.969 0.622 1.00 0.00 H ATOM 32 2HB LYS A 2 5.835 3.692 0.971 1.00 0.00 H ATOM 33 1HG LYS A 2 4.720 3.256 3.118 1.00 0.00 H ATOM 34 2HG LYS A 2 4.708 1.522 2.765 1.00 0.00 H ATOM 35 1HD LYS A 2 7.176 1.513 2.678 1.00 0.00 H ATOM 36 2HD LYS A 2 7.198 3.252 3.008 1.00 0.00 H ATOM 37 1HE LYS A 2 6.106 2.867 5.184 1.00 0.00 H ATOM 38 2HE LYS A 2 6.038 1.133 4.856 1.00 0.00 H ATOM 39 1HZ LYS A 2 7.898 1.698 6.238 1.00 0.00 H ATOM 40 2HZ LYS A 2 8.437 1.110 4.793 1.00 0.00 H ATOM 41 3HZ LYS A 2 8.500 2.730 5.101 1.00 0.00 H ATOM 42 N GLU A 3 4.348 2.632 -1.929 1.00 0.00 N ATOM 43 CA GLU A 3 4.491 3.084 -3.308 1.00 0.00 C ATOM 44 C GLU A 3 3.154 3.534 -3.882 1.00 0.00 C ATOM 45 O GLU A 3 3.096 4.449 -4.703 1.00 0.00 O ATOM 46 CB GLU A 3 5.081 1.970 -4.176 1.00 0.00 C ATOM 47 CG GLU A 3 6.515 1.596 -3.830 1.00 0.00 C ATOM 48 CD GLU A 3 7.469 2.751 -3.965 1.00 0.00 C ATOM 49 OE1 GLU A 3 7.447 3.399 -4.983 1.00 0.00 O ATOM 50 OE2 GLU A 3 8.220 2.984 -3.048 1.00 0.00 O ATOM 51 H GLU A 3 4.477 1.654 -1.716 1.00 0.00 H ATOM 52 HA GLU A 3 5.181 3.929 -3.326 1.00 0.00 H ATOM 53 1HB GLU A 3 4.469 1.073 -4.081 1.00 0.00 H ATOM 54 2HB GLU A 3 5.057 2.273 -5.223 1.00 0.00 H ATOM 55 1HG GLU A 3 6.547 1.231 -2.804 1.00 0.00 H ATOM 56 2HG GLU A 3 6.836 0.788 -4.485 1.00 0.00 H ATOM 57 N GLU A 4 2.080 2.886 -3.445 1.00 0.00 N ATOM 58 CA GLU A 4 0.732 3.293 -3.822 1.00 0.00 C ATOM 59 C GLU A 4 0.400 4.674 -3.272 1.00 0.00 C ATOM 60 O GLU A 4 -0.213 5.495 -3.956 1.00 0.00 O ATOM 61 CB GLU A 4 -0.294 2.274 -3.322 1.00 0.00 C ATOM 62 CG GLU A 4 -0.249 0.932 -4.039 1.00 0.00 C ATOM 63 CD GLU A 4 -1.141 -0.100 -3.407 1.00 0.00 C ATOM 64 OE1 GLU A 4 -1.423 0.022 -2.239 1.00 0.00 O ATOM 65 OE2 GLU A 4 -1.540 -1.011 -4.093 1.00 0.00 O ATOM 66 H GLU A 4 2.200 2.090 -2.835 1.00 0.00 H ATOM 67 HA GLU A 4 0.673 3.327 -4.911 1.00 0.00 H ATOM 68 1HB GLU A 4 -0.136 2.090 -2.259 1.00 0.00 H ATOM 69 2HB GLU A 4 -1.298 2.681 -3.438 1.00 0.00 H ATOM 70 1HG GLU A 4 -0.555 1.075 -5.075 1.00 0.00 H ATOM 71 2HG GLU A 4 0.778 0.567 -4.040 1.00 0.00 H ATOM 72 N LEU A 5 0.807 4.926 -2.033 1.00 0.00 N ATOM 73 CA LEU A 5 0.628 6.236 -1.418 1.00 0.00 C ATOM 74 C LEU A 5 1.389 7.312 -2.182 1.00 0.00 C ATOM 75 O LEU A 5 0.913 8.437 -2.327 1.00 0.00 O ATOM 76 CB LEU A 5 1.100 6.205 0.041 1.00 0.00 C ATOM 77 CG LEU A 5 0.234 5.382 1.003 1.00 0.00 C ATOM 78 CD1 LEU A 5 0.936 5.269 2.350 1.00 0.00 C ATOM 79 CD2 LEU A 5 -1.129 6.042 1.151 1.00 0.00 C ATOM 80 H LEU A 5 1.253 4.190 -1.503 1.00 0.00 H ATOM 81 HA LEU A 5 -0.434 6.482 -1.432 1.00 0.00 H ATOM 82 1HB LEU A 5 2.108 5.797 0.072 1.00 0.00 H ATOM 83 2HB LEU A 5 1.132 7.228 0.417 1.00 0.00 H ATOM 84 HG LEU A 5 0.108 4.374 0.608 1.00 0.00 H ATOM 85 1HD1 LEU A 5 0.321 4.684 3.033 1.00 0.00 H ATOM 86 2HD1 LEU A 5 1.899 4.776 2.218 1.00 0.00 H ATOM 87 3HD1 LEU A 5 1.091 6.265 2.763 1.00 0.00 H ATOM 88 1HD2 LEU A 5 -1.745 5.456 1.834 1.00 0.00 H ATOM 89 2HD2 LEU A 5 -1.005 7.049 1.548 1.00 0.00 H ATOM 90 3HD2 LEU A 5 -1.616 6.093 0.177 1.00 0.00 H ATOM 91 N LYS A 6 2.574 6.959 -2.668 1.00 0.00 N ATOM 92 CA LYS A 6 3.373 7.871 -3.477 1.00 0.00 C ATOM 93 C LYS A 6 2.645 8.250 -4.761 1.00 0.00 C ATOM 94 O LYS A 6 2.621 9.417 -5.151 1.00 0.00 O ATOM 95 CB LYS A 6 4.730 7.247 -3.807 1.00 0.00 C ATOM 96 CG LYS A 6 5.673 7.127 -2.617 1.00 0.00 C ATOM 97 CD LYS A 6 6.974 6.444 -3.010 1.00 0.00 C ATOM 98 CE LYS A 6 7.885 6.252 -1.806 1.00 0.00 C ATOM 99 NZ LYS A 6 9.128 5.516 -2.160 1.00 0.00 N ATOM 100 H LYS A 6 2.931 6.034 -2.472 1.00 0.00 H ATOM 101 HA LYS A 6 3.556 8.777 -2.899 1.00 0.00 H ATOM 102 1HB LYS A 6 4.581 6.248 -4.218 1.00 0.00 H ATOM 103 2HB LYS A 6 5.229 7.844 -4.570 1.00 0.00 H ATOM 104 1HG LYS A 6 5.897 8.121 -2.229 1.00 0.00 H ATOM 105 2HG LYS A 6 5.192 6.549 -1.829 1.00 0.00 H ATOM 106 1HD LYS A 6 6.755 5.469 -3.449 1.00 0.00 H ATOM 107 2HD LYS A 6 7.493 7.049 -3.753 1.00 0.00 H ATOM 108 1HE LYS A 6 8.156 7.224 -1.397 1.00 0.00 H ATOM 109 2HE LYS A 6 7.355 5.694 -1.034 1.00 0.00 H ATOM 110 1HZ LYS A 6 9.703 5.409 -1.337 1.00 0.00 H ATOM 111 2HZ LYS A 6 8.888 4.604 -2.524 1.00 0.00 H ATOM 112 3HZ LYS A 6 9.638 6.033 -2.862 1.00 0.00 H ATOM 113 N GLU A 7 2.052 7.256 -5.414 1.00 0.00 N ATOM 114 CA GLU A 7 1.321 7.484 -6.655 1.00 0.00 C ATOM 115 C GLU A 7 0.039 8.267 -6.404 1.00 0.00 C ATOM 116 O GLU A 7 -0.357 9.105 -7.214 1.00 0.00 O ATOM 117 CB GLU A 7 0.991 6.151 -7.332 1.00 0.00 C ATOM 118 CG GLU A 7 2.201 5.411 -7.884 1.00 0.00 C ATOM 119 CD GLU A 7 2.939 6.196 -8.932 1.00 0.00 C ATOM 120 OE1 GLU A 7 2.302 6.715 -9.818 1.00 0.00 O ATOM 121 OE2 GLU A 7 4.142 6.278 -8.848 1.00 0.00 O ATOM 122 H GLU A 7 2.109 6.319 -5.041 1.00 0.00 H ATOM 123 HA GLU A 7 1.956 8.059 -7.330 1.00 0.00 H ATOM 124 1HB GLU A 7 0.494 5.494 -6.618 1.00 0.00 H ATOM 125 2HB GLU A 7 0.299 6.323 -8.156 1.00 0.00 H ATOM 126 1HG GLU A 7 2.884 5.189 -7.065 1.00 0.00 H ATOM 127 2HG GLU A 7 1.871 4.465 -8.311 1.00 0.00 H ATOM 128 N LYS A 8 -0.606 7.991 -5.275 1.00 0.00 N ATOM 129 CA LYS A 8 -1.775 8.754 -4.854 1.00 0.00 C ATOM 130 C LYS A 8 -1.409 10.202 -4.557 1.00 0.00 C ATOM 131 O LYS A 8 -2.176 11.119 -4.853 1.00 0.00 O ATOM 132 CB LYS A 8 -2.419 8.111 -3.625 1.00 0.00 C ATOM 133 CG LYS A 8 -3.135 6.796 -3.905 1.00 0.00 C ATOM 134 CD LYS A 8 -3.702 6.193 -2.629 1.00 0.00 C ATOM 135 CE LYS A 8 -4.409 4.875 -2.905 1.00 0.00 C ATOM 136 NZ LYS A 8 -4.961 4.268 -1.664 1.00 0.00 N ATOM 137 H LYS A 8 -0.278 7.233 -4.694 1.00 0.00 H ATOM 138 HA LYS A 8 -2.508 8.736 -5.661 1.00 0.00 H ATOM 139 1HB LYS A 8 -1.656 7.922 -2.870 1.00 0.00 H ATOM 140 2HB LYS A 8 -3.144 8.801 -3.192 1.00 0.00 H ATOM 141 1HG LYS A 8 -3.950 6.968 -4.609 1.00 0.00 H ATOM 142 2HG LYS A 8 -2.436 6.090 -4.352 1.00 0.00 H ATOM 143 1HD LYS A 8 -2.893 6.020 -1.917 1.00 0.00 H ATOM 144 2HD LYS A 8 -4.412 6.888 -2.182 1.00 0.00 H ATOM 145 1HE LYS A 8 -5.225 5.040 -3.608 1.00 0.00 H ATOM 146 2HE LYS A 8 -3.708 4.173 -3.356 1.00 0.00 H ATOM 147 1HZ LYS A 8 -5.421 3.397 -1.889 1.00 0.00 H ATOM 148 2HZ LYS A 8 -4.210 4.093 -1.011 1.00 0.00 H ATOM 149 3HZ LYS A 8 -5.628 4.902 -1.247 1.00 0.00 H ATOM 150 N ALA A 9 -0.234 10.403 -3.971 1.00 0.00 N ATOM 151 CA ALA A 9 0.272 11.744 -3.707 1.00 0.00 C ATOM 152 C ALA A 9 0.490 12.516 -5.002 1.00 0.00 C ATOM 153 O ALA A 9 0.184 13.705 -5.087 1.00 0.00 O ATOM 154 CB ALA A 9 1.565 11.675 -2.908 1.00 0.00 C ATOM 155 H ALA A 9 0.324 9.605 -3.702 1.00 0.00 H ATOM 156 HA ALA A 9 -0.462 12.278 -3.102 1.00 0.00 H ATOM 157 1HB ALA A 9 1.930 12.685 -2.719 1.00 0.00 H ATOM 158 2HB ALA A 9 1.380 11.172 -1.959 1.00 0.00 H ATOM 159 3HB ALA A 9 2.312 11.120 -3.473 1.00 0.00 H ATOM 160 N LYS A 10 1.021 11.832 -6.010 1.00 0.00 N ATOM 161 CA LYS A 10 1.212 12.430 -7.326 1.00 0.00 C ATOM 162 C LYS A 10 -0.102 12.961 -7.886 1.00 0.00 C ATOM 163 O LYS A 10 -0.165 14.083 -8.388 1.00 0.00 O ATOM 164 CB LYS A 10 1.824 11.415 -8.292 1.00 0.00 C ATOM 165 CG LYS A 10 3.281 11.077 -8.010 1.00 0.00 C ATOM 166 CD LYS A 10 3.795 10.008 -8.963 1.00 0.00 C ATOM 167 CE LYS A 10 5.238 9.636 -8.653 1.00 0.00 C ATOM 168 NZ LYS A 10 5.730 8.537 -9.528 1.00 0.00 N ATOM 169 H LYS A 10 1.299 10.872 -5.861 1.00 0.00 H ATOM 170 HA LYS A 10 1.912 13.261 -7.230 1.00 0.00 H ATOM 171 1HB LYS A 10 1.252 10.487 -8.256 1.00 0.00 H ATOM 172 2HB LYS A 10 1.761 11.798 -9.311 1.00 0.00 H ATOM 173 1HG LYS A 10 3.891 11.974 -8.120 1.00 0.00 H ATOM 174 2HG LYS A 10 3.379 10.716 -6.986 1.00 0.00 H ATOM 175 1HD LYS A 10 3.173 9.116 -8.880 1.00 0.00 H ATOM 176 2HD LYS A 10 3.738 10.376 -9.987 1.00 0.00 H ATOM 177 1HE LYS A 10 5.876 10.507 -8.791 1.00 0.00 H ATOM 178 2HE LYS A 10 5.316 9.317 -7.613 1.00 0.00 H ATOM 179 1HZ LYS A 10 6.687 8.320 -9.290 1.00 0.00 H ATOM 180 2HZ LYS A 10 5.156 7.716 -9.394 1.00 0.00 H ATOM 181 3HZ LYS A 10 5.680 8.828 -10.494 1.00 0.00 H ATOM 182 N GLU A 11 -1.149 12.148 -7.796 1.00 0.00 N ATOM 183 CA GLU A 11 -2.483 12.569 -8.204 1.00 0.00 C ATOM 184 C GLU A 11 -2.953 13.772 -7.396 1.00 0.00 C ATOM 185 O GLU A 11 -3.469 14.742 -7.950 1.00 0.00 O ATOM 186 CB GLU A 11 -3.478 11.417 -8.047 1.00 0.00 C ATOM 187 CG GLU A 11 -4.902 11.755 -8.464 1.00 0.00 C ATOM 188 CD GLU A 11 -5.842 10.588 -8.337 1.00 0.00 C ATOM 189 OE1 GLU A 11 -5.374 9.493 -8.136 1.00 0.00 O ATOM 190 OE2 GLU A 11 -7.028 10.792 -8.441 1.00 0.00 O ATOM 191 H GLU A 11 -1.017 11.214 -7.435 1.00 0.00 H ATOM 192 HA GLU A 11 -2.451 12.848 -9.258 1.00 0.00 H ATOM 193 1HB GLU A 11 -3.148 10.567 -8.645 1.00 0.00 H ATOM 194 2HB GLU A 11 -3.501 11.095 -7.006 1.00 0.00 H ATOM 195 1HG GLU A 11 -5.268 12.570 -7.840 1.00 0.00 H ATOM 196 2HG GLU A 11 -4.896 12.099 -9.497 1.00 0.00 H ATOM 197 N ALA A 12 -2.771 13.702 -6.081 1.00 0.00 N ATOM 198 CA ALA A 12 -3.201 14.773 -5.190 1.00 0.00 C ATOM 199 C ALA A 12 -2.564 16.101 -5.577 1.00 0.00 C ATOM 200 O ALA A 12 -3.229 17.136 -5.601 1.00 0.00 O ATOM 201 CB ALA A 12 -2.868 14.427 -3.746 1.00 0.00 C ATOM 202 H ALA A 12 -2.323 12.886 -5.689 1.00 0.00 H ATOM 203 HA ALA A 12 -4.285 14.870 -5.265 1.00 0.00 H ATOM 204 1HB ALA A 12 -3.196 15.236 -3.094 1.00 0.00 H ATOM 205 2HB ALA A 12 -3.379 13.505 -3.466 1.00 0.00 H ATOM 206 3HB ALA A 12 -1.793 14.291 -3.644 1.00 0.00 H ATOM 207 N VAL A 13 -1.270 16.065 -5.879 1.00 0.00 N ATOM 208 CA VAL A 13 -0.556 17.252 -6.332 1.00 0.00 C ATOM 209 C VAL A 13 -1.161 17.804 -7.616 1.00 0.00 C ATOM 210 O VAL A 13 -1.351 19.012 -7.755 1.00 0.00 O ATOM 211 CB VAL A 13 0.931 16.924 -6.568 1.00 0.00 C ATOM 212 CG1 VAL A 13 1.630 18.086 -7.258 1.00 0.00 C ATOM 213 CG2 VAL A 13 1.605 16.597 -5.245 1.00 0.00 C ATOM 214 H VAL A 13 -0.769 15.192 -5.794 1.00 0.00 H ATOM 215 HA VAL A 13 -0.627 18.015 -5.556 1.00 0.00 H ATOM 216 HB VAL A 13 1.002 16.065 -7.235 1.00 0.00 H ATOM 217 1HG1 VAL A 13 2.679 17.837 -7.417 1.00 0.00 H ATOM 218 2HG1 VAL A 13 1.153 18.279 -8.219 1.00 0.00 H ATOM 219 3HG1 VAL A 13 1.560 18.976 -6.632 1.00 0.00 H ATOM 220 1HG2 VAL A 13 2.656 16.365 -5.419 1.00 0.00 H ATOM 221 2HG2 VAL A 13 1.529 17.454 -4.576 1.00 0.00 H ATOM 222 3HG2 VAL A 13 1.115 15.737 -4.789 1.00 0.00 H ATOM 223 N LYS A 14 -1.463 16.911 -8.553 1.00 0.00 N ATOM 224 CA LYS A 14 -2.078 17.304 -9.815 1.00 0.00 C ATOM 225 C LYS A 14 -3.445 17.936 -9.590 1.00 0.00 C ATOM 226 O LYS A 14 -3.874 18.800 -10.355 1.00 0.00 O ATOM 227 CB LYS A 14 -2.203 16.098 -10.748 1.00 0.00 C ATOM 228 CG LYS A 14 -0.878 15.585 -11.295 1.00 0.00 C ATOM 229 CD LYS A 14 -1.080 14.361 -12.176 1.00 0.00 C ATOM 230 CE LYS A 14 0.244 13.841 -12.715 1.00 0.00 C ATOM 231 NZ LYS A 14 0.063 12.634 -13.566 1.00 0.00 N ATOM 232 H LYS A 14 -1.262 15.936 -8.386 1.00 0.00 H ATOM 233 HA LYS A 14 -1.431 18.034 -10.303 1.00 0.00 H ATOM 234 1HB LYS A 14 -2.687 15.277 -10.217 1.00 0.00 H ATOM 235 2HB LYS A 14 -2.837 16.358 -11.596 1.00 0.00 H ATOM 236 1HG LYS A 14 -0.398 16.369 -11.882 1.00 0.00 H ATOM 237 2HG LYS A 14 -0.220 15.321 -10.467 1.00 0.00 H ATOM 238 1HD LYS A 14 -1.563 13.572 -11.598 1.00 0.00 H ATOM 239 2HD LYS A 14 -1.726 14.620 -13.015 1.00 0.00 H ATOM 240 1HE LYS A 14 0.727 14.618 -13.306 1.00 0.00 H ATOM 241 2HE LYS A 14 0.901 13.587 -11.883 1.00 0.00 H ATOM 242 1HZ LYS A 14 0.963 12.321 -13.903 1.00 0.00 H ATOM 243 2HZ LYS A 14 -0.368 11.899 -13.023 1.00 0.00 H ATOM 244 3HZ LYS A 14 -0.529 12.862 -14.352 1.00 0.00 H ATOM 245 N ARG A 15 -4.126 17.501 -8.535 1.00 0.00 N ATOM 246 CA ARG A 15 -5.441 18.032 -8.199 1.00 0.00 C ATOM 247 C ARG A 15 -5.326 19.316 -7.387 1.00 0.00 C ATOM 248 O ARG A 15 -6.326 19.978 -7.110 1.00 0.00 O ATOM 249 CB ARG A 15 -6.248 17.009 -7.414 1.00 0.00 C ATOM 250 CG ARG A 15 -6.681 15.788 -8.210 1.00 0.00 C ATOM 251 CD ARG A 15 -7.531 14.877 -7.400 1.00 0.00 C ATOM 252 NE ARG A 15 -7.898 13.679 -8.138 1.00 0.00 N ATOM 253 CZ ARG A 15 -8.930 13.598 -9.000 1.00 0.00 C ATOM 254 NH1 ARG A 15 -9.686 14.650 -9.222 1.00 0.00 N ATOM 255 NH2 ARG A 15 -9.182 12.460 -9.623 1.00 0.00 N ATOM 256 H ARG A 15 -3.721 16.784 -7.950 1.00 0.00 H ATOM 257 HA ARG A 15 -5.965 18.270 -9.126 1.00 0.00 H ATOM 258 1HB ARG A 15 -5.662 16.658 -6.565 1.00 0.00 H ATOM 259 2HB ARG A 15 -7.147 17.480 -7.017 1.00 0.00 H ATOM 260 1HG ARG A 15 -7.253 16.106 -9.082 1.00 0.00 H ATOM 261 2HG ARG A 15 -5.800 15.235 -8.536 1.00 0.00 H ATOM 262 1HD ARG A 15 -6.989 14.574 -6.505 1.00 0.00 H ATOM 263 2HD ARG A 15 -8.446 15.394 -7.113 1.00 0.00 H ATOM 264 HE ARG A 15 -7.339 12.849 -7.994 1.00 0.00 H ATOM 265 1HH1 ARG A 15 -9.493 15.520 -8.745 1.00 0.00 H ATOM 266 2HH1 ARG A 15 -10.459 14.589 -9.868 1.00 0.00 H ATOM 267 1HH2 ARG A 15 -8.600 11.651 -9.453 1.00 0.00 H ATOM 268 2HH2 ARG A 15 -9.955 12.399 -10.269 1.00 0.00 H ATOM 269 N GLY A 16 -4.101 19.662 -7.007 1.00 0.00 N ATOM 270 CA GLY A 16 -3.853 20.868 -6.227 1.00 0.00 C ATOM 271 C GLY A 16 -3.779 20.556 -4.738 1.00 0.00 C ATOM 272 O GLY A 16 -3.429 21.416 -3.930 1.00 0.00 O ATOM 273 H GLY A 16 -3.321 19.074 -7.266 1.00 0.00 H ATOM 274 1HA GLY A 16 -2.919 21.327 -6.553 1.00 0.00 H ATOM 275 2HA GLY A 16 -4.647 21.591 -6.412 1.00 0.00 H ATOM 276 N ASN A 17 -4.111 19.320 -4.381 1.00 0.00 N ATOM 277 CA ASN A 17 -4.179 18.919 -2.981 1.00 0.00 C ATOM 278 C ASN A 17 -2.804 18.532 -2.451 1.00 0.00 C ATOM 279 O ASN A 17 -2.554 17.368 -2.140 1.00 0.00 O ATOM 280 CB ASN A 17 -5.162 17.778 -2.799 1.00 0.00 C ATOM 281 CG ASN A 17 -6.581 18.187 -3.081 1.00 0.00 C ATOM 282 OD1 ASN A 17 -7.013 19.280 -2.697 1.00 0.00 O ATOM 283 ND2 ASN A 17 -7.314 17.331 -3.746 1.00 0.00 N ATOM 284 H ASN A 17 -4.321 18.640 -5.098 1.00 0.00 H ATOM 285 HA ASN A 17 -4.523 19.772 -2.393 1.00 0.00 H ATOM 286 1HB ASN A 17 -4.894 16.957 -3.465 1.00 0.00 H ATOM 287 2HB ASN A 17 -5.101 17.404 -1.777 1.00 0.00 H ATOM 288 1HD2 ASN A 17 -8.266 17.550 -3.963 1.00 0.00 H ATOM 289 2HD2 ASN A 17 -6.923 16.459 -4.038 1.00 0.00 H ATOM 290 N LYS A 18 -1.915 19.515 -2.352 1.00 0.00 N ATOM 291 CA LYS A 18 -0.552 19.272 -1.894 1.00 0.00 C ATOM 292 C LYS A 18 -0.528 18.859 -0.428 1.00 0.00 C ATOM 293 O LYS A 18 0.336 18.093 -0.003 1.00 0.00 O ATOM 294 CB LYS A 18 0.313 20.515 -2.105 1.00 0.00 C ATOM 295 CG LYS A 18 0.631 20.821 -3.562 1.00 0.00 C ATOM 296 CD LYS A 18 1.499 22.064 -3.690 1.00 0.00 C ATOM 297 CE LYS A 18 1.929 22.295 -5.131 1.00 0.00 C ATOM 298 NZ LYS A 18 2.753 23.526 -5.276 1.00 0.00 N ATOM 299 H LYS A 18 -2.191 20.454 -2.599 1.00 0.00 H ATOM 300 HA LYS A 18 -0.125 18.465 -2.492 1.00 0.00 H ATOM 301 1HB LYS A 18 -0.191 21.385 -1.683 1.00 0.00 H ATOM 302 2HB LYS A 18 1.258 20.396 -1.574 1.00 0.00 H ATOM 303 1HG LYS A 18 1.157 19.974 -4.005 1.00 0.00 H ATOM 304 2HG LYS A 18 -0.296 20.977 -4.112 1.00 0.00 H ATOM 305 1HD LYS A 18 0.940 22.935 -3.342 1.00 0.00 H ATOM 306 2HD LYS A 18 2.388 21.953 -3.069 1.00 0.00 H ATOM 307 1HE LYS A 18 2.509 21.441 -5.478 1.00 0.00 H ATOM 308 2HE LYS A 18 1.046 22.388 -5.764 1.00 0.00 H ATOM 309 1HZ LYS A 18 3.017 23.643 -6.244 1.00 0.00 H ATOM 310 2HZ LYS A 18 2.217 24.328 -4.974 1.00 0.00 H ATOM 311 3HZ LYS A 18 3.584 23.444 -4.708 1.00 0.00 H ATOM 312 N ASP A 19 -1.483 19.371 0.341 1.00 0.00 N ATOM 313 CA ASP A 19 -1.636 18.978 1.737 1.00 0.00 C ATOM 314 C ASP A 19 -1.938 17.490 1.860 1.00 0.00 C ATOM 315 O ASP A 19 -1.375 16.801 2.710 1.00 0.00 O ATOM 316 CB ASP A 19 -2.750 19.788 2.403 1.00 0.00 C ATOM 317 CG ASP A 19 -2.351 21.232 2.677 1.00 0.00 C ATOM 318 OD1 ASP A 19 -1.177 21.493 2.784 1.00 0.00 O ATOM 319 OD2 ASP A 19 -3.225 22.060 2.776 1.00 0.00 O ATOM 320 H ASP A 19 -2.119 20.051 -0.051 1.00 0.00 H ATOM 321 HA ASP A 19 -0.703 19.190 2.260 1.00 0.00 H ATOM 322 1HB ASP A 19 -3.634 19.785 1.765 1.00 0.00 H ATOM 323 2HB ASP A 19 -3.027 19.318 3.347 1.00 0.00 H ATOM 324 N LYS A 20 -2.830 17.000 1.005 1.00 0.00 N ATOM 325 CA LYS A 20 -3.142 15.577 0.956 1.00 0.00 C ATOM 326 C LYS A 20 -1.927 14.760 0.534 1.00 0.00 C ATOM 327 O LYS A 20 -1.635 13.717 1.118 1.00 0.00 O ATOM 328 CB LYS A 20 -4.308 15.317 0.001 1.00 0.00 C ATOM 329 CG LYS A 20 -4.735 13.858 -0.088 1.00 0.00 C ATOM 330 CD LYS A 20 -5.955 13.692 -0.982 1.00 0.00 C ATOM 331 CE LYS A 20 -6.376 12.234 -1.080 1.00 0.00 C ATOM 332 NZ LYS A 20 -7.592 12.061 -1.921 1.00 0.00 N ATOM 333 H LYS A 20 -3.303 17.630 0.373 1.00 0.00 H ATOM 334 HA LYS A 20 -3.450 15.256 1.952 1.00 0.00 H ATOM 335 1HB LYS A 20 -5.174 15.900 0.317 1.00 0.00 H ATOM 336 2HB LYS A 20 -4.038 15.648 -1.002 1.00 0.00 H ATOM 337 1HG LYS A 20 -3.915 13.263 -0.493 1.00 0.00 H ATOM 338 2HG LYS A 20 -4.972 13.486 0.909 1.00 0.00 H ATOM 339 1HD LYS A 20 -6.784 14.275 -0.577 1.00 0.00 H ATOM 340 2HD LYS A 20 -5.727 14.063 -1.981 1.00 0.00 H ATOM 341 1HE LYS A 20 -5.565 11.649 -1.512 1.00 0.00 H ATOM 342 2HE LYS A 20 -6.583 11.846 -0.083 1.00 0.00 H ATOM 343 1HZ LYS A 20 -7.838 11.082 -1.961 1.00 0.00 H ATOM 344 2HZ LYS A 20 -8.357 12.584 -1.519 1.00 0.00 H ATOM 345 3HZ LYS A 20 -7.407 12.399 -2.855 1.00 0.00 H ATOM 346 N ALA A 21 -1.222 15.242 -0.484 1.00 0.00 N ATOM 347 CA ALA A 21 -0.017 14.576 -0.964 1.00 0.00 C ATOM 348 C ALA A 21 1.011 14.427 0.151 1.00 0.00 C ATOM 349 O ALA A 21 1.618 13.369 0.310 1.00 0.00 O ATOM 350 CB ALA A 21 0.581 15.342 -2.135 1.00 0.00 C ATOM 351 H ALA A 21 -1.529 16.091 -0.938 1.00 0.00 H ATOM 352 HA ALA A 21 -0.289 13.583 -1.323 1.00 0.00 H ATOM 353 1HB ALA A 21 1.480 14.833 -2.482 1.00 0.00 H ATOM 354 2HB ALA A 21 -0.145 15.390 -2.947 1.00 0.00 H ATOM 355 3HB ALA A 21 0.836 16.352 -1.817 1.00 0.00 H ATOM 356 N ARG A 22 1.201 15.494 0.920 1.00 0.00 N ATOM 357 CA ARG A 22 2.134 15.474 2.040 1.00 0.00 C ATOM 358 C ARG A 22 1.718 14.447 3.085 1.00 0.00 C ATOM 359 O ARG A 22 2.551 13.701 3.601 1.00 0.00 O ATOM 360 CB ARG A 22 2.219 16.848 2.690 1.00 0.00 C ATOM 361 CG ARG A 22 3.265 16.973 3.786 1.00 0.00 C ATOM 362 CD ARG A 22 3.385 18.370 4.274 1.00 0.00 C ATOM 363 NE ARG A 22 2.160 18.830 4.909 1.00 0.00 N ATOM 364 CZ ARG A 22 1.280 19.681 4.347 1.00 0.00 C ATOM 365 NH1 ARG A 22 1.502 20.155 3.141 1.00 0.00 N ATOM 366 NH2 ARG A 22 0.193 20.039 5.008 1.00 0.00 N ATOM 367 H ARG A 22 0.685 16.340 0.723 1.00 0.00 H ATOM 368 HA ARG A 22 3.122 15.209 1.663 1.00 0.00 H ATOM 369 1HB ARG A 22 2.446 17.595 1.931 1.00 0.00 H ATOM 370 2HB ARG A 22 1.253 17.105 3.124 1.00 0.00 H ATOM 371 1HG ARG A 22 2.987 16.338 4.628 1.00 0.00 H ATOM 372 2HG ARG A 22 4.236 16.659 3.400 1.00 0.00 H ATOM 373 1HD ARG A 22 4.191 18.433 5.004 1.00 0.00 H ATOM 374 2HD ARG A 22 3.603 19.031 3.436 1.00 0.00 H ATOM 375 HE ARG A 22 1.955 18.487 5.838 1.00 0.00 H ATOM 376 1HH1 ARG A 22 2.333 19.881 2.636 1.00 0.00 H ATOM 377 2HH1 ARG A 22 0.842 20.792 2.720 1.00 0.00 H ATOM 378 1HH2 ARG A 22 0.022 19.674 5.935 1.00 0.00 H ATOM 379 2HH2 ARG A 22 -0.467 20.676 4.586 1.00 0.00 H ATOM 380 N GLU A 23 0.426 14.413 3.393 1.00 0.00 N ATOM 381 CA GLU A 23 -0.115 13.425 4.319 1.00 0.00 C ATOM 382 C GLU A 23 0.155 12.007 3.831 1.00 0.00 C ATOM 383 O GLU A 23 0.624 11.158 4.590 1.00 0.00 O ATOM 384 CB GLU A 23 -1.620 13.634 4.502 1.00 0.00 C ATOM 385 CG GLU A 23 -2.287 12.623 5.424 1.00 0.00 C ATOM 386 CD GLU A 23 -3.773 12.820 5.530 1.00 0.00 C ATOM 387 OE1 GLU A 23 -4.231 13.903 5.254 1.00 0.00 O ATOM 388 OE2 GLU A 23 -4.452 11.887 5.888 1.00 0.00 O ATOM 389 H GLU A 23 -0.197 15.088 2.974 1.00 0.00 H ATOM 390 HA GLU A 23 0.367 13.559 5.288 1.00 0.00 H ATOM 391 1HB GLU A 23 -1.802 14.629 4.909 1.00 0.00 H ATOM 392 2HB GLU A 23 -2.115 13.580 3.533 1.00 0.00 H ATOM 393 1HG GLU A 23 -2.091 11.619 5.048 1.00 0.00 H ATOM 394 2HG GLU A 23 -1.843 12.703 6.416 1.00 0.00 H ATOM 395 N LEU A 24 -0.144 11.757 2.561 1.00 0.00 N ATOM 396 CA LEU A 24 0.015 10.427 1.984 1.00 0.00 C ATOM 397 C LEU A 24 1.470 9.976 2.033 1.00 0.00 C ATOM 398 O LEU A 24 1.761 8.820 2.342 1.00 0.00 O ATOM 399 CB LEU A 24 -0.481 10.416 0.533 1.00 0.00 C ATOM 400 CG LEU A 24 -1.994 10.590 0.347 1.00 0.00 C ATOM 401 CD1 LEU A 24 -2.300 10.826 -1.126 1.00 0.00 C ATOM 402 CD2 LEU A 24 -2.715 9.354 0.864 1.00 0.00 C ATOM 403 H LEU A 24 -0.490 12.507 1.980 1.00 0.00 H ATOM 404 HA LEU A 24 -0.588 9.725 2.561 1.00 0.00 H ATOM 405 1HB LEU A 24 0.014 11.219 -0.010 1.00 0.00 H ATOM 406 2HB LEU A 24 -0.198 9.468 0.076 1.00 0.00 H ATOM 407 HG LEU A 24 -2.331 11.466 0.902 1.00 0.00 H ATOM 408 1HD1 LEU A 24 -3.375 10.950 -1.259 1.00 0.00 H ATOM 409 2HD1 LEU A 24 -1.788 11.727 -1.465 1.00 0.00 H ATOM 410 3HD1 LEU A 24 -1.959 9.972 -1.710 1.00 0.00 H ATOM 411 1HD2 LEU A 24 -3.791 9.478 0.732 1.00 0.00 H ATOM 412 2HD2 LEU A 24 -2.380 8.478 0.308 1.00 0.00 H ATOM 413 3HD2 LEU A 24 -2.493 9.219 1.922 1.00 0.00 H ATOM 414 N LEU A 25 2.379 10.894 1.727 1.00 0.00 N ATOM 415 CA LEU A 25 3.808 10.609 1.790 1.00 0.00 C ATOM 416 C LEU A 25 4.265 10.403 3.228 1.00 0.00 C ATOM 417 O LEU A 25 5.125 9.565 3.502 1.00 0.00 O ATOM 418 CB LEU A 25 4.606 11.753 1.152 1.00 0.00 C ATOM 419 CG LEU A 25 4.435 11.919 -0.363 1.00 0.00 C ATOM 420 CD1 LEU A 25 5.091 13.219 -0.809 1.00 0.00 C ATOM 421 CD2 LEU A 25 5.049 10.724 -1.077 1.00 0.00 C ATOM 422 H LEU A 25 2.074 11.814 1.442 1.00 0.00 H ATOM 423 HA LEU A 25 4.003 9.696 1.226 1.00 0.00 H ATOM 424 1HB LEU A 25 4.308 12.689 1.623 1.00 0.00 H ATOM 425 2HB LEU A 25 5.665 11.591 1.351 1.00 0.00 H ATOM 426 HG LEU A 25 3.374 11.981 -0.606 1.00 0.00 H ATOM 427 1HD1 LEU A 25 4.970 13.337 -1.886 1.00 0.00 H ATOM 428 2HD1 LEU A 25 4.620 14.058 -0.298 1.00 0.00 H ATOM 429 3HD1 LEU A 25 6.152 13.193 -0.565 1.00 0.00 H ATOM 430 1HD2 LEU A 25 4.927 10.842 -2.155 1.00 0.00 H ATOM 431 2HD2 LEU A 25 6.110 10.662 -0.837 1.00 0.00 H ATOM 432 3HD2 LEU A 25 4.549 9.811 -0.753 1.00 0.00 H ATOM 433 N LYS A 26 3.685 11.171 4.144 1.00 0.00 N ATOM 434 CA LYS A 26 3.921 10.975 5.569 1.00 0.00 C ATOM 435 C LYS A 26 3.469 9.592 6.018 1.00 0.00 C ATOM 436 O LYS A 26 4.143 8.934 6.811 1.00 0.00 O ATOM 437 CB LYS A 26 3.204 12.053 6.384 1.00 0.00 C ATOM 438 CG LYS A 26 3.457 11.980 7.884 1.00 0.00 C ATOM 439 CD LYS A 26 2.797 13.140 8.613 1.00 0.00 C ATOM 440 CE LYS A 26 3.051 13.071 10.112 1.00 0.00 C ATOM 441 NZ LYS A 26 2.468 14.236 10.830 1.00 0.00 N ATOM 442 H LYS A 26 3.065 11.910 3.845 1.00 0.00 H ATOM 443 HA LYS A 26 4.991 11.072 5.760 1.00 0.00 H ATOM 444 1HB LYS A 26 3.518 13.039 6.040 1.00 0.00 H ATOM 445 2HB LYS A 26 2.129 11.976 6.222 1.00 0.00 H ATOM 446 1HG LYS A 26 3.059 11.043 8.275 1.00 0.00 H ATOM 447 2HG LYS A 26 4.530 12.006 8.074 1.00 0.00 H ATOM 448 1HD LYS A 26 3.191 14.083 8.230 1.00 0.00 H ATOM 449 2HD LYS A 26 1.722 13.117 8.435 1.00 0.00 H ATOM 450 1HE LYS A 26 2.614 12.157 10.512 1.00 0.00 H ATOM 451 2HE LYS A 26 4.124 13.045 10.298 1.00 0.00 H ATOM 452 1HZ LYS A 26 2.658 14.153 11.819 1.00 0.00 H ATOM 453 2HZ LYS A 26 2.881 15.089 10.479 1.00 0.00 H ATOM 454 3HZ LYS A 26 1.470 14.260 10.681 1.00 0.00 H ATOM 455 N ARG A 27 2.323 9.154 5.505 1.00 0.00 N ATOM 456 CA ARG A 27 1.814 7.819 5.795 1.00 0.00 C ATOM 457 C ARG A 27 2.719 6.745 5.205 1.00 0.00 C ATOM 458 O ARG A 27 2.754 5.614 5.691 1.00 0.00 O ATOM 459 CB ARG A 27 0.406 7.652 5.244 1.00 0.00 C ATOM 460 CG ARG A 27 -0.666 8.441 5.978 1.00 0.00 C ATOM 461 CD ARG A 27 -2.003 8.259 5.358 1.00 0.00 C ATOM 462 NE ARG A 27 -3.019 9.070 6.010 1.00 0.00 N ATOM 463 CZ ARG A 27 -3.690 8.709 7.121 1.00 0.00 C ATOM 464 NH1 ARG A 27 -3.442 7.550 7.691 1.00 0.00 N ATOM 465 NH2 ARG A 27 -4.596 9.519 7.639 1.00 0.00 N ATOM 466 H ARG A 27 1.792 9.762 4.899 1.00 0.00 H ATOM 467 HA ARG A 27 1.778 7.690 6.878 1.00 0.00 H ATOM 468 1HB ARG A 27 0.385 7.960 4.200 1.00 0.00 H ATOM 469 2HB ARG A 27 0.124 6.599 5.281 1.00 0.00 H ATOM 470 1HG ARG A 27 -0.720 8.105 7.014 1.00 0.00 H ATOM 471 2HG ARG A 27 -0.418 9.503 5.953 1.00 0.00 H ATOM 472 1HD ARG A 27 -1.960 8.547 4.308 1.00 0.00 H ATOM 473 2HD ARG A 27 -2.301 7.214 5.435 1.00 0.00 H ATOM 474 HE ARG A 27 -3.237 9.969 5.601 1.00 0.00 H ATOM 475 1HH1 ARG A 27 -2.749 6.930 7.295 1.00 0.00 H ATOM 476 2HH1 ARG A 27 -3.945 7.279 8.523 1.00 0.00 H ATOM 477 1HH2 ARG A 27 -4.787 10.410 7.201 1.00 0.00 H ATOM 478 2HH2 ARG A 27 -5.099 9.248 8.471 1.00 0.00 H ATOM 479 N ALA A 28 3.449 7.104 4.155 1.00 0.00 N ATOM 480 CA ALA A 28 4.420 6.200 3.551 1.00 0.00 C ATOM 481 C ALA A 28 5.725 6.189 4.336 1.00 0.00 C ATOM 482 O ALA A 28 6.666 5.476 3.986 1.00 0.00 O ATOM 483 CB ALA A 28 4.676 6.588 2.103 1.00 0.00 C ATOM 484 H ALA A 28 3.328 8.028 3.765 1.00 0.00 H ATOM 485 HA ALA A 28 4.007 5.191 3.564 1.00 0.00 H ATOM 486 1HB ALA A 28 5.403 5.904 1.666 1.00 0.00 H ATOM 487 2HB ALA A 28 3.744 6.534 1.541 1.00 0.00 H ATOM 488 3HB ALA A 28 5.066 7.604 2.062 1.00 0.00 H ATOM 489 N GLY A 29 5.777 6.984 5.399 1.00 0.00 N ATOM 490 CA GLY A 29 6.935 7.005 6.285 1.00 0.00 C ATOM 491 C GLY A 29 7.969 8.020 5.815 1.00 0.00 C ATOM 492 O GLY A 29 9.171 7.823 5.993 1.00 0.00 O ATOM 493 H GLY A 29 4.994 7.590 5.599 1.00 0.00 H ATOM 494 1HA GLY A 29 6.614 7.249 7.298 1.00 0.00 H ATOM 495 2HA GLY A 29 7.384 6.013 6.320 1.00 0.00 H ATOM 496 N ILE A 30 7.495 9.106 5.215 1.00 0.00 N ATOM 497 CA ILE A 30 8.378 10.152 4.713 1.00 0.00 C ATOM 498 C ILE A 30 8.219 11.439 5.512 1.00 0.00 C ATOM 499 O ILE A 30 7.102 11.903 5.743 1.00 0.00 O ATOM 500 CB ILE A 30 8.104 10.434 3.224 1.00 0.00 C ATOM 501 CG1 ILE A 30 8.313 9.165 2.393 1.00 0.00 C ATOM 502 CG2 ILE A 30 8.999 11.556 2.722 1.00 0.00 C ATOM 503 CD1 ILE A 30 7.779 9.264 0.983 1.00 0.00 C ATOM 504 H ILE A 30 6.496 9.211 5.104 1.00 0.00 H ATOM 505 HA ILE A 30 9.408 9.811 4.812 1.00 0.00 H ATOM 506 HB ILE A 30 7.063 10.727 3.095 1.00 0.00 H ATOM 507 1HG1 ILE A 30 9.377 8.937 2.339 1.00 0.00 H ATOM 508 2HG1 ILE A 30 7.824 8.324 2.884 1.00 0.00 H ATOM 509 1HG2 ILE A 30 8.793 11.742 1.668 1.00 0.00 H ATOM 510 2HG2 ILE A 30 8.803 12.462 3.295 1.00 0.00 H ATOM 511 3HG2 ILE A 30 10.044 11.270 2.842 1.00 0.00 H ATOM 512 1HD1 ILE A 30 7.963 8.327 0.457 1.00 0.00 H ATOM 513 2HD1 ILE A 30 6.706 9.458 1.013 1.00 0.00 H ATOM 514 3HD1 ILE A 30 8.280 10.077 0.460 1.00 0.00 H ATOM 515 N SER A 31 9.342 12.012 5.931 1.00 0.00 N ATOM 516 CA SER A 31 9.330 13.258 6.688 1.00 0.00 C ATOM 517 C SER A 31 8.554 14.342 5.951 1.00 0.00 C ATOM 518 O SER A 31 8.595 14.423 4.724 1.00 0.00 O ATOM 519 CB SER A 31 10.749 13.726 6.945 1.00 0.00 C ATOM 520 OG SER A 31 10.759 14.979 7.573 1.00 0.00 O ATOM 521 H SER A 31 10.227 11.573 5.720 1.00 0.00 H ATOM 522 HA SER A 31 8.834 13.079 7.642 1.00 0.00 H ATOM 523 1HB SER A 31 11.264 12.998 7.572 1.00 0.00 H ATOM 524 2HB SER A 31 11.289 13.785 6.001 1.00 0.00 H ATOM 525 HG SER A 31 11.621 15.060 7.988 1.00 0.00 H ATOM 526 N GLU A 32 7.847 15.175 6.708 1.00 0.00 N ATOM 527 CA GLU A 32 6.946 16.162 6.126 1.00 0.00 C ATOM 528 C GLU A 32 7.692 17.102 5.187 1.00 0.00 C ATOM 529 O GLU A 32 7.199 17.440 4.111 1.00 0.00 O ATOM 530 CB GLU A 32 6.254 16.968 7.227 1.00 0.00 C ATOM 531 CG GLU A 32 5.229 16.182 8.033 1.00 0.00 C ATOM 532 CD GLU A 32 4.613 16.989 9.141 1.00 0.00 C ATOM 533 OE1 GLU A 32 5.046 18.095 9.357 1.00 0.00 O ATOM 534 OE2 GLU A 32 3.707 16.498 9.773 1.00 0.00 O ATOM 535 H GLU A 32 7.936 15.122 7.713 1.00 0.00 H ATOM 536 HA GLU A 32 6.178 15.637 5.557 1.00 0.00 H ATOM 537 1HB GLU A 32 7.002 17.352 7.922 1.00 0.00 H ATOM 538 2HB GLU A 32 5.747 17.826 6.786 1.00 0.00 H ATOM 539 1HG GLU A 32 4.439 15.843 7.363 1.00 0.00 H ATOM 540 2HG GLU A 32 5.712 15.302 8.455 1.00 0.00 H ATOM 541 N GLU A 33 8.882 17.522 5.601 1.00 0.00 N ATOM 542 CA GLU A 33 9.685 18.448 4.812 1.00 0.00 C ATOM 543 C GLU A 33 10.224 17.776 3.555 1.00 0.00 C ATOM 544 O GLU A 33 10.346 18.408 2.506 1.00 0.00 O ATOM 545 CB GLU A 33 10.845 18.994 5.648 1.00 0.00 C ATOM 546 CG GLU A 33 10.424 19.926 6.774 1.00 0.00 C ATOM 547 CD GLU A 33 9.687 21.141 6.284 1.00 0.00 C ATOM 548 OE1 GLU A 33 10.181 21.794 5.396 1.00 0.00 O ATOM 549 OE2 GLU A 33 8.629 21.417 6.798 1.00 0.00 O ATOM 550 H GLU A 33 9.240 17.190 6.486 1.00 0.00 H ATOM 551 HA GLU A 33 9.055 19.287 4.517 1.00 0.00 H ATOM 552 1HB GLU A 33 11.398 18.164 6.089 1.00 0.00 H ATOM 553 2HB GLU A 33 11.534 19.539 5.002 1.00 0.00 H ATOM 554 1HG GLU A 33 9.781 19.379 7.463 1.00 0.00 H ATOM 555 2HG GLU A 33 11.311 20.242 7.322 1.00 0.00 H ATOM 556 N GLU A 34 10.547 16.492 3.668 1.00 0.00 N ATOM 557 CA GLU A 34 10.973 15.705 2.518 1.00 0.00 C ATOM 558 C GLU A 34 9.808 15.433 1.575 1.00 0.00 C ATOM 559 O GLU A 34 9.985 15.361 0.358 1.00 0.00 O ATOM 560 CB GLU A 34 11.591 14.382 2.976 1.00 0.00 C ATOM 561 CG GLU A 34 12.908 14.529 3.724 1.00 0.00 C ATOM 562 CD GLU A 34 13.978 15.193 2.902 1.00 0.00 C ATOM 563 OE1 GLU A 34 14.182 14.782 1.785 1.00 0.00 O ATOM 564 OE2 GLU A 34 14.591 16.112 3.391 1.00 0.00 O ATOM 565 H GLU A 34 10.495 16.050 4.575 1.00 0.00 H ATOM 566 HA GLU A 34 11.736 16.267 1.978 1.00 0.00 H ATOM 567 1HB GLU A 34 10.892 13.861 3.629 1.00 0.00 H ATOM 568 2HB GLU A 34 11.768 13.744 2.110 1.00 0.00 H ATOM 569 1HG GLU A 34 12.739 15.121 4.624 1.00 0.00 H ATOM 570 2HG GLU A 34 13.252 13.543 4.031 1.00 0.00 H ATOM 571 N ALA A 35 8.617 15.281 2.142 1.00 0.00 N ATOM 572 CA ALA A 35 7.401 15.149 1.349 1.00 0.00 C ATOM 573 C ALA A 35 7.131 16.411 0.540 1.00 0.00 C ATOM 574 O ALA A 35 6.697 16.342 -0.610 1.00 0.00 O ATOM 575 CB ALA A 35 6.214 14.832 2.246 1.00 0.00 C ATOM 576 H ALA A 35 8.551 15.257 3.150 1.00 0.00 H ATOM 577 HA ALA A 35 7.527 14.313 0.660 1.00 0.00 H ATOM 578 1HB ALA A 35 5.314 14.736 1.639 1.00 0.00 H ATOM 579 2HB ALA A 35 6.397 13.896 2.775 1.00 0.00 H ATOM 580 3HB ALA A 35 6.080 15.636 2.969 1.00 0.00 H ATOM 581 N LYS A 36 7.390 17.564 1.148 1.00 0.00 N ATOM 582 CA LYS A 36 7.293 18.839 0.446 1.00 0.00 C ATOM 583 C LYS A 36 8.240 18.884 -0.747 1.00 0.00 C ATOM 584 O LYS A 36 7.873 19.353 -1.824 1.00 0.00 O ATOM 585 CB LYS A 36 7.591 19.998 1.399 1.00 0.00 C ATOM 586 CG LYS A 36 6.517 20.240 2.450 1.00 0.00 C ATOM 587 CD LYS A 36 6.932 21.333 3.423 1.00 0.00 C ATOM 588 CE LYS A 36 5.896 21.520 4.522 1.00 0.00 C ATOM 589 NZ LYS A 36 6.329 22.526 5.529 1.00 0.00 N ATOM 590 H LYS A 36 7.662 17.557 2.120 1.00 0.00 H ATOM 591 HA LYS A 36 6.271 18.959 0.086 1.00 0.00 H ATOM 592 1HB LYS A 36 8.531 19.810 1.918 1.00 0.00 H ATOM 593 2HB LYS A 36 7.711 20.918 0.826 1.00 0.00 H ATOM 594 1HG LYS A 36 5.588 20.534 1.961 1.00 0.00 H ATOM 595 2HG LYS A 36 6.338 19.320 3.006 1.00 0.00 H ATOM 596 1HD LYS A 36 7.889 21.073 3.877 1.00 0.00 H ATOM 597 2HD LYS A 36 7.049 22.274 2.885 1.00 0.00 H ATOM 598 1HE LYS A 36 4.954 21.846 4.082 1.00 0.00 H ATOM 599 2HE LYS A 36 5.726 20.569 5.027 1.00 0.00 H ATOM 600 1HZ LYS A 36 5.617 22.620 6.240 1.00 0.00 H ATOM 601 2HZ LYS A 36 7.193 22.224 5.958 1.00 0.00 H ATOM 602 3HZ LYS A 36 6.471 23.417 5.076 1.00 0.00 H ATOM 603 N LYS A 37 9.459 18.395 -0.547 1.00 0.00 N ATOM 604 CA LYS A 37 10.434 18.305 -1.627 1.00 0.00 C ATOM 605 C LYS A 37 9.926 17.417 -2.756 1.00 0.00 C ATOM 606 O LYS A 37 10.064 17.752 -3.932 1.00 0.00 O ATOM 607 CB LYS A 37 11.769 17.774 -1.101 1.00 0.00 C ATOM 608 CG LYS A 37 12.510 18.736 -0.181 1.00 0.00 C ATOM 609 CD LYS A 37 13.779 18.105 0.372 1.00 0.00 C ATOM 610 CE LYS A 37 14.462 19.022 1.376 1.00 0.00 C ATOM 611 NZ LYS A 37 15.649 18.377 2.000 1.00 0.00 N ATOM 612 H LYS A 37 9.717 18.078 0.376 1.00 0.00 H ATOM 613 HA LYS A 37 10.608 19.307 -2.021 1.00 0.00 H ATOM 614 1HB LYS A 37 11.601 16.848 -0.551 1.00 0.00 H ATOM 615 2HB LYS A 37 12.425 17.542 -1.940 1.00 0.00 H ATOM 616 1HG LYS A 37 12.774 19.638 -0.734 1.00 0.00 H ATOM 617 2HG LYS A 37 11.862 19.017 0.649 1.00 0.00 H ATOM 618 1HD LYS A 37 13.533 17.162 0.862 1.00 0.00 H ATOM 619 2HD LYS A 37 14.469 17.900 -0.446 1.00 0.00 H ATOM 620 1HE LYS A 37 14.780 19.935 0.876 1.00 0.00 H ATOM 621 2HE LYS A 37 13.756 19.291 2.161 1.00 0.00 H ATOM 622 1HZ LYS A 37 16.072 19.016 2.658 1.00 0.00 H ATOM 623 2HZ LYS A 37 15.362 17.538 2.483 1.00 0.00 H ATOM 624 3HZ LYS A 37 16.320 18.140 1.283 1.00 0.00 H ATOM 625 N ILE A 38 9.338 16.283 -2.390 1.00 0.00 N ATOM 626 CA ILE A 38 8.770 15.364 -3.370 1.00 0.00 C ATOM 627 C ILE A 38 7.648 16.026 -4.160 1.00 0.00 C ATOM 628 O ILE A 38 7.576 15.895 -5.382 1.00 0.00 O ATOM 629 CB ILE A 38 8.237 14.093 -2.686 1.00 0.00 C ATOM 630 CG1 ILE A 38 9.394 13.266 -2.118 1.00 0.00 C ATOM 631 CG2 ILE A 38 7.418 13.266 -3.664 1.00 0.00 C ATOM 632 CD1 ILE A 38 8.955 12.162 -1.184 1.00 0.00 C ATOM 633 H ILE A 38 9.282 16.052 -1.409 1.00 0.00 H ATOM 634 HA ILE A 38 9.558 15.068 -4.063 1.00 0.00 H ATOM 635 HB ILE A 38 7.606 14.371 -1.842 1.00 0.00 H ATOM 636 1HG1 ILE A 38 9.956 12.818 -2.937 1.00 0.00 H ATOM 637 2HG1 ILE A 38 10.076 13.920 -1.575 1.00 0.00 H ATOM 638 1HG2 ILE A 38 7.049 12.370 -3.164 1.00 0.00 H ATOM 639 2HG2 ILE A 38 6.574 13.855 -4.021 1.00 0.00 H ATOM 640 3HG2 ILE A 38 8.043 12.978 -4.510 1.00 0.00 H ATOM 641 1HD1 ILE A 38 9.831 11.621 -0.823 1.00 0.00 H ATOM 642 2HD1 ILE A 38 8.420 12.593 -0.337 1.00 0.00 H ATOM 643 3HD1 ILE A 38 8.300 11.475 -1.716 1.00 0.00 H ATOM 644 N ILE A 39 6.774 16.736 -3.455 1.00 0.00 N ATOM 645 CA ILE A 39 5.686 17.465 -4.095 1.00 0.00 C ATOM 646 C ILE A 39 6.214 18.438 -5.141 1.00 0.00 C ATOM 647 O ILE A 39 5.665 18.545 -6.237 1.00 0.00 O ATOM 648 CB ILE A 39 4.852 18.233 -3.053 1.00 0.00 C ATOM 649 CG1 ILE A 39 4.055 17.257 -2.183 1.00 0.00 C ATOM 650 CG2 ILE A 39 3.921 19.220 -3.740 1.00 0.00 C ATOM 651 CD1 ILE A 39 3.451 17.892 -0.951 1.00 0.00 C ATOM 652 H ILE A 39 6.866 16.772 -2.450 1.00 0.00 H ATOM 653 HA ILE A 39 5.030 16.745 -4.586 1.00 0.00 H ATOM 654 HB ILE A 39 5.517 18.779 -2.386 1.00 0.00 H ATOM 655 1HG1 ILE A 39 3.249 16.820 -2.771 1.00 0.00 H ATOM 656 2HG1 ILE A 39 4.704 16.442 -1.862 1.00 0.00 H ATOM 657 1HG2 ILE A 39 3.339 19.754 -2.989 1.00 0.00 H ATOM 658 2HG2 ILE A 39 4.509 19.933 -4.317 1.00 0.00 H ATOM 659 3HG2 ILE A 39 3.247 18.682 -4.407 1.00 0.00 H ATOM 660 1HD1 ILE A 39 2.903 17.138 -0.385 1.00 0.00 H ATOM 661 2HD1 ILE A 39 4.245 18.306 -0.328 1.00 0.00 H ATOM 662 3HD1 ILE A 39 2.770 18.688 -1.248 1.00 0.00 H ATOM 663 N LYS A 40 7.284 19.146 -4.795 1.00 0.00 N ATOM 664 CA LYS A 40 7.925 20.069 -5.725 1.00 0.00 C ATOM 665 C LYS A 40 8.458 19.336 -6.949 1.00 0.00 C ATOM 666 O LYS A 40 8.396 19.847 -8.067 1.00 0.00 O ATOM 667 CB LYS A 40 9.057 20.828 -5.031 1.00 0.00 C ATOM 668 CG LYS A 40 8.591 21.844 -3.997 1.00 0.00 C ATOM 669 CD LYS A 40 9.772 22.522 -3.318 1.00 0.00 C ATOM 670 CE LYS A 40 9.309 23.524 -2.270 1.00 0.00 C ATOM 671 NZ LYS A 40 10.454 24.179 -1.582 1.00 0.00 N ATOM 672 H LYS A 40 7.663 19.043 -3.865 1.00 0.00 H ATOM 673 HA LYS A 40 7.185 20.801 -6.051 1.00 0.00 H ATOM 674 1HB LYS A 40 9.717 20.119 -4.531 1.00 0.00 H ATOM 675 2HB LYS A 40 9.650 21.358 -5.777 1.00 0.00 H ATOM 676 1HG LYS A 40 7.977 22.603 -4.483 1.00 0.00 H ATOM 677 2HG LYS A 40 7.987 21.343 -3.241 1.00 0.00 H ATOM 678 1HD LYS A 40 10.398 21.769 -2.837 1.00 0.00 H ATOM 679 2HD LYS A 40 10.371 23.043 -4.065 1.00 0.00 H ATOM 680 1HE LYS A 40 8.699 24.291 -2.745 1.00 0.00 H ATOM 681 2HE LYS A 40 8.697 23.015 -1.526 1.00 0.00 H ATOM 682 1HZ LYS A 40 10.106 24.834 -0.896 1.00 0.00 H ATOM 683 2HZ LYS A 40 11.017 23.477 -1.121 1.00 0.00 H ATOM 684 3HZ LYS A 40 11.019 24.671 -2.260 1.00 0.00 H ATOM 685 N LYS A 41 8.984 18.135 -6.730 1.00 0.00 N ATOM 686 CA LYS A 41 9.485 17.308 -7.822 1.00 0.00 C ATOM 687 C LYS A 41 8.346 16.807 -8.700 1.00 0.00 C ATOM 688 O LYS A 41 8.495 16.682 -9.916 1.00 0.00 O ATOM 689 CB LYS A 41 10.285 16.125 -7.273 1.00 0.00 C ATOM 690 CG LYS A 41 11.621 16.506 -6.649 1.00 0.00 C ATOM 691 CD LYS A 41 12.338 15.285 -6.092 1.00 0.00 C ATOM 692 CE LYS A 41 13.670 15.664 -5.461 1.00 0.00 C ATOM 693 NZ LYS A 41 14.376 14.481 -4.899 1.00 0.00 N ATOM 694 H LYS A 41 9.038 17.786 -5.784 1.00 0.00 H ATOM 695 HA LYS A 41 10.158 17.911 -8.432 1.00 0.00 H ATOM 696 1HB LYS A 41 9.697 15.608 -6.515 1.00 0.00 H ATOM 697 2HB LYS A 41 10.481 15.415 -8.077 1.00 0.00 H ATOM 698 1HG LYS A 41 12.255 16.975 -7.403 1.00 0.00 H ATOM 699 2HG LYS A 41 11.456 17.219 -5.843 1.00 0.00 H ATOM 700 1HD LYS A 41 11.711 14.808 -5.337 1.00 0.00 H ATOM 701 2HD LYS A 41 12.518 14.570 -6.894 1.00 0.00 H ATOM 702 1HE LYS A 41 14.307 16.130 -6.211 1.00 0.00 H ATOM 703 2HE LYS A 41 13.502 16.385 -4.661 1.00 0.00 H ATOM 704 1HZ LYS A 41 15.253 14.774 -4.491 1.00 0.00 H ATOM 705 2HZ LYS A 41 13.801 14.051 -4.188 1.00 0.00 H ATOM 706 3HZ LYS A 41 14.555 13.814 -5.636 1.00 0.00 H ATOM 707 N ILE A 42 7.207 16.521 -8.078 1.00 0.00 N ATOM 708 CA ILE A 42 6.037 16.042 -8.804 1.00 0.00 C ATOM 709 C ILE A 42 5.484 17.119 -9.729 1.00 0.00 C ATOM 710 O ILE A 42 5.207 16.863 -10.901 1.00 0.00 O ATOM 711 CB ILE A 42 4.935 15.586 -7.831 1.00 0.00 C ATOM 712 CG1 ILE A 42 5.376 14.329 -7.076 1.00 0.00 C ATOM 713 CG2 ILE A 42 3.635 15.332 -8.579 1.00 0.00 C ATOM 714 CD1 ILE A 42 4.506 13.994 -5.886 1.00 0.00 C ATOM 715 H ILE A 42 7.151 16.637 -7.077 1.00 0.00 H ATOM 716 HA ILE A 42 6.331 15.182 -9.407 1.00 0.00 H ATOM 717 HB ILE A 42 4.767 16.360 -7.082 1.00 0.00 H ATOM 718 1HG1 ILE A 42 5.370 13.476 -7.755 1.00 0.00 H ATOM 719 2HG1 ILE A 42 6.400 14.457 -6.723 1.00 0.00 H ATOM 720 1HG2 ILE A 42 2.868 15.010 -7.876 1.00 0.00 H ATOM 721 2HG2 ILE A 42 3.314 16.249 -9.071 1.00 0.00 H ATOM 722 3HG2 ILE A 42 3.792 14.555 -9.327 1.00 0.00 H ATOM 723 1HD1 ILE A 42 4.882 13.092 -5.403 1.00 0.00 H ATOM 724 2HD1 ILE A 42 4.526 14.821 -5.176 1.00 0.00 H ATOM 725 3HD1 ILE A 42 3.483 13.826 -6.220 1.00 0.00 H ATOM 726 N GLU A 43 5.325 18.326 -9.195 1.00 0.00 N ATOM 727 CA GLU A 43 4.794 19.442 -9.969 1.00 0.00 C ATOM 728 C GLU A 43 5.770 19.871 -11.057 1.00 0.00 C ATOM 729 O GLU A 43 6.984 19.737 -10.905 1.00 0.00 O ATOM 730 OXT GLU A 43 5.357 20.346 -12.079 1.00 0.00 O ATOM 731 CB GLU A 43 4.485 20.627 -9.052 1.00 0.00 C ATOM 732 CG GLU A 43 3.824 21.807 -9.750 1.00 0.00 C ATOM 733 CD GLU A 43 3.488 22.930 -8.810 1.00 0.00 C ATOM 734 OE1 GLU A 43 3.861 22.852 -7.664 1.00 0.00 O ATOM 735 OE2 GLU A 43 2.857 23.868 -9.238 1.00 0.00 O ATOM 736 H GLU A 43 5.579 18.473 -8.229 1.00 0.00 H ATOM 737 HA GLU A 43 3.867 19.123 -10.444 1.00 0.00 H ATOM 738 1HB GLU A 43 3.825 20.302 -8.247 1.00 0.00 H ATOM 739 2HB GLU A 43 5.408 20.983 -8.594 1.00 0.00 H ATOM 740 1HG GLU A 43 4.497 22.183 -10.521 1.00 0.00 H ATOM 741 2HG GLU A 43 2.913 21.463 -10.238 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE nods_bigger.blueprint.34_try129_pass_20150323070836_0001_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 rama omega fa_dun p_aa_pp ref total weights 0.8 0.44 0.75 0.004 0.7 1 1.17 1.17 1.17 1.1 1 0.2 0.5 0.56 0.32 1 NA pose -168.75 17.0124 92.0409 0.26268 -23.1337 0 -24.2884 -1.02059 -0.23222 -6.56936 0 -7.00577 2.62096 42.0498 -5.29779 -11.985 -94.2962 GLN:NtermProteinFull_1 -2.55247 0.20496 2.17153 0.00581 -0.79904 0 0 0 -0.11611 0 0 0 0.00196 1.4994 0 -1.17797 -0.76194 LYS_2 -3.12226 0.23836 1.5869 0.00312 -0.10502 0 0 0 0 0 0 -0.23555 0.00249 0.75816 -0.03809 -0.28737 -1.19927 GLU_3 -3.17935 0.26436 2.33365 0.00514 -0.91088 0 0 0 0 -0.32943 0 -0.26824 0.15207 2.36517 -0.15536 -1.55374 -1.27662 GLU_4 -3.99426 0.41549 2.91035 0.0044 -0.96223 0 0 0 -0.11611 0 0 -0.22855 0.07652 2.25438 -0.1224 -1.55374 -1.31616 LEU_5 -5.37199 0.3244 2.20628 0.00661 -0.10977 0 0 0 0 0 0 -0.11453 0.05241 0.19685 -0.12133 0.60233 -2.32874 LYS_6 -4.88659 0.42435 2.99171 0.00312 -1.1239 0 0 0 0 -0.32943 0 -0.17112 2e-05 0.87897 -0.04415 -0.28737 -2.5444 GLU_7 -3.90426 0.25504 2.74542 0.00514 -1.09567 0 0 0 0 -0.39318 0 -0.24214 0.16872 2.35402 -0.16276 -1.55374 -1.82342 LYS_8 -3.94645 0.36751 1.99813 0.00309 -0.26123 0 0 0 0 0 0 -0.2376 0.07297 0.77045 -0.0398 -0.28737 -1.56031 ALA_9 -4.60445 0.48989 1.93427 0.00074 -0.24887 0 0 0 0 0 0 -0.17378 0.06173 0 -0.18142 0.59294 -2.12894 LYS_10 -4.91701 0.5085 2.82613 0.0031 -1.12021 0 0 0 0 -0.39318 0 -0.11849 0.10222 0.95711 -0.03781 -0.28737 -2.47701 GLU_11 -4.07196 0.3563 2.77048 0.00709 -0.982 0 0 0 0 -0.43423 0 -0.1601 0.00836 2.24565 -0.10368 -1.55374 -1.91782 ALA_12 -4.8959 0.37401 2.2548 0.00073 -0.3061 0 0 0 0 0 0 -0.12224 0.0518 0 -0.16701 0.59294 -2.21697 VAL_13 -4.72848 0.74907 1.51355 0.01634 -0.15429 0 0 0 0 0 0 0.00151 0.01189 0.00281 0.00069 0.74484 -1.84206 LYS_14 -2.41545 0.31699 1.2972 0.00314 -0.06524 0 0 0 0 0 0 -0.24602 0.00177 0.72415 -0.04232 -0.28737 -0.71317 ARG_15 -3.39385 0.42041 2.34032 0.00981 -0.76882 0 0 0 0 -0.43423 0 -0.20306 2e-05 1.33904 0.02715 -0.14916 -0.81237 GLY_16 -1.75697 0.44447 1.1459 0 -0.27824 0 0 0 0 0 0 -0.36742 0.10715 0 -0.79997 0.14053 -1.36456 ASN_17 -3.80175 0.40853 2.28764 0.00467 -0.2087 0 0 0 0 0 0 -0.03962 0.01456 1.79492 -0.30803 -0.94198 -0.78976 LYS_18 -3.80357 0.37449 2.37084 0.00312 -1.1777 0 0 0 0 -0.23726 0 -0.2734 0.11384 0.76927 -0.03338 -0.28737 -2.18114 ASP_19 -3.07046 0.27477 2.45283 0.0033 -0.77921 0 0 0 0 -0.45687 0 -0.09409 0.08876 1.42383 0.05703 -1.28682 -1.38692 LYS_20 -3.72432 0.34638 1.73413 0.0053 0.00122 0 0 0 0 0 0 -0.17465 0.01327 0.94593 -0.04375 -0.28737 -1.18385 ALA_21 -4.73879 0.40314 1.86283 0.00073 -0.19486 0 0 0 0 0 0 -0.11511 0.00973 0 -0.16108 0.59294 -2.34047 ARG_22 -5.55122 0.35037 3.46737 0.01734 -1.11638 0 0 0 0 -0.45687 0 -0.16585 0.06686 2.13857 -0.08418 -0.14916 -1.48315 GLU_23 -4.22716 0.3738 2.87381 0.00769 -1.04736 0 0 0 0 -0.54462 0 -0.12339 0.03206 2.37462 -0.1057 -1.55374 -1.93998 LEU_24 -5.80725 0.42747 2.10152 0.00612 -0.24606 0 0 0 0 0 0 -0.0987 0.03457 0.33918 -0.12242 0.60233 -2.76325 LEU_25 -6.18732 0.6313 1.85419 0.00635 -0.19745 0 0 0 0 0 0 -0.13069 0.23772 0.19611 -0.12731 0.60233 -3.11477 LYS_26 -3.93745 0.54405 2.688 0.00507 -1.11168 0 0 0 0 -0.24208 0 -0.2012 0.05728 0.98003 -0.0491 -0.28737 -1.55444 ARG_27 -3.64711 0.54726 2.12368 0.00961 -0.89183 0 0 0 0 -0.54462 0 -0.24346 0.0844 1.50009 -0.08034 -0.14916 -1.29147 ALA_28 -3.46687 0.39217 1.30149 0.00115 -0.10728 0 0 0 0 0 0 -0.17084 0.07815 0 -0.06416 0.59294 -1.44324 GLY_29 -1.40832 0.45356 0.92252 2e-05 -0.00143 0 0 0 0 0 0 -0.16401 0.00034 0 -0.77496 0.14053 -0.83175 ILE_30 -4.00434 0.6185 1.40335 0.01628 0.05048 0 0 0 0 0 0 -0.20749 0.00443 0.28149 -0.34396 0.8318 -1.34946 SER_31 -2.42207 0.42054 1.60949 0.00168 -0.48806 0 0 0 0 0 0 -0.1828 0.23382 0.40741 -0.0378 0.17658 -0.28119 GLU_32 -3.25731 0.25839 2.22741 0.0045 -1.21994 0 0 0 0 -0.24208 0 -0.19612 0.01022 2.161 -0.09339 -1.55374 -1.90105 GLU_33 -3.36737 0.26546 2.54241 0.00511 -1.00794 0 0 0 0 -0.30147 0 -0.24469 0.12196 2.3365 -0.16775 -1.55374 -1.37153 GLU_34 -4.31765 0.30331 2.79406 0.00508 -1.03741 0 0 0 0 -0.34554 0 -0.24332 0.19219 2.30856 -0.16912 -1.55374 -2.06358 ALA_35 -4.71293 0.4735 1.96433 0.00074 -0.27036 0 0 0 0 0 0 -0.19634 0.16433 0 -0.18344 0.59294 -2.16722 LYS_36 -4.80606 0.3878 3.11758 0.00315 -1.06493 0 0 0 0 -0.30147 0 -0.17794 0.07018 0.91343 -0.04776 -0.28737 -2.19339 LYS_37 -4.34219 0.34992 2.90892 0.00318 -1.07391 0 0 0 0 -0.34554 0 -0.17411 0.01963 0.94069 -0.04623 -0.28737 -2.04701 ILE_38 -4.8837 0.64586 1.8232 0.02051 -0.21388 0 0 0 0 0 0 -0.027 0.03334 0.07563 -0.07599 0.8318 -1.77022 ILE_39 -5.76634 0.51777 2.05212 0.02144 -0.25485 0 0 0 0 0 0 0.02427 0.03866 0.14489 -0.02218 0.8318 -2.41242 LYS_40 -2.95032 0.24588 1.70587 0.00312 0.07157 0 0 0 0 0 0 -0.22734 0.02617 0.77021 -0.04664 -0.28737 -0.68885 LYS_41 -2.59968 0.24582 1.55668 0.00311 0.13805 0 0 0 0 0 0 -0.25239 0.00103 0.72883 -0.02758 -0.28737 -0.4935 ILE_42 -3.98343 0.48974 1.14344 0.01983 0.2206 0 0 0 0 0 0 -0.01816 0.00135 0.10521 -0.15031 0.8318 -1.33992 GLU:CtermProteinFull_43 -2.22342 0.10856 2.12449 0.0071 -0.61288 0 0 0 0 -0.23726 0 0 0 2.06725 0 -1.55374 -0.3199 #END_POSE_ENERGIES_TABLE nods_bigger.blueprint.34_try129_pass_20150323070836_0001_0001.pdb AlaCount 5 bb -0.0237291 buried_minus_exposed 3758.55 buried_np 5355.28 buried_over_exposed 3.3539 cavity_volume 20.5586 contact_all 216 contact_core_SASA 216 contact_core_SCN 216 degree 10.5349 degree_core_SASA 10.5349 degree_core_SCN 10.5349 exposed_hydrophobics 1596.72 holes 1.43794 mismatch_probability 0.0915579 one_core_each 1 pack 0.701412 percent_core_SASA 0.116252 percent_core_SCN 0.162753 res_count_core_SASA 5 res_count_core_SCN 7 ss_sc 0.803782 two_core_each 1 unsat_hbond 5
HHH_rd1_0493.pdb
ATOM 1 N ARG A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA ARG A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C ARG A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O ARG A 1 2.867 1.763 -0.813 1.00 0.00 O ATOM 5 CB ARG A 1 1.993 -0.748 -1.212 1.00 0.00 C ATOM 6 CG ARG A 1 1.656 -2.231 -1.248 1.00 0.00 C ATOM 7 CD ARG A 1 2.180 -2.883 -2.476 1.00 0.00 C ATOM 8 NE ARG A 1 3.634 -2.895 -2.505 1.00 0.00 N ATOM 9 CZ ARG A 1 4.375 -3.308 -3.552 1.00 0.00 C ATOM 10 NH1 ARG A 1 3.785 -3.737 -4.646 1.00 0.00 N ATOM 11 NH2 ARG A 1 5.694 -3.280 -3.480 1.00 0.00 N ATOM 12 1H ARG A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 13 2H ARG A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 14 3H ARG A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 15 HA ARG A 1 1.820 -0.555 0.878 1.00 0.00 H ATOM 16 1HB ARG A 1 1.598 -0.298 -2.121 1.00 0.00 H ATOM 17 2HB ARG A 1 3.079 -0.656 -1.246 1.00 0.00 H ATOM 18 1HG ARG A 1 2.097 -2.725 -0.382 1.00 0.00 H ATOM 19 2HG ARG A 1 0.573 -2.358 -1.228 1.00 0.00 H ATOM 20 1HD ARG A 1 1.830 -3.914 -2.518 1.00 0.00 H ATOM 21 2HD ARG A 1 1.827 -2.343 -3.353 1.00 0.00 H ATOM 22 HE ARG A 1 4.124 -2.572 -1.681 1.00 0.00 H ATOM 23 1HH1 ARG A 1 2.777 -3.758 -4.701 1.00 0.00 H ATOM 24 2HH1 ARG A 1 4.340 -4.046 -5.430 1.00 0.00 H ATOM 25 1HH2 ARG A 1 6.148 -2.950 -2.639 1.00 0.00 H ATOM 26 2HH2 ARG A 1 6.249 -3.589 -4.264 1.00 0.00 H ATOM 27 N ASP A 2 1.510 2.243 0.917 1.00 0.00 N ATOM 28 CA ASP A 2 1.873 3.654 0.958 1.00 0.00 C ATOM 29 C ASP A 2 3.344 3.835 1.310 1.00 0.00 C ATOM 30 O ASP A 2 4.011 4.731 0.792 1.00 0.00 O ATOM 31 CB ASP A 2 1.005 4.402 1.972 1.00 0.00 C ATOM 32 CG ASP A 2 -0.450 4.517 1.536 1.00 0.00 C ATOM 33 OD1 ASP A 2 -0.730 4.245 0.393 1.00 0.00 O ATOM 34 OD2 ASP A 2 -1.267 4.875 2.351 1.00 0.00 O ATOM 35 H ASP A 2 0.863 1.881 1.603 1.00 0.00 H ATOM 36 HA ASP A 2 1.694 4.087 -0.027 1.00 0.00 H ATOM 37 1HB ASP A 2 1.042 3.887 2.933 1.00 0.00 H ATOM 38 2HB ASP A 2 1.404 5.406 2.123 1.00 0.00 H ATOM 39 N GLU A 3 3.846 2.977 2.192 1.00 0.00 N ATOM 40 CA GLU A 3 5.230 3.063 2.642 1.00 0.00 C ATOM 41 C GLU A 3 6.197 2.699 1.522 1.00 0.00 C ATOM 42 O GLU A 3 7.300 3.240 1.440 1.00 0.00 O ATOM 43 CB GLU A 3 5.459 2.143 3.844 1.00 0.00 C ATOM 44 CG GLU A 3 4.711 2.558 5.103 1.00 0.00 C ATOM 45 CD GLU A 3 5.088 3.933 5.581 1.00 0.00 C ATOM 46 OE1 GLU A 3 6.260 4.208 5.673 1.00 0.00 O ATOM 47 OE2 GLU A 3 4.203 4.708 5.854 1.00 0.00 O ATOM 48 H GLU A 3 3.253 2.248 2.561 1.00 0.00 H ATOM 49 HA GLU A 3 5.430 4.088 2.956 1.00 0.00 H ATOM 50 1HB GLU A 3 5.149 1.129 3.590 1.00 0.00 H ATOM 51 2HB GLU A 3 6.522 2.111 4.081 1.00 0.00 H ATOM 52 1HG GLU A 3 3.641 2.537 4.902 1.00 0.00 H ATOM 53 2HG GLU A 3 4.919 1.835 5.891 1.00 0.00 H ATOM 54 N ASP A 4 5.776 1.780 0.659 1.00 0.00 N ATOM 55 CA ASP A 4 6.558 1.418 -0.517 1.00 0.00 C ATOM 56 C ASP A 4 6.627 2.571 -1.509 1.00 0.00 C ATOM 57 O ASP A 4 7.649 2.779 -2.164 1.00 0.00 O ATOM 58 CB ASP A 4 5.961 0.184 -1.199 1.00 0.00 C ATOM 59 CG ASP A 4 6.173 -1.095 -0.401 1.00 0.00 C ATOM 60 OD1 ASP A 4 6.954 -1.075 0.520 1.00 0.00 O ATOM 61 OD2 ASP A 4 5.552 -2.080 -0.720 1.00 0.00 O ATOM 62 H ASP A 4 4.891 1.320 0.823 1.00 0.00 H ATOM 63 HA ASP A 4 7.571 1.171 -0.196 1.00 0.00 H ATOM 64 1HB ASP A 4 4.891 0.331 -1.345 1.00 0.00 H ATOM 65 2HB ASP A 4 6.411 0.060 -2.184 1.00 0.00 H ATOM 66 N GLU A 5 5.534 3.318 -1.617 1.00 0.00 N ATOM 67 CA GLU A 5 5.504 4.518 -2.446 1.00 0.00 C ATOM 68 C GLU A 5 6.407 5.604 -1.875 1.00 0.00 C ATOM 69 O GLU A 5 7.018 6.371 -2.620 1.00 0.00 O ATOM 70 CB GLU A 5 4.073 5.044 -2.571 1.00 0.00 C ATOM 71 CG GLU A 5 3.126 4.119 -3.323 1.00 0.00 C ATOM 72 CD GLU A 5 3.555 3.871 -4.742 1.00 0.00 C ATOM 73 OE1 GLU A 5 3.855 4.820 -5.426 1.00 0.00 O ATOM 74 OE2 GLU A 5 3.582 2.731 -5.143 1.00 0.00 O ATOM 75 H GLU A 5 4.702 3.049 -1.111 1.00 0.00 H ATOM 76 HA GLU A 5 5.858 4.257 -3.444 1.00 0.00 H ATOM 77 1HB GLU A 5 3.658 5.211 -1.577 1.00 0.00 H ATOM 78 2HB GLU A 5 4.082 6.004 -3.087 1.00 0.00 H ATOM 79 1HG GLU A 5 3.075 3.165 -2.799 1.00 0.00 H ATOM 80 2HG GLU A 5 2.129 4.557 -3.321 1.00 0.00 H ATOM 81 N LYS A 6 6.487 5.664 -0.551 1.00 0.00 N ATOM 82 CA LYS A 6 7.407 6.575 0.121 1.00 0.00 C ATOM 83 C LYS A 6 8.855 6.227 -0.197 1.00 0.00 C ATOM 84 O LYS A 6 9.699 7.112 -0.340 1.00 0.00 O ATOM 85 CB LYS A 6 7.179 6.548 1.633 1.00 0.00 C ATOM 86 CG LYS A 6 5.880 7.201 2.085 1.00 0.00 C ATOM 87 CD LYS A 6 5.718 7.122 3.596 1.00 0.00 C ATOM 88 CE LYS A 6 4.402 7.739 4.046 1.00 0.00 C ATOM 89 NZ LYS A 6 4.189 7.588 5.511 1.00 0.00 N ATOM 90 H LYS A 6 5.895 5.064 0.006 1.00 0.00 H ATOM 91 HA LYS A 6 7.206 7.589 -0.228 1.00 0.00 H ATOM 92 1HB LYS A 6 7.173 5.515 1.982 1.00 0.00 H ATOM 93 2HB LYS A 6 8.002 7.058 2.134 1.00 0.00 H ATOM 94 1HG LYS A 6 5.875 8.249 1.782 1.00 0.00 H ATOM 95 2HG LYS A 6 5.037 6.700 1.611 1.00 0.00 H ATOM 96 1HD LYS A 6 5.748 6.078 3.911 1.00 0.00 H ATOM 97 2HD LYS A 6 6.540 7.652 4.078 1.00 0.00 H ATOM 98 1HE LYS A 6 4.393 8.799 3.797 1.00 0.00 H ATOM 99 2HE LYS A 6 3.577 7.258 3.520 1.00 0.00 H ATOM 100 1HZ LYS A 6 3.307 8.009 5.768 1.00 0.00 H ATOM 101 2HZ LYS A 6 4.176 6.607 5.750 1.00 0.00 H ATOM 102 3HZ LYS A 6 4.938 8.047 6.009 1.00 0.00 H ATOM 103 N GLU A 7 9.138 4.933 -0.307 1.00 0.00 N ATOM 104 CA GLU A 7 10.457 4.469 -0.719 1.00 0.00 C ATOM 105 C GLU A 7 10.757 4.868 -2.158 1.00 0.00 C ATOM 106 O GLU A 7 11.894 5.195 -2.498 1.00 0.00 O ATOM 107 CB GLU A 7 10.559 2.950 -0.568 1.00 0.00 C ATOM 108 CG GLU A 7 10.563 2.460 0.873 1.00 0.00 C ATOM 109 CD GLU A 7 11.765 2.927 1.646 1.00 0.00 C ATOM 110 OE1 GLU A 7 12.848 2.872 1.114 1.00 0.00 O ATOM 111 OE2 GLU A 7 11.601 3.338 2.770 1.00 0.00 O ATOM 112 H GLU A 7 8.420 4.254 -0.100 1.00 0.00 H ATOM 113 HA GLU A 7 11.203 4.926 -0.067 1.00 0.00 H ATOM 114 1HB GLU A 7 9.721 2.476 -1.080 1.00 0.00 H ATOM 115 2HB GLU A 7 11.475 2.598 -1.044 1.00 0.00 H ATOM 116 1HG GLU A 7 9.664 2.820 1.371 1.00 0.00 H ATOM 117 2HG GLU A 7 10.536 1.371 0.876 1.00 0.00 H ATOM 118 N LYS A 8 9.730 4.838 -3.001 1.00 0.00 N ATOM 119 CA LYS A 8 9.863 5.274 -4.386 1.00 0.00 C ATOM 120 C LYS A 8 10.212 6.754 -4.467 1.00 0.00 C ATOM 121 O LYS A 8 10.999 7.171 -5.317 1.00 0.00 O ATOM 122 CB LYS A 8 8.575 4.994 -5.162 1.00 0.00 C ATOM 123 CG LYS A 8 8.307 3.518 -5.425 1.00 0.00 C ATOM 124 CD LYS A 8 6.998 3.319 -6.174 1.00 0.00 C ATOM 125 CE LYS A 8 6.699 1.842 -6.387 1.00 0.00 C ATOM 126 NZ LYS A 8 5.382 1.630 -7.044 1.00 0.00 N ATOM 127 H LYS A 8 8.835 4.505 -2.674 1.00 0.00 H ATOM 128 HA LYS A 8 10.664 4.700 -4.854 1.00 0.00 H ATOM 129 1HB LYS A 8 7.724 5.396 -4.611 1.00 0.00 H ATOM 130 2HB LYS A 8 8.611 5.504 -6.124 1.00 0.00 H ATOM 131 1HG LYS A 8 9.122 3.100 -6.017 1.00 0.00 H ATOM 132 2HG LYS A 8 8.258 2.983 -4.477 1.00 0.00 H ATOM 133 1HD LYS A 8 6.181 3.768 -5.606 1.00 0.00 H ATOM 134 2HD LYS A 8 7.056 3.812 -7.145 1.00 0.00 H ATOM 135 1HE LYS A 8 7.477 1.400 -7.007 1.00 0.00 H ATOM 136 2HE LYS A 8 6.698 1.330 -5.425 1.00 0.00 H ATOM 137 1HZ LYS A 8 5.222 0.640 -7.167 1.00 0.00 H ATOM 138 2HZ LYS A 8 4.650 2.020 -6.467 1.00 0.00 H ATOM 139 3HZ LYS A 8 5.378 2.085 -7.946 1.00 0.00 H ATOM 140 N ILE A 9 9.622 7.545 -3.577 1.00 0.00 N ATOM 141 CA ILE A 9 9.942 8.965 -3.483 1.00 0.00 C ATOM 142 C ILE A 9 11.421 9.178 -3.190 1.00 0.00 C ATOM 143 O ILE A 9 12.090 9.963 -3.863 1.00 0.00 O ATOM 144 CB ILE A 9 9.098 9.646 -2.390 1.00 0.00 C ATOM 145 CG1 ILE A 9 7.626 9.698 -2.806 1.00 0.00 C ATOM 146 CG2 ILE A 9 9.624 11.045 -2.107 1.00 0.00 C ATOM 147 CD1 ILE A 9 6.691 10.116 -1.694 1.00 0.00 C ATOM 148 H ILE A 9 8.935 7.153 -2.949 1.00 0.00 H ATOM 149 HA ILE A 9 9.702 9.437 -4.436 1.00 0.00 H ATOM 150 HB ILE A 9 9.146 9.058 -1.474 1.00 0.00 H ATOM 151 1HG1 ILE A 9 7.506 10.397 -3.633 1.00 0.00 H ATOM 152 2HG1 ILE A 9 7.314 8.716 -3.161 1.00 0.00 H ATOM 153 1HG2 ILE A 9 9.017 11.513 -1.333 1.00 0.00 H ATOM 154 2HG2 ILE A 9 10.658 10.984 -1.769 1.00 0.00 H ATOM 155 3HG2 ILE A 9 9.575 11.643 -3.017 1.00 0.00 H ATOM 156 1HD1 ILE A 9 5.666 10.128 -2.065 1.00 0.00 H ATOM 157 2HD1 ILE A 9 6.769 9.408 -0.868 1.00 0.00 H ATOM 158 3HD1 ILE A 9 6.963 11.112 -1.346 1.00 0.00 H ATOM 159 N LYS A 10 11.928 8.475 -2.183 1.00 0.00 N ATOM 160 CA LYS A 10 13.333 8.577 -1.807 1.00 0.00 C ATOM 161 C LYS A 10 14.241 8.133 -2.946 1.00 0.00 C ATOM 162 O LYS A 10 15.267 8.758 -3.215 1.00 0.00 O ATOM 163 CB LYS A 10 13.614 7.746 -0.555 1.00 0.00 C ATOM 164 CG LYS A 10 13.040 8.329 0.730 1.00 0.00 C ATOM 165 CD LYS A 10 13.557 7.587 1.953 1.00 0.00 C ATOM 166 CE LYS A 10 12.856 6.248 2.127 1.00 0.00 C ATOM 167 NZ LYS A 10 13.280 5.556 3.374 1.00 0.00 N ATOM 168 H LYS A 10 11.324 7.854 -1.664 1.00 0.00 H ATOM 169 HA LYS A 10 13.553 9.619 -1.571 1.00 0.00 H ATOM 170 1HB LYS A 10 13.200 6.745 -0.682 1.00 0.00 H ATOM 171 2HB LYS A 10 14.691 7.641 -0.422 1.00 0.00 H ATOM 172 1HG LYS A 10 13.319 9.381 0.808 1.00 0.00 H ATOM 173 2HG LYS A 10 11.953 8.261 0.706 1.00 0.00 H ATOM 174 1HD LYS A 10 14.630 7.416 1.849 1.00 0.00 H ATOM 175 2HD LYS A 10 13.389 8.193 2.844 1.00 0.00 H ATOM 176 1HE LYS A 10 11.779 6.403 2.160 1.00 0.00 H ATOM 177 2HE LYS A 10 13.083 5.606 1.275 1.00 0.00 H ATOM 178 1HZ LYS A 10 12.794 4.673 3.451 1.00 0.00 H ATOM 179 2HZ LYS A 10 14.276 5.390 3.346 1.00 0.00 H ATOM 180 3HZ LYS A 10 13.058 6.133 4.172 1.00 0.00 H ATOM 181 N GLU A 11 13.859 7.049 -3.613 1.00 0.00 N ATOM 182 CA GLU A 11 14.618 6.541 -4.749 1.00 0.00 C ATOM 183 C GLU A 11 14.729 7.587 -5.850 1.00 0.00 C ATOM 184 O GLU A 11 15.819 7.861 -6.352 1.00 0.00 O ATOM 185 CB GLU A 11 13.966 5.272 -5.302 1.00 0.00 C ATOM 186 CG GLU A 11 14.692 4.658 -6.490 1.00 0.00 C ATOM 187 CD GLU A 11 14.028 3.409 -7.000 1.00 0.00 C ATOM 188 OE1 GLU A 11 13.119 2.938 -6.359 1.00 0.00 O ATOM 189 OE2 GLU A 11 14.431 2.925 -8.031 1.00 0.00 O ATOM 190 H GLU A 11 13.020 6.565 -3.326 1.00 0.00 H ATOM 191 HA GLU A 11 15.622 6.284 -4.407 1.00 0.00 H ATOM 192 1HB GLU A 11 13.913 4.518 -4.516 1.00 0.00 H ATOM 193 2HB GLU A 11 12.944 5.493 -5.612 1.00 0.00 H ATOM 194 1HG GLU A 11 14.731 5.390 -7.296 1.00 0.00 H ATOM 195 2HG GLU A 11 15.715 4.426 -6.197 1.00 0.00 H ATOM 196 N ALA A 12 13.595 8.170 -6.222 1.00 0.00 N ATOM 197 CA ALA A 12 13.564 9.195 -7.258 1.00 0.00 C ATOM 198 C ALA A 12 14.463 10.370 -6.897 1.00 0.00 C ATOM 199 O ALA A 12 15.159 10.918 -7.753 1.00 0.00 O ATOM 200 CB ALA A 12 12.137 9.672 -7.489 1.00 0.00 C ATOM 201 H ALA A 12 12.731 7.895 -5.776 1.00 0.00 H ATOM 202 HA ALA A 12 13.920 8.756 -8.191 1.00 0.00 H ATOM 203 1HB ALA A 12 12.131 10.438 -8.265 1.00 0.00 H ATOM 204 2HB ALA A 12 11.519 8.832 -7.803 1.00 0.00 H ATOM 205 3HB ALA A 12 11.740 10.090 -6.565 1.00 0.00 H ATOM 206 N LEU A 13 14.445 10.753 -5.625 1.00 0.00 N ATOM 207 CA LEU A 13 15.319 11.811 -5.132 1.00 0.00 C ATOM 208 C LEU A 13 16.785 11.423 -5.266 1.00 0.00 C ATOM 209 O LEU A 13 17.621 12.240 -5.653 1.00 0.00 O ATOM 210 CB LEU A 13 14.998 12.121 -3.664 1.00 0.00 C ATOM 211 CG LEU A 13 13.648 12.803 -3.407 1.00 0.00 C ATOM 212 CD1 LEU A 13 13.368 12.829 -1.911 1.00 0.00 C ATOM 213 CD2 LEU A 13 13.672 14.211 -3.984 1.00 0.00 C ATOM 214 H LEU A 13 13.810 10.300 -4.984 1.00 0.00 H ATOM 215 HA LEU A 13 15.140 12.711 -5.721 1.00 0.00 H ATOM 216 1HB LEU A 13 15.011 11.189 -3.101 1.00 0.00 H ATOM 217 2HB LEU A 13 15.778 12.771 -3.268 1.00 0.00 H ATOM 218 HG LEU A 13 12.854 12.229 -3.885 1.00 0.00 H ATOM 219 1HD1 LEU A 13 12.409 13.314 -1.729 1.00 0.00 H ATOM 220 2HD1 LEU A 13 13.337 11.809 -1.529 1.00 0.00 H ATOM 221 3HD1 LEU A 13 14.156 13.384 -1.403 1.00 0.00 H ATOM 222 1HD2 LEU A 13 12.712 14.695 -3.802 1.00 0.00 H ATOM 223 2HD2 LEU A 13 14.465 14.786 -3.506 1.00 0.00 H ATOM 224 3HD2 LEU A 13 13.857 14.161 -5.057 1.00 0.00 H ATOM 225 N LYS A 14 17.092 10.170 -4.945 1.00 0.00 N ATOM 226 CA LYS A 14 18.456 9.665 -5.048 1.00 0.00 C ATOM 227 C LYS A 14 18.912 9.602 -6.501 1.00 0.00 C ATOM 228 O LYS A 14 20.104 9.693 -6.792 1.00 0.00 O ATOM 229 CB LYS A 14 18.566 8.283 -4.402 1.00 0.00 C ATOM 230 CG LYS A 14 18.470 8.290 -2.883 1.00 0.00 C ATOM 231 CD LYS A 14 18.567 6.881 -2.316 1.00 0.00 C ATOM 232 CE LYS A 14 18.477 6.887 -0.798 1.00 0.00 C ATOM 233 NZ LYS A 14 18.591 5.516 -0.228 1.00 0.00 N ATOM 234 H LYS A 14 16.362 9.553 -4.621 1.00 0.00 H ATOM 235 HA LYS A 14 19.117 10.340 -4.503 1.00 0.00 H ATOM 236 1HB LYS A 14 17.773 7.639 -4.784 1.00 0.00 H ATOM 237 2HB LYS A 14 19.518 7.828 -4.676 1.00 0.00 H ATOM 238 1HG LYS A 14 19.279 8.895 -2.470 1.00 0.00 H ATOM 239 2HG LYS A 14 17.521 8.730 -2.580 1.00 0.00 H ATOM 240 1HD LYS A 14 17.757 6.271 -2.718 1.00 0.00 H ATOM 241 2HD LYS A 14 19.516 6.434 -2.613 1.00 0.00 H ATOM 242 1HE LYS A 14 19.276 7.504 -0.389 1.00 0.00 H ATOM 243 2HE LYS A 14 17.523 7.316 -0.491 1.00 0.00 H ATOM 244 1HZ LYS A 14 18.526 5.563 0.779 1.00 0.00 H ATOM 245 2HZ LYS A 14 17.843 4.939 -0.587 1.00 0.00 H ATOM 246 3HZ LYS A 14 19.480 5.115 -0.490 1.00 0.00 H ATOM 247 N ARG A 15 17.955 9.446 -7.409 1.00 0.00 N ATOM 248 CA ARG A 15 18.256 9.377 -8.834 1.00 0.00 C ATOM 249 C ARG A 15 18.331 10.769 -9.449 1.00 0.00 C ATOM 250 O ARG A 15 18.564 10.916 -10.649 1.00 0.00 O ATOM 251 CB ARG A 15 17.201 8.559 -9.565 1.00 0.00 C ATOM 252 CG ARG A 15 17.214 7.072 -9.252 1.00 0.00 C ATOM 253 CD ARG A 15 16.206 6.332 -10.054 1.00 0.00 C ATOM 254 NE ARG A 15 16.164 4.921 -9.704 1.00 0.00 N ATOM 255 CZ ARG A 15 17.005 3.988 -10.190 1.00 0.00 C ATOM 256 NH1 ARG A 15 17.946 4.330 -11.042 1.00 0.00 N ATOM 257 NH2 ARG A 15 16.884 2.728 -9.809 1.00 0.00 N ATOM 258 H ARG A 15 16.995 9.373 -7.105 1.00 0.00 H ATOM 259 HA ARG A 15 19.236 8.915 -8.959 1.00 0.00 H ATOM 260 1HB ARG A 15 16.211 8.939 -9.318 1.00 0.00 H ATOM 261 2HB ARG A 15 17.335 8.671 -10.641 1.00 0.00 H ATOM 262 1HG ARG A 15 18.199 6.661 -9.476 1.00 0.00 H ATOM 263 2HG ARG A 15 16.990 6.920 -8.195 1.00 0.00 H ATOM 264 1HD ARG A 15 15.218 6.757 -9.877 1.00 0.00 H ATOM 265 2HD ARG A 15 16.452 6.414 -11.112 1.00 0.00 H ATOM 266 HE ARG A 15 15.453 4.620 -9.051 1.00 0.00 H ATOM 267 1HH1 ARG A 15 18.038 5.293 -11.333 1.00 0.00 H ATOM 268 2HH1 ARG A 15 18.576 3.630 -11.406 1.00 0.00 H ATOM 269 1HH2 ARG A 15 16.161 2.465 -9.154 1.00 0.00 H ATOM 270 2HH2 ARG A 15 17.514 2.028 -10.173 1.00 0.00 H ATOM 271 N GLY A 16 18.133 11.788 -8.620 1.00 0.00 N ATOM 272 CA GLY A 16 18.232 13.171 -9.069 1.00 0.00 C ATOM 273 C GLY A 16 16.974 13.601 -9.812 1.00 0.00 C ATOM 274 O GLY A 16 17.037 14.391 -10.755 1.00 0.00 O ATOM 275 H GLY A 16 17.907 11.599 -7.654 1.00 0.00 H ATOM 276 1HA GLY A 16 18.392 13.822 -8.210 1.00 0.00 H ATOM 277 2HA GLY A 16 19.099 13.281 -9.721 1.00 0.00 H ATOM 278 N ASN A 17 15.831 13.077 -9.382 1.00 0.00 N ATOM 279 CA ASN A 17 14.555 13.402 -10.009 1.00 0.00 C ATOM 280 C ASN A 17 13.552 13.913 -8.983 1.00 0.00 C ATOM 281 O ASN A 17 12.624 13.200 -8.600 1.00 0.00 O ATOM 282 CB ASN A 17 14.000 12.197 -10.746 1.00 0.00 C ATOM 283 CG ASN A 17 14.876 11.765 -11.888 1.00 0.00 C ATOM 284 OD1 ASN A 17 14.985 12.463 -12.903 1.00 0.00 O ATOM 285 ND2 ASN A 17 15.504 10.625 -11.743 1.00 0.00 N ATOM 286 H ASN A 17 15.846 12.437 -8.601 1.00 0.00 H ATOM 287 HA ASN A 17 14.718 14.206 -10.729 1.00 0.00 H ATOM 288 1HB ASN A 17 13.891 11.364 -10.050 1.00 0.00 H ATOM 289 2HB ASN A 17 13.008 12.433 -11.133 1.00 0.00 H ATOM 290 1HD2 ASN A 17 16.101 10.287 -12.472 1.00 0.00 H ATOM 291 2HD2 ASN A 17 15.387 10.093 -10.906 1.00 0.00 H ATOM 292 N GLU A 18 13.743 15.151 -8.540 1.00 0.00 N ATOM 293 CA GLU A 18 12.873 15.748 -7.535 1.00 0.00 C ATOM 294 C GLU A 18 11.447 15.889 -8.054 1.00 0.00 C ATOM 295 O GLU A 18 10.484 15.681 -7.316 1.00 0.00 O ATOM 296 CB GLU A 18 13.408 17.117 -7.111 1.00 0.00 C ATOM 297 CG GLU A 18 14.711 17.067 -6.325 1.00 0.00 C ATOM 298 CD GLU A 18 15.253 18.432 -6.002 1.00 0.00 C ATOM 299 OE1 GLU A 18 14.714 19.395 -6.493 1.00 0.00 O ATOM 300 OE2 GLU A 18 16.207 18.511 -5.265 1.00 0.00 O ATOM 301 H GLU A 18 14.512 15.691 -8.909 1.00 0.00 H ATOM 302 HA GLU A 18 12.863 15.101 -6.657 1.00 0.00 H ATOM 303 1HB GLU A 18 13.575 17.733 -7.995 1.00 0.00 H ATOM 304 2HB GLU A 18 12.665 17.624 -6.495 1.00 0.00 H ATOM 305 1HG GLU A 18 14.540 16.527 -5.393 1.00 0.00 H ATOM 306 2HG GLU A 18 15.450 16.514 -6.902 1.00 0.00 H ATOM 307 N ASP A 19 11.320 16.242 -9.329 1.00 0.00 N ATOM 308 CA ASP A 19 10.012 16.386 -9.956 1.00 0.00 C ATOM 309 C ASP A 19 9.244 15.070 -9.937 1.00 0.00 C ATOM 310 O ASP A 19 8.051 15.041 -9.632 1.00 0.00 O ATOM 311 CB ASP A 19 10.160 16.876 -11.399 1.00 0.00 C ATOM 312 CG ASP A 19 10.604 18.330 -11.488 1.00 0.00 C ATOM 313 OD1 ASP A 19 10.522 19.017 -10.498 1.00 0.00 O ATOM 314 OD2 ASP A 19 11.020 18.739 -12.546 1.00 0.00 O ATOM 315 H ASP A 19 12.150 16.415 -9.877 1.00 0.00 H ATOM 316 HA ASP A 19 9.442 17.132 -9.401 1.00 0.00 H ATOM 317 1HB ASP A 19 10.889 16.256 -11.921 1.00 0.00 H ATOM 318 2HB ASP A 19 9.207 16.769 -11.919 1.00 0.00 H ATOM 319 N LYS A 20 9.934 13.983 -10.264 1.00 0.00 N ATOM 320 CA LYS A 20 9.337 12.654 -10.216 1.00 0.00 C ATOM 321 C LYS A 20 8.934 12.282 -8.795 1.00 0.00 C ATOM 322 O LYS A 20 7.848 11.748 -8.567 1.00 0.00 O ATOM 323 CB LYS A 20 10.306 11.611 -10.777 1.00 0.00 C ATOM 324 CG LYS A 20 9.755 10.192 -10.806 1.00 0.00 C ATOM 325 CD LYS A 20 10.736 9.231 -11.461 1.00 0.00 C ATOM 326 CE LYS A 20 10.191 7.811 -11.483 1.00 0.00 C ATOM 327 NZ LYS A 20 11.118 6.870 -12.168 1.00 0.00 N ATOM 328 H LYS A 20 10.896 14.080 -10.554 1.00 0.00 H ATOM 329 HA LYS A 20 8.446 12.651 -10.845 1.00 0.00 H ATOM 330 1HB LYS A 20 10.583 11.883 -11.796 1.00 0.00 H ATOM 331 2HB LYS A 20 11.218 11.604 -10.181 1.00 0.00 H ATOM 332 1HG LYS A 20 9.557 9.857 -9.787 1.00 0.00 H ATOM 333 2HG LYS A 20 8.818 10.176 -11.363 1.00 0.00 H ATOM 334 1HD LYS A 20 10.932 9.553 -12.485 1.00 0.00 H ATOM 335 2HD LYS A 20 11.677 9.241 -10.911 1.00 0.00 H ATOM 336 1HE LYS A 20 10.032 7.467 -10.462 1.00 0.00 H ATOM 337 2HE LYS A 20 9.232 7.797 -12.001 1.00 0.00 H ATOM 338 1HZ LYS A 20 10.720 5.941 -12.162 1.00 0.00 H ATOM 339 2HZ LYS A 20 11.258 7.169 -13.123 1.00 0.00 H ATOM 340 3HZ LYS A 20 12.005 6.859 -11.686 1.00 0.00 H ATOM 341 N ALA A 21 9.814 12.568 -7.842 1.00 0.00 N ATOM 342 CA ALA A 21 9.540 12.288 -6.437 1.00 0.00 C ATOM 343 C ALA A 21 8.278 13.001 -5.970 1.00 0.00 C ATOM 344 O ALA A 21 7.459 12.428 -5.252 1.00 0.00 O ATOM 345 CB ALA A 21 10.727 12.694 -5.575 1.00 0.00 C ATOM 346 H ALA A 21 10.696 12.989 -8.097 1.00 0.00 H ATOM 347 HA ALA A 21 9.398 11.213 -6.319 1.00 0.00 H ATOM 348 1HB ALA A 21 10.507 12.479 -4.529 1.00 0.00 H ATOM 349 2HB ALA A 21 11.609 12.132 -5.883 1.00 0.00 H ATOM 350 3HB ALA A 21 10.915 13.759 -5.694 1.00 0.00 H ATOM 351 N LYS A 22 8.126 14.255 -6.382 1.00 0.00 N ATOM 352 CA LYS A 22 6.946 15.038 -6.035 1.00 0.00 C ATOM 353 C LYS A 22 5.692 14.456 -6.674 1.00 0.00 C ATOM 354 O LYS A 22 4.640 14.373 -6.039 1.00 0.00 O ATOM 355 CB LYS A 22 7.125 16.496 -6.462 1.00 0.00 C ATOM 356 CG LYS A 22 8.133 17.276 -5.628 1.00 0.00 C ATOM 357 CD LYS A 22 8.283 18.702 -6.135 1.00 0.00 C ATOM 358 CE LYS A 22 9.300 19.479 -5.312 1.00 0.00 C ATOM 359 NZ LYS A 22 9.477 20.869 -5.813 1.00 0.00 N ATOM 360 H LYS A 22 8.847 14.678 -6.949 1.00 0.00 H ATOM 361 HA LYS A 22 6.825 15.022 -4.951 1.00 0.00 H ATOM 362 1HB LYS A 22 7.451 16.533 -7.502 1.00 0.00 H ATOM 363 2HB LYS A 22 6.168 17.014 -6.400 1.00 0.00 H ATOM 364 1HG LYS A 22 7.803 17.301 -4.589 1.00 0.00 H ATOM 365 2HG LYS A 22 9.102 16.780 -5.671 1.00 0.00 H ATOM 366 1HD LYS A 22 8.607 18.687 -7.176 1.00 0.00 H ATOM 367 2HD LYS A 22 7.321 19.211 -6.080 1.00 0.00 H ATOM 368 1HE LYS A 22 8.973 19.519 -4.274 1.00 0.00 H ATOM 369 2HE LYS A 22 10.262 18.969 -5.346 1.00 0.00 H ATOM 370 1HZ LYS A 22 10.158 21.349 -5.242 1.00 0.00 H ATOM 371 2HZ LYS A 22 9.799 20.844 -6.770 1.00 0.00 H ATOM 372 3HZ LYS A 22 8.595 21.359 -5.768 1.00 0.00 H ATOM 373 N GLU A 23 5.809 14.053 -7.935 1.00 0.00 N ATOM 374 CA GLU A 23 4.709 13.403 -8.637 1.00 0.00 C ATOM 375 C GLU A 23 4.254 12.146 -7.905 1.00 0.00 C ATOM 376 O GLU A 23 3.058 11.924 -7.718 1.00 0.00 O ATOM 377 CB GLU A 23 5.123 13.049 -10.067 1.00 0.00 C ATOM 378 CG GLU A 23 4.041 12.356 -10.882 1.00 0.00 C ATOM 379 CD GLU A 23 4.483 12.025 -12.280 1.00 0.00 C ATOM 380 OE1 GLU A 23 5.519 12.497 -12.683 1.00 0.00 O ATOM 381 OE2 GLU A 23 3.784 11.298 -12.947 1.00 0.00 O ATOM 382 H GLU A 23 6.682 14.202 -8.420 1.00 0.00 H ATOM 383 HA GLU A 23 3.871 14.099 -8.689 1.00 0.00 H ATOM 384 1HB GLU A 23 5.411 13.957 -10.597 1.00 0.00 H ATOM 385 2HB GLU A 23 5.994 12.394 -10.042 1.00 0.00 H ATOM 386 1HG GLU A 23 3.753 11.435 -10.376 1.00 0.00 H ATOM 387 2HG GLU A 23 3.165 13.002 -10.927 1.00 0.00 H ATOM 388 N ILE A 24 5.216 11.328 -7.492 1.00 0.00 N ATOM 389 CA ILE A 24 4.919 10.112 -6.745 1.00 0.00 C ATOM 390 C ILE A 24 4.169 10.426 -5.456 1.00 0.00 C ATOM 391 O ILE A 24 3.198 9.753 -5.112 1.00 0.00 O ATOM 392 CB ILE A 24 6.210 9.341 -6.413 1.00 0.00 C ATOM 393 CG1 ILE A 24 6.851 8.798 -7.693 1.00 0.00 C ATOM 394 CG2 ILE A 24 5.919 8.210 -5.439 1.00 0.00 C ATOM 395 CD1 ILE A 24 8.268 8.306 -7.505 1.00 0.00 C ATOM 396 H ILE A 24 6.178 11.554 -7.701 1.00 0.00 H ATOM 397 HA ILE A 24 4.294 9.469 -7.365 1.00 0.00 H ATOM 398 HB ILE A 24 6.933 10.020 -5.962 1.00 0.00 H ATOM 399 1HG1 ILE A 24 6.252 7.974 -8.079 1.00 0.00 H ATOM 400 2HG1 ILE A 24 6.861 9.579 -8.455 1.00 0.00 H ATOM 401 1HG2 ILE A 24 6.842 7.676 -5.216 1.00 0.00 H ATOM 402 2HG2 ILE A 24 5.507 8.621 -4.518 1.00 0.00 H ATOM 403 3HG2 ILE A 24 5.200 7.522 -5.884 1.00 0.00 H ATOM 404 1HD1 ILE A 24 8.654 7.937 -8.455 1.00 0.00 H ATOM 405 2HD1 ILE A 24 8.894 9.126 -7.152 1.00 0.00 H ATOM 406 3HD1 ILE A 24 8.279 7.500 -6.773 1.00 0.00 H ATOM 407 N ALA A 25 4.626 11.453 -4.748 1.00 0.00 N ATOM 408 CA ALA A 25 3.965 11.895 -3.526 1.00 0.00 C ATOM 409 C ALA A 25 2.525 12.311 -3.798 1.00 0.00 C ATOM 410 O ALA A 25 1.622 12.006 -3.019 1.00 0.00 O ATOM 411 CB ALA A 25 4.736 13.043 -2.891 1.00 0.00 C ATOM 412 H ALA A 25 5.453 11.940 -5.064 1.00 0.00 H ATOM 413 HA ALA A 25 3.961 11.067 -2.815 1.00 0.00 H ATOM 414 1HB ALA A 25 4.230 13.362 -1.980 1.00 0.00 H ATOM 415 2HB ALA A 25 5.746 12.712 -2.649 1.00 0.00 H ATOM 416 3HB ALA A 25 4.786 13.877 -3.589 1.00 0.00 H ATOM 417 N LYS A 26 2.317 13.010 -4.908 1.00 0.00 N ATOM 418 CA LYS A 26 0.981 13.441 -5.303 1.00 0.00 C ATOM 419 C LYS A 26 0.085 12.247 -5.606 1.00 0.00 C ATOM 420 O LYS A 26 -1.097 12.242 -5.259 1.00 0.00 O ATOM 421 CB LYS A 26 1.054 14.365 -6.520 1.00 0.00 C ATOM 422 CG LYS A 26 1.637 15.742 -6.230 1.00 0.00 C ATOM 423 CD LYS A 26 1.722 16.584 -7.494 1.00 0.00 C ATOM 424 CE LYS A 26 2.318 17.954 -7.209 1.00 0.00 C ATOM 425 NZ LYS A 26 2.418 18.785 -8.439 1.00 0.00 N ATOM 426 H LYS A 26 3.104 13.250 -5.494 1.00 0.00 H ATOM 427 HA LYS A 26 0.543 14.008 -4.481 1.00 0.00 H ATOM 428 1HB LYS A 26 1.664 13.900 -7.295 1.00 0.00 H ATOM 429 2HB LYS A 26 0.054 14.506 -6.931 1.00 0.00 H ATOM 430 1HG LYS A 26 1.010 16.257 -5.501 1.00 0.00 H ATOM 431 2HG LYS A 26 2.636 15.632 -5.809 1.00 0.00 H ATOM 432 1HD LYS A 26 2.343 16.073 -8.231 1.00 0.00 H ATOM 433 2HD LYS A 26 0.724 16.713 -7.913 1.00 0.00 H ATOM 434 1HE LYS A 26 1.698 18.476 -6.482 1.00 0.00 H ATOM 435 2HE LYS A 26 3.315 17.836 -6.784 1.00 0.00 H ATOM 436 1HZ LYS A 26 2.818 19.683 -8.208 1.00 0.00 H ATOM 437 2HZ LYS A 26 3.008 18.318 -9.114 1.00 0.00 H ATOM 438 3HZ LYS A 26 1.498 18.918 -8.832 1.00 0.00 H ATOM 439 N ARG A 27 0.653 11.236 -6.254 1.00 0.00 N ATOM 440 CA ARG A 27 -0.093 10.032 -6.601 1.00 0.00 C ATOM 441 C ARG A 27 -0.342 9.166 -5.373 1.00 0.00 C ATOM 442 O ARG A 27 -1.378 8.510 -5.264 1.00 0.00 O ATOM 443 CB ARG A 27 0.657 9.221 -7.647 1.00 0.00 C ATOM 444 CG ARG A 27 0.728 9.862 -9.024 1.00 0.00 C ATOM 445 CD ARG A 27 1.461 9.006 -9.991 1.00 0.00 C ATOM 446 NE ARG A 27 1.641 9.668 -11.273 1.00 0.00 N ATOM 447 CZ ARG A 27 0.715 9.708 -12.250 1.00 0.00 C ATOM 448 NH1 ARG A 27 -0.449 9.122 -12.077 1.00 0.00 N ATOM 449 NH2 ARG A 27 0.975 10.337 -13.383 1.00 0.00 N ATOM 450 H ARG A 27 1.627 11.303 -6.514 1.00 0.00 H ATOM 451 HA ARG A 27 -1.055 10.330 -7.020 1.00 0.00 H ATOM 452 1HB ARG A 27 1.678 9.048 -7.310 1.00 0.00 H ATOM 453 2HB ARG A 27 0.181 8.247 -7.762 1.00 0.00 H ATOM 454 1HG ARG A 27 -0.281 10.022 -9.404 1.00 0.00 H ATOM 455 2HG ARG A 27 1.246 10.820 -8.953 1.00 0.00 H ATOM 456 1HD ARG A 27 2.446 8.765 -9.591 1.00 0.00 H ATOM 457 2HD ARG A 27 0.903 8.086 -10.158 1.00 0.00 H ATOM 458 HE ARG A 27 2.525 10.130 -11.444 1.00 0.00 H ATOM 459 1HH1 ARG A 27 -0.649 8.641 -11.211 1.00 0.00 H ATOM 460 2HH1 ARG A 27 -1.144 9.152 -12.809 1.00 0.00 H ATOM 461 1HH2 ARG A 27 1.870 10.788 -13.516 1.00 0.00 H ATOM 462 2HH2 ARG A 27 0.281 10.368 -14.115 1.00 0.00 H ATOM 463 N ALA A 28 0.614 9.167 -4.451 1.00 0.00 N ATOM 464 CA ALA A 28 0.537 8.320 -3.266 1.00 0.00 C ATOM 465 C ALA A 28 -0.110 9.059 -2.102 1.00 0.00 C ATOM 466 O ALA A 28 -0.283 8.500 -1.019 1.00 0.00 O ATOM 467 CB ALA A 28 1.923 7.827 -2.876 1.00 0.00 C ATOM 468 H ALA A 28 1.415 9.770 -4.573 1.00 0.00 H ATOM 469 HA ALA A 28 -0.078 7.452 -3.502 1.00 0.00 H ATOM 470 1HB ALA A 28 1.849 7.196 -1.991 1.00 0.00 H ATOM 471 2HB ALA A 28 2.349 7.251 -3.698 1.00 0.00 H ATOM 472 3HB ALA A 28 2.564 8.680 -2.661 1.00 0.00 H ATOM 473 N ASN A 29 -0.464 10.319 -2.331 1.00 0.00 N ATOM 474 CA ASN A 29 -1.108 11.132 -1.306 1.00 0.00 C ATOM 475 C ASN A 29 -0.201 11.311 -0.095 1.00 0.00 C ATOM 476 O ASN A 29 -0.663 11.294 1.046 1.00 0.00 O ATOM 477 CB ASN A 29 -2.435 10.520 -0.894 1.00 0.00 C ATOM 478 CG ASN A 29 -3.420 10.460 -2.028 1.00 0.00 C ATOM 479 OD1 ASN A 29 -3.565 11.421 -2.793 1.00 0.00 O ATOM 480 ND2 ASN A 29 -4.101 9.350 -2.152 1.00 0.00 N ATOM 481 H ASN A 29 -0.284 10.724 -3.238 1.00 0.00 H ATOM 482 HA ASN A 29 -1.296 12.124 -1.719 1.00 0.00 H ATOM 483 1HB ASN A 29 -2.269 9.510 -0.519 1.00 0.00 H ATOM 484 2HB ASN A 29 -2.868 11.104 -0.082 1.00 0.00 H ATOM 485 1HD2 ASN A 29 -4.771 9.254 -2.888 1.00 0.00 H ATOM 486 2HD2 ASN A 29 -3.952 8.598 -1.510 1.00 0.00 H ATOM 487 N VAL A 30 1.091 11.483 -0.350 1.00 0.00 N ATOM 488 CA VAL A 30 2.054 11.742 0.713 1.00 0.00 C ATOM 489 C VAL A 30 2.154 13.231 1.016 1.00 0.00 C ATOM 490 O VAL A 30 2.300 14.050 0.109 1.00 0.00 O ATOM 491 CB VAL A 30 3.443 11.207 0.318 1.00 0.00 C ATOM 492 CG1 VAL A 30 4.475 11.569 1.376 1.00 0.00 C ATOM 493 CG2 VAL A 30 3.381 9.700 0.119 1.00 0.00 C ATOM 494 H VAL A 30 1.415 11.433 -1.306 1.00 0.00 H ATOM 495 HA VAL A 30 1.719 11.230 1.615 1.00 0.00 H ATOM 496 HB VAL A 30 3.755 11.685 -0.611 1.00 0.00 H ATOM 497 1HG1 VAL A 30 5.451 11.184 1.080 1.00 0.00 H ATOM 498 2HG1 VAL A 30 4.528 12.653 1.476 1.00 0.00 H ATOM 499 3HG1 VAL A 30 4.186 11.129 2.331 1.00 0.00 H ATOM 500 1HG2 VAL A 30 4.366 9.329 -0.162 1.00 0.00 H ATOM 501 2HG2 VAL A 30 3.063 9.224 1.046 1.00 0.00 H ATOM 502 3HG2 VAL A 30 2.668 9.467 -0.672 1.00 0.00 H ATOM 503 N SER A 31 2.074 13.576 2.296 1.00 0.00 N ATOM 504 CA SER A 31 2.023 14.973 2.712 1.00 0.00 C ATOM 505 C SER A 31 3.371 15.655 2.519 1.00 0.00 C ATOM 506 O SER A 31 4.414 15.001 2.526 1.00 0.00 O ATOM 507 CB SER A 31 1.600 15.071 4.165 1.00 0.00 C ATOM 508 OG SER A 31 2.573 14.519 5.009 1.00 0.00 O ATOM 509 H SER A 31 2.047 12.853 3.000 1.00 0.00 H ATOM 510 HA SER A 31 1.292 15.492 2.091 1.00 0.00 H ATOM 511 1HB SER A 31 1.438 16.116 4.427 1.00 0.00 H ATOM 512 2HB SER A 31 0.655 14.548 4.304 1.00 0.00 H ATOM 513 HG SER A 31 2.474 13.566 4.939 1.00 0.00 H ATOM 514 N PRO A 32 3.343 16.972 2.346 1.00 0.00 N ATOM 515 CA PRO A 32 4.566 17.748 2.177 1.00 0.00 C ATOM 516 C PRO A 32 5.542 17.495 3.319 1.00 0.00 C ATOM 517 O PRO A 32 6.752 17.414 3.108 1.00 0.00 O ATOM 518 CB PRO A 32 4.059 19.194 2.178 1.00 0.00 C ATOM 519 CG PRO A 32 2.670 19.094 1.645 1.00 0.00 C ATOM 520 CD PRO A 32 2.130 17.823 2.243 1.00 0.00 C ATOM 521 HA PRO A 32 5.038 17.450 1.241 1.00 0.00 H ATOM 522 1HB PRO A 32 4.096 19.606 3.197 1.00 0.00 H ATOM 523 2HB PRO A 32 4.711 19.822 1.553 1.00 0.00 H ATOM 524 1HG PRO A 32 2.087 19.981 1.936 1.00 0.00 H ATOM 525 2HG PRO A 32 2.686 19.072 0.545 1.00 0.00 H ATOM 526 1HD PRO A 32 1.695 18.038 3.231 1.00 0.00 H ATOM 527 2HD PRO A 32 1.372 17.394 1.571 1.00 0.00 H ATOM 528 N GLU A 33 5.009 17.371 4.530 1.00 0.00 N ATOM 529 CA GLU A 33 5.827 17.083 5.701 1.00 0.00 C ATOM 530 C GLU A 33 6.553 15.752 5.552 1.00 0.00 C ATOM 531 O GLU A 33 7.766 15.671 5.741 1.00 0.00 O ATOM 532 CB GLU A 33 4.963 17.065 6.964 1.00 0.00 C ATOM 533 CG GLU A 33 5.731 16.780 8.247 1.00 0.00 C ATOM 534 CD GLU A 33 4.855 16.796 9.469 1.00 0.00 C ATOM 535 OE1 GLU A 33 3.701 17.129 9.345 1.00 0.00 O ATOM 536 OE2 GLU A 33 5.341 16.476 10.528 1.00 0.00 O ATOM 537 H GLU A 33 4.011 17.480 4.641 1.00 0.00 H ATOM 538 HA GLU A 33 6.569 17.875 5.809 1.00 0.00 H ATOM 539 1HB GLU A 33 4.467 18.029 7.079 1.00 0.00 H ATOM 540 2HB GLU A 33 4.187 16.307 6.863 1.00 0.00 H ATOM 541 1HG GLU A 33 6.203 15.801 8.166 1.00 0.00 H ATOM 542 2HG GLU A 33 6.518 17.524 8.360 1.00 0.00 H ATOM 543 N GLU A 34 5.802 14.709 5.213 1.00 0.00 N ATOM 544 CA GLU A 34 6.378 13.387 5.002 1.00 0.00 C ATOM 545 C GLU A 34 7.391 13.402 3.865 1.00 0.00 C ATOM 546 O GLU A 34 8.443 12.768 3.950 1.00 0.00 O ATOM 547 CB GLU A 34 5.277 12.367 4.704 1.00 0.00 C ATOM 548 CG GLU A 34 4.419 11.998 5.906 1.00 0.00 C ATOM 549 CD GLU A 34 3.189 11.219 5.530 1.00 0.00 C ATOM 550 OE1 GLU A 34 2.421 11.705 4.735 1.00 0.00 O ATOM 551 OE2 GLU A 34 3.018 10.135 6.037 1.00 0.00 O ATOM 552 H GLU A 34 4.807 14.836 5.098 1.00 0.00 H ATOM 553 HA GLU A 34 6.885 13.080 5.918 1.00 0.00 H ATOM 554 1HB GLU A 34 4.617 12.759 3.930 1.00 0.00 H ATOM 555 2HB GLU A 34 5.724 11.450 4.318 1.00 0.00 H ATOM 556 1HG GLU A 34 5.016 11.401 6.595 1.00 0.00 H ATOM 557 2HG GLU A 34 4.122 12.910 6.421 1.00 0.00 H ATOM 558 N TYR A 35 7.068 14.128 2.801 1.00 0.00 N ATOM 559 CA TYR A 35 7.966 14.258 1.660 1.00 0.00 C ATOM 560 C TYR A 35 9.325 14.799 2.087 1.00 0.00 C ATOM 561 O TYR A 35 10.365 14.263 1.705 1.00 0.00 O ATOM 562 CB TYR A 35 7.347 15.162 0.591 1.00 0.00 C ATOM 563 CG TYR A 35 8.256 15.421 -0.590 1.00 0.00 C ATOM 564 CD1 TYR A 35 8.314 14.508 -1.633 1.00 0.00 C ATOM 565 CD2 TYR A 35 9.031 16.571 -0.630 1.00 0.00 C ATOM 566 CE1 TYR A 35 9.144 14.745 -2.712 1.00 0.00 C ATOM 567 CE2 TYR A 35 9.860 16.807 -1.709 1.00 0.00 C ATOM 568 CZ TYR A 35 9.918 15.899 -2.747 1.00 0.00 C ATOM 569 OH TYR A 35 10.745 16.135 -3.821 1.00 0.00 O ATOM 570 H TYR A 35 6.177 14.603 2.782 1.00 0.00 H ATOM 571 HA TYR A 35 8.106 13.272 1.216 1.00 0.00 H ATOM 572 1HB TYR A 35 6.427 14.709 0.220 1.00 0.00 H ATOM 573 2HB TYR A 35 7.084 16.122 1.035 1.00 0.00 H ATOM 574 HD1 TYR A 35 7.706 13.605 -1.602 1.00 0.00 H ATOM 575 HD2 TYR A 35 8.985 17.287 0.190 1.00 0.00 H ATOM 576 HE1 TYR A 35 9.190 14.028 -3.532 1.00 0.00 H ATOM 577 HE2 TYR A 35 10.470 17.711 -1.740 1.00 0.00 H ATOM 578 HH TYR A 35 10.626 15.440 -4.474 1.00 0.00 H ATOM 579 N GLU A 36 9.309 15.864 2.881 1.00 0.00 N ATOM 580 CA GLU A 36 10.540 16.491 3.346 1.00 0.00 C ATOM 581 C GLU A 36 11.316 15.562 4.271 1.00 0.00 C ATOM 582 O GLU A 36 12.546 15.523 4.238 1.00 0.00 O ATOM 583 CB GLU A 36 10.230 17.804 4.069 1.00 0.00 C ATOM 584 CG GLU A 36 9.763 18.929 3.157 1.00 0.00 C ATOM 585 CD GLU A 36 10.787 19.306 2.123 1.00 0.00 C ATOM 586 OE1 GLU A 36 11.948 19.353 2.453 1.00 0.00 O ATOM 587 OE2 GLU A 36 10.408 19.548 1.001 1.00 0.00 O ATOM 588 H GLU A 36 8.421 16.249 3.170 1.00 0.00 H ATOM 589 HA GLU A 36 11.161 16.720 2.480 1.00 0.00 H ATOM 590 1HB GLU A 36 9.453 17.634 4.815 1.00 0.00 H ATOM 591 2HB GLU A 36 11.119 18.148 4.597 1.00 0.00 H ATOM 592 1HG GLU A 36 8.850 18.617 2.650 1.00 0.00 H ATOM 593 2HG GLU A 36 9.529 19.802 3.764 1.00 0.00 H ATOM 594 N ARG A 37 10.590 14.815 5.096 1.00 0.00 N ATOM 595 CA ARG A 37 11.200 13.808 5.955 1.00 0.00 C ATOM 596 C ARG A 37 11.876 12.718 5.132 1.00 0.00 C ATOM 597 O ARG A 37 12.969 12.263 5.466 1.00 0.00 O ATOM 598 CB ARG A 37 10.157 13.177 6.866 1.00 0.00 C ATOM 599 CG ARG A 37 9.625 14.092 7.958 1.00 0.00 C ATOM 600 CD ARG A 37 8.616 13.406 8.805 1.00 0.00 C ATOM 601 NE ARG A 37 7.975 14.323 9.735 1.00 0.00 N ATOM 602 CZ ARG A 37 8.488 14.687 10.926 1.00 0.00 C ATOM 603 NH1 ARG A 37 9.647 14.206 11.318 1.00 0.00 N ATOM 604 NH2 ARG A 37 7.826 15.529 11.700 1.00 0.00 N ATOM 605 H ARG A 37 9.589 14.950 5.130 1.00 0.00 H ATOM 606 HA ARG A 37 11.953 14.293 6.578 1.00 0.00 H ATOM 607 1HB ARG A 37 9.307 12.846 6.271 1.00 0.00 H ATOM 608 2HB ARG A 37 10.581 12.297 7.350 1.00 0.00 H ATOM 609 1HG ARG A 37 10.448 14.414 8.596 1.00 0.00 H ATOM 610 2HG ARG A 37 9.154 14.965 7.504 1.00 0.00 H ATOM 611 1HD ARG A 37 7.845 12.969 8.172 1.00 0.00 H ATOM 612 2HD ARG A 37 9.101 12.619 9.383 1.00 0.00 H ATOM 613 HE ARG A 37 7.081 14.714 9.468 1.00 0.00 H ATOM 614 1HH1 ARG A 37 10.153 13.563 10.726 1.00 0.00 H ATOM 615 2HH1 ARG A 37 10.031 14.480 12.210 1.00 0.00 H ATOM 616 1HH2 ARG A 37 6.934 15.899 11.399 1.00 0.00 H ATOM 617 2HH2 ARG A 37 8.210 15.802 12.593 1.00 0.00 H ATOM 618 N LEU A 38 11.218 12.305 4.054 1.00 0.00 N ATOM 619 CA LEU A 38 11.781 11.312 3.147 1.00 0.00 C ATOM 620 C LEU A 38 13.034 11.841 2.461 1.00 0.00 C ATOM 621 O LEU A 38 14.003 11.108 2.266 1.00 0.00 O ATOM 622 CB LEU A 38 10.744 10.909 2.091 1.00 0.00 C ATOM 623 CG LEU A 38 9.542 10.110 2.611 1.00 0.00 C ATOM 624 CD1 LEU A 38 8.503 9.978 1.506 1.00 0.00 C ATOM 625 CD2 LEU A 38 10.009 8.743 3.089 1.00 0.00 C ATOM 626 H LEU A 38 10.304 12.687 3.859 1.00 0.00 H ATOM 627 HA LEU A 38 12.047 10.426 3.725 1.00 0.00 H ATOM 628 1HB LEU A 38 10.361 11.812 1.618 1.00 0.00 H ATOM 629 2HB LEU A 38 11.238 10.307 1.330 1.00 0.00 H ATOM 630 HG LEU A 38 9.079 10.646 3.440 1.00 0.00 H ATOM 631 1HD1 LEU A 38 7.649 9.410 1.875 1.00 0.00 H ATOM 632 2HD1 LEU A 38 8.172 10.970 1.196 1.00 0.00 H ATOM 633 3HD1 LEU A 38 8.942 9.460 0.654 1.00 0.00 H ATOM 634 1HD2 LEU A 38 9.154 8.176 3.459 1.00 0.00 H ATOM 635 2HD2 LEU A 38 10.470 8.206 2.260 1.00 0.00 H ATOM 636 3HD2 LEU A 38 10.737 8.867 3.891 1.00 0.00 H ATOM 637 N ARG A 39 13.007 13.119 2.096 1.00 0.00 N ATOM 638 CA ARG A 39 14.162 13.764 1.483 1.00 0.00 C ATOM 639 C ARG A 39 15.353 13.781 2.433 1.00 0.00 C ATOM 640 O ARG A 39 16.490 13.551 2.022 1.00 0.00 O ATOM 641 CB ARG A 39 13.824 15.190 1.074 1.00 0.00 C ATOM 642 CG ARG A 39 14.928 15.921 0.327 1.00 0.00 C ATOM 643 CD ARG A 39 14.462 17.228 -0.202 1.00 0.00 C ATOM 644 NE ARG A 39 14.158 18.167 0.865 1.00 0.00 N ATOM 645 CZ ARG A 39 15.078 18.880 1.543 1.00 0.00 C ATOM 646 NH1 ARG A 39 16.354 18.750 1.254 1.00 0.00 N ATOM 647 NH2 ARG A 39 14.699 19.710 2.499 1.00 0.00 N ATOM 648 H ARG A 39 12.166 13.656 2.247 1.00 0.00 H ATOM 649 HA ARG A 39 14.437 13.205 0.588 1.00 0.00 H ATOM 650 1HB ARG A 39 12.942 15.185 0.435 1.00 0.00 H ATOM 651 2HB ARG A 39 13.582 15.776 1.961 1.00 0.00 H ATOM 652 1HG ARG A 39 15.765 16.103 1.002 1.00 0.00 H ATOM 653 2HG ARG A 39 15.265 15.311 -0.512 1.00 0.00 H ATOM 654 1HD ARG A 39 15.239 17.664 -0.829 1.00 0.00 H ATOM 655 2HD ARG A 39 13.560 17.080 -0.794 1.00 0.00 H ATOM 656 HE ARG A 39 13.186 18.295 1.116 1.00 0.00 H ATOM 657 1HH1 ARG A 39 16.644 18.115 0.523 1.00 0.00 H ATOM 658 2HH1 ARG A 39 17.044 19.284 1.762 1.00 0.00 H ATOM 659 1HH2 ARG A 39 13.718 19.811 2.721 1.00 0.00 H ATOM 660 2HH2 ARG A 39 15.389 20.244 3.006 1.00 0.00 H ATOM 661 N LYS A 40 15.084 14.054 3.705 1.00 0.00 N ATOM 662 CA LYS A 40 16.119 14.018 4.731 1.00 0.00 C ATOM 663 C LYS A 40 16.748 12.633 4.831 1.00 0.00 C ATOM 664 O LYS A 40 17.955 12.502 5.034 1.00 0.00 O ATOM 665 CB LYS A 40 15.545 14.433 6.086 1.00 0.00 C ATOM 666 CG LYS A 40 15.206 15.914 6.198 1.00 0.00 C ATOM 667 CD LYS A 40 14.595 16.240 7.553 1.00 0.00 C ATOM 668 CE LYS A 40 14.244 17.717 7.662 1.00 0.00 C ATOM 669 NZ LYS A 40 13.631 18.047 8.977 1.00 0.00 N ATOM 670 H LYS A 40 14.139 14.293 3.968 1.00 0.00 H ATOM 671 HA LYS A 40 16.896 14.736 4.465 1.00 0.00 H ATOM 672 1HB LYS A 40 14.636 13.866 6.286 1.00 0.00 H ATOM 673 2HB LYS A 40 16.260 14.194 6.874 1.00 0.00 H ATOM 674 1HG LYS A 40 16.112 16.506 6.066 1.00 0.00 H ATOM 675 2HG LYS A 40 14.498 16.185 5.415 1.00 0.00 H ATOM 676 1HD LYS A 40 13.689 15.649 7.696 1.00 0.00 H ATOM 677 2HD LYS A 40 15.302 15.985 8.342 1.00 0.00 H ATOM 678 1HE LYS A 40 15.146 18.314 7.535 1.00 0.00 H ATOM 679 2HE LYS A 40 13.544 17.984 6.871 1.00 0.00 H ATOM 680 1HZ LYS A 40 13.413 19.033 9.009 1.00 0.00 H ATOM 681 2HZ LYS A 40 12.782 17.512 9.097 1.00 0.00 H ATOM 682 3HZ LYS A 40 14.279 17.822 9.718 1.00 0.00 H ATOM 683 N GLU A 41 15.922 11.603 4.688 1.00 0.00 N ATOM 684 CA GLU A 41 16.406 10.227 4.687 1.00 0.00 C ATOM 685 C GLU A 41 17.168 9.912 3.405 1.00 0.00 C ATOM 686 O GLU A 41 18.180 9.212 3.430 1.00 0.00 O ATOM 687 CB GLU A 41 15.239 9.251 4.851 1.00 0.00 C ATOM 688 CG GLU A 41 14.583 9.281 6.224 1.00 0.00 C ATOM 689 CD GLU A 41 13.460 8.290 6.357 1.00 0.00 C ATOM 690 OE1 GLU A 41 13.221 7.563 5.423 1.00 0.00 O ATOM 691 OE2 GLU A 41 12.842 8.259 7.395 1.00 0.00 O ATOM 692 H GLU A 41 14.933 11.776 4.576 1.00 0.00 H ATOM 693 HA GLU A 41 17.079 10.097 5.535 1.00 0.00 H ATOM 694 1HB GLU A 41 14.472 9.472 4.108 1.00 0.00 H ATOM 695 2HB GLU A 41 15.587 8.234 4.668 1.00 0.00 H ATOM 696 1HG GLU A 41 15.336 9.063 6.980 1.00 0.00 H ATOM 697 2HG GLU A 41 14.200 10.283 6.410 1.00 0.00 H ATOM 698 N ALA A 42 16.675 10.434 2.287 1.00 0.00 N ATOM 699 CA ALA A 42 17.287 10.179 0.989 1.00 0.00 C ATOM 700 C ALA A 42 18.663 10.825 0.892 1.00 0.00 C ATOM 701 O ALA A 42 19.596 10.243 0.338 1.00 0.00 O ATOM 702 CB ALA A 42 16.387 10.683 -0.130 1.00 0.00 C ATOM 703 H ALA A 42 15.855 11.022 2.338 1.00 0.00 H ATOM 704 HA ALA A 42 17.398 9.101 0.863 1.00 0.00 H ATOM 705 1HB ALA A 42 16.858 10.486 -1.093 1.00 0.00 H ATOM 706 2HB ALA A 42 15.427 10.169 -0.083 1.00 0.00 H ATOM 707 3HB ALA A 42 16.231 11.755 -0.016 1.00 0.00 H ATOM 708 N GLU A 43 18.784 12.032 1.435 1.00 0.00 N ATOM 709 CA GLU A 43 20.037 12.776 1.379 1.00 0.00 C ATOM 710 C GLU A 43 21.003 12.309 2.460 1.00 0.00 C ATOM 711 O GLU A 43 20.586 11.866 3.530 1.00 0.00 O ATOM 712 OXT GLU A 43 22.187 12.371 2.274 1.00 0.00 O ATOM 713 CB GLU A 43 19.774 14.276 1.529 1.00 0.00 C ATOM 714 CG GLU A 43 18.988 14.894 0.382 1.00 0.00 C ATOM 715 CD GLU A 43 18.704 16.356 0.588 1.00 0.00 C ATOM 716 OE1 GLU A 43 19.199 16.909 1.540 1.00 0.00 O ATOM 717 OE2 GLU A 43 17.991 16.920 -0.208 1.00 0.00 O ATOM 718 H GLU A 43 17.987 12.445 1.899 1.00 0.00 H ATOM 719 HA GLU A 43 20.505 12.592 0.411 1.00 0.00 H ATOM 720 1HB GLU A 43 19.221 14.458 2.450 1.00 0.00 H ATOM 721 2HB GLU A 43 20.724 14.805 1.607 1.00 0.00 H ATOM 722 1HG GLU A 43 19.555 14.772 -0.541 1.00 0.00 H ATOM 723 2HG GLU A 43 18.046 14.358 0.270 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE nods_bigger.blueprint.34_try71_pass_20150322175110_0001_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 rama omega fa_dun p_aa_pp ref total weights 0.8 0.44 0.75 0.004 0.7 1 1.17 1.17 1.17 1.1 1 0.2 0.5 0.56 0.32 1 NA pose -169.371 16.0799 99.9301 0.26109 -25.5379 0.01178 -23.3841 -1.84394 -0.94523 -7.347 0 -7.10537 1.98522 49.9324 -5.12837 -19.073 -91.5356 ARG:NtermProteinFull_1 -2.51702 0.19046 2.26603 0.01195 -0.82282 0 0 0 0 -0.2105 0 0 0.12021 1.37544 0 -0.14916 0.26459 ASP_2 -2.24472 0.1902 1.67428 0.0033 0.09722 0 0 0 0 0 0 -0.16429 0.01421 1.33409 0.00889 -1.28682 -0.37364 GLU_3 -3.24648 0.31985 2.49476 0.00516 -0.88612 0 0 0 0 -0.38674 0 -0.26307 0.12095 2.34226 -0.15897 -1.55374 -1.21213 ASP_4 -4.09824 0.35339 2.93746 0.00337 -1.04943 0 0 0 0 -0.2105 0 -0.16917 0.13522 1.31504 0.00052 -1.28682 -2.06916 GLU_5 -4.93816 0.48792 3.25619 0.00501 -1.12874 0 0 0 0 -0.4597 0 -0.26628 0.1597 2.39301 -0.1513 -1.55374 -2.19609 LYS_6 -6.11165 0.60679 3.60383 0.00309 -1.74051 0 0 0 0 -0.38674 0 -0.24176 0.13922 0.76112 -0.04117 -0.28737 -3.69518 GLU_7 -3.98807 0.3914 2.94694 0.00489 -1.13292 0 0 0 0 -0.37758 0 -0.25881 0.07189 2.40748 -0.13997 -1.55374 -1.62849 LYS_8 -4.66945 0.40597 2.955 0.00311 -1.15822 0 0 0 0 -0.4597 0 -0.23086 0.10123 0.77568 -0.04392 -0.28737 -2.60853 ILE_9 -6.35192 0.77739 1.82999 0.02079 -0.19285 0 0 0 0 0 0 0.04395 0.00164 0.09383 -0.08586 0.8318 -3.03124 LYS_10 -6.18637 0.54823 3.79251 0.00457 -1.98429 0 0 0 0 -0.57334 0 -0.19522 0.01578 1.83883 -0.04812 -0.28737 -3.07482 GLU_11 -4.30008 0.40781 2.94485 0.00724 -0.93311 0 0 0 0 -0.49741 0 -0.10368 0.00109 2.13132 -0.10938 -1.55374 -2.0051 ALA_12 -4.6239 0.23919 2.09008 0.00074 -0.41576 0 0 0 0 0 0 -0.16428 0.07176 0 -0.19131 0.59294 -2.40054 LEU_13 -5.01393 0.65765 1.7475 0.00639 -0.0733 0 0 0 0 0 0 -0.10538 0.0043 0.29608 -0.12007 0.60233 -1.99844 LYS_14 -2.96197 0.40374 1.59426 0.00312 -0.07494 0 0 0 0 0 0 -0.27705 0.00045 0.71639 -0.03879 -0.28737 -0.92217 ARG_15 -3.49915 0.37449 2.49472 0.01003 -0.65121 0 0 0 0 -0.49741 0 -0.2021 0.0328 1.32302 -0.0032 -0.14916 -0.76717 GLY_16 -1.58908 0.31725 1.08984 2e-05 -0.14574 0 0 0 0 0 0 -0.27651 0.00025 0 -0.74661 0.14053 -1.21006 ASN_17 -4.00153 0.24672 2.56029 0.00414 -0.29197 0 0 0 0 0 0 0.0226 0.01005 1.54266 -0.28107 -0.94198 -1.13009 GLU_18 -2.69412 0.22424 1.67685 0.0046 -0.16762 0 0 0 0 0 0 -0.24684 0.0073 2.10104 -0.12145 -1.55374 -0.76975 ASP_19 -2.21 0.20024 1.48029 0.00335 -0.09363 0 0 0 0 0 0 -0.08786 0.05537 1.29545 0.0572 -1.28682 -0.58642 LYS_20 -3.67538 0.3517 1.72476 0.0053 0.00231 0 0 0 0 0 0 -0.17745 0.00771 0.94646 -0.04459 -0.28737 -1.14654 ALA_21 -4.93061 0.41216 1.97933 0.00074 -0.14795 0 0 0 0 0 0 -0.14498 0.01303 0 -0.17922 0.59294 -2.40456 LYS_22 -4.35374 0.35898 2.42134 0.00307 -0.3671 0 0 0 0 0 0 -0.1926 0.07276 0.80841 -0.04274 -0.28737 -1.57899 GLU_23 -4.26644 0.31164 2.88877 0.00743 -0.95257 0 0 0 0 -0.427 0 -0.14866 0.01716 2.23845 -0.09776 -1.55374 -1.98273 ILE_24 -5.42648 0.5018 2.14291 0.01981 -0.43726 0 0 0 0 0 0 -0.00847 0.03668 0.11236 -0.0492 0.8318 -2.27605 ALA_25 -4.44106 0.34927 1.96945 0.00074 -0.32328 0 0 0 0 0 0 -0.16722 0.01235 0 -0.18875 0.59294 -2.19556 LYS_26 -2.87342 0.24006 1.63311 0.00309 0.02996 0 0 0 0 0 0 -0.22023 0.0002 0.78317 -0.04359 -0.28737 -0.73502 ARG_27 -3.07206 0.22879 2.12331 0.00959 -0.80231 0 0 0 0 -0.427 0 -0.19681 0.0695 1.54334 -0.10449 -0.14916 -0.7773 ALA_28 -2.7988 0.50749 1.44967 0.00108 -0.16558 0 0 0 0 0 0 -0.14363 0.00303 0 0.00068 0.59294 -0.55312 ASN_29 -1.99875 0.32966 1.51241 0.00462 0.0335 0 0 0 0 0 0 -0.32272 0.06413 1.2927 -0.54416 -0.94198 -0.5706 VAL_30 -3.69884 0.36359 1.24693 0.0135 -0.16769 0 0 0 0 0 0 -0.23153 0.18833 0.02403 -0.17565 0.74484 -1.69249 SER_31 -3.16998 0.54689 2.53614 0.00146 -1.06117 0.00073 0 0 -0.47261 -0.31151 0 -0.30044 0.0076 0.23658 -0.17735 0.17658 -1.98709 PRO_32 -2.07458 0.33788 1.12999 0.00095 -0.13407 0.01105 0 0 0 0 0 0.0057 0.0214 0.07148 -0.20284 -0.21929 -1.05232 GLU_33 -3.295 0.44646 2.2663 0.00717 -0.86246 0 0 0 0 -0.29364 0 -0.09464 0.01485 2.11342 -0.1104 -1.55374 -1.36166 GLU_34 -5.04169 0.52479 3.74798 0.00298 -1.69004 0 0 0 -0.47261 -0.31151 0 -0.22411 0.01596 2.93854 -0.10404 -1.55374 -2.16748 TYR_35 -6.42971 0.41888 3.10435 0.0273 -0.45855 0 0 0 0 0 0 0.01205 0.00392 1.30101 -0.05456 0.1317 -1.94361 GLU_36 -4.60929 0.29479 3.31934 0.00551 -1.32895 0 0 0 0 -0.30564 0 -0.25285 0.12673 2.47026 -0.13997 -1.55374 -1.9738 ARG_37 -4.43413 0.32241 2.81289 0.00954 -0.84706 0 0 0 0 -0.29364 0 -0.19597 0.04091 1.65844 -0.08601 -0.14916 -1.16176 LEU_38 -5.93804 0.64455 2.33106 0.00649 -0.35022 0 0 0 0 0 0 -0.1217 0.03636 0.21395 -0.12263 0.60233 -2.69785 ARG_39 -5.57826 0.50573 4.06136 0.01281 -1.94968 0 0 0 0 -0.51367 0 -0.19738 0.07874 1.72091 -0.08595 -0.14916 -2.09454 LYS_40 -3.011 0.2135 1.76503 0.00309 0.11484 0 0 0 0 0 0 -0.21177 0.061 0.79157 -0.05007 -0.28737 -0.6112 GLU_41 -3.28122 0.26132 2.56028 0.00448 -0.66934 0 0 0 0 -0.19576 0 -0.21214 0.01495 2.19872 -0.16788 -1.55374 -1.04034 ALA_42 -3.01266 0.10655 1.29533 0.00073 0.19546 0 0 0 0 0 0 -0.17119 0.01453 0 -0.1426 0.59294 -1.1209 GLU:CtermProteinFull_43 -2.71414 0.1581 2.47234 0.00475 -0.35275 0 0 0 0 -0.20803 0 0 0 2.42584 0 -1.55374 0.23238 #END_POSE_ENERGIES_TABLE nods_bigger.blueprint.34_try71_pass_20150322175110_0001_0001.pdb AlaCount 5 bb -0.0428723 buried_minus_exposed 3488.23 buried_np 5056.62 buried_over_exposed 3.22407 cavity_volume 0 contact_all 192 contact_core_SASA 192 contact_core_SCN 192 degree 10.3023 degree_core_SASA 10.3023 degree_core_SCN 10.3023 exposed_hydrophobics 1568.38 holes 1.38152 mismatch_probability 0.124257 one_core_each 1 pack 0.687592 percent_core_SASA 0.0930016 percent_core_SCN 0.116252 res_count_core_SASA 4 res_count_core_SCN 5 ss_sc 0.818463 two_core_each 0.333333 unsat_hbond 2
HHH_rd1_0516.pdb
ATOM 1 N ASP A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA ASP A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C ASP A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O ASP A 1 1.251 2.390 -0.031 1.00 0.00 O ATOM 5 CB ASP A 1 1.995 -0.762 -1.214 1.00 0.00 C ATOM 6 CG ASP A 1 1.694 -0.062 -2.533 1.00 0.00 C ATOM 7 OD1 ASP A 1 1.325 1.088 -2.502 1.00 0.00 O ATOM 8 OD2 ASP A 1 1.836 -0.684 -3.558 1.00 0.00 O ATOM 9 1H ASP A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 10 2H ASP A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 11 3H ASP A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 12 HA ASP A 1 1.804 -0.499 0.904 1.00 0.00 H ATOM 13 1HB ASP A 1 3.074 -0.881 -1.121 1.00 0.00 H ATOM 14 2HB ASP A 1 1.556 -1.760 -1.241 1.00 0.00 H ATOM 15 N GLU A 2 3.332 1.536 0.035 1.00 0.00 N ATOM 16 CA GLU A 2 3.985 2.837 0.116 1.00 0.00 C ATOM 17 C GLU A 2 3.614 3.715 -1.073 1.00 0.00 C ATOM 18 O GLU A 2 3.249 4.879 -0.908 1.00 0.00 O ATOM 19 CB GLU A 2 5.505 2.668 0.182 1.00 0.00 C ATOM 20 CG GLU A 2 6.280 3.976 0.256 1.00 0.00 C ATOM 21 CD GLU A 2 7.769 3.771 0.306 1.00 0.00 C ATOM 22 OE1 GLU A 2 8.190 2.659 0.520 1.00 0.00 O ATOM 23 OE2 GLU A 2 8.486 4.728 0.130 1.00 0.00 O ATOM 24 H GLU A 2 3.900 0.702 0.005 1.00 0.00 H ATOM 25 HA GLU A 2 3.659 3.332 1.031 1.00 0.00 H ATOM 26 1HB GLU A 2 5.767 2.074 1.058 1.00 0.00 H ATOM 27 2HB GLU A 2 5.849 2.124 -0.698 1.00 0.00 H ATOM 28 1HG GLU A 2 6.038 4.580 -0.618 1.00 0.00 H ATOM 29 2HG GLU A 2 5.963 4.524 1.141 1.00 0.00 H ATOM 30 N ASP A 3 3.709 3.149 -2.272 1.00 0.00 N ATOM 31 CA ASP A 3 3.472 3.905 -3.496 1.00 0.00 C ATOM 32 C ASP A 3 2.067 4.494 -3.516 1.00 0.00 C ATOM 33 O ASP A 3 1.882 5.670 -3.828 1.00 0.00 O ATOM 34 CB ASP A 3 3.676 3.014 -4.724 1.00 0.00 C ATOM 35 CG ASP A 3 5.139 2.677 -4.974 1.00 0.00 C ATOM 36 OD1 ASP A 3 5.984 3.318 -4.395 1.00 0.00 O ATOM 37 OD2 ASP A 3 5.399 1.781 -5.742 1.00 0.00 O ATOM 38 H ASP A 3 3.952 2.171 -2.336 1.00 0.00 H ATOM 39 HA ASP A 3 4.194 4.721 -3.544 1.00 0.00 H ATOM 40 1HB ASP A 3 3.120 2.085 -4.596 1.00 0.00 H ATOM 41 2HB ASP A 3 3.277 3.515 -5.607 1.00 0.00 H ATOM 42 N SER A 4 1.080 3.670 -3.182 1.00 0.00 N ATOM 43 CA SER A 4 -0.313 4.099 -3.192 1.00 0.00 C ATOM 44 C SER A 4 -0.577 5.138 -2.109 1.00 0.00 C ATOM 45 O SER A 4 -1.440 6.002 -2.262 1.00 0.00 O ATOM 46 CB SER A 4 -1.228 2.906 -2.994 1.00 0.00 C ATOM 47 OG SER A 4 -0.995 2.295 -1.755 1.00 0.00 O ATOM 48 H SER A 4 1.301 2.721 -2.914 1.00 0.00 H ATOM 49 HA SER A 4 -0.532 4.543 -4.163 1.00 0.00 H ATOM 50 1HB SER A 4 -2.267 3.231 -3.053 1.00 0.00 H ATOM 51 2HB SER A 4 -1.065 2.186 -3.794 1.00 0.00 H ATOM 52 HG SER A 4 -0.081 2.003 -1.772 1.00 0.00 H ATOM 53 N GLU A 5 0.172 5.048 -1.015 1.00 0.00 N ATOM 54 CA GLU A 5 0.105 6.049 0.043 1.00 0.00 C ATOM 55 C GLU A 5 0.671 7.383 -0.425 1.00 0.00 C ATOM 56 O GLU A 5 0.142 8.444 -0.091 1.00 0.00 O ATOM 57 CB GLU A 5 0.865 5.567 1.281 1.00 0.00 C ATOM 58 CG GLU A 5 0.727 6.475 2.496 1.00 0.00 C ATOM 59 CD GLU A 5 -0.671 6.502 3.050 1.00 0.00 C ATOM 60 OE1 GLU A 5 -1.435 5.625 2.727 1.00 0.00 O ATOM 61 OE2 GLU A 5 -0.974 7.402 3.797 1.00 0.00 O ATOM 62 H GLU A 5 0.803 4.266 -0.914 1.00 0.00 H ATOM 63 HA GLU A 5 -0.940 6.190 0.320 1.00 0.00 H ATOM 64 1HB GLU A 5 0.510 4.576 1.563 1.00 0.00 H ATOM 65 2HB GLU A 5 1.926 5.481 1.047 1.00 0.00 H ATOM 66 1HG GLU A 5 1.407 6.129 3.274 1.00 0.00 H ATOM 67 2HG GLU A 5 1.022 7.485 2.217 1.00 0.00 H ATOM 68 N ARG A 6 1.749 7.324 -1.199 1.00 0.00 N ATOM 69 CA ARG A 6 2.342 8.523 -1.780 1.00 0.00 C ATOM 70 C ARG A 6 1.405 9.164 -2.796 1.00 0.00 C ATOM 71 O ARG A 6 1.345 10.388 -2.914 1.00 0.00 O ATOM 72 CB ARG A 6 3.666 8.193 -2.454 1.00 0.00 C ATOM 73 CG ARG A 6 4.799 7.846 -1.501 1.00 0.00 C ATOM 74 CD ARG A 6 6.055 7.539 -2.231 1.00 0.00 C ATOM 75 NE ARG A 6 7.119 7.126 -1.330 1.00 0.00 N ATOM 76 CZ ARG A 6 7.928 7.972 -0.663 1.00 0.00 C ATOM 77 NH1 ARG A 6 7.782 9.271 -0.806 1.00 0.00 N ATOM 78 NH2 ARG A 6 8.868 7.497 0.135 1.00 0.00 N ATOM 79 H ARG A 6 2.170 6.426 -1.389 1.00 0.00 H ATOM 80 HA ARG A 6 2.532 9.239 -0.979 1.00 0.00 H ATOM 81 1HB ARG A 6 3.530 7.348 -3.127 1.00 0.00 H ATOM 82 2HB ARG A 6 3.990 9.043 -3.055 1.00 0.00 H ATOM 83 1HG ARG A 6 4.986 8.688 -0.835 1.00 0.00 H ATOM 84 2HG ARG A 6 4.523 6.971 -0.911 1.00 0.00 H ATOM 85 1HD ARG A 6 5.876 6.731 -2.940 1.00 0.00 H ATOM 86 2HD ARG A 6 6.389 8.425 -2.769 1.00 0.00 H ATOM 87 HE ARG A 6 7.262 6.134 -1.195 1.00 0.00 H ATOM 88 1HH1 ARG A 6 7.063 9.634 -1.415 1.00 0.00 H ATOM 89 2HH1 ARG A 6 8.388 9.905 -0.305 1.00 0.00 H ATOM 90 1HH2 ARG A 6 8.980 6.498 0.245 1.00 0.00 H ATOM 91 2HH2 ARG A 6 9.474 8.131 0.635 1.00 0.00 H ATOM 92 N GLU A 7 0.674 8.329 -3.527 1.00 0.00 N ATOM 93 CA GLU A 7 -0.305 8.814 -4.493 1.00 0.00 C ATOM 94 C GLU A 7 -1.453 9.536 -3.799 1.00 0.00 C ATOM 95 O GLU A 7 -1.974 10.528 -4.308 1.00 0.00 O ATOM 96 CB GLU A 7 -0.850 7.653 -5.328 1.00 0.00 C ATOM 97 CG GLU A 7 0.162 7.035 -6.282 1.00 0.00 C ATOM 98 CD GLU A 7 0.701 8.021 -7.281 1.00 0.00 C ATOM 99 OE1 GLU A 7 -0.080 8.730 -7.868 1.00 0.00 O ATOM 100 OE2 GLU A 7 1.896 8.064 -7.458 1.00 0.00 O ATOM 101 H GLU A 7 0.799 7.334 -3.411 1.00 0.00 H ATOM 102 HA GLU A 7 0.190 9.513 -5.167 1.00 0.00 H ATOM 103 1HB GLU A 7 -1.210 6.865 -4.665 1.00 0.00 H ATOM 104 2HB GLU A 7 -1.700 7.997 -5.918 1.00 0.00 H ATOM 105 1HG GLU A 7 0.992 6.631 -5.703 1.00 0.00 H ATOM 106 2HG GLU A 7 -0.311 6.209 -6.812 1.00 0.00 H ATOM 107 N LEU A 8 -1.844 9.032 -2.633 1.00 0.00 N ATOM 108 CA LEU A 8 -2.821 9.713 -1.792 1.00 0.00 C ATOM 109 C LEU A 8 -2.339 11.106 -1.406 1.00 0.00 C ATOM 110 O LEU A 8 -3.101 12.071 -1.451 1.00 0.00 O ATOM 111 CB LEU A 8 -3.096 8.892 -0.527 1.00 0.00 C ATOM 112 CG LEU A 8 -4.109 9.497 0.453 1.00 0.00 C ATOM 113 CD1 LEU A 8 -5.462 9.630 -0.233 1.00 0.00 C ATOM 114 CD2 LEU A 8 -4.207 8.619 1.691 1.00 0.00 C ATOM 115 H LEU A 8 -1.454 8.154 -2.321 1.00 0.00 H ATOM 116 HA LEU A 8 -3.752 9.808 -2.351 1.00 0.00 H ATOM 117 1HB LEU A 8 -3.467 7.912 -0.823 1.00 0.00 H ATOM 118 2HB LEU A 8 -2.157 8.755 0.010 1.00 0.00 H ATOM 119 HG LEU A 8 -3.783 10.497 0.742 1.00 0.00 H ATOM 120 1HD1 LEU A 8 -6.182 10.060 0.463 1.00 0.00 H ATOM 121 2HD1 LEU A 8 -5.367 10.279 -1.104 1.00 0.00 H ATOM 122 3HD1 LEU A 8 -5.807 8.646 -0.549 1.00 0.00 H ATOM 123 1HD2 LEU A 8 -4.927 9.050 2.387 1.00 0.00 H ATOM 124 2HD2 LEU A 8 -4.535 7.619 1.403 1.00 0.00 H ATOM 125 3HD2 LEU A 8 -3.230 8.556 2.171 1.00 0.00 H ATOM 126 N GLU A 9 -1.069 11.203 -1.027 1.00 0.00 N ATOM 127 CA GLU A 9 -0.474 12.484 -0.665 1.00 0.00 C ATOM 128 C GLU A 9 -0.443 13.434 -1.855 1.00 0.00 C ATOM 129 O GLU A 9 -0.643 14.639 -1.704 1.00 0.00 O ATOM 130 CB GLU A 9 0.944 12.279 -0.126 1.00 0.00 C ATOM 131 CG GLU A 9 1.005 11.685 1.274 1.00 0.00 C ATOM 132 CD GLU A 9 0.391 12.577 2.316 1.00 0.00 C ATOM 133 OE1 GLU A 9 0.572 13.768 2.232 1.00 0.00 O ATOM 134 OE2 GLU A 9 -0.261 12.067 3.196 1.00 0.00 O ATOM 135 H GLU A 9 -0.501 10.368 -0.990 1.00 0.00 H ATOM 136 HA GLU A 9 -1.075 12.933 0.126 1.00 0.00 H ATOM 137 1HB GLU A 9 1.496 11.618 -0.795 1.00 0.00 H ATOM 138 2HB GLU A 9 1.467 13.235 -0.107 1.00 0.00 H ATOM 139 1HG GLU A 9 0.481 10.730 1.275 1.00 0.00 H ATOM 140 2HG GLU A 9 2.047 11.497 1.532 1.00 0.00 H ATOM 141 N LYS A 10 -0.191 12.884 -3.038 1.00 0.00 N ATOM 142 CA LYS A 10 -0.241 13.662 -4.270 1.00 0.00 C ATOM 143 C LYS A 10 -1.630 14.244 -4.498 1.00 0.00 C ATOM 144 O LYS A 10 -1.772 15.403 -4.886 1.00 0.00 O ATOM 145 CB LYS A 10 0.170 12.800 -5.465 1.00 0.00 C ATOM 146 CG LYS A 10 1.650 12.443 -5.503 1.00 0.00 C ATOM 147 CD LYS A 10 1.975 11.559 -6.698 1.00 0.00 C ATOM 148 CE LYS A 10 3.425 11.098 -6.669 1.00 0.00 C ATOM 149 NZ LYS A 10 3.743 10.191 -7.804 1.00 0.00 N ATOM 150 H LYS A 10 0.042 11.902 -3.085 1.00 0.00 H ATOM 151 HA LYS A 10 0.473 14.482 -4.191 1.00 0.00 H ATOM 152 1HB LYS A 10 -0.398 11.869 -5.455 1.00 0.00 H ATOM 153 2HB LYS A 10 -0.072 13.321 -6.391 1.00 0.00 H ATOM 154 1HG LYS A 10 2.243 13.357 -5.566 1.00 0.00 H ATOM 155 2HG LYS A 10 1.922 11.917 -4.588 1.00 0.00 H ATOM 156 1HD LYS A 10 1.324 10.684 -6.691 1.00 0.00 H ATOM 157 2HD LYS A 10 1.799 12.114 -7.620 1.00 0.00 H ATOM 158 1HE LYS A 10 4.083 11.965 -6.717 1.00 0.00 H ATOM 159 2HE LYS A 10 3.621 10.572 -5.735 1.00 0.00 H ATOM 160 1HZ LYS A 10 4.711 9.908 -7.749 1.00 0.00 H ATOM 161 2HZ LYS A 10 3.151 9.373 -7.759 1.00 0.00 H ATOM 162 3HZ LYS A 10 3.584 10.674 -8.677 1.00 0.00 H ATOM 163 N LEU A 11 -2.654 13.432 -4.254 1.00 0.00 N ATOM 164 CA LEU A 11 -4.035 13.880 -4.385 1.00 0.00 C ATOM 165 C LEU A 11 -4.339 15.018 -3.420 1.00 0.00 C ATOM 166 O LEU A 11 -5.021 15.980 -3.774 1.00 0.00 O ATOM 167 CB LEU A 11 -4.997 12.713 -4.130 1.00 0.00 C ATOM 168 CG LEU A 11 -4.992 11.602 -5.188 1.00 0.00 C ATOM 169 CD1 LEU A 11 -5.754 10.394 -4.660 1.00 0.00 C ATOM 170 CD2 LEU A 11 -5.615 12.123 -6.474 1.00 0.00 C ATOM 171 H LEU A 11 -2.470 12.480 -3.971 1.00 0.00 H ATOM 172 HA LEU A 11 -4.188 14.236 -5.405 1.00 0.00 H ATOM 173 1HB LEU A 11 -4.746 12.259 -3.172 1.00 0.00 H ATOM 174 2HB LEU A 11 -6.012 13.106 -4.067 1.00 0.00 H ATOM 175 HG LEU A 11 -3.965 11.290 -5.382 1.00 0.00 H ATOM 176 1HD1 LEU A 11 -5.750 9.605 -5.412 1.00 0.00 H ATOM 177 2HD1 LEU A 11 -5.275 10.030 -3.751 1.00 0.00 H ATOM 178 3HD1 LEU A 11 -6.782 10.680 -4.440 1.00 0.00 H ATOM 179 1HD2 LEU A 11 -5.611 11.334 -7.226 1.00 0.00 H ATOM 180 2HD2 LEU A 11 -6.642 12.434 -6.280 1.00 0.00 H ATOM 181 3HD2 LEU A 11 -5.041 12.975 -6.838 1.00 0.00 H ATOM 182 N ARG A 12 -3.829 14.902 -2.198 1.00 0.00 N ATOM 183 CA ARG A 12 -3.960 15.966 -1.210 1.00 0.00 C ATOM 184 C ARG A 12 -3.266 17.240 -1.677 1.00 0.00 C ATOM 185 O ARG A 12 -3.818 18.335 -1.567 1.00 0.00 O ATOM 186 CB ARG A 12 -3.372 15.533 0.125 1.00 0.00 C ATOM 187 CG ARG A 12 -3.534 16.539 1.253 1.00 0.00 C ATOM 188 CD ARG A 12 -3.006 16.014 2.538 1.00 0.00 C ATOM 189 NE ARG A 12 -1.563 15.841 2.501 1.00 0.00 N ATOM 190 CZ ARG A 12 -0.668 16.838 2.646 1.00 0.00 C ATOM 191 NH1 ARG A 12 -1.084 18.071 2.837 1.00 0.00 N ATOM 192 NH2 ARG A 12 0.626 16.577 2.596 1.00 0.00 N ATOM 193 H ARG A 12 -3.339 14.056 -1.947 1.00 0.00 H ATOM 194 HA ARG A 12 -5.020 16.178 -1.067 1.00 0.00 H ATOM 195 1HB ARG A 12 -3.840 14.603 0.443 1.00 0.00 H ATOM 196 2HB ARG A 12 -2.306 15.339 0.007 1.00 0.00 H ATOM 197 1HG ARG A 12 -2.992 17.452 1.006 1.00 0.00 H ATOM 198 2HG ARG A 12 -4.592 16.770 1.385 1.00 0.00 H ATOM 199 1HD ARG A 12 -3.245 16.711 3.341 1.00 0.00 H ATOM 200 2HD ARG A 12 -3.460 15.047 2.749 1.00 0.00 H ATOM 201 HE ARG A 12 -1.205 14.906 2.355 1.00 0.00 H ATOM 202 1HH1 ARG A 12 -2.073 18.270 2.875 1.00 0.00 H ATOM 203 2HH1 ARG A 12 -0.413 18.818 2.946 1.00 0.00 H ATOM 204 1HH2 ARG A 12 0.945 15.629 2.450 1.00 0.00 H ATOM 205 2HH2 ARG A 12 1.296 17.324 2.705 1.00 0.00 H ATOM 206 N LYS A 13 -2.053 17.090 -2.198 1.00 0.00 N ATOM 207 CA LYS A 13 -1.282 18.228 -2.683 1.00 0.00 C ATOM 208 C LYS A 13 -1.956 18.879 -3.884 1.00 0.00 C ATOM 209 O LYS A 13 -1.816 20.080 -4.112 1.00 0.00 O ATOM 210 CB LYS A 13 0.139 17.795 -3.048 1.00 0.00 C ATOM 211 CG LYS A 13 1.016 17.445 -1.854 1.00 0.00 C ATOM 212 CD LYS A 13 2.395 16.980 -2.299 1.00 0.00 C ATOM 213 CE LYS A 13 3.270 16.621 -1.107 1.00 0.00 C ATOM 214 NZ LYS A 13 4.618 16.151 -1.527 1.00 0.00 N ATOM 215 H LYS A 13 -1.655 16.164 -2.260 1.00 0.00 H ATOM 216 HA LYS A 13 -1.210 18.964 -1.882 1.00 0.00 H ATOM 217 1HB LYS A 13 0.097 16.923 -3.701 1.00 0.00 H ATOM 218 2HB LYS A 13 0.632 18.595 -3.602 1.00 0.00 H ATOM 219 1HG LYS A 13 1.126 18.320 -1.213 1.00 0.00 H ATOM 220 2HG LYS A 13 0.544 16.651 -1.276 1.00 0.00 H ATOM 221 1HD LYS A 13 2.295 16.105 -2.942 1.00 0.00 H ATOM 222 2HD LYS A 13 2.880 17.774 -2.867 1.00 0.00 H ATOM 223 1HE LYS A 13 3.386 17.493 -0.465 1.00 0.00 H ATOM 224 2HE LYS A 13 2.789 15.833 -0.527 1.00 0.00 H ATOM 225 1HZ LYS A 13 5.166 15.923 -0.710 1.00 0.00 H ATOM 226 2HZ LYS A 13 4.523 15.330 -2.108 1.00 0.00 H ATOM 227 3HZ LYS A 13 5.081 16.881 -2.049 1.00 0.00 H ATOM 228 N ASN A 14 -2.689 18.078 -4.651 1.00 0.00 N ATOM 229 CA ASN A 14 -3.376 18.572 -5.838 1.00 0.00 C ATOM 230 C ASN A 14 -4.757 19.111 -5.491 1.00 0.00 C ATOM 231 O ASN A 14 -5.502 19.548 -6.368 1.00 0.00 O ATOM 232 CB ASN A 14 -3.477 17.481 -6.889 1.00 0.00 C ATOM 233 CG ASN A 14 -2.148 17.150 -7.508 1.00 0.00 C ATOM 234 OD1 ASN A 14 -1.270 18.013 -7.622 1.00 0.00 O ATOM 235 ND2 ASN A 14 -1.982 15.915 -7.909 1.00 0.00 N ATOM 236 H ASN A 14 -2.772 17.102 -4.405 1.00 0.00 H ATOM 237 HA ASN A 14 -2.794 19.392 -6.259 1.00 0.00 H ATOM 238 1HB ASN A 14 -3.890 16.578 -6.438 1.00 0.00 H ATOM 239 2HB ASN A 14 -4.163 17.797 -7.676 1.00 0.00 H ATOM 240 1HD2 ASN A 14 -1.117 15.637 -8.329 1.00 0.00 H ATOM 241 2HD2 ASN A 14 -2.720 15.250 -7.797 1.00 0.00 H ATOM 242 N ASN A 15 -5.094 19.078 -4.206 1.00 0.00 N ATOM 243 CA ASN A 15 -6.369 19.604 -3.734 1.00 0.00 C ATOM 244 C ASN A 15 -7.539 18.905 -4.415 1.00 0.00 C ATOM 245 O ASN A 15 -8.537 19.538 -4.760 1.00 0.00 O ATOM 246 CB ASN A 15 -6.443 21.104 -3.954 1.00 0.00 C ATOM 247 CG ASN A 15 -5.404 21.855 -3.167 1.00 0.00 C ATOM 248 OD1 ASN A 15 -5.163 21.557 -1.991 1.00 0.00 O ATOM 249 ND2 ASN A 15 -4.785 22.823 -3.792 1.00 0.00 N ATOM 250 H ASN A 15 -4.450 18.678 -3.539 1.00 0.00 H ATOM 251 HA ASN A 15 -6.452 19.405 -2.665 1.00 0.00 H ATOM 252 1HB ASN A 15 -6.307 21.324 -5.014 1.00 0.00 H ATOM 253 2HB ASN A 15 -7.430 21.466 -3.668 1.00 0.00 H ATOM 254 1HD2 ASN A 15 -4.084 23.357 -3.318 1.00 0.00 H ATOM 255 2HD2 ASN A 15 -5.012 23.030 -4.743 1.00 0.00 H ATOM 256 N ALA A 16 -7.410 17.597 -4.606 1.00 0.00 N ATOM 257 CA ALA A 16 -8.479 16.799 -5.195 1.00 0.00 C ATOM 258 C ALA A 16 -9.640 16.630 -4.223 1.00 0.00 C ATOM 259 O ALA A 16 -9.442 16.573 -3.009 1.00 0.00 O ATOM 260 CB ALA A 16 -7.949 15.440 -5.628 1.00 0.00 C ATOM 261 H ALA A 16 -6.549 17.143 -4.335 1.00 0.00 H ATOM 262 HA ALA A 16 -8.841 17.311 -6.087 1.00 0.00 H ATOM 263 1HB ALA A 16 -8.758 14.856 -6.066 1.00 0.00 H ATOM 264 2HB ALA A 16 -7.158 15.576 -6.366 1.00 0.00 H ATOM 265 3HB ALA A 16 -7.549 14.913 -4.762 1.00 0.00 H ATOM 266 N SER A 17 -10.850 16.549 -4.764 1.00 0.00 N ATOM 267 CA SER A 17 -12.041 16.337 -3.950 1.00 0.00 C ATOM 268 C SER A 17 -12.103 14.909 -3.425 1.00 0.00 C ATOM 269 O SER A 17 -11.443 14.014 -3.954 1.00 0.00 O ATOM 270 CB SER A 17 -13.287 16.643 -4.757 1.00 0.00 C ATOM 271 OG SER A 17 -13.495 15.673 -5.747 1.00 0.00 O ATOM 272 H SER A 17 -10.949 16.637 -5.766 1.00 0.00 H ATOM 273 HA SER A 17 -12.001 17.015 -3.095 1.00 0.00 H ATOM 274 1HB SER A 17 -14.151 16.681 -4.094 1.00 0.00 H ATOM 275 2HB SER A 17 -13.188 17.624 -5.221 1.00 0.00 H ATOM 276 HG SER A 17 -13.417 16.131 -6.587 1.00 0.00 H ATOM 277 N LYS A 18 -12.900 14.701 -2.383 1.00 0.00 N ATOM 278 CA LYS A 18 -13.009 13.391 -1.751 1.00 0.00 C ATOM 279 C LYS A 18 -13.495 12.341 -2.742 1.00 0.00 C ATOM 280 O LYS A 18 -13.077 11.184 -2.690 1.00 0.00 O ATOM 281 CB LYS A 18 -13.950 13.453 -0.547 1.00 0.00 C ATOM 282 CG LYS A 18 -13.395 14.219 0.647 1.00 0.00 C ATOM 283 CD LYS A 18 -14.381 14.227 1.805 1.00 0.00 C ATOM 284 CE LYS A 18 -13.847 15.031 2.981 1.00 0.00 C ATOM 285 NZ LYS A 18 -14.800 15.044 4.125 1.00 0.00 N ATOM 286 H LYS A 18 -13.444 15.469 -2.018 1.00 0.00 H ATOM 287 HA LYS A 18 -12.023 13.099 -1.387 1.00 0.00 H ATOM 288 1HB LYS A 18 -14.887 13.927 -0.842 1.00 0.00 H ATOM 289 2HB LYS A 18 -14.185 12.442 -0.216 1.00 0.00 H ATOM 290 1HG LYS A 18 -12.464 13.754 0.976 1.00 0.00 H ATOM 291 2HG LYS A 18 -13.183 15.246 0.353 1.00 0.00 H ATOM 292 1HD LYS A 18 -15.325 14.663 1.476 1.00 0.00 H ATOM 293 2HD LYS A 18 -14.567 13.204 2.132 1.00 0.00 H ATOM 294 1HE LYS A 18 -12.903 14.604 3.315 1.00 0.00 H ATOM 295 2HE LYS A 18 -13.664 16.059 2.667 1.00 0.00 H ATOM 296 1HZ LYS A 18 -14.410 15.586 4.882 1.00 0.00 H ATOM 297 2HZ LYS A 18 -15.674 15.456 3.831 1.00 0.00 H ATOM 298 3HZ LYS A 18 -14.962 14.098 4.438 1.00 0.00 H ATOM 299 N GLU A 19 -14.380 12.751 -3.644 1.00 0.00 N ATOM 300 CA GLU A 19 -14.899 11.854 -4.671 1.00 0.00 C ATOM 301 C GLU A 19 -13.826 11.510 -5.695 1.00 0.00 C ATOM 302 O GLU A 19 -13.720 10.366 -6.138 1.00 0.00 O ATOM 303 CB GLU A 19 -16.103 12.487 -5.372 1.00 0.00 C ATOM 304 CG GLU A 19 -17.344 12.613 -4.499 1.00 0.00 C ATOM 305 CD GLU A 19 -17.860 11.285 -4.021 1.00 0.00 C ATOM 306 OE1 GLU A 19 -17.950 10.382 -4.818 1.00 0.00 O ATOM 307 OE2 GLU A 19 -18.166 11.173 -2.857 1.00 0.00 O ATOM 308 H GLU A 19 -14.701 13.708 -3.619 1.00 0.00 H ATOM 309 HA GLU A 19 -15.231 10.934 -4.190 1.00 0.00 H ATOM 310 1HB GLU A 19 -15.837 13.484 -5.722 1.00 0.00 H ATOM 311 2HB GLU A 19 -16.368 11.892 -6.246 1.00 0.00 H ATOM 312 1HG GLU A 19 -17.105 13.230 -3.633 1.00 0.00 H ATOM 313 2HG GLU A 19 -18.124 13.118 -5.066 1.00 0.00 H ATOM 314 N GLU A 20 -13.030 12.506 -6.069 1.00 0.00 N ATOM 315 CA GLU A 20 -11.903 12.291 -6.968 1.00 0.00 C ATOM 316 C GLU A 20 -10.844 11.408 -6.321 1.00 0.00 C ATOM 317 O GLU A 20 -10.256 10.546 -6.976 1.00 0.00 O ATOM 318 CB GLU A 20 -11.284 13.629 -7.379 1.00 0.00 C ATOM 319 CG GLU A 20 -12.138 14.449 -8.335 1.00 0.00 C ATOM 320 CD GLU A 20 -11.588 15.828 -8.574 1.00 0.00 C ATOM 321 OE1 GLU A 20 -11.023 16.388 -7.666 1.00 0.00 O ATOM 322 OE2 GLU A 20 -11.732 16.322 -9.668 1.00 0.00 O ATOM 323 H GLU A 20 -13.211 13.437 -5.722 1.00 0.00 H ATOM 324 HA GLU A 20 -12.268 11.796 -7.869 1.00 0.00 H ATOM 325 1HB GLU A 20 -11.102 14.234 -6.490 1.00 0.00 H ATOM 326 2HB GLU A 20 -10.321 13.453 -7.857 1.00 0.00 H ATOM 327 1HG GLU A 20 -12.202 13.926 -9.288 1.00 0.00 H ATOM 328 2HG GLU A 20 -13.145 14.531 -7.928 1.00 0.00 H ATOM 329 N ILE A 21 -10.604 11.627 -5.033 1.00 0.00 N ATOM 330 CA ILE A 21 -9.636 10.831 -4.288 1.00 0.00 C ATOM 331 C ILE A 21 -10.061 9.370 -4.218 1.00 0.00 C ATOM 332 O ILE A 21 -9.268 8.469 -4.494 1.00 0.00 O ATOM 333 CB ILE A 21 -9.454 11.382 -2.861 1.00 0.00 C ATOM 334 CG1 ILE A 21 -8.758 12.745 -2.900 1.00 0.00 C ATOM 335 CG2 ILE A 21 -8.664 10.401 -2.009 1.00 0.00 C ATOM 336 CD1 ILE A 21 -8.808 13.494 -1.588 1.00 0.00 C ATOM 337 H ILE A 21 -11.106 12.363 -4.558 1.00 0.00 H ATOM 338 HA ILE A 21 -8.673 10.892 -4.796 1.00 0.00 H ATOM 339 HB ILE A 21 -10.431 11.540 -2.405 1.00 0.00 H ATOM 340 1HG1 ILE A 21 -7.713 12.612 -3.178 1.00 0.00 H ATOM 341 2HG1 ILE A 21 -9.222 13.369 -3.665 1.00 0.00 H ATOM 342 1HG2 ILE A 21 -8.544 10.807 -1.005 1.00 0.00 H ATOM 343 2HG2 ILE A 21 -9.198 9.453 -1.956 1.00 0.00 H ATOM 344 3HG2 ILE A 21 -7.682 10.241 -2.455 1.00 0.00 H ATOM 345 1HD1 ILE A 21 -8.294 14.450 -1.695 1.00 0.00 H ATOM 346 2HD1 ILE A 21 -9.847 13.669 -1.308 1.00 0.00 H ATOM 347 3HD1 ILE A 21 -8.318 12.904 -0.814 1.00 0.00 H ATOM 348 N LYS A 22 -11.316 9.141 -3.848 1.00 0.00 N ATOM 349 CA LYS A 22 -11.849 7.788 -3.742 1.00 0.00 C ATOM 350 C LYS A 22 -11.743 7.049 -5.070 1.00 0.00 C ATOM 351 O LYS A 22 -11.372 5.875 -5.110 1.00 0.00 O ATOM 352 CB LYS A 22 -13.304 7.820 -3.273 1.00 0.00 C ATOM 353 CG LYS A 22 -13.481 8.132 -1.792 1.00 0.00 C ATOM 354 CD LYS A 22 -14.926 7.941 -1.356 1.00 0.00 C ATOM 355 CE LYS A 22 -15.836 8.991 -1.977 1.00 0.00 C ATOM 356 NZ LYS A 22 -17.251 8.825 -1.547 1.00 0.00 N ATOM 357 H LYS A 22 -11.917 9.924 -3.634 1.00 0.00 H ATOM 358 HA LYS A 22 -11.270 7.246 -2.993 1.00 0.00 H ATOM 359 1HB LYS A 22 -13.853 8.572 -3.841 1.00 0.00 H ATOM 360 2HB LYS A 22 -13.771 6.855 -3.469 1.00 0.00 H ATOM 361 1HG LYS A 22 -12.842 7.473 -1.203 1.00 0.00 H ATOM 362 2HG LYS A 22 -13.186 9.163 -1.600 1.00 0.00 H ATOM 363 1HD LYS A 22 -15.269 6.950 -1.658 1.00 0.00 H ATOM 364 2HD LYS A 22 -14.991 8.013 -0.271 1.00 0.00 H ATOM 365 1HE LYS A 22 -15.495 9.984 -1.687 1.00 0.00 H ATOM 366 2HE LYS A 22 -15.789 8.917 -3.063 1.00 0.00 H ATOM 367 1HZ LYS A 22 -17.820 9.538 -1.979 1.00 0.00 H ATOM 368 2HZ LYS A 22 -17.584 7.913 -1.827 1.00 0.00 H ATOM 369 3HZ LYS A 22 -17.310 8.910 -0.542 1.00 0.00 H ATOM 370 N GLU A 23 -12.070 7.742 -6.155 1.00 0.00 N ATOM 371 CA GLU A 23 -11.983 7.163 -7.490 1.00 0.00 C ATOM 372 C GLU A 23 -10.583 6.631 -7.769 1.00 0.00 C ATOM 373 O GLU A 23 -10.414 5.474 -8.153 1.00 0.00 O ATOM 374 CB GLU A 23 -12.366 8.200 -8.548 1.00 0.00 C ATOM 375 CG GLU A 23 -12.305 7.689 -9.980 1.00 0.00 C ATOM 376 CD GLU A 23 -12.687 8.734 -10.991 1.00 0.00 C ATOM 377 OE1 GLU A 23 -13.070 9.807 -10.592 1.00 0.00 O ATOM 378 OE2 GLU A 23 -12.595 8.459 -12.164 1.00 0.00 O ATOM 379 H GLU A 23 -12.388 8.696 -6.052 1.00 0.00 H ATOM 380 HA GLU A 23 -12.691 6.335 -7.555 1.00 0.00 H ATOM 381 1HB GLU A 23 -13.380 8.553 -8.361 1.00 0.00 H ATOM 382 2HB GLU A 23 -11.701 9.060 -8.471 1.00 0.00 H ATOM 383 1HG GLU A 23 -11.291 7.350 -10.191 1.00 0.00 H ATOM 384 2HG GLU A 23 -12.972 6.834 -10.079 1.00 0.00 H ATOM 385 N VAL A 24 -9.582 7.483 -7.574 1.00 0.00 N ATOM 386 CA VAL A 24 -8.197 7.111 -7.838 1.00 0.00 C ATOM 387 C VAL A 24 -7.760 5.952 -6.951 1.00 0.00 C ATOM 388 O VAL A 24 -7.099 5.021 -7.411 1.00 0.00 O ATOM 389 CB VAL A 24 -7.267 8.315 -7.601 1.00 0.00 C ATOM 390 CG1 VAL A 24 -5.809 7.881 -7.657 1.00 0.00 C ATOM 391 CG2 VAL A 24 -7.547 9.397 -8.633 1.00 0.00 C ATOM 392 H VAL A 24 -9.786 8.412 -7.234 1.00 0.00 H ATOM 393 HA VAL A 24 -8.114 6.804 -8.881 1.00 0.00 H ATOM 394 HB VAL A 24 -7.446 8.710 -6.601 1.00 0.00 H ATOM 395 1HG1 VAL A 24 -5.166 8.744 -7.488 1.00 0.00 H ATOM 396 2HG1 VAL A 24 -5.623 7.133 -6.887 1.00 0.00 H ATOM 397 3HG1 VAL A 24 -5.594 7.456 -8.638 1.00 0.00 H ATOM 398 1HG2 VAL A 24 -6.886 10.245 -8.459 1.00 0.00 H ATOM 399 2HG2 VAL A 24 -7.374 9.000 -9.633 1.00 0.00 H ATOM 400 3HG2 VAL A 24 -8.584 9.722 -8.546 1.00 0.00 H ATOM 401 N LEU A 25 -8.131 6.016 -5.677 1.00 0.00 N ATOM 402 CA LEU A 25 -7.773 4.974 -4.722 1.00 0.00 C ATOM 403 C LEU A 25 -8.375 3.632 -5.119 1.00 0.00 C ATOM 404 O LEU A 25 -7.728 2.591 -5.002 1.00 0.00 O ATOM 405 CB LEU A 25 -8.249 5.358 -3.315 1.00 0.00 C ATOM 406 CG LEU A 25 -7.510 6.533 -2.661 1.00 0.00 C ATOM 407 CD1 LEU A 25 -8.235 6.943 -1.387 1.00 0.00 C ATOM 408 CD2 LEU A 25 -6.073 6.129 -2.367 1.00 0.00 C ATOM 409 H LEU A 25 -8.676 6.806 -5.362 1.00 0.00 H ATOM 410 HA LEU A 25 -6.687 4.878 -4.705 1.00 0.00 H ATOM 411 1HB LEU A 25 -9.305 5.617 -3.364 1.00 0.00 H ATOM 412 2HB LEU A 25 -8.138 4.493 -2.662 1.00 0.00 H ATOM 413 HG LEU A 25 -7.516 7.388 -3.338 1.00 0.00 H ATOM 414 1HD1 LEU A 25 -7.711 7.778 -0.922 1.00 0.00 H ATOM 415 2HD1 LEU A 25 -9.254 7.246 -1.629 1.00 0.00 H ATOM 416 3HD1 LEU A 25 -8.261 6.102 -0.696 1.00 0.00 H ATOM 417 1HD2 LEU A 25 -5.548 6.965 -1.903 1.00 0.00 H ATOM 418 2HD2 LEU A 25 -6.067 5.275 -1.690 1.00 0.00 H ATOM 419 3HD2 LEU A 25 -5.574 5.858 -3.297 1.00 0.00 H ATOM 420 N LYS A 26 -9.618 3.663 -5.589 1.00 0.00 N ATOM 421 CA LYS A 26 -10.294 2.454 -6.046 1.00 0.00 C ATOM 422 C LYS A 26 -9.636 1.896 -7.301 1.00 0.00 C ATOM 423 O LYS A 26 -9.625 0.685 -7.522 1.00 0.00 O ATOM 424 CB LYS A 26 -11.774 2.736 -6.309 1.00 0.00 C ATOM 425 CG LYS A 26 -12.604 2.960 -5.053 1.00 0.00 C ATOM 426 CD LYS A 26 -13.983 3.508 -5.392 1.00 0.00 C ATOM 427 CE LYS A 26 -14.877 2.430 -5.985 1.00 0.00 C ATOM 428 NZ LYS A 26 -16.284 2.892 -6.133 1.00 0.00 N ATOM 429 H LYS A 26 -10.106 4.546 -5.632 1.00 0.00 H ATOM 430 HA LYS A 26 -10.233 1.704 -5.257 1.00 0.00 H ATOM 431 1HB LYS A 26 -11.870 3.622 -6.937 1.00 0.00 H ATOM 432 2HB LYS A 26 -12.212 1.900 -6.855 1.00 0.00 H ATOM 433 1HG LYS A 26 -12.719 2.017 -4.518 1.00 0.00 H ATOM 434 2HG LYS A 26 -12.093 3.667 -4.400 1.00 0.00 H ATOM 435 1HD LYS A 26 -14.451 3.901 -4.488 1.00 0.00 H ATOM 436 2HD LYS A 26 -13.884 4.321 -6.111 1.00 0.00 H ATOM 437 1HE LYS A 26 -14.498 2.140 -6.964 1.00 0.00 H ATOM 438 2HE LYS A 26 -14.864 1.551 -5.340 1.00 0.00 H ATOM 439 1HZ LYS A 26 -16.843 2.150 -6.528 1.00 0.00 H ATOM 440 2HZ LYS A 26 -16.653 3.146 -5.227 1.00 0.00 H ATOM 441 3HZ LYS A 26 -16.312 3.696 -6.744 1.00 0.00 H ATOM 442 N ARG A 27 -9.088 2.786 -8.122 1.00 0.00 N ATOM 443 CA ARG A 27 -8.283 2.378 -9.267 1.00 0.00 C ATOM 444 C ARG A 27 -6.965 1.758 -8.821 1.00 0.00 C ATOM 445 O ARG A 27 -6.461 0.828 -9.452 1.00 0.00 O ATOM 446 CB ARG A 27 -7.999 3.567 -10.173 1.00 0.00 C ATOM 447 CG ARG A 27 -9.211 4.112 -10.912 1.00 0.00 C ATOM 448 CD ARG A 27 -8.860 5.284 -11.754 1.00 0.00 C ATOM 449 NE ARG A 27 -10.042 5.934 -12.298 1.00 0.00 N ATOM 450 CZ ARG A 27 -10.694 5.532 -13.406 1.00 0.00 C ATOM 451 NH1 ARG A 27 -10.268 4.484 -14.076 1.00 0.00 N ATOM 452 NH2 ARG A 27 -11.761 6.192 -13.821 1.00 0.00 N ATOM 453 H ARG A 27 -9.232 3.770 -7.948 1.00 0.00 H ATOM 454 HA ARG A 27 -8.843 1.636 -9.838 1.00 0.00 H ATOM 455 1HB ARG A 27 -7.580 4.381 -9.583 1.00 0.00 H ATOM 456 2HB ARG A 27 -7.256 3.287 -10.919 1.00 0.00 H ATOM 457 1HG ARG A 27 -9.621 3.336 -11.559 1.00 0.00 H ATOM 458 2HG ARG A 27 -9.969 4.421 -10.191 1.00 0.00 H ATOM 459 1HD ARG A 27 -8.317 6.013 -11.153 1.00 0.00 H ATOM 460 2HD ARG A 27 -8.235 4.961 -12.585 1.00 0.00 H ATOM 461 HE ARG A 27 -10.399 6.745 -11.810 1.00 0.00 H ATOM 462 1HH1 ARG A 27 -9.452 3.980 -13.759 1.00 0.00 H ATOM 463 2HH1 ARG A 27 -10.756 4.183 -14.907 1.00 0.00 H ATOM 464 1HH2 ARG A 27 -12.089 6.998 -13.306 1.00 0.00 H ATOM 465 2HH2 ARG A 27 -12.249 5.891 -14.651 1.00 0.00 H ATOM 466 N LEU A 28 -6.411 2.277 -7.731 1.00 0.00 N ATOM 467 CA LEU A 28 -5.189 1.727 -7.156 1.00 0.00 C ATOM 468 C LEU A 28 -5.441 0.362 -6.530 1.00 0.00 C ATOM 469 O LEU A 28 -4.547 -0.483 -6.478 1.00 0.00 O ATOM 470 CB LEU A 28 -4.623 2.684 -6.100 1.00 0.00 C ATOM 471 CG LEU A 28 -4.055 4.005 -6.635 1.00 0.00 C ATOM 472 CD1 LEU A 28 -3.692 4.913 -5.468 1.00 0.00 C ATOM 473 CD2 LEU A 28 -2.838 3.719 -7.504 1.00 0.00 C ATOM 474 H LEU A 28 -6.848 3.073 -7.289 1.00 0.00 H ATOM 475 HA LEU A 28 -4.458 1.601 -7.954 1.00 0.00 H ATOM 476 1HB LEU A 28 -5.414 2.927 -5.392 1.00 0.00 H ATOM 477 2HB LEU A 28 -3.825 2.174 -5.561 1.00 0.00 H ATOM 478 HG LEU A 28 -4.814 4.513 -7.230 1.00 0.00 H ATOM 479 1HD1 LEU A 28 -3.288 5.851 -5.848 1.00 0.00 H ATOM 480 2HD1 LEU A 28 -4.584 5.116 -4.875 1.00 0.00 H ATOM 481 3HD1 LEU A 28 -2.945 4.423 -4.844 1.00 0.00 H ATOM 482 1HD2 LEU A 28 -2.435 4.657 -7.885 1.00 0.00 H ATOM 483 2HD2 LEU A 28 -2.078 3.212 -6.910 1.00 0.00 H ATOM 484 3HD2 LEU A 28 -3.130 3.083 -8.340 1.00 0.00 H ATOM 485 N GLY A 29 -6.664 0.151 -6.054 1.00 0.00 N ATOM 486 CA GLY A 29 -7.086 -1.162 -5.581 1.00 0.00 C ATOM 487 C GLY A 29 -7.546 -1.103 -4.130 1.00 0.00 C ATOM 488 O GLY A 29 -7.314 -2.032 -3.357 1.00 0.00 O ATOM 489 H GLY A 29 -7.318 0.920 -6.020 1.00 0.00 H ATOM 490 1HA GLY A 29 -7.897 -1.531 -6.209 1.00 0.00 H ATOM 491 2HA GLY A 29 -6.260 -1.866 -5.676 1.00 0.00 H ATOM 492 N PHE A 30 -8.199 -0.005 -3.766 1.00 0.00 N ATOM 493 CA PHE A 30 -8.843 0.108 -2.462 1.00 0.00 C ATOM 494 C PHE A 30 -10.353 -0.057 -2.577 1.00 0.00 C ATOM 495 O PHE A 30 -10.945 0.266 -3.607 1.00 0.00 O ATOM 496 CB PHE A 30 -8.519 1.458 -1.821 1.00 0.00 C ATOM 497 CG PHE A 30 -7.088 1.595 -1.386 1.00 0.00 C ATOM 498 CD1 PHE A 30 -6.184 2.323 -2.146 1.00 0.00 C ATOM 499 CD2 PHE A 30 -6.642 0.996 -0.218 1.00 0.00 C ATOM 500 CE1 PHE A 30 -4.867 2.450 -1.746 1.00 0.00 C ATOM 501 CE2 PHE A 30 -5.327 1.122 0.184 1.00 0.00 C ATOM 502 CZ PHE A 30 -4.438 1.850 -0.582 1.00 0.00 C ATOM 503 H PHE A 30 -8.252 0.773 -4.409 1.00 0.00 H ATOM 504 HA PHE A 30 -8.460 -0.685 -1.818 1.00 0.00 H ATOM 505 1HB PHE A 30 -8.738 2.258 -2.528 1.00 0.00 H ATOM 506 2HB PHE A 30 -9.155 1.609 -0.950 1.00 0.00 H ATOM 507 HD1 PHE A 30 -6.523 2.799 -3.066 1.00 0.00 H ATOM 508 HD2 PHE A 30 -7.344 0.421 0.387 1.00 0.00 H ATOM 509 HE1 PHE A 30 -4.167 3.025 -2.353 1.00 0.00 H ATOM 510 HE2 PHE A 30 -4.989 0.647 1.105 1.00 0.00 H ATOM 511 HZ PHE A 30 -3.400 1.948 -0.267 1.00 0.00 H ATOM 512 N SER A 31 -10.970 -0.561 -1.514 1.00 0.00 N ATOM 513 CA SER A 31 -12.422 -0.690 -1.461 1.00 0.00 C ATOM 514 C SER A 31 -13.086 0.660 -1.227 1.00 0.00 C ATOM 515 O SER A 31 -12.412 1.660 -0.983 1.00 0.00 O ATOM 516 CB SER A 31 -12.820 -1.657 -0.363 1.00 0.00 C ATOM 517 OG SER A 31 -12.601 -1.097 0.903 1.00 0.00 O ATOM 518 H SER A 31 -10.420 -0.863 -0.723 1.00 0.00 H ATOM 519 HA SER A 31 -12.769 -1.082 -2.418 1.00 0.00 H ATOM 520 1HB SER A 31 -13.872 -1.918 -0.472 1.00 0.00 H ATOM 521 2HB SER A 31 -12.244 -2.576 -0.461 1.00 0.00 H ATOM 522 HG SER A 31 -12.019 -1.705 1.364 1.00 0.00 H ATOM 523 N GLU A 32 -14.413 0.682 -1.304 1.00 0.00 N ATOM 524 CA GLU A 32 -15.173 1.906 -1.083 1.00 0.00 C ATOM 525 C GLU A 32 -14.950 2.446 0.324 1.00 0.00 C ATOM 526 O GLU A 32 -14.797 3.651 0.520 1.00 0.00 O ATOM 527 CB GLU A 32 -16.665 1.657 -1.314 1.00 0.00 C ATOM 528 CG GLU A 32 -17.532 2.904 -1.220 1.00 0.00 C ATOM 529 CD GLU A 32 -17.301 3.865 -2.353 1.00 0.00 C ATOM 530 OE1 GLU A 32 -16.915 3.426 -3.410 1.00 0.00 O ATOM 531 OE2 GLU A 32 -17.509 5.040 -2.162 1.00 0.00 O ATOM 532 H GLU A 32 -14.907 -0.172 -1.522 1.00 0.00 H ATOM 533 HA GLU A 32 -14.839 2.656 -1.801 1.00 0.00 H ATOM 534 1HB GLU A 32 -16.812 1.221 -2.302 1.00 0.00 H ATOM 535 2HB GLU A 32 -17.032 0.939 -0.581 1.00 0.00 H ATOM 536 1HG GLU A 32 -18.580 2.606 -1.221 1.00 0.00 H ATOM 537 2HG GLU A 32 -17.327 3.407 -0.276 1.00 0.00 H ATOM 538 N ASP A 33 -14.934 1.546 1.302 1.00 0.00 N ATOM 539 CA ASP A 33 -14.728 1.929 2.693 1.00 0.00 C ATOM 540 C ASP A 33 -13.291 2.374 2.935 1.00 0.00 C ATOM 541 O ASP A 33 -13.045 3.372 3.612 1.00 0.00 O ATOM 542 CB ASP A 33 -15.073 0.767 3.627 1.00 0.00 C ATOM 543 CG ASP A 33 -16.566 0.475 3.683 1.00 0.00 C ATOM 544 OD1 ASP A 33 -17.331 1.311 3.264 1.00 0.00 O ATOM 545 OD2 ASP A 33 -16.928 -0.581 4.144 1.00 0.00 O ATOM 546 H ASP A 33 -15.067 0.571 1.075 1.00 0.00 H ATOM 547 HA ASP A 33 -15.394 2.761 2.925 1.00 0.00 H ATOM 548 1HB ASP A 33 -14.554 -0.133 3.296 1.00 0.00 H ATOM 549 2HB ASP A 33 -14.724 0.994 4.635 1.00 0.00 H ATOM 550 N GLU A 34 -12.344 1.626 2.378 1.00 0.00 N ATOM 551 CA GLU A 34 -10.930 1.960 2.505 1.00 0.00 C ATOM 552 C GLU A 34 -10.621 3.302 1.855 1.00 0.00 C ATOM 553 O GLU A 34 -9.929 4.139 2.434 1.00 0.00 O ATOM 554 CB GLU A 34 -10.065 0.866 1.876 1.00 0.00 C ATOM 555 CG GLU A 34 -10.021 -0.434 2.667 1.00 0.00 C ATOM 556 CD GLU A 34 -9.326 -1.544 1.930 1.00 0.00 C ATOM 557 OE1 GLU A 34 -9.320 -1.518 0.723 1.00 0.00 O ATOM 558 OE2 GLU A 34 -8.799 -2.420 2.576 1.00 0.00 O ATOM 559 H GLU A 34 -12.610 0.805 1.853 1.00 0.00 H ATOM 560 HA GLU A 34 -10.683 2.020 3.566 1.00 0.00 H ATOM 561 1HB GLU A 34 -10.437 0.637 0.877 1.00 0.00 H ATOM 562 2HB GLU A 34 -9.042 1.227 1.769 1.00 0.00 H ATOM 563 1HG GLU A 34 -9.502 -0.257 3.609 1.00 0.00 H ATOM 564 2HG GLU A 34 -11.041 -0.741 2.899 1.00 0.00 H ATOM 565 N ALA A 35 -11.138 3.502 0.647 1.00 0.00 N ATOM 566 CA ALA A 35 -10.924 4.747 -0.081 1.00 0.00 C ATOM 567 C ALA A 35 -11.543 5.928 0.654 1.00 0.00 C ATOM 568 O ALA A 35 -10.959 7.010 0.714 1.00 0.00 O ATOM 569 CB ALA A 35 -11.495 4.642 -1.488 1.00 0.00 C ATOM 570 H ALA A 35 -11.693 2.772 0.223 1.00 0.00 H ATOM 571 HA ALA A 35 -9.851 4.915 -0.172 1.00 0.00 H ATOM 572 1HB ALA A 35 -11.327 5.579 -2.020 1.00 0.00 H ATOM 573 2HB ALA A 35 -11.001 3.829 -2.022 1.00 0.00 H ATOM 574 3HB ALA A 35 -12.563 4.442 -1.433 1.00 0.00 H ATOM 575 N LYS A 36 -12.730 5.715 1.212 1.00 0.00 N ATOM 576 CA LYS A 36 -13.408 6.747 1.989 1.00 0.00 C ATOM 577 C LYS A 36 -12.558 7.194 3.171 1.00 0.00 C ATOM 578 O LYS A 36 -12.370 8.389 3.396 1.00 0.00 O ATOM 579 CB LYS A 36 -14.766 6.243 2.478 1.00 0.00 C ATOM 580 CG LYS A 36 -15.557 7.257 3.295 1.00 0.00 C ATOM 581 CD LYS A 36 -16.911 6.700 3.707 1.00 0.00 C ATOM 582 CE LYS A 36 -17.683 7.694 4.561 1.00 0.00 C ATOM 583 NZ LYS A 36 -19.011 7.163 4.971 1.00 0.00 N ATOM 584 H LYS A 36 -13.174 4.816 1.095 1.00 0.00 H ATOM 585 HA LYS A 36 -13.586 7.606 1.341 1.00 0.00 H ATOM 586 1HB LYS A 36 -15.377 5.953 1.623 1.00 0.00 H ATOM 587 2HB LYS A 36 -14.624 5.355 3.095 1.00 0.00 H ATOM 588 1HG LYS A 36 -14.994 7.521 4.191 1.00 0.00 H ATOM 589 2HG LYS A 36 -15.709 8.160 2.704 1.00 0.00 H ATOM 590 1HD LYS A 36 -17.496 6.468 2.816 1.00 0.00 H ATOM 591 2HD LYS A 36 -16.769 5.781 4.276 1.00 0.00 H ATOM 592 1HE LYS A 36 -17.108 7.929 5.455 1.00 0.00 H ATOM 593 2HE LYS A 36 -17.833 8.616 4.000 1.00 0.00 H ATOM 594 1HZ LYS A 36 -19.490 7.851 5.534 1.00 0.00 H ATOM 595 2HZ LYS A 36 -19.561 6.959 4.148 1.00 0.00 H ATOM 596 3HZ LYS A 36 -18.884 6.318 5.509 1.00 0.00 H ATOM 597 N LYS A 37 -12.045 6.226 3.924 1.00 0.00 N ATOM 598 CA LYS A 37 -11.225 6.519 5.093 1.00 0.00 C ATOM 599 C LYS A 37 -9.963 7.279 4.704 1.00 0.00 C ATOM 600 O LYS A 37 -9.553 8.213 5.393 1.00 0.00 O ATOM 601 CB LYS A 37 -10.856 5.228 5.826 1.00 0.00 C ATOM 602 CG LYS A 37 -12.019 4.561 6.549 1.00 0.00 C ATOM 603 CD LYS A 37 -11.584 3.265 7.216 1.00 0.00 C ATOM 604 CE LYS A 37 -12.748 2.590 7.926 1.00 0.00 C ATOM 605 NZ LYS A 37 -12.342 1.310 8.569 1.00 0.00 N ATOM 606 H LYS A 37 -12.229 5.264 3.681 1.00 0.00 H ATOM 607 HA LYS A 37 -11.807 7.135 5.779 1.00 0.00 H ATOM 608 1HB LYS A 37 -10.449 4.509 5.114 1.00 0.00 H ATOM 609 2HB LYS A 37 -10.079 5.436 6.562 1.00 0.00 H ATOM 610 1HG LYS A 37 -12.410 5.238 7.310 1.00 0.00 H ATOM 611 2HG LYS A 37 -12.814 4.345 5.837 1.00 0.00 H ATOM 612 1HD LYS A 37 -11.185 2.584 6.463 1.00 0.00 H ATOM 613 2HD LYS A 37 -10.800 3.475 7.944 1.00 0.00 H ATOM 614 1HE LYS A 37 -13.144 3.257 8.691 1.00 0.00 H ATOM 615 2HE LYS A 37 -13.543 2.384 7.209 1.00 0.00 H ATOM 616 1HZ LYS A 37 -13.140 0.895 9.028 1.00 0.00 H ATOM 617 2HZ LYS A 37 -11.990 0.676 7.865 1.00 0.00 H ATOM 618 3HZ LYS A 37 -11.619 1.491 9.251 1.00 0.00 H ATOM 619 N LEU A 38 -9.351 6.873 3.597 1.00 0.00 N ATOM 620 CA LEU A 38 -8.137 7.517 3.112 1.00 0.00 C ATOM 621 C LEU A 38 -8.427 8.917 2.588 1.00 0.00 C ATOM 622 O LEU A 38 -7.602 9.822 2.715 1.00 0.00 O ATOM 623 CB LEU A 38 -7.495 6.673 2.004 1.00 0.00 C ATOM 624 CG LEU A 38 -6.898 5.332 2.450 1.00 0.00 C ATOM 625 CD1 LEU A 38 -6.440 4.547 1.228 1.00 0.00 C ATOM 626 CD2 LEU A 38 -5.740 5.583 3.404 1.00 0.00 C ATOM 627 H LEU A 38 -9.738 6.097 3.077 1.00 0.00 H ATOM 628 HA LEU A 38 -7.431 7.593 3.940 1.00 0.00 H ATOM 629 1HB LEU A 38 -8.248 6.464 1.246 1.00 0.00 H ATOM 630 2HB LEU A 38 -6.696 7.253 1.543 1.00 0.00 H ATOM 631 HG LEU A 38 -7.664 4.743 2.956 1.00 0.00 H ATOM 632 1HD1 LEU A 38 -6.016 3.594 1.545 1.00 0.00 H ATOM 633 2HD1 LEU A 38 -7.292 4.365 0.573 1.00 0.00 H ATOM 634 3HD1 LEU A 38 -5.684 5.119 0.692 1.00 0.00 H ATOM 635 1HD2 LEU A 38 -5.317 4.630 3.722 1.00 0.00 H ATOM 636 2HD2 LEU A 38 -4.973 6.171 2.899 1.00 0.00 H ATOM 637 3HD2 LEU A 38 -6.100 6.130 4.277 1.00 0.00 H ATOM 638 N ALA A 39 -9.606 9.090 1.999 1.00 0.00 N ATOM 639 CA ALA A 39 -10.055 10.405 1.555 1.00 0.00 C ATOM 640 C ALA A 39 -10.225 11.355 2.733 1.00 0.00 C ATOM 641 O ALA A 39 -9.903 12.540 2.639 1.00 0.00 O ATOM 642 CB ALA A 39 -11.358 10.285 0.779 1.00 0.00 C ATOM 643 H ALA A 39 -10.206 8.291 1.856 1.00 0.00 H ATOM 644 HA ALA A 39 -9.304 10.816 0.879 1.00 0.00 H ATOM 645 1HB ALA A 39 -11.680 11.274 0.454 1.00 0.00 H ATOM 646 2HB ALA A 39 -11.205 9.649 -0.093 1.00 0.00 H ATOM 647 3HB ALA A 39 -12.123 9.846 1.418 1.00 0.00 H ATOM 648 N GLU A 40 -10.735 10.830 3.842 1.00 0.00 N ATOM 649 CA GLU A 40 -10.862 11.606 5.070 1.00 0.00 C ATOM 650 C GLU A 40 -9.496 11.925 5.663 1.00 0.00 C ATOM 651 O GLU A 40 -9.288 13.000 6.225 1.00 0.00 O ATOM 652 CB GLU A 40 -11.710 10.849 6.094 1.00 0.00 C ATOM 653 CG GLU A 40 -13.187 10.754 5.740 1.00 0.00 C ATOM 654 CD GLU A 40 -13.867 12.094 5.700 1.00 0.00 C ATOM 655 OE1 GLU A 40 -13.603 12.898 6.561 1.00 0.00 O ATOM 656 OE2 GLU A 40 -14.652 12.314 4.808 1.00 0.00 O ATOM 657 H GLU A 40 -11.042 9.868 3.834 1.00 0.00 H ATOM 658 HA GLU A 40 -11.369 12.543 4.836 1.00 0.00 H ATOM 659 1HB GLU A 40 -11.326 9.835 6.206 1.00 0.00 H ATOM 660 2HB GLU A 40 -11.630 11.338 7.065 1.00 0.00 H ATOM 661 1HG GLU A 40 -13.286 10.280 4.763 1.00 0.00 H ATOM 662 2HG GLU A 40 -13.685 10.120 6.472 1.00 0.00 H ATOM 663 N LYS A 41 -8.566 10.984 5.535 1.00 0.00 N ATOM 664 CA LYS A 41 -7.187 11.208 5.951 1.00 0.00 C ATOM 665 C LYS A 41 -6.559 12.362 5.179 1.00 0.00 C ATOM 666 O LYS A 41 -5.908 13.229 5.762 1.00 0.00 O ATOM 667 CB LYS A 41 -6.358 9.937 5.763 1.00 0.00 C ATOM 668 CG LYS A 41 -4.914 10.052 6.234 1.00 0.00 C ATOM 669 CD LYS A 41 -4.160 8.746 6.031 1.00 0.00 C ATOM 670 CE LYS A 41 -2.737 8.839 6.561 1.00 0.00 C ATOM 671 NZ LYS A 41 -1.973 7.584 6.325 1.00 0.00 N ATOM 672 H LYS A 41 -8.822 10.091 5.139 1.00 0.00 H ATOM 673 HA LYS A 41 -7.181 11.454 7.013 1.00 0.00 H ATOM 674 1HB LYS A 41 -6.823 9.115 6.308 1.00 0.00 H ATOM 675 2HB LYS A 41 -6.345 9.663 4.708 1.00 0.00 H ATOM 676 1HG LYS A 41 -4.411 10.842 5.675 1.00 0.00 H ATOM 677 2HG LYS A 41 -4.896 10.311 7.292 1.00 0.00 H ATOM 678 1HD LYS A 41 -4.681 7.941 6.551 1.00 0.00 H ATOM 679 2HD LYS A 41 -4.127 8.506 4.968 1.00 0.00 H ATOM 680 1HE LYS A 41 -2.220 9.662 6.070 1.00 0.00 H ATOM 681 2HE LYS A 41 -2.760 9.040 7.632 1.00 0.00 H ATOM 682 1HZ LYS A 41 -1.036 7.686 6.691 1.00 0.00 H ATOM 683 2HZ LYS A 41 -2.434 6.815 6.792 1.00 0.00 H ATOM 684 3HZ LYS A 41 -1.928 7.397 5.334 1.00 0.00 H ATOM 685 N ALA A 42 -6.758 12.366 3.866 1.00 0.00 N ATOM 686 CA ALA A 42 -6.261 13.444 3.019 1.00 0.00 C ATOM 687 C ALA A 42 -6.928 14.768 3.365 1.00 0.00 C ATOM 688 O ALA A 42 -6.272 15.809 3.422 1.00 0.00 O ATOM 689 CB ALA A 42 -6.481 13.108 1.551 1.00 0.00 C ATOM 690 H ALA A 42 -7.267 11.603 3.443 1.00 0.00 H ATOM 691 HA ALA A 42 -5.186 13.541 3.178 1.00 0.00 H ATOM 692 1HB ALA A 42 -6.105 13.923 0.931 1.00 0.00 H ATOM 693 2HB ALA A 42 -5.950 12.189 1.304 1.00 0.00 H ATOM 694 3HB ALA A 42 -7.545 12.973 1.364 1.00 0.00 H ATOM 695 N GLY A 43 -8.236 14.724 3.596 1.00 0.00 N ATOM 696 CA GLY A 43 -8.986 15.912 3.985 1.00 0.00 C ATOM 697 C GLY A 43 -10.001 16.298 2.917 1.00 0.00 C ATOM 698 O GLY A 43 -9.789 16.052 1.729 1.00 0.00 O ATOM 699 OXT GLY A 43 -11.021 16.848 3.228 1.00 0.00 O ATOM 700 H GLY A 43 -8.723 13.844 3.500 1.00 0.00 H ATOM 701 1HA GLY A 43 -9.499 15.726 4.929 1.00 0.00 H ATOM 702 2HA GLY A 43 -8.296 16.739 4.153 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE nods_bigger.blueprint.44_try133_pass_20150324034847_0001_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 rama omega fa_dun p_aa_pp ref total weights 0.8 0.44 0.75 0.004 0.7 1 1.17 1.17 1.17 1.1 1 0.2 0.5 0.56 0.32 1 NA pose -162.566 14.9657 97.7057 0.26888 -25.9378 0 -22.9015 -1.93429 -2.9526 -4.95816 0 -6.82751 2.82625 47.5512 -5.83051 -15.8269 -86.417 ASP:NtermProteinFull_1 -2.98085 0.22555 3.12549 0.02519 -0.84489 0 0 0 -0.26385 -0.16407 0 0 0.06317 1.39088 0 -1.28682 -0.7102 GLU_2 -3.13162 0.30275 2.52713 0.00744 -0.76883 0 0 0 0 -0.2095 0 -0.13134 0.09076 2.22986 -0.10621 -1.55374 -0.7433 ASP_3 -3.17036 0.36501 2.36346 0.00338 -0.26237 0 0 0 0 0 0 -0.04308 0.01116 1.31108 0.05697 -1.28682 -0.65157 SER_4 -3.95412 0.28973 3.04006 0.00169 -1.04771 0 0 0 -0.26385 -0.16407 0 -0.24646 0.15699 0.29664 -0.01078 0.17658 -1.7253 GLU_5 -3.89508 0.36887 3.13818 0.00833 -1.31585 0 0 0 0 -0.16767 0 -0.23329 0.0697 2.51611 -0.14996 -1.55374 -1.21441 ARG_6 -4.52156 0.32272 2.99776 0.00957 -1.2712 0 0 0 0 -0.2095 0 -0.23061 0.03824 1.54393 -0.09802 -0.14916 -1.56785 GLU_7 -4.61639 0.44452 2.95811 0.00527 -1.09071 0 0 0 0 -0.34066 0 -0.25652 0.26714 2.43097 -0.14037 -1.55374 -1.89238 LEU_8 -5.20482 0.46272 1.99634 0.00881 -0.27279 0 0 0 0 0 0 -0.07098 0.01254 0.47089 -0.11934 0.60233 -2.1143 GLU_9 -4.33375 0.31129 3.2151 0.00529 -1.16847 0 0 0 0 -0.34774 0 -0.25627 0.12976 2.57918 -0.12662 -1.55374 -1.54598 LYS_10 -4.74153 0.4244 3.27834 0.00311 -1.09161 0 0 0 0 -0.34066 0 -0.18321 0.02629 0.87488 -0.04761 -0.28737 -2.08495 LEU_11 -5.31412 0.52421 1.84068 0.0059 -0.21319 0 0 0 0 0 0 -0.1035 0.10898 0.36865 -0.12273 0.60233 -2.3028 ARG_12 -4.20826 0.34301 3.02876 0.01326 -1.07049 0 0 0 0 -0.34774 0 -0.14743 0 1.53672 -0.07641 -0.14916 -1.07775 LYS_13 -2.9328 0.33256 1.83498 0.00313 -0.16283 0 0 0 0 0 0 -0.26982 0.00183 0.7145 -0.03832 -0.28737 -0.80414 ASN_14 -2.94019 0.49458 2.00195 0.0037 -0.20908 0 0 0 0 0 0 -0.25776 0.02152 1.355 -0.21029 -0.94198 -0.68255 ASN_15 -1.94315 0.39745 1.48981 0.00465 -0.03725 0 0 0 0 0 0 -0.33548 0.03464 1.28907 -0.54939 -0.94198 -0.59162 ALA_16 -2.44494 0.16834 1.19482 0.00077 0.01385 0 0 0 0 0 0 -0.33389 0.02619 0 -0.12903 0.59294 -0.91094 SER_17 -3.29943 0.39945 2.59628 0.00162 -0.76446 0 0 0 -0.57337 0 0 -0.28608 0.0307 0.14841 -0.24173 0.17658 -1.81204 LYS_18 -3.75564 0.25101 2.8412 0.0031 -1.42829 0 0 0 0 -0.33687 0 -0.21817 0.01285 0.77287 -0.04884 -0.28737 -2.19415 GLU_19 -2.94774 0.28661 2.36491 0.00509 -0.91957 0 0 0 0 -0.35608 0 -0.21364 0.10125 2.4392 -0.15131 -1.55374 -0.94502 GLU_20 -4.07531 0.23353 2.91646 0.00392 -0.6388 0 0 0 -0.57337 0 0 -0.2368 0.0097 2.40586 -0.13018 -1.55374 -1.63873 ILE_21 -6.02903 0.75661 2.04275 0.0203 -0.32261 0 0 0 0 0 0 -0.00072 1e-05 0.09104 -0.1371 0.8318 -2.74694 LYS_22 -5.65256 0.60162 3.40722 0.00595 -1.55444 0 0 0 0 -0.35608 0 -0.16904 0.01029 1.94671 -0.04722 -0.28737 -2.09491 GLU_23 -4.04104 0.38798 2.75807 0.00735 -0.86229 0 0 0 0 -0.36927 0 -0.028 0.01344 2.0498 -0.1106 -1.55374 -1.7483 VAL_24 -4.11294 0.42844 1.81195 0.01617 -0.29901 0 0 0 0 0 0 -0.0208 0.00031 0.0033 0.00551 0.74484 -1.42222 LEU_25 -6.8009 0.94513 1.93533 0.00644 -0.44172 0 0 0 0 0 0 -0.1075 0.02149 0.26016 -0.12278 0.60233 -3.70201 LYS_26 -4.41182 0.32408 2.81353 0.00487 -0.95026 0 0 0 0 -0.18722 0 -0.27259 0.30775 1.80312 -0.03336 -0.28737 -0.88928 ARG_27 -3.21761 0.3977 2.13898 0.00962 -0.71522 0 0 0 0 -0.36927 0 -0.22341 0.06031 1.6354 -0.10506 -0.14916 -0.53773 LEU_28 -3.23772 0.30372 1.04001 0.00681 -0.03862 0 0 0 0 0 0 -0.15905 0.29627 0.10637 -0.11095 0.60233 -1.19084 GLY_29 -1.56929 0.14726 0.93931 5e-05 0.11121 0 0 0 0 0 0 0.39539 0.32447 0 -1.08298 0.14053 -0.59406 PHE_30 -5.05972 0.35387 1.94079 0.02266 -0.01958 0 0 0 0 0 0 -0.13895 0.08028 1.43891 -0.24155 0.43057 -1.19272 SER_31 -3.17215 0.28089 2.52844 0.00168 -0.82469 0 0 0 -0.63908 0 0 -0.17368 0.00351 0.09496 -0.30201 0.17658 -2.02554 GLU_32 -2.67479 0.09863 2.43152 0.00771 -1.46887 0 0 0 0 -0.18722 0 -0.21263 4e-05 2.65427 -0.10322 -1.55374 -1.0083 ASP_33 -2.62217 0.197 1.74017 0.00329 -0.15489 0 0 0 0 0 0 -0.10135 0.01136 1.36192 0.04209 -1.28682 -0.8094 GLU_34 -4.57989 0.26263 2.98662 0.00428 -0.62735 0 0 0 -0.63908 0 0 -0.17508 0.00063 2.37954 -0.10735 -1.55374 -2.04879 ALA_35 -4.56477 0.46115 1.84643 0.00074 -0.31849 0 0 0 0 0 0 -0.17986 0.02909 0 -0.1796 0.59294 -2.31237 LYS_36 -3.60185 0.30903 2.02211 0.0056 -0.19101 0 0 0 0 0 0 -0.10883 0.00211 0.81437 -0.02876 -0.28737 -1.06461 LYS_37 -3.25453 0.19822 1.79353 0.00309 -0.26214 0 0 0 0 0 0 -0.2011 0.00018 0.80983 -0.04867 -0.28737 -1.24898 LEU_38 -5.20369 0.5918 1.79387 0.00717 -0.24261 0 0 0 0 0 0 -0.13978 0.13835 0.12761 -0.12964 0.60233 -2.45458 ALA_39 -4.25834 0.25426 1.86776 0.00074 -0.11494 0 0 0 0 0 0 -0.19902 0.09637 0 -0.18323 0.59294 -1.94345 GLU_40 -3.25162 0.26037 2.49104 0.00504 -1.03229 0 0 0 0 -0.33687 0 -0.25219 0.15393 2.37378 -0.15806 -1.55374 -1.30061 LYS_41 -2.70269 0.28012 1.94814 0.00529 -0.9354 0 0 0 0 -0.16767 0 -0.15074 0.03659 0.92535 -0.03892 -0.28737 -1.0873 ALA_42 -2.5573 0.10369 1.09693 0.00073 -0.02525 0 0 0 0 0 0 -0.15419 0.02607 0 -0.16689 0.59294 -1.08326 GLY:CtermProteinFull_43 -1.57754 0.07321 1.58142 0.00011 -0.08278 0 0 0 0 0 0 0 0 0 0 0.14053 0.13494 #END_POSE_ENERGIES_TABLE nods_bigger.blueprint.44_try133_pass_20150324034847_0001_0001.pdb AlaCount 4 bb -0.0449731 buried_minus_exposed 3406.86 buried_np 5010.43 buried_over_exposed 3.12452 cavity_volume 0 contact_all 188 contact_core_SASA 188 contact_core_SCN 188 degree 9.93023 degree_core_SASA 9.93023 degree_core_SCN 9.93023 exposed_hydrophobics 1603.57 holes 1.45974 mismatch_probability 0.104332 one_core_each 1 pack 0.624014 percent_core_SASA 0.0465008 percent_core_SCN 0.139502 res_count_core_SASA 2 res_count_core_SCN 6 ss_sc 0.747374 two_core_each 0.333333 unsat_hbond 1
HHH_rd1_0578.pdb
ATOM 1 N ASP A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA ASP A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C ASP A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O ASP A 1 1.257 2.388 0.115 1.00 0.00 O ATOM 5 CB ASP A 1 1.995 -0.762 -1.214 1.00 0.00 C ATOM 6 CG ASP A 1 1.688 -0.066 -2.534 1.00 0.00 C ATOM 7 OD1 ASP A 1 1.296 1.077 -2.503 1.00 0.00 O ATOM 8 OD2 ASP A 1 1.847 -0.683 -3.559 1.00 0.00 O ATOM 9 1H ASP A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 10 2H ASP A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 11 3H ASP A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 12 HA ASP A 1 1.804 -0.500 0.905 1.00 0.00 H ATOM 13 1HB ASP A 1 3.075 -0.877 -1.124 1.00 0.00 H ATOM 14 2HB ASP A 1 1.560 -1.762 -1.238 1.00 0.00 H ATOM 15 N GLU A 2 3.326 1.539 -0.129 1.00 0.00 N ATOM 16 CA GLU A 2 3.984 2.840 -0.111 1.00 0.00 C ATOM 17 C GLU A 2 3.434 3.750 -1.201 1.00 0.00 C ATOM 18 O GLU A 2 3.144 4.922 -0.957 1.00 0.00 O ATOM 19 CB GLU A 2 5.495 2.675 -0.283 1.00 0.00 C ATOM 20 CG GLU A 2 6.272 3.985 -0.303 1.00 0.00 C ATOM 21 CD GLU A 2 7.752 3.784 -0.469 1.00 0.00 C ATOM 22 OE1 GLU A 2 8.219 2.700 -0.212 1.00 0.00 O ATOM 23 OE2 GLU A 2 8.418 4.717 -0.854 1.00 0.00 O ATOM 24 H GLU A 2 3.886 0.706 -0.243 1.00 0.00 H ATOM 25 HA GLU A 2 3.802 3.305 0.859 1.00 0.00 H ATOM 26 1HB GLU A 2 5.890 2.065 0.529 1.00 0.00 H ATOM 27 2HB GLU A 2 5.700 2.151 -1.217 1.00 0.00 H ATOM 28 1HG GLU A 2 5.906 4.600 -1.124 1.00 0.00 H ATOM 29 2HG GLU A 2 6.084 4.520 0.627 1.00 0.00 H ATOM 30 N ASN A 3 3.293 3.205 -2.405 1.00 0.00 N ATOM 31 CA ASN A 3 2.820 3.980 -3.546 1.00 0.00 C ATOM 32 C ASN A 3 1.430 4.546 -3.288 1.00 0.00 C ATOM 33 O ASN A 3 1.148 5.698 -3.617 1.00 0.00 O ATOM 34 CB ASN A 3 2.827 3.133 -4.805 1.00 0.00 C ATOM 35 CG ASN A 3 4.217 2.864 -5.313 1.00 0.00 C ATOM 36 OD1 ASN A 3 5.150 3.628 -5.039 1.00 0.00 O ATOM 37 ND2 ASN A 3 4.373 1.793 -6.048 1.00 0.00 N ATOM 38 H ASN A 3 3.520 2.229 -2.532 1.00 0.00 H ATOM 39 HA ASN A 3 3.510 4.808 -3.712 1.00 0.00 H ATOM 40 1HB ASN A 3 2.335 2.180 -4.607 1.00 0.00 H ATOM 41 2HB ASN A 3 2.259 3.639 -5.587 1.00 0.00 H ATOM 42 1HD2 ASN A 3 5.276 1.564 -6.413 1.00 0.00 H ATOM 43 2HD2 ASN A 3 3.590 1.203 -6.244 1.00 0.00 H ATOM 44 N GLU A 4 0.563 3.729 -2.698 1.00 0.00 N ATOM 45 CA GLU A 4 -0.769 4.177 -2.309 1.00 0.00 C ATOM 46 C GLU A 4 -0.694 5.328 -1.315 1.00 0.00 C ATOM 47 O GLU A 4 -1.395 6.331 -1.458 1.00 0.00 O ATOM 48 CB GLU A 4 -1.565 3.018 -1.704 1.00 0.00 C ATOM 49 CG GLU A 4 -2.978 3.384 -1.274 1.00 0.00 C ATOM 50 CD GLU A 4 -3.721 2.229 -0.663 1.00 0.00 C ATOM 51 OE1 GLU A 4 -3.192 1.144 -0.656 1.00 0.00 O ATOM 52 OE2 GLU A 4 -4.821 2.432 -0.204 1.00 0.00 O ATOM 53 H GLU A 4 0.835 2.774 -2.515 1.00 0.00 H ATOM 54 HA GLU A 4 -1.293 4.519 -3.202 1.00 0.00 H ATOM 55 1HB GLU A 4 -1.635 2.208 -2.430 1.00 0.00 H ATOM 56 2HB GLU A 4 -1.039 2.632 -0.831 1.00 0.00 H ATOM 57 1HG GLU A 4 -2.927 4.194 -0.546 1.00 0.00 H ATOM 58 2HG GLU A 4 -3.529 3.746 -2.141 1.00 0.00 H ATOM 59 N GLU A 5 0.159 5.179 -0.307 1.00 0.00 N ATOM 60 CA GLU A 5 0.346 6.218 0.698 1.00 0.00 C ATOM 61 C GLU A 5 0.815 7.521 0.063 1.00 0.00 C ATOM 62 O GLU A 5 0.361 8.603 0.436 1.00 0.00 O ATOM 63 CB GLU A 5 1.355 5.763 1.755 1.00 0.00 C ATOM 64 CG GLU A 5 0.859 4.640 2.655 1.00 0.00 C ATOM 65 CD GLU A 5 1.924 4.116 3.578 1.00 0.00 C ATOM 66 OE1 GLU A 5 3.078 4.372 3.329 1.00 0.00 O ATOM 67 OE2 GLU A 5 1.584 3.459 4.533 1.00 0.00 O ATOM 68 H GLU A 5 0.691 4.324 -0.236 1.00 0.00 H ATOM 69 HA GLU A 5 -0.608 6.395 1.195 1.00 0.00 H ATOM 70 1HB GLU A 5 2.266 5.420 1.264 1.00 0.00 H ATOM 71 2HB GLU A 5 1.624 6.607 2.389 1.00 0.00 H ATOM 72 1HG GLU A 5 0.027 5.010 3.254 1.00 0.00 H ATOM 73 2HG GLU A 5 0.491 3.826 2.034 1.00 0.00 H ATOM 74 N ARG A 6 1.725 7.411 -0.898 1.00 0.00 N ATOM 75 CA ARG A 6 2.254 8.580 -1.591 1.00 0.00 C ATOM 76 C ARG A 6 1.166 9.284 -2.391 1.00 0.00 C ATOM 77 O ARG A 6 1.096 10.513 -2.415 1.00 0.00 O ATOM 78 CB ARG A 6 3.388 8.182 -2.523 1.00 0.00 C ATOM 79 CG ARG A 6 4.687 7.808 -1.827 1.00 0.00 C ATOM 80 CD ARG A 6 5.721 7.361 -2.795 1.00 0.00 C ATOM 81 NE ARG A 6 6.982 7.054 -2.140 1.00 0.00 N ATOM 82 CZ ARG A 6 7.944 7.958 -1.871 1.00 0.00 C ATOM 83 NH1 ARG A 6 7.775 9.218 -2.207 1.00 0.00 N ATOM 84 NH2 ARG A 6 9.058 7.579 -1.270 1.00 0.00 N ATOM 85 H ARG A 6 2.060 6.493 -1.156 1.00 0.00 H ATOM 86 HA ARG A 6 2.646 9.275 -0.847 1.00 0.00 H ATOM 87 1HB ARG A 6 3.081 7.330 -3.127 1.00 0.00 H ATOM 88 2HB ARG A 6 3.605 9.005 -3.205 1.00 0.00 H ATOM 89 1HG ARG A 6 5.074 8.673 -1.288 1.00 0.00 H ATOM 90 2HG ARG A 6 4.502 6.995 -1.123 1.00 0.00 H ATOM 91 1HD ARG A 6 5.376 6.463 -3.307 1.00 0.00 H ATOM 92 2HD ARG A 6 5.899 8.149 -3.526 1.00 0.00 H ATOM 93 HE ARG A 6 7.149 6.095 -1.866 1.00 0.00 H ATOM 94 1HH1 ARG A 6 6.923 9.508 -2.667 1.00 0.00 H ATOM 95 2HH1 ARG A 6 8.496 9.895 -2.006 1.00 0.00 H ATOM 96 1HH2 ARG A 6 9.188 6.610 -1.012 1.00 0.00 H ATOM 97 2HH2 ARG A 6 9.779 8.256 -1.069 1.00 0.00 H ATOM 98 N ILE A 7 0.318 8.499 -3.046 1.00 0.00 N ATOM 99 CA ILE A 7 -0.806 9.043 -3.798 1.00 0.00 C ATOM 100 C ILE A 7 -1.782 9.769 -2.881 1.00 0.00 C ATOM 101 O ILE A 7 -2.183 10.900 -3.157 1.00 0.00 O ATOM 102 CB ILE A 7 -1.548 7.930 -4.561 1.00 0.00 C ATOM 103 CG1 ILE A 7 -0.679 7.392 -5.700 1.00 0.00 C ATOM 104 CG2 ILE A 7 -2.875 8.446 -5.097 1.00 0.00 C ATOM 105 CD1 ILE A 7 -1.199 6.112 -6.313 1.00 0.00 C ATOM 106 H ILE A 7 0.455 7.498 -3.023 1.00 0.00 H ATOM 107 HA ILE A 7 -0.421 9.753 -4.531 1.00 0.00 H ATOM 108 HB ILE A 7 -1.739 7.094 -3.888 1.00 0.00 H ATOM 109 1HG1 ILE A 7 -0.606 8.142 -6.487 1.00 0.00 H ATOM 110 2HG1 ILE A 7 0.331 7.207 -5.331 1.00 0.00 H ATOM 111 1HG2 ILE A 7 -3.386 7.647 -5.633 1.00 0.00 H ATOM 112 2HG2 ILE A 7 -3.496 8.781 -4.268 1.00 0.00 H ATOM 113 3HG2 ILE A 7 -2.694 9.280 -5.775 1.00 0.00 H ATOM 114 1HD1 ILE A 7 -0.529 5.793 -7.112 1.00 0.00 H ATOM 115 2HD1 ILE A 7 -1.246 5.336 -5.548 1.00 0.00 H ATOM 116 3HD1 ILE A 7 -2.194 6.282 -6.720 1.00 0.00 H ATOM 117 N ARG A 8 -2.161 9.113 -1.790 1.00 0.00 N ATOM 118 CA ARG A 8 -3.094 9.693 -0.832 1.00 0.00 C ATOM 119 C ARG A 8 -2.510 10.939 -0.180 1.00 0.00 C ATOM 120 O ARG A 8 -3.200 11.945 -0.012 1.00 0.00 O ATOM 121 CB ARG A 8 -3.454 8.681 0.246 1.00 0.00 C ATOM 122 CG ARG A 8 -4.314 7.520 -0.228 1.00 0.00 C ATOM 123 CD ARG A 8 -4.662 6.604 0.887 1.00 0.00 C ATOM 124 NE ARG A 8 -5.373 5.425 0.419 1.00 0.00 N ATOM 125 CZ ARG A 8 -6.695 5.381 0.162 1.00 0.00 C ATOM 126 NH1 ARG A 8 -7.434 6.454 0.332 1.00 0.00 N ATOM 127 NH2 ARG A 8 -7.249 4.258 -0.261 1.00 0.00 N ATOM 128 H ARG A 8 -1.793 8.188 -1.620 1.00 0.00 H ATOM 129 HA ARG A 8 -4.006 9.971 -1.362 1.00 0.00 H ATOM 130 1HB ARG A 8 -2.542 8.263 0.671 1.00 0.00 H ATOM 131 2HB ARG A 8 -3.990 9.182 1.051 1.00 0.00 H ATOM 132 1HG ARG A 8 -5.240 7.905 -0.657 1.00 0.00 H ATOM 133 2HG ARG A 8 -3.773 6.951 -0.984 1.00 0.00 H ATOM 134 1HD ARG A 8 -3.751 6.276 1.387 1.00 0.00 H ATOM 135 2HD ARG A 8 -5.299 7.125 1.601 1.00 0.00 H ATOM 136 HE ARG A 8 -4.838 4.579 0.276 1.00 0.00 H ATOM 137 1HH1 ARG A 8 -7.011 7.313 0.656 1.00 0.00 H ATOM 138 2HH1 ARG A 8 -8.425 6.421 0.140 1.00 0.00 H ATOM 139 1HH2 ARG A 8 -6.680 3.432 -0.393 1.00 0.00 H ATOM 140 2HH2 ARG A 8 -8.239 4.225 -0.454 1.00 0.00 H ATOM 141 N ALA A 9 -1.235 10.867 0.187 1.00 0.00 N ATOM 142 CA ALA A 9 -0.558 11.986 0.831 1.00 0.00 C ATOM 143 C ALA A 9 -0.472 13.188 -0.101 1.00 0.00 C ATOM 144 O ALA A 9 -0.727 14.321 0.307 1.00 0.00 O ATOM 145 CB ALA A 9 0.833 11.571 1.289 1.00 0.00 C ATOM 146 H ALA A 9 -0.721 10.014 0.014 1.00 0.00 H ATOM 147 HA ALA A 9 -1.126 12.270 1.717 1.00 0.00 H ATOM 148 1HB ALA A 9 1.326 12.417 1.768 1.00 0.00 H ATOM 149 2HB ALA A 9 0.752 10.749 1.999 1.00 0.00 H ATOM 150 3HB ALA A 9 1.418 11.251 0.428 1.00 0.00 H ATOM 151 N PHE A 10 -0.112 12.934 -1.354 1.00 0.00 N ATOM 152 CA PHE A 10 -0.036 13.989 -2.358 1.00 0.00 C ATOM 153 C PHE A 10 -1.380 14.686 -2.526 1.00 0.00 C ATOM 154 O PHE A 10 -1.448 15.913 -2.600 1.00 0.00 O ATOM 155 CB PHE A 10 0.418 13.416 -3.702 1.00 0.00 C ATOM 156 CG PHE A 10 0.604 14.454 -4.772 1.00 0.00 C ATOM 157 CD1 PHE A 10 1.774 15.196 -4.841 1.00 0.00 C ATOM 158 CD2 PHE A 10 -0.389 14.691 -5.709 1.00 0.00 C ATOM 159 CE1 PHE A 10 1.946 16.151 -5.825 1.00 0.00 C ATOM 160 CE2 PHE A 10 -0.219 15.645 -6.694 1.00 0.00 C ATOM 161 CZ PHE A 10 0.950 16.376 -6.751 1.00 0.00 C ATOM 162 H PHE A 10 0.116 11.986 -1.618 1.00 0.00 H ATOM 163 HA PHE A 10 0.701 14.724 -2.034 1.00 0.00 H ATOM 164 1HB PHE A 10 1.362 12.888 -3.572 1.00 0.00 H ATOM 165 2HB PHE A 10 -0.315 12.692 -4.055 1.00 0.00 H ATOM 166 HD1 PHE A 10 2.562 15.018 -4.110 1.00 0.00 H ATOM 167 HD2 PHE A 10 -1.313 14.114 -5.664 1.00 0.00 H ATOM 168 HE1 PHE A 10 2.870 16.728 -5.868 1.00 0.00 H ATOM 169 HE2 PHE A 10 -1.008 15.821 -7.426 1.00 0.00 H ATOM 170 HZ PHE A 10 1.085 17.129 -7.526 1.00 0.00 H ATOM 171 N ALA A 11 -2.447 13.897 -2.586 1.00 0.00 N ATOM 172 CA ALA A 11 -3.796 14.440 -2.693 1.00 0.00 C ATOM 173 C ALA A 11 -4.119 15.348 -1.514 1.00 0.00 C ATOM 174 O ALA A 11 -4.684 16.429 -1.686 1.00 0.00 O ATOM 175 CB ALA A 11 -4.815 13.313 -2.787 1.00 0.00 C ATOM 176 H ALA A 11 -2.321 12.896 -2.557 1.00 0.00 H ATOM 177 HA ALA A 11 -3.863 15.023 -3.612 1.00 0.00 H ATOM 178 1HB ALA A 11 -5.817 13.734 -2.866 1.00 0.00 H ATOM 179 2HB ALA A 11 -4.606 12.706 -3.668 1.00 0.00 H ATOM 180 3HB ALA A 11 -4.752 12.691 -1.895 1.00 0.00 H ATOM 181 N LEU A 12 -3.758 14.904 -0.315 1.00 0.00 N ATOM 182 CA LEU A 12 -3.981 15.691 0.893 1.00 0.00 C ATOM 183 C LEU A 12 -3.130 16.954 0.892 1.00 0.00 C ATOM 184 O LEU A 12 -3.568 18.009 1.350 1.00 0.00 O ATOM 185 CB LEU A 12 -3.662 14.853 2.137 1.00 0.00 C ATOM 186 CG LEU A 12 -4.618 13.686 2.417 1.00 0.00 C ATOM 187 CD1 LEU A 12 -4.061 12.833 3.548 1.00 0.00 C ATOM 188 CD2 LEU A 12 -5.994 14.231 2.769 1.00 0.00 C ATOM 189 H LEU A 12 -3.318 13.999 -0.238 1.00 0.00 H ATOM 190 HA LEU A 12 -5.032 15.978 0.930 1.00 0.00 H ATOM 191 1HB LEU A 12 -2.660 14.441 2.031 1.00 0.00 H ATOM 192 2HB LEU A 12 -3.673 15.507 3.009 1.00 0.00 H ATOM 193 HG LEU A 12 -4.694 13.057 1.530 1.00 0.00 H ATOM 194 1HD1 LEU A 12 -4.741 12.004 3.746 1.00 0.00 H ATOM 195 2HD1 LEU A 12 -3.086 12.440 3.261 1.00 0.00 H ATOM 196 3HD1 LEU A 12 -3.959 13.440 4.446 1.00 0.00 H ATOM 197 1HD2 LEU A 12 -6.674 13.402 2.967 1.00 0.00 H ATOM 198 2HD2 LEU A 12 -5.920 14.860 3.657 1.00 0.00 H ATOM 199 3HD2 LEU A 12 -6.376 14.823 1.937 1.00 0.00 H ATOM 200 N TYR A 13 -1.911 16.840 0.375 1.00 0.00 N ATOM 201 CA TYR A 13 -0.995 17.973 0.315 1.00 0.00 C ATOM 202 C TYR A 13 -1.519 19.057 -0.618 1.00 0.00 C ATOM 203 O TYR A 13 -1.526 20.238 -0.271 1.00 0.00 O ATOM 204 CB TYR A 13 0.395 17.515 -0.132 1.00 0.00 C ATOM 205 CG TYR A 13 1.421 18.625 -0.171 1.00 0.00 C ATOM 206 CD1 TYR A 13 1.997 19.079 1.006 1.00 0.00 C ATOM 207 CD2 TYR A 13 1.785 19.191 -1.384 1.00 0.00 C ATOM 208 CE1 TYR A 13 2.934 20.093 0.971 1.00 0.00 C ATOM 209 CE2 TYR A 13 2.722 20.205 -1.420 1.00 0.00 C ATOM 210 CZ TYR A 13 3.295 20.656 -0.248 1.00 0.00 C ATOM 211 OH TYR A 13 4.229 21.667 -0.284 1.00 0.00 O ATOM 212 H TYR A 13 -1.612 15.946 0.013 1.00 0.00 H ATOM 213 HA TYR A 13 -0.897 18.392 1.318 1.00 0.00 H ATOM 214 1HB TYR A 13 0.758 16.739 0.544 1.00 0.00 H ATOM 215 2HB TYR A 13 0.330 17.076 -1.128 1.00 0.00 H ATOM 216 HD1 TYR A 13 1.711 18.634 1.960 1.00 0.00 H ATOM 217 HD2 TYR A 13 1.331 18.835 -2.309 1.00 0.00 H ATOM 218 HE1 TYR A 13 3.387 20.449 1.896 1.00 0.00 H ATOM 219 HE2 TYR A 13 3.008 20.650 -2.373 1.00 0.00 H ATOM 220 HH TYR A 13 4.365 21.943 -1.193 1.00 0.00 H ATOM 221 N LYS A 14 -1.958 18.649 -1.803 1.00 0.00 N ATOM 222 CA LYS A 14 -2.418 19.591 -2.816 1.00 0.00 C ATOM 223 C LYS A 14 -3.860 20.012 -2.564 1.00 0.00 C ATOM 224 O LYS A 14 -4.277 21.101 -2.957 1.00 0.00 O ATOM 225 CB LYS A 14 -2.284 18.984 -4.214 1.00 0.00 C ATOM 226 CG LYS A 14 -0.848 18.729 -4.654 1.00 0.00 C ATOM 227 CD LYS A 14 -0.059 20.027 -4.742 1.00 0.00 C ATOM 228 CE LYS A 14 1.380 19.772 -5.164 1.00 0.00 C ATOM 229 NZ LYS A 14 2.171 21.031 -5.232 1.00 0.00 N ATOM 230 H LYS A 14 -1.974 17.660 -2.008 1.00 0.00 H ATOM 231 HA LYS A 14 -1.783 20.478 -2.778 1.00 0.00 H ATOM 232 1HB LYS A 14 -2.818 18.034 -4.250 1.00 0.00 H ATOM 233 2HB LYS A 14 -2.746 19.647 -4.945 1.00 0.00 H ATOM 234 1HG LYS A 14 -0.361 18.065 -3.940 1.00 0.00 H ATOM 235 2HG LYS A 14 -0.848 18.247 -5.631 1.00 0.00 H ATOM 236 1HD LYS A 14 -0.530 20.691 -5.468 1.00 0.00 H ATOM 237 2HD LYS A 14 -0.060 20.520 -3.770 1.00 0.00 H ATOM 238 1HE LYS A 14 1.854 19.098 -4.453 1.00 0.00 H ATOM 239 2HE LYS A 14 1.393 19.298 -6.145 1.00 0.00 H ATOM 240 1HZ LYS A 14 3.118 20.820 -5.515 1.00 0.00 H ATOM 241 2HZ LYS A 14 1.751 21.658 -5.904 1.00 0.00 H ATOM 242 3HZ LYS A 14 2.183 21.471 -4.323 1.00 0.00 H ATOM 243 N GLY A 15 -4.618 19.142 -1.905 1.00 0.00 N ATOM 244 CA GLY A 15 -6.035 19.386 -1.668 1.00 0.00 C ATOM 245 C GLY A 15 -6.877 18.949 -2.860 1.00 0.00 C ATOM 246 O GLY A 15 -7.835 19.624 -3.237 1.00 0.00 O ATOM 247 H GLY A 15 -4.201 18.289 -1.560 1.00 0.00 H ATOM 248 1HA GLY A 15 -6.353 18.847 -0.776 1.00 0.00 H ATOM 249 2HA GLY A 15 -6.194 20.447 -1.475 1.00 0.00 H ATOM 250 N ILE A 16 -6.513 17.815 -3.450 1.00 0.00 N ATOM 251 CA ILE A 16 -7.206 17.309 -4.629 1.00 0.00 C ATOM 252 C ILE A 16 -7.750 15.907 -4.388 1.00 0.00 C ATOM 253 O ILE A 16 -7.539 15.323 -3.325 1.00 0.00 O ATOM 254 CB ILE A 16 -6.271 17.294 -5.852 1.00 0.00 C ATOM 255 CG1 ILE A 16 -5.093 16.346 -5.611 1.00 0.00 C ATOM 256 CG2 ILE A 16 -5.774 18.698 -6.158 1.00 0.00 C ATOM 257 CD1 ILE A 16 -4.247 16.099 -6.840 1.00 0.00 C ATOM 258 H ILE A 16 -5.737 17.291 -3.073 1.00 0.00 H ATOM 259 HA ILE A 16 -8.046 17.967 -4.845 1.00 0.00 H ATOM 260 HB ILE A 16 -6.810 16.912 -6.718 1.00 0.00 H ATOM 261 1HG1 ILE A 16 -4.451 16.754 -4.831 1.00 0.00 H ATOM 262 2HG1 ILE A 16 -5.466 15.385 -5.257 1.00 0.00 H ATOM 263 1HG2 ILE A 16 -5.114 18.670 -7.025 1.00 0.00 H ATOM 264 2HG2 ILE A 16 -6.623 19.346 -6.371 1.00 0.00 H ATOM 265 3HG2 ILE A 16 -5.228 19.087 -5.299 1.00 0.00 H ATOM 266 1HD1 ILE A 16 -3.433 15.418 -6.591 1.00 0.00 H ATOM 267 2HD1 ILE A 16 -4.864 15.657 -7.623 1.00 0.00 H ATOM 268 3HD1 ILE A 16 -3.834 17.043 -7.193 1.00 0.00 H ATOM 269 N ASP A 17 -8.451 15.371 -5.381 1.00 0.00 N ATOM 270 CA ASP A 17 -8.950 14.002 -5.315 1.00 0.00 C ATOM 271 C ASP A 17 -7.807 12.997 -5.363 1.00 0.00 C ATOM 272 O ASP A 17 -6.822 13.195 -6.073 1.00 0.00 O ATOM 273 CB ASP A 17 -9.925 13.731 -6.464 1.00 0.00 C ATOM 274 CG ASP A 17 -11.249 14.464 -6.303 1.00 0.00 C ATOM 275 OD1 ASP A 17 -11.505 14.961 -5.232 1.00 0.00 O ATOM 276 OD2 ASP A 17 -11.993 14.521 -7.254 1.00 0.00 O ATOM 277 H ASP A 17 -8.644 15.926 -6.203 1.00 0.00 H ATOM 278 HA ASP A 17 -9.480 13.872 -4.371 1.00 0.00 H ATOM 279 1HB ASP A 17 -9.469 14.035 -7.407 1.00 0.00 H ATOM 280 2HB ASP A 17 -10.124 12.661 -6.527 1.00 0.00 H ATOM 281 N PRO A 18 -7.945 11.916 -4.602 1.00 0.00 N ATOM 282 CA PRO A 18 -6.941 10.859 -4.583 1.00 0.00 C ATOM 283 C PRO A 18 -6.905 10.109 -5.909 1.00 0.00 C ATOM 284 O PRO A 18 -5.896 9.500 -6.262 1.00 0.00 O ATOM 285 CB PRO A 18 -7.410 9.958 -3.437 1.00 0.00 C ATOM 286 CG PRO A 18 -8.882 10.185 -3.373 1.00 0.00 C ATOM 287 CD PRO A 18 -9.049 11.649 -3.678 1.00 0.00 C ATOM 288 HA PRO A 18 -5.964 11.313 -4.412 1.00 0.00 H ATOM 289 1HB PRO A 18 -7.149 8.911 -3.650 1.00 0.00 H ATOM 290 2HB PRO A 18 -6.895 10.234 -2.506 1.00 0.00 H ATOM 291 1HG PRO A 18 -9.398 9.539 -4.099 1.00 0.00 H ATOM 292 2HG PRO A 18 -9.265 9.913 -2.378 1.00 0.00 H ATOM 293 1HD PRO A 18 -10.027 11.816 -4.153 1.00 0.00 H ATOM 294 2HD PRO A 18 -8.965 12.230 -2.748 1.00 0.00 H ATOM 295 N GLU A 19 -8.014 10.158 -6.640 1.00 0.00 N ATOM 296 CA GLU A 19 -8.078 9.572 -7.974 1.00 0.00 C ATOM 297 C GLU A 19 -7.305 10.411 -8.982 1.00 0.00 C ATOM 298 O GLU A 19 -6.710 9.880 -9.921 1.00 0.00 O ATOM 299 CB GLU A 19 -9.534 9.428 -8.424 1.00 0.00 C ATOM 300 CG GLU A 19 -10.347 8.430 -7.612 1.00 0.00 C ATOM 301 CD GLU A 19 -9.762 7.045 -7.632 1.00 0.00 C ATOM 302 OE1 GLU A 19 -9.266 6.645 -8.657 1.00 0.00 O ATOM 303 OE2 GLU A 19 -9.811 6.387 -6.619 1.00 0.00 O ATOM 304 H GLU A 19 -8.833 10.613 -6.263 1.00 0.00 H ATOM 305 HA GLU A 19 -7.635 8.576 -7.935 1.00 0.00 H ATOM 306 1HB GLU A 19 -10.031 10.396 -8.359 1.00 0.00 H ATOM 307 2HB GLU A 19 -9.563 9.114 -9.467 1.00 0.00 H ATOM 308 1HG GLU A 19 -10.401 8.775 -6.580 1.00 0.00 H ATOM 309 2HG GLU A 19 -11.361 8.396 -8.008 1.00 0.00 H ATOM 310 N LYS A 20 -7.317 11.725 -8.784 1.00 0.00 N ATOM 311 CA LYS A 20 -6.531 12.632 -9.611 1.00 0.00 C ATOM 312 C LYS A 20 -5.043 12.502 -9.311 1.00 0.00 C ATOM 313 O LYS A 20 -4.213 12.521 -10.220 1.00 0.00 O ATOM 314 CB LYS A 20 -6.985 14.078 -9.402 1.00 0.00 C ATOM 315 CG LYS A 20 -6.252 15.098 -10.264 1.00 0.00 C ATOM 316 CD LYS A 20 -6.397 14.778 -11.744 1.00 0.00 C ATOM 317 CE LYS A 20 -7.845 14.898 -12.198 1.00 0.00 C ATOM 318 NZ LYS A 20 -7.992 14.655 -13.659 1.00 0.00 N ATOM 319 H LYS A 20 -7.885 12.105 -8.041 1.00 0.00 H ATOM 320 HA LYS A 20 -6.699 12.379 -10.659 1.00 0.00 H ATOM 321 1HB LYS A 20 -8.050 14.159 -9.620 1.00 0.00 H ATOM 322 2HB LYS A 20 -6.842 14.357 -8.358 1.00 0.00 H ATOM 323 1HG LYS A 20 -6.658 16.092 -10.074 1.00 0.00 H ATOM 324 2HG LYS A 20 -5.194 15.101 -10.003 1.00 0.00 H ATOM 325 1HD LYS A 20 -5.784 15.466 -12.327 1.00 0.00 H ATOM 326 2HD LYS A 20 -6.051 13.761 -11.932 1.00 0.00 H ATOM 327 1HE LYS A 20 -8.456 14.176 -11.658 1.00 0.00 H ATOM 328 2HE LYS A 20 -8.216 15.897 -11.970 1.00 0.00 H ATOM 329 1HZ LYS A 20 -8.964 14.744 -13.919 1.00 0.00 H ATOM 330 2HZ LYS A 20 -7.443 15.332 -14.170 1.00 0.00 H ATOM 331 3HZ LYS A 20 -7.668 13.724 -13.880 1.00 0.00 H ATOM 332 N ALA A 21 -4.712 12.370 -8.031 1.00 0.00 N ATOM 333 CA ALA A 21 -3.337 12.117 -7.617 1.00 0.00 C ATOM 334 C ALA A 21 -2.824 10.802 -8.187 1.00 0.00 C ATOM 335 O ALA A 21 -1.685 10.716 -8.647 1.00 0.00 O ATOM 336 CB ALA A 21 -3.234 12.112 -6.099 1.00 0.00 C ATOM 337 H ALA A 21 -5.432 12.448 -7.326 1.00 0.00 H ATOM 338 HA ALA A 21 -2.709 12.928 -7.988 1.00 0.00 H ATOM 339 1HB ALA A 21 -2.201 11.921 -5.805 1.00 0.00 H ATOM 340 2HB ALA A 21 -3.549 13.079 -5.709 1.00 0.00 H ATOM 341 3HB ALA A 21 -3.876 11.331 -5.693 1.00 0.00 H ATOM 342 N ARG A 22 -3.670 9.778 -8.155 1.00 0.00 N ATOM 343 CA ARG A 22 -3.342 8.493 -8.762 1.00 0.00 C ATOM 344 C ARG A 22 -3.100 8.637 -10.259 1.00 0.00 C ATOM 345 O ARG A 22 -2.120 8.117 -10.792 1.00 0.00 O ATOM 346 CB ARG A 22 -4.461 7.489 -8.526 1.00 0.00 C ATOM 347 CG ARG A 22 -4.237 6.123 -9.155 1.00 0.00 C ATOM 348 CD ARG A 22 -5.362 5.196 -8.872 1.00 0.00 C ATOM 349 NE ARG A 22 -6.620 5.691 -9.408 1.00 0.00 N ATOM 350 CZ ARG A 22 -6.976 5.627 -10.706 1.00 0.00 C ATOM 351 NH1 ARG A 22 -6.160 5.089 -11.586 1.00 0.00 N ATOM 352 NH2 ARG A 22 -8.145 6.106 -11.096 1.00 0.00 N ATOM 353 H ARG A 22 -4.563 9.892 -7.698 1.00 0.00 H ATOM 354 HA ARG A 22 -2.433 8.112 -8.296 1.00 0.00 H ATOM 355 1HB ARG A 22 -4.596 7.341 -7.456 1.00 0.00 H ATOM 356 2HB ARG A 22 -5.395 7.886 -8.923 1.00 0.00 H ATOM 357 1HG ARG A 22 -4.145 6.231 -10.236 1.00 0.00 H ATOM 358 2HG ARG A 22 -3.322 5.684 -8.756 1.00 0.00 H ATOM 359 1HD ARG A 22 -5.157 4.226 -9.323 1.00 0.00 H ATOM 360 2HD ARG A 22 -5.474 5.079 -7.795 1.00 0.00 H ATOM 361 HE ARG A 22 -7.274 6.112 -8.762 1.00 0.00 H ATOM 362 1HH1 ARG A 22 -5.267 4.723 -11.288 1.00 0.00 H ATOM 363 2HH1 ARG A 22 -6.427 5.041 -12.558 1.00 0.00 H ATOM 364 1HH2 ARG A 22 -8.772 6.520 -10.419 1.00 0.00 H ATOM 365 2HH2 ARG A 22 -8.411 6.058 -12.068 1.00 0.00 H ATOM 366 N GLU A 23 -3.999 9.347 -10.933 1.00 0.00 N ATOM 367 CA GLU A 23 -3.865 9.592 -12.364 1.00 0.00 C ATOM 368 C GLU A 23 -2.527 10.245 -12.688 1.00 0.00 C ATOM 369 O GLU A 23 -1.809 9.801 -13.583 1.00 0.00 O ATOM 370 CB GLU A 23 -5.009 10.476 -12.863 1.00 0.00 C ATOM 371 CG GLU A 23 -4.980 10.758 -14.359 1.00 0.00 C ATOM 372 CD GLU A 23 -6.093 11.665 -14.805 1.00 0.00 C ATOM 373 OE1 GLU A 23 -6.873 12.069 -13.977 1.00 0.00 O ATOM 374 OE2 GLU A 23 -6.162 11.955 -15.976 1.00 0.00 O ATOM 375 H GLU A 23 -4.796 9.726 -10.441 1.00 0.00 H ATOM 376 HA GLU A 23 -3.922 8.636 -12.886 1.00 0.00 H ATOM 377 1HB GLU A 23 -5.963 10.003 -12.631 1.00 0.00 H ATOM 378 2HB GLU A 23 -4.984 11.434 -12.342 1.00 0.00 H ATOM 379 1HG GLU A 23 -4.026 11.220 -14.612 1.00 0.00 H ATOM 380 2HG GLU A 23 -5.049 9.814 -14.897 1.00 0.00 H ATOM 381 N LEU A 24 -2.198 11.303 -11.954 1.00 0.00 N ATOM 382 CA LEU A 24 -0.941 12.013 -12.154 1.00 0.00 C ATOM 383 C LEU A 24 0.253 11.100 -11.908 1.00 0.00 C ATOM 384 O LEU A 24 1.252 11.161 -12.625 1.00 0.00 O ATOM 385 CB LEU A 24 -0.864 13.229 -11.222 1.00 0.00 C ATOM 386 CG LEU A 24 -1.846 14.366 -11.529 1.00 0.00 C ATOM 387 CD1 LEU A 24 -1.802 15.393 -10.405 1.00 0.00 C ATOM 388 CD2 LEU A 24 -1.487 15.001 -12.864 1.00 0.00 C ATOM 389 H LEU A 24 -2.835 11.623 -11.239 1.00 0.00 H ATOM 390 HA LEU A 24 -0.904 12.367 -13.186 1.00 0.00 H ATOM 391 1HB LEU A 24 -1.051 12.896 -10.202 1.00 0.00 H ATOM 392 2HB LEU A 24 0.144 13.640 -11.269 1.00 0.00 H ATOM 393 HG LEU A 24 -2.860 13.968 -11.577 1.00 0.00 H ATOM 394 1HD1 LEU A 24 -2.501 16.201 -10.624 1.00 0.00 H ATOM 395 2HD1 LEU A 24 -2.082 14.917 -9.466 1.00 0.00 H ATOM 396 3HD1 LEU A 24 -0.794 15.798 -10.322 1.00 0.00 H ATOM 397 1HD2 LEU A 24 -2.186 15.809 -13.083 1.00 0.00 H ATOM 398 2HD2 LEU A 24 -0.474 15.400 -12.816 1.00 0.00 H ATOM 399 3HD2 LEU A 24 -1.544 14.249 -13.651 1.00 0.00 H ATOM 400 N TRP A 25 0.144 10.254 -10.889 1.00 0.00 N ATOM 401 CA TRP A 25 1.196 9.295 -10.574 1.00 0.00 C ATOM 402 C TRP A 25 1.385 8.293 -11.706 1.00 0.00 C ATOM 403 O TRP A 25 2.513 7.977 -12.086 1.00 0.00 O ATOM 404 CB TRP A 25 0.868 8.550 -9.279 1.00 0.00 C ATOM 405 CG TRP A 25 1.911 7.549 -8.883 1.00 0.00 C ATOM 406 CD1 TRP A 25 3.092 7.808 -8.255 1.00 0.00 C ATOM 407 CD2 TRP A 25 1.871 6.116 -9.088 1.00 0.00 C ATOM 408 NE1 TRP A 25 3.788 6.641 -8.057 1.00 0.00 N ATOM 409 CE2 TRP A 25 3.054 5.595 -8.559 1.00 0.00 C ATOM 410 CE3 TRP A 25 0.939 5.247 -9.668 1.00 0.00 C ATOM 411 CZ2 TRP A 25 3.339 4.239 -8.592 1.00 0.00 C ATOM 412 CZ3 TRP A 25 1.223 3.887 -9.700 1.00 0.00 C ATOM 413 CH2 TRP A 25 2.392 3.397 -9.175 1.00 0.00 C ATOM 414 H TRP A 25 -0.689 10.276 -10.319 1.00 0.00 H ATOM 415 HA TRP A 25 2.130 9.840 -10.430 1.00 0.00 H ATOM 416 1HB TRP A 25 0.755 9.267 -8.465 1.00 0.00 H ATOM 417 2HB TRP A 25 -0.083 8.029 -9.390 1.00 0.00 H ATOM 418 HD1 TRP A 25 3.434 8.796 -7.954 1.00 0.00 H ATOM 419 HE1 TRP A 25 4.692 6.563 -7.614 1.00 0.00 H ATOM 420 HE3 TRP A 25 0.008 5.630 -10.084 1.00 0.00 H ATOM 421 HZ2 TRP A 25 4.262 3.831 -8.180 1.00 0.00 H ATOM 422 HZ3 TRP A 25 0.493 3.217 -10.155 1.00 0.00 H ATOM 423 HH2 TRP A 25 2.583 2.324 -9.216 1.00 0.00 H ATOM 424 N GLU A 26 0.275 7.797 -12.242 1.00 0.00 N ATOM 425 CA GLU A 26 0.317 6.822 -13.325 1.00 0.00 C ATOM 426 C GLU A 26 0.849 7.446 -14.608 1.00 0.00 C ATOM 427 O GLU A 26 1.615 6.822 -15.343 1.00 0.00 O ATOM 428 CB GLU A 26 -1.075 6.237 -13.570 1.00 0.00 C ATOM 429 CG GLU A 26 -1.586 5.339 -12.452 1.00 0.00 C ATOM 430 CD GLU A 26 -3.002 4.884 -12.668 1.00 0.00 C ATOM 431 OE1 GLU A 26 -3.572 5.234 -13.673 1.00 0.00 O ATOM 432 OE2 GLU A 26 -3.516 4.185 -11.826 1.00 0.00 O ATOM 433 H GLU A 26 -0.620 8.103 -11.890 1.00 0.00 H ATOM 434 HA GLU A 26 0.980 6.007 -13.032 1.00 0.00 H ATOM 435 1HB GLU A 26 -1.793 7.047 -13.702 1.00 0.00 H ATOM 436 2HB GLU A 26 -1.068 5.653 -14.491 1.00 0.00 H ATOM 437 1HG GLU A 26 -0.942 4.463 -12.381 1.00 0.00 H ATOM 438 2HG GLU A 26 -1.523 5.880 -11.509 1.00 0.00 H ATOM 439 N ARG A 27 0.439 8.682 -14.873 1.00 0.00 N ATOM 440 CA ARG A 27 0.897 9.405 -16.054 1.00 0.00 C ATOM 441 C ARG A 27 2.365 9.791 -15.928 1.00 0.00 C ATOM 442 O ARG A 27 3.095 9.824 -16.918 1.00 0.00 O ATOM 443 CB ARG A 27 0.062 10.658 -16.271 1.00 0.00 C ATOM 444 CG ARG A 27 -1.360 10.406 -16.746 1.00 0.00 C ATOM 445 CD ARG A 27 -2.063 11.672 -17.074 1.00 0.00 C ATOM 446 NE ARG A 27 -3.465 11.449 -17.389 1.00 0.00 N ATOM 447 CZ ARG A 27 -3.921 11.013 -18.579 1.00 0.00 C ATOM 448 NH1 ARG A 27 -3.077 10.758 -19.553 1.00 0.00 N ATOM 449 NH2 ARG A 27 -5.218 10.841 -18.766 1.00 0.00 N ATOM 450 H ARG A 27 -0.207 9.132 -14.241 1.00 0.00 H ATOM 451 HA ARG A 27 0.779 8.757 -16.923 1.00 0.00 H ATOM 452 1HB ARG A 27 0.004 11.222 -15.341 1.00 0.00 H ATOM 453 2HB ARG A 27 0.549 11.296 -17.010 1.00 0.00 H ATOM 454 1HG ARG A 27 -1.339 9.784 -17.642 1.00 0.00 H ATOM 455 2HG ARG A 27 -1.920 9.895 -15.962 1.00 0.00 H ATOM 456 1HD ARG A 27 -2.009 12.349 -16.221 1.00 0.00 H ATOM 457 2HD ARG A 27 -1.589 12.138 -17.937 1.00 0.00 H ATOM 458 HE ARG A 27 -4.145 11.634 -16.663 1.00 0.00 H ATOM 459 1HH1 ARG A 27 -2.085 10.890 -19.410 1.00 0.00 H ATOM 460 2HH1 ARG A 27 -3.419 10.431 -20.445 1.00 0.00 H ATOM 461 1HH2 ARG A 27 -5.867 11.036 -18.017 1.00 0.00 H ATOM 462 2HH2 ARG A 27 -5.560 10.514 -19.658 1.00 0.00 H ATOM 463 N GLY A 28 2.792 10.083 -14.704 1.00 0.00 N ATOM 464 CA GLY A 28 4.142 10.577 -14.461 1.00 0.00 C ATOM 465 C GLY A 28 4.170 12.100 -14.410 1.00 0.00 C ATOM 466 O GLY A 28 5.235 12.713 -14.487 1.00 0.00 O ATOM 467 H GLY A 28 2.165 9.960 -13.922 1.00 0.00 H ATOM 468 1HA GLY A 28 4.514 10.171 -13.520 1.00 0.00 H ATOM 469 2HA GLY A 28 4.806 10.224 -15.249 1.00 0.00 H ATOM 470 N GLU A 29 2.994 12.704 -14.279 1.00 0.00 N ATOM 471 CA GLU A 29 2.883 14.156 -14.211 1.00 0.00 C ATOM 472 C GLU A 29 2.876 14.641 -12.766 1.00 0.00 C ATOM 473 O GLU A 29 2.996 15.838 -12.503 1.00 0.00 O ATOM 474 CB GLU A 29 1.614 14.628 -14.923 1.00 0.00 C ATOM 475 CG GLU A 29 1.597 14.361 -16.421 1.00 0.00 C ATOM 476 CD GLU A 29 0.333 14.832 -17.086 1.00 0.00 C ATOM 477 OE1 GLU A 29 -0.552 15.272 -16.392 1.00 0.00 O ATOM 478 OE2 GLU A 29 0.253 14.752 -18.289 1.00 0.00 O ATOM 479 H GLU A 29 2.156 12.144 -14.225 1.00 0.00 H ATOM 480 HA GLU A 29 3.751 14.594 -14.705 1.00 0.00 H ATOM 481 1HB GLU A 29 0.746 14.134 -14.485 1.00 0.00 H ATOM 482 2HB GLU A 29 1.489 15.701 -14.773 1.00 0.00 H ATOM 483 1HG GLU A 29 2.446 14.868 -16.880 1.00 0.00 H ATOM 484 2HG GLU A 29 1.714 13.291 -16.590 1.00 0.00 H ATOM 485 N ILE A 30 2.736 13.705 -11.834 1.00 0.00 N ATOM 486 CA ILE A 30 2.803 14.023 -10.413 1.00 0.00 C ATOM 487 C ILE A 30 4.134 14.671 -10.055 1.00 0.00 C ATOM 488 O ILE A 30 5.181 14.289 -10.578 1.00 0.00 O ATOM 489 CB ILE A 30 2.600 12.760 -9.557 1.00 0.00 C ATOM 490 CG1 ILE A 30 2.358 13.139 -8.094 1.00 0.00 C ATOM 491 CG2 ILE A 30 3.802 11.836 -9.679 1.00 0.00 C ATOM 492 CD1 ILE A 30 1.838 12.001 -7.246 1.00 0.00 C ATOM 493 H ILE A 30 2.578 12.748 -12.117 1.00 0.00 H ATOM 494 HA ILE A 30 1.999 14.722 -10.176 1.00 0.00 H ATOM 495 HB ILE A 30 1.710 12.230 -9.896 1.00 0.00 H ATOM 496 1HG1 ILE A 30 3.288 13.497 -7.652 1.00 0.00 H ATOM 497 2HG1 ILE A 30 1.638 13.956 -8.044 1.00 0.00 H ATOM 498 1HG2 ILE A 30 3.642 10.948 -9.068 1.00 0.00 H ATOM 499 2HG2 ILE A 30 3.930 11.541 -10.720 1.00 0.00 H ATOM 500 3HG2 ILE A 30 4.697 12.356 -9.337 1.00 0.00 H ATOM 501 1HD1 ILE A 30 1.691 12.347 -6.222 1.00 0.00 H ATOM 502 2HD1 ILE A 30 0.888 11.650 -7.650 1.00 0.00 H ATOM 503 3HD1 ILE A 30 2.559 11.184 -7.252 1.00 0.00 H ATOM 504 N ASN A 31 4.087 15.654 -9.162 1.00 0.00 N ATOM 505 CA ASN A 31 5.298 16.305 -8.676 1.00 0.00 C ATOM 506 C ASN A 31 6.010 15.444 -7.641 1.00 0.00 C ATOM 507 O ASN A 31 5.568 15.338 -6.497 1.00 0.00 O ATOM 508 CB ASN A 31 4.974 17.672 -8.101 1.00 0.00 C ATOM 509 CG ASN A 31 6.202 18.421 -7.664 1.00 0.00 C ATOM 510 OD1 ASN A 31 7.133 17.836 -7.098 1.00 0.00 O ATOM 511 ND2 ASN A 31 6.224 19.705 -7.916 1.00 0.00 N ATOM 512 H ASN A 31 3.190 15.957 -8.811 1.00 0.00 H ATOM 513 HA ASN A 31 5.982 16.435 -9.516 1.00 0.00 H ATOM 514 1HB ASN A 31 4.447 18.266 -8.849 1.00 0.00 H ATOM 515 2HB ASN A 31 4.308 17.559 -7.245 1.00 0.00 H ATOM 516 1HD2 ASN A 31 7.016 20.254 -7.648 1.00 0.00 H ATOM 517 2HD2 ASN A 31 5.449 20.137 -8.377 1.00 0.00 H ATOM 518 N LYS A 32 7.114 14.829 -8.050 1.00 0.00 N ATOM 519 CA LYS A 32 7.773 13.814 -7.236 1.00 0.00 C ATOM 520 C LYS A 32 8.355 14.421 -5.965 1.00 0.00 C ATOM 521 O LYS A 32 8.394 13.774 -4.919 1.00 0.00 O ATOM 522 CB LYS A 32 8.872 13.115 -8.036 1.00 0.00 C ATOM 523 CG LYS A 32 8.361 12.210 -9.149 1.00 0.00 C ATOM 524 CD LYS A 32 9.510 11.566 -9.910 1.00 0.00 C ATOM 525 CE LYS A 32 9.001 10.666 -11.026 1.00 0.00 C ATOM 526 NZ LYS A 32 10.115 10.058 -11.803 1.00 0.00 N ATOM 527 H LYS A 32 7.508 15.070 -8.948 1.00 0.00 H ATOM 528 HA LYS A 32 7.034 13.061 -6.957 1.00 0.00 H ATOM 529 1HB LYS A 32 9.526 13.862 -8.487 1.00 0.00 H ATOM 530 2HB LYS A 32 9.481 12.509 -7.366 1.00 0.00 H ATOM 531 1HG LYS A 32 7.734 11.426 -8.722 1.00 0.00 H ATOM 532 2HG LYS A 32 7.758 12.794 -9.845 1.00 0.00 H ATOM 533 1HD LYS A 32 10.143 12.343 -10.341 1.00 0.00 H ATOM 534 2HD LYS A 32 10.113 10.971 -9.223 1.00 0.00 H ATOM 535 1HE LYS A 32 8.394 9.868 -10.601 1.00 0.00 H ATOM 536 2HE LYS A 32 8.376 11.246 -11.705 1.00 0.00 H ATOM 537 1HZ LYS A 32 9.737 9.470 -12.532 1.00 0.00 H ATOM 538 2HZ LYS A 32 10.676 10.790 -12.218 1.00 0.00 H ATOM 539 3HZ LYS A 32 10.691 9.502 -11.188 1.00 0.00 H ATOM 540 N ASP A 33 8.806 15.667 -6.064 1.00 0.00 N ATOM 541 CA ASP A 33 9.379 16.366 -4.920 1.00 0.00 C ATOM 542 C ASP A 33 8.325 16.634 -3.853 1.00 0.00 C ATOM 543 O ASP A 33 8.563 16.421 -2.664 1.00 0.00 O ATOM 544 CB ASP A 33 10.013 17.688 -5.362 1.00 0.00 C ATOM 545 CG ASP A 33 11.295 17.492 -6.159 1.00 0.00 C ATOM 546 OD1 ASP A 33 11.832 16.411 -6.128 1.00 0.00 O ATOM 547 OD2 ASP A 33 11.725 18.427 -6.792 1.00 0.00 O ATOM 548 H ASP A 33 8.752 16.141 -6.954 1.00 0.00 H ATOM 549 HA ASP A 33 10.162 15.742 -4.488 1.00 0.00 H ATOM 550 1HB ASP A 33 9.303 18.245 -5.973 1.00 0.00 H ATOM 551 2HB ASP A 33 10.237 18.295 -4.484 1.00 0.00 H ATOM 552 N ASP A 34 7.158 17.100 -4.286 1.00 0.00 N ATOM 553 CA ASP A 34 6.040 17.328 -3.378 1.00 0.00 C ATOM 554 C ASP A 34 5.427 16.011 -2.919 1.00 0.00 C ATOM 555 O ASP A 34 4.922 15.906 -1.801 1.00 0.00 O ATOM 556 CB ASP A 34 4.969 18.189 -4.051 1.00 0.00 C ATOM 557 CG ASP A 34 5.412 19.631 -4.258 1.00 0.00 C ATOM 558 OD1 ASP A 34 6.374 20.031 -3.645 1.00 0.00 O ATOM 559 OD2 ASP A 34 4.786 20.320 -5.028 1.00 0.00 O ATOM 560 H ASP A 34 7.043 17.303 -5.268 1.00 0.00 H ATOM 561 HA ASP A 34 6.408 17.865 -2.503 1.00 0.00 H ATOM 562 1HB ASP A 34 4.713 17.760 -5.020 1.00 0.00 H ATOM 563 2HB ASP A 34 4.064 18.187 -3.443 1.00 0.00 H ATOM 564 N GLU A 35 5.473 15.008 -3.789 1.00 0.00 N ATOM 565 CA GLU A 35 5.026 13.666 -3.435 1.00 0.00 C ATOM 566 C GLU A 35 5.822 13.111 -2.261 1.00 0.00 C ATOM 567 O GLU A 35 5.251 12.619 -1.288 1.00 0.00 O ATOM 568 CB GLU A 35 5.151 12.727 -4.638 1.00 0.00 C ATOM 569 CG GLU A 35 4.700 11.299 -4.370 1.00 0.00 C ATOM 570 CD GLU A 35 4.883 10.395 -5.557 1.00 0.00 C ATOM 571 OE1 GLU A 35 5.298 10.873 -6.586 1.00 0.00 O ATOM 572 OE2 GLU A 35 4.607 9.225 -5.436 1.00 0.00 O ATOM 573 H GLU A 35 5.827 15.179 -4.719 1.00 0.00 H ATOM 574 HA GLU A 35 3.974 13.715 -3.152 1.00 0.00 H ATOM 575 1HB GLU A 35 4.558 13.116 -5.466 1.00 0.00 H ATOM 576 2HB GLU A 35 6.190 12.694 -4.966 1.00 0.00 H ATOM 577 1HG GLU A 35 5.272 10.899 -3.533 1.00 0.00 H ATOM 578 2HG GLU A 35 3.649 11.308 -4.085 1.00 0.00 H ATOM 579 N GLU A 36 7.145 13.195 -2.358 1.00 0.00 N ATOM 580 CA GLU A 36 8.022 12.742 -1.285 1.00 0.00 C ATOM 581 C GLU A 36 7.781 13.533 -0.006 1.00 0.00 C ATOM 582 O GLU A 36 7.622 12.958 1.071 1.00 0.00 O ATOM 583 CB GLU A 36 9.488 12.867 -1.705 1.00 0.00 C ATOM 584 CG GLU A 36 10.487 12.464 -0.630 1.00 0.00 C ATOM 585 CD GLU A 36 10.494 10.985 -0.363 1.00 0.00 C ATOM 586 OE1 GLU A 36 10.109 10.241 -1.233 1.00 0.00 O ATOM 587 OE2 GLU A 36 10.885 10.598 0.713 1.00 0.00 O ATOM 588 H GLU A 36 7.553 13.581 -3.197 1.00 0.00 H ATOM 589 HA GLU A 36 7.814 11.689 -1.089 1.00 0.00 H ATOM 590 1HB GLU A 36 9.670 12.245 -2.581 1.00 0.00 H ATOM 591 2HB GLU A 36 9.698 13.899 -1.987 1.00 0.00 H ATOM 592 1HG GLU A 36 11.485 12.770 -0.943 1.00 0.00 H ATOM 593 2HG GLU A 36 10.247 12.994 0.291 1.00 0.00 H ATOM 594 N LYS A 37 7.754 14.856 -0.131 1.00 0.00 N ATOM 595 CA LYS A 37 7.466 15.727 1.003 1.00 0.00 C ATOM 596 C LYS A 37 6.171 15.321 1.694 1.00 0.00 C ATOM 597 O LYS A 37 6.139 15.127 2.909 1.00 0.00 O ATOM 598 CB LYS A 37 7.386 17.185 0.551 1.00 0.00 C ATOM 599 CG LYS A 37 7.061 18.172 1.664 1.00 0.00 C ATOM 600 CD LYS A 37 6.945 19.591 1.129 1.00 0.00 C ATOM 601 CE LYS A 37 6.542 20.567 2.225 1.00 0.00 C ATOM 602 NZ LYS A 37 6.330 21.941 1.697 1.00 0.00 N ATOM 603 H LYS A 37 7.938 15.269 -1.034 1.00 0.00 H ATOM 604 HA LYS A 37 8.285 15.645 1.719 1.00 0.00 H ATOM 605 1HB LYS A 37 8.337 17.482 0.108 1.00 0.00 H ATOM 606 2HB LYS A 37 6.620 17.286 -0.219 1.00 0.00 H ATOM 607 1HG LYS A 37 6.118 17.892 2.135 1.00 0.00 H ATOM 608 2HG LYS A 37 7.847 18.141 2.418 1.00 0.00 H ATOM 609 1HD LYS A 37 7.903 19.903 0.711 1.00 0.00 H ATOM 610 2HD LYS A 37 6.197 19.621 0.336 1.00 0.00 H ATOM 611 1HE LYS A 37 5.620 20.225 2.694 1.00 0.00 H ATOM 612 2HE LYS A 37 7.321 20.600 2.987 1.00 0.00 H ATOM 613 1HZ LYS A 37 6.065 22.556 2.453 1.00 0.00 H ATOM 614 2HZ LYS A 37 7.185 22.276 1.275 1.00 0.00 H ATOM 615 3HZ LYS A 37 5.596 21.927 1.003 1.00 0.00 H ATOM 616 N ALA A 38 5.104 15.193 0.913 1.00 0.00 N ATOM 617 CA ALA A 38 3.790 14.871 1.457 1.00 0.00 C ATOM 618 C ALA A 38 3.805 13.529 2.177 1.00 0.00 C ATOM 619 O ALA A 38 3.243 13.390 3.263 1.00 0.00 O ATOM 620 CB ALA A 38 2.745 14.865 0.350 1.00 0.00 C ATOM 621 H ALA A 38 5.205 15.322 -0.084 1.00 0.00 H ATOM 622 HA ALA A 38 3.511 15.648 2.170 1.00 0.00 H ATOM 623 1HB ALA A 38 1.770 14.623 0.772 1.00 0.00 H ATOM 624 2HB ALA A 38 2.705 15.849 -0.117 1.00 0.00 H ATOM 625 3HB ALA A 38 3.012 14.120 -0.398 1.00 0.00 H ATOM 626 N TRP A 39 4.453 12.543 1.566 1.00 0.00 N ATOM 627 CA TRP A 39 4.522 11.203 2.136 1.00 0.00 C ATOM 628 C TRP A 39 5.261 11.209 3.468 1.00 0.00 C ATOM 629 O TRP A 39 4.854 10.539 4.418 1.00 0.00 O ATOM 630 CB TRP A 39 5.219 10.246 1.167 1.00 0.00 C ATOM 631 CG TRP A 39 5.293 8.835 1.668 1.00 0.00 C ATOM 632 CD1 TRP A 39 4.276 7.928 1.702 1.00 0.00 C ATOM 633 CD2 TRP A 39 6.452 8.159 2.211 1.00 0.00 C ATOM 634 NE1 TRP A 39 4.720 6.740 2.228 1.00 0.00 N ATOM 635 CE2 TRP A 39 6.050 6.863 2.544 1.00 0.00 C ATOM 636 CE3 TRP A 39 7.780 8.544 2.438 1.00 0.00 C ATOM 637 CZ2 TRP A 39 6.926 5.942 3.095 1.00 0.00 C ATOM 638 CZ3 TRP A 39 8.658 7.620 2.990 1.00 0.00 C ATOM 639 CH2 TRP A 39 8.242 6.352 3.309 1.00 0.00 C ATOM 640 H TRP A 39 4.909 12.726 0.683 1.00 0.00 H ATOM 641 HA TRP A 39 3.505 10.844 2.302 1.00 0.00 H ATOM 642 1HB TRP A 39 4.689 10.244 0.214 1.00 0.00 H ATOM 643 2HB TRP A 39 6.233 10.596 0.977 1.00 0.00 H ATOM 644 HD1 TRP A 39 3.260 8.119 1.362 1.00 0.00 H ATOM 645 HE1 TRP A 39 4.160 5.910 2.362 1.00 0.00 H ATOM 646 HE3 TRP A 39 8.116 9.549 2.184 1.00 0.00 H ATOM 647 HZ2 TRP A 39 6.614 4.930 3.356 1.00 0.00 H ATOM 648 HZ3 TRP A 39 9.690 7.928 3.164 1.00 0.00 H ATOM 649 HH2 TRP A 39 8.958 5.652 3.741 1.00 0.00 H ATOM 650 N ARG A 40 6.348 11.969 3.533 1.00 0.00 N ATOM 651 CA ARG A 40 7.120 12.099 4.763 1.00 0.00 C ATOM 652 C ARG A 40 6.293 12.745 5.867 1.00 0.00 C ATOM 653 O ARG A 40 6.387 12.359 7.032 1.00 0.00 O ATOM 654 CB ARG A 40 8.375 12.926 4.523 1.00 0.00 C ATOM 655 CG ARG A 40 9.444 12.239 3.688 1.00 0.00 C ATOM 656 CD ARG A 40 10.637 13.104 3.505 1.00 0.00 C ATOM 657 NE ARG A 40 11.638 12.475 2.658 1.00 0.00 N ATOM 658 CZ ARG A 40 12.892 12.938 2.482 1.00 0.00 C ATOM 659 NH1 ARG A 40 13.281 14.032 3.099 1.00 0.00 N ATOM 660 NH2 ARG A 40 13.729 12.292 1.690 1.00 0.00 N ATOM 661 H ARG A 40 6.648 12.470 2.709 1.00 0.00 H ATOM 662 HA ARG A 40 7.422 11.103 5.089 1.00 0.00 H ATOM 663 1HB ARG A 40 8.107 13.853 4.017 1.00 0.00 H ATOM 664 2HB ARG A 40 8.823 13.193 5.479 1.00 0.00 H ATOM 665 1HG ARG A 40 9.759 11.321 4.185 1.00 0.00 H ATOM 666 2HG ARG A 40 9.040 11.999 2.704 1.00 0.00 H ATOM 667 1HD ARG A 40 10.338 14.043 3.039 1.00 0.00 H ATOM 668 2HD ARG A 40 11.091 13.309 4.474 1.00 0.00 H ATOM 669 HE ARG A 40 11.376 11.631 2.167 1.00 0.00 H ATOM 670 1HH1 ARG A 40 12.641 14.525 3.704 1.00 0.00 H ATOM 671 2HH1 ARG A 40 14.220 14.378 2.966 1.00 0.00 H ATOM 672 1HH2 ARG A 40 13.429 11.451 1.216 1.00 0.00 H ATOM 673 2HH2 ARG A 40 14.668 12.639 1.558 1.00 0.00 H ATOM 674 N GLU A 41 5.483 13.729 5.494 1.00 0.00 N ATOM 675 CA GLU A 41 4.573 14.371 6.434 1.00 0.00 C ATOM 676 C GLU A 41 3.418 13.447 6.800 1.00 0.00 C ATOM 677 O GLU A 41 2.924 13.471 7.927 1.00 0.00 O ATOM 678 CB GLU A 41 4.029 15.675 5.846 1.00 0.00 C ATOM 679 CG GLU A 41 5.071 16.773 5.682 1.00 0.00 C ATOM 680 CD GLU A 41 4.515 18.015 5.044 1.00 0.00 C ATOM 681 OE1 GLU A 41 3.382 17.991 4.629 1.00 0.00 O ATOM 682 OE2 GLU A 41 5.226 18.990 4.971 1.00 0.00 O ATOM 683 H GLU A 41 5.499 14.042 4.533 1.00 0.00 H ATOM 684 HA GLU A 41 5.127 14.614 7.342 1.00 0.00 H ATOM 685 1HB GLU A 41 3.594 15.478 4.866 1.00 0.00 H ATOM 686 2HB GLU A 41 3.235 16.060 6.486 1.00 0.00 H ATOM 687 1HG GLU A 41 5.470 17.030 6.663 1.00 0.00 H ATOM 688 2HG GLU A 41 5.891 16.393 5.074 1.00 0.00 H ATOM 689 N TYR A 42 2.991 12.634 5.840 1.00 0.00 N ATOM 690 CA TYR A 42 1.902 11.691 6.063 1.00 0.00 C ATOM 691 C TYR A 42 2.291 10.633 7.088 1.00 0.00 C ATOM 692 O TYR A 42 1.544 10.362 8.029 1.00 0.00 O ATOM 693 CB TYR A 42 1.490 11.028 4.747 1.00 0.00 C ATOM 694 CG TYR A 42 0.387 10.003 4.899 1.00 0.00 C ATOM 695 CD1 TYR A 42 -0.923 10.416 5.086 1.00 0.00 C ATOM 696 CD2 TYR A 42 0.688 8.649 4.851 1.00 0.00 C ATOM 697 CE1 TYR A 42 -1.930 9.480 5.225 1.00 0.00 C ATOM 698 CE2 TYR A 42 -0.319 7.714 4.989 1.00 0.00 C ATOM 699 CZ TYR A 42 -1.623 8.125 5.176 1.00 0.00 C ATOM 700 OH TYR A 42 -2.625 7.193 5.314 1.00 0.00 O ATOM 701 H TYR A 42 3.432 12.670 4.932 1.00 0.00 H ATOM 702 HA TYR A 42 1.039 12.241 6.439 1.00 0.00 H ATOM 703 1HB TYR A 42 1.150 11.791 4.045 1.00 0.00 H ATOM 704 2HB TYR A 42 2.353 10.535 4.302 1.00 0.00 H ATOM 705 HD1 TYR A 42 -1.159 11.480 5.124 1.00 0.00 H ATOM 706 HD2 TYR A 42 1.718 8.324 4.705 1.00 0.00 H ATOM 707 HE1 TYR A 42 -2.960 9.805 5.372 1.00 0.00 H ATOM 708 HE2 TYR A 42 -0.083 6.650 4.953 1.00 0.00 H ATOM 709 HH TYR A 42 -3.461 7.642 5.462 1.00 0.00 H ATOM 710 N LYS A 43 3.464 10.038 6.901 1.00 0.00 N ATOM 711 CA LYS A 43 3.933 8.975 7.781 1.00 0.00 C ATOM 712 C LYS A 43 4.508 9.542 9.072 1.00 0.00 C ATOM 713 O LYS A 43 5.043 10.651 9.090 1.00 0.00 O ATOM 714 OXT LYS A 43 4.444 8.907 10.088 1.00 0.00 O ATOM 715 CB LYS A 43 4.981 8.115 7.072 1.00 0.00 C ATOM 716 CG LYS A 43 4.482 7.434 5.804 1.00 0.00 C ATOM 717 CD LYS A 43 3.438 6.373 6.121 1.00 0.00 C ATOM 718 CE LYS A 43 4.081 5.113 6.683 1.00 0.00 C ATOM 719 NZ LYS A 43 3.080 4.040 6.929 1.00 0.00 N ATOM 720 H LYS A 43 4.045 10.329 6.128 1.00 0.00 H ATOM 721 HA LYS A 43 3.084 8.343 8.044 1.00 0.00 H ATOM 722 1HB LYS A 43 5.838 8.733 6.804 1.00 0.00 H ATOM 723 2HB LYS A 43 5.335 7.339 7.751 1.00 0.00 H ATOM 724 1HG LYS A 43 4.041 8.178 5.140 1.00 0.00 H ATOM 725 2HG LYS A 43 5.320 6.964 5.290 1.00 0.00 H ATOM 726 1HD LYS A 43 2.730 6.766 6.851 1.00 0.00 H ATOM 727 2HD LYS A 43 2.893 6.117 5.213 1.00 0.00 H ATOM 728 1HE LYS A 43 4.828 4.743 5.982 1.00 0.00 H ATOM 729 2HE LYS A 43 4.581 5.348 7.622 1.00 0.00 H ATOM 730 1HZ LYS A 43 3.545 3.224 7.300 1.00 0.00 H ATOM 731 2HZ LYS A 43 2.391 4.366 7.592 1.00 0.00 H ATOM 732 3HZ LYS A 43 2.623 3.800 6.061 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE nods_bigger.blueprint.34_try127_pass_20150323124721_0001_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 rama omega fa_dun p_aa_pp ref total weights 0.8 0.44 0.75 0.004 0.7 1 1.17 1.17 1.17 1.1 1 0.2 0.5 0.56 0.32 1 NA pose -182.793 13.1389 109.995 0.4068 -26.8687 0.01333 -21.8439 -2.56783 -0.74939 -9.30759 0 -5.58706 2.30112 54.2736 -4.36813 -16.0651 -90.022 ASP:NtermProteinFull_1 -3.28973 0.22627 3.2101 0.02372 -0.6898 0 0 0 -0.12616 0 0 0 0.01188 1.29451 0 -1.28682 -0.62605 GLU_2 -4.27135 0.30588 3.25071 0.00737 -0.70658 0 0 0 0 -0.54294 0 -0.15061 0.02244 2.3558 -0.09608 -1.55374 -1.37909 ASN_3 -3.9625 0.28963 2.69627 0.00353 -0.4477 0 0 0 0 0 0 0.04369 0.0984 1.09789 0.1612 -0.94198 -0.96157 GLU_4 -4.44699 0.34111 3.56682 0.00742 -1.38969 0 0 0 -0.12616 -0.49732 0 -0.16072 0.00782 2.22157 -0.10317 -1.55374 -2.13306 GLU_5 -5.70912 0.42122 4.09117 0.00459 -1.60156 0 0 0 0 -0.66274 0 -0.20807 0.00029 2.19507 -0.09626 -1.55374 -3.11915 ARG_6 -7.59788 0.46021 5.56765 0.00962 -2.4022 0 0 0 0 -1.16183 0 -0.1994 0.04244 1.77587 -0.08641 -0.14916 -3.74109 ILE_7 -5.32995 0.34647 2.03809 0.02078 -0.22221 0 0 0 0 0 0 0.00429 0.00017 0.12068 -0.13453 0.8318 -2.3244 ARG_8 -4.17329 0.22152 2.65346 0.00959 -1.02197 0 0 0 0 -0.49732 0 -0.18313 0.0011 1.65517 -0.08192 -0.14916 -1.56596 ALA_9 -4.29076 0.50651 1.85636 0.00072 -0.30884 0 0 0 0 0 0 -0.11857 0.02263 0 -0.1504 0.59294 -1.8894 PHE_10 -6.93514 0.47563 2.04066 0.02569 -0.27023 0 0 0 0 0 0 -0.04681 0.02967 1.4071 -0.00095 0.43057 -2.84382 ALA_11 -4.61457 0.43738 2.07949 0.00073 -0.39 0 0 0 0 0 0 -0.12851 0.0107 0 -0.16607 0.59294 -2.17792 LEU_12 -2.7525 0.18901 1.46455 0.00661 0.04924 0 0 0 0 0 0 -0.13046 3e-05 0.1723 -0.1264 0.60233 -0.52528 TYR_13 -4.53951 0.28725 2.71676 0.0252 -0.37422 0 0 0 0 -0.50845 0 -0.05002 0.05632 1.3486 0.00098 0.1317 -0.90539 LYS_14 -3.97667 0.19406 2.04422 0.00664 -0.67047 0 0 0 0 -0.15047 0 -0.20245 0.0687 1.20033 -0.09018 -0.28737 -1.86367 GLY_15 -1.34049 0.13126 0.90075 3e-05 0.09536 0 0 0 0 0 0 -0.09454 0.02293 0 -0.80334 0.14053 -0.94751 ILE_16 -3.6589 0.18668 1.17761 0.01658 -0.00554 0 0 0 0 0 0 0.14387 0.0893 0.05831 0.0489 0.8318 -1.11138 ASP_17 -2.58077 0.32754 1.44034 0.00333 -0.25307 2e-05 0 0 0 0 0 -0.2308 0.01423 1.49701 0.01909 -1.28682 -1.0499 PRO_18 -2.74763 0.26919 1.18641 0.00171 -0.22339 0.01331 0 0 0 0 0 -0.14392 0.11758 0.26489 -0.09355 -0.21929 -1.5747 GLU_19 -3.37735 0.30753 2.53185 0.00594 -1.03913 0 0 0 0 -0.33582 0 -0.22182 0.12419 2.35973 -0.17581 -1.55374 -1.37443 LYS_20 -4.08363 0.23923 2.49141 0.01368 -0.9803 0 0 0 0 -0.37649 0 -0.18696 0.15546 2.3909 -0.03211 -0.28737 -0.65617 ALA_21 -4.43684 0.24756 1.69341 0.00074 -0.19483 0 0 0 0 0 0 -0.15787 0.11768 0 -0.1796 0.59294 -2.31681 ARG_22 -5.92534 0.52629 4.33936 0.01546 -2.0071 0 0 0 0 -0.57201 0 -0.10792 0.01494 1.46146 -0.07452 -0.14916 -2.47854 GLU_23 -5.0553 0.41397 3.92741 0.0072 -1.91649 0 0 0 0 -0.78529 0 -0.08322 0.00133 2.09301 -0.10179 -1.55374 -3.05292 LEU_24 -5.57492 0.34594 2.43873 0.00654 -0.53305 0 0 0 0 0 0 -0.10394 0.02238 0.24201 -0.12205 0.60233 -2.67602 TRP_25 -5.40903 0.34199 2.39017 0.02415 -0.16591 0 0 0 0 0 0 -0.12661 0.00115 1.28591 -0.00537 0.92933 -0.73421 GLU_26 -3.66268 0.29828 2.55322 0.00459 -0.8006 0 0 0 0 -0.23619 0 -0.2287 0.00946 2.16971 -0.14539 -1.55374 -1.59202 ARG_27 -3.44213 0.22504 2.32145 0.00975 -0.86339 0 0 0 0 -0.4088 0 -0.22443 0.14144 1.64034 -0.10675 -0.14916 -0.85665 GLY_28 -1.5356 0.17173 0.93994 1e-05 0.07822 0 0 0 0 0 0 -0.3163 0.00045 0 -0.80332 0.14053 -1.32435 GLU_29 -2.47823 0.20756 1.42484 0.00473 0.07158 0 0 0 0 0 0 -0.19253 0.08759 1.97101 -0.03364 -1.55374 -0.49082 ILE_30 -4.88041 0.45734 1.62665 0.02117 0.03816 0 0 0 0 0 0 -0.13508 0.06391 0.83291 0.1968 0.8318 -0.94674 ASN_31 -4.27532 0.23694 3.00202 0.01522 -0.48709 0 0 0 -0.24853 0 0 -0.07867 0.48827 1.43027 -0.24703 -0.94198 -1.10589 LYS_32 -2.66322 0.13311 1.83905 0.00311 -0.11057 0 0 0 0 0 0 -0.26634 0.00077 0.71232 -0.03212 -0.28737 -0.67127 ASP_33 -2.63146 0.21155 1.91542 0.00333 -0.25803 0 0 0 0 0 0 -0.08319 0.05947 1.33473 0.064 -1.28682 -0.67099 ASP_34 -4.95167 0.23213 3.66014 0.00329 -1.32377 0 0 0 -0.24853 -0.15047 0 -0.19146 0.14094 1.37299 -0.028 -1.28682 -2.77124 GLU_35 -5.80643 0.39175 3.97844 0.00751 -0.64124 0 0 0 0 0 0 -0.10907 0.0216 2.13423 -0.10928 -1.55374 -1.68622 GLU_36 -5.10193 0.44064 4.10145 0.00963 -2.21312 0 0 0 0 -0.93458 0 -0.13156 0.04821 2.61751 -0.10753 -1.55374 -2.82502 LYS_37 -4.41171 0.29628 3.10435 0.0063 -0.71227 0 0 0 0 -0.50845 0 -0.01307 0.04308 0.8354 -0.0615 -0.28737 -1.70895 ALA_38 -4.26404 0.49917 2.00328 0.00073 -0.39634 0 0 0 0 0 0 -0.13926 0.00645 0 -0.17051 0.59294 -1.86756 TRP_39 -8.0972 0.41638 4.53149 0.0236 -0.49283 0 0 0 0 -0.38975 0 -0.16507 0.02265 1.48945 0.00089 0.92933 -1.73108 ARG_40 -4.18388 0.25101 2.80028 0.00769 -0.60921 0 0 0 0 -0.31569 0 -0.2153 0.08598 1.39295 -0.08555 -0.14916 -1.02087 GLU_41 -3.03774 0.17506 2.3179 0.00459 -0.11878 0 0 0 0 0 0 -0.2333 0.00192 2.09989 -0.1731 -1.55374 -0.5173 TYR_42 -3.65065 0.27138 1.51406 0.02562 0.17391 0 0 0 0 0 0 -0.01926 0.02518 1.30317 -0.03576 0.1317 -0.26066 LYS:CtermProteinFull_43 -3.63892 0.18419 2.56762 0.00837 -0.53364 0 0 0 0 -0.27298 0 0 0 2.43858 0 -0.28737 0.46585 #END_POSE_ENERGIES_TABLE nods_bigger.blueprint.34_try127_pass_20150323124721_0001_0001.pdb AlaCount 4 bb -0.0597031 buried_minus_exposed 3735.33 buried_np 5300.17 buried_over_exposed 3.38703 cavity_volume 0 contact_all 334 contact_core_SASA 334 contact_core_SCN 167 degree 10.1163 degree_core_SASA 10.1163 degree_core_SCN 10.1163 exposed_hydrophobics 1564.83 holes 0.908313 mismatch_probability 0.153045 one_core_each 1 pack 0.654099 percent_core_SASA 0.0697512 percent_core_SCN 0.116252 res_count_core_SASA 3 res_count_core_SCN 5 ss_sc 0.76994 two_core_each 0.333333 unsat_hbond 4
HHH_rd1_0598.pdb
ATOM 1 N THR A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA THR A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C THR A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O THR A 1 1.316 2.365 -0.378 1.00 0.00 O ATOM 5 CB THR A 1 2.012 -0.770 -1.213 1.00 0.00 C ATOM 6 OG1 THR A 1 1.659 -0.083 -2.421 1.00 0.00 O ATOM 7 CG2 THR A 1 1.447 -2.181 -1.253 1.00 0.00 C ATOM 8 1H THR A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 9 2H THR A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 10 3H THR A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 11 HA THR A 1 1.820 -0.555 0.878 1.00 0.00 H ATOM 12 HB THR A 1 3.099 -0.822 -1.145 1.00 0.00 H ATOM 13 HG1 THR A 1 1.125 -0.660 -2.972 1.00 0.00 H ATOM 14 1HG2 THR A 1 1.850 -2.710 -2.117 1.00 0.00 H ATOM 15 2HG2 THR A 1 1.723 -2.710 -0.341 1.00 0.00 H ATOM 16 3HG2 THR A 1 0.361 -2.136 -1.330 1.00 0.00 H ATOM 17 N GLU A 2 3.259 1.565 0.427 1.00 0.00 N ATOM 18 CA GLU A 2 3.928 2.860 0.413 1.00 0.00 C ATOM 19 C GLU A 2 4.193 3.327 -1.013 1.00 0.00 C ATOM 20 O GLU A 2 4.152 4.523 -1.302 1.00 0.00 O ATOM 21 CB GLU A 2 5.245 2.788 1.189 1.00 0.00 C ATOM 22 CG GLU A 2 5.080 2.631 2.694 1.00 0.00 C ATOM 23 CD GLU A 2 4.332 3.773 3.323 1.00 0.00 C ATOM 24 OE1 GLU A 2 4.587 4.896 2.960 1.00 0.00 O ATOM 25 OE2 GLU A 2 3.505 3.523 4.168 1.00 0.00 O ATOM 26 H GLU A 2 3.758 0.756 0.770 1.00 0.00 H ATOM 27 HA GLU A 2 3.284 3.588 0.906 1.00 0.00 H ATOM 28 1HB GLU A 2 5.835 1.945 0.827 1.00 0.00 H ATOM 29 2HB GLU A 2 5.824 3.694 1.009 1.00 0.00 H ATOM 30 1HG GLU A 2 4.542 1.705 2.895 1.00 0.00 H ATOM 31 2HG GLU A 2 6.066 2.552 3.151 1.00 0.00 H ATOM 32 N ASP A 3 4.465 2.377 -1.901 1.00 0.00 N ATOM 33 CA ASP A 3 4.642 2.680 -3.316 1.00 0.00 C ATOM 34 C ASP A 3 3.381 3.294 -3.911 1.00 0.00 C ATOM 35 O ASP A 3 3.447 4.276 -4.650 1.00 0.00 O ATOM 36 CB ASP A 3 5.015 1.414 -4.093 1.00 0.00 C ATOM 37 CG ASP A 3 6.429 0.933 -3.796 1.00 0.00 C ATOM 38 OD1 ASP A 3 7.187 1.687 -3.233 1.00 0.00 O ATOM 39 OD2 ASP A 3 6.738 -0.185 -4.136 1.00 0.00 O ATOM 40 H ASP A 3 4.550 1.421 -1.588 1.00 0.00 H ATOM 41 HA ASP A 3 5.460 3.394 -3.418 1.00 0.00 H ATOM 42 1HB ASP A 3 4.316 0.616 -3.845 1.00 0.00 H ATOM 43 2HB ASP A 3 4.929 1.605 -5.163 1.00 0.00 H ATOM 44 N ALA A 4 2.234 2.710 -3.583 1.00 0.00 N ATOM 45 CA ALA A 4 0.951 3.234 -4.036 1.00 0.00 C ATOM 46 C ALA A 4 0.723 4.651 -3.525 1.00 0.00 C ATOM 47 O ALA A 4 0.280 5.526 -4.269 1.00 0.00 O ATOM 48 CB ALA A 4 -0.182 2.322 -3.589 1.00 0.00 C ATOM 49 H ALA A 4 2.250 1.882 -3.006 1.00 0.00 H ATOM 50 HA ALA A 4 0.950 3.251 -5.127 1.00 0.00 H ATOM 51 1HB ALA A 4 -1.133 2.727 -3.935 1.00 0.00 H ATOM 52 2HB ALA A 4 -0.036 1.327 -4.010 1.00 0.00 H ATOM 53 3HB ALA A 4 -0.189 2.258 -2.502 1.00 0.00 H ATOM 54 N ARG A 5 1.028 4.871 -2.251 1.00 0.00 N ATOM 55 CA ARG A 5 0.857 6.182 -1.637 1.00 0.00 C ATOM 56 C ARG A 5 1.734 7.227 -2.315 1.00 0.00 C ATOM 57 O ARG A 5 1.276 8.324 -2.634 1.00 0.00 O ATOM 58 CB ARG A 5 1.192 6.127 -0.154 1.00 0.00 C ATOM 59 CG ARG A 5 1.008 7.439 0.592 1.00 0.00 C ATOM 60 CD ARG A 5 1.330 7.300 2.035 1.00 0.00 C ATOM 61 NE ARG A 5 2.745 7.048 2.253 1.00 0.00 N ATOM 62 CZ ARG A 5 3.705 7.992 2.218 1.00 0.00 C ATOM 63 NH1 ARG A 5 3.387 9.244 1.972 1.00 0.00 N ATOM 64 NH2 ARG A 5 4.967 7.661 2.429 1.00 0.00 N ATOM 65 H ARG A 5 1.388 4.110 -1.693 1.00 0.00 H ATOM 66 HA ARG A 5 -0.187 6.480 -1.744 1.00 0.00 H ATOM 67 1HB ARG A 5 0.566 5.381 0.333 1.00 0.00 H ATOM 68 2HB ARG A 5 2.229 5.818 -0.027 1.00 0.00 H ATOM 69 1HG ARG A 5 1.666 8.196 0.165 1.00 0.00 H ATOM 70 2HG ARG A 5 -0.028 7.767 0.502 1.00 0.00 H ATOM 71 1HD ARG A 5 1.063 8.218 2.558 1.00 0.00 H ATOM 72 2HD ARG A 5 0.767 6.467 2.455 1.00 0.00 H ATOM 73 HE ARG A 5 3.029 6.096 2.445 1.00 0.00 H ATOM 74 1HH1 ARG A 5 2.423 9.497 1.810 1.00 0.00 H ATOM 75 2HH1 ARG A 5 4.106 9.952 1.945 1.00 0.00 H ATOM 76 1HH2 ARG A 5 5.212 6.698 2.618 1.00 0.00 H ATOM 77 2HH2 ARG A 5 5.686 8.368 2.403 1.00 0.00 H ATOM 78 N LYS A 6 2.998 6.879 -2.533 1.00 0.00 N ATOM 79 CA LYS A 6 3.958 7.806 -3.120 1.00 0.00 C ATOM 80 C LYS A 6 3.559 8.186 -4.540 1.00 0.00 C ATOM 81 O LYS A 6 3.611 9.357 -4.917 1.00 0.00 O ATOM 82 CB LYS A 6 5.362 7.201 -3.112 1.00 0.00 C ATOM 83 CG LYS A 6 6.004 7.118 -1.733 1.00 0.00 C ATOM 84 CD LYS A 6 7.377 6.467 -1.801 1.00 0.00 C ATOM 85 CE LYS A 6 8.011 6.366 -0.421 1.00 0.00 C ATOM 86 NZ LYS A 6 9.352 5.721 -0.471 1.00 0.00 N ATOM 87 H LYS A 6 3.302 5.948 -2.286 1.00 0.00 H ATOM 88 HA LYS A 6 3.982 8.710 -2.510 1.00 0.00 H ATOM 89 1HB LYS A 6 5.326 6.192 -3.525 1.00 0.00 H ATOM 90 2HB LYS A 6 6.017 7.793 -3.751 1.00 0.00 H ATOM 91 1HG LYS A 6 6.106 8.121 -1.318 1.00 0.00 H ATOM 92 2HG LYS A 6 5.367 6.533 -1.070 1.00 0.00 H ATOM 93 1HD LYS A 6 7.285 5.466 -2.224 1.00 0.00 H ATOM 94 2HD LYS A 6 8.028 7.057 -2.446 1.00 0.00 H ATOM 95 1HE LYS A 6 8.116 7.362 0.005 1.00 0.00 H ATOM 96 2HE LYS A 6 7.365 5.781 0.234 1.00 0.00 H ATOM 97 1HZ LYS A 6 9.737 5.673 0.462 1.00 0.00 H ATOM 98 2HZ LYS A 6 9.263 4.788 -0.848 1.00 0.00 H ATOM 99 3HZ LYS A 6 9.965 6.265 -1.060 1.00 0.00 H ATOM 100 N GLU A 7 3.162 7.190 -5.324 1.00 0.00 N ATOM 101 CA GLU A 7 2.753 7.418 -6.705 1.00 0.00 C ATOM 102 C GLU A 7 1.431 8.171 -6.771 1.00 0.00 C ATOM 103 O GLU A 7 1.209 8.976 -7.675 1.00 0.00 O ATOM 104 CB GLU A 7 2.632 6.087 -7.452 1.00 0.00 C ATOM 105 CG GLU A 7 3.955 5.371 -7.679 1.00 0.00 C ATOM 106 CD GLU A 7 4.920 6.173 -8.507 1.00 0.00 C ATOM 107 OE1 GLU A 7 4.512 6.705 -9.511 1.00 0.00 O ATOM 108 OE2 GLU A 7 6.067 6.254 -8.134 1.00 0.00 O ATOM 109 H GLU A 7 3.142 6.250 -4.954 1.00 0.00 H ATOM 110 HA GLU A 7 3.521 8.015 -7.199 1.00 0.00 H ATOM 111 1HB GLU A 7 1.979 5.415 -6.894 1.00 0.00 H ATOM 112 2HB GLU A 7 2.172 6.257 -8.425 1.00 0.00 H ATOM 113 1HG GLU A 7 4.412 5.159 -6.713 1.00 0.00 H ATOM 114 2HG GLU A 7 3.761 4.421 -8.174 1.00 0.00 H ATOM 115 N ALA A 8 0.555 7.904 -5.808 1.00 0.00 N ATOM 116 CA ALA A 8 -0.694 8.645 -5.682 1.00 0.00 C ATOM 117 C ALA A 8 -0.434 10.123 -5.419 1.00 0.00 C ATOM 118 O ALA A 8 -1.119 10.989 -5.962 1.00 0.00 O ATOM 119 CB ALA A 8 -1.552 8.053 -4.573 1.00 0.00 C ATOM 120 H ALA A 8 0.760 7.169 -5.146 1.00 0.00 H ATOM 121 HA ALA A 8 -1.250 8.548 -6.616 1.00 0.00 H ATOM 122 1HB ALA A 8 -2.481 8.617 -4.491 1.00 0.00 H ATOM 123 2HB ALA A 8 -1.778 7.012 -4.803 1.00 0.00 H ATOM 124 3HB ALA A 8 -1.011 8.106 -3.629 1.00 0.00 H ATOM 125 N LYS A 9 0.560 10.404 -4.584 1.00 0.00 N ATOM 126 CA LYS A 9 0.971 11.777 -4.316 1.00 0.00 C ATOM 127 C LYS A 9 1.494 12.451 -5.578 1.00 0.00 C ATOM 128 O LYS A 9 1.198 13.617 -5.840 1.00 0.00 O ATOM 129 CB LYS A 9 2.037 11.813 -3.220 1.00 0.00 C ATOM 130 CG LYS A 9 2.531 13.210 -2.870 1.00 0.00 C ATOM 131 CD LYS A 9 1.395 14.090 -2.371 1.00 0.00 C ATOM 132 CE LYS A 9 1.921 15.288 -1.594 1.00 0.00 C ATOM 133 NZ LYS A 9 2.888 16.089 -2.393 1.00 0.00 N ATOM 134 H LYS A 9 1.043 9.647 -4.122 1.00 0.00 H ATOM 135 HA LYS A 9 0.105 12.334 -3.956 1.00 0.00 H ATOM 136 1HB LYS A 9 1.639 11.362 -2.311 1.00 0.00 H ATOM 137 2HB LYS A 9 2.898 11.221 -3.530 1.00 0.00 H ATOM 138 1HG LYS A 9 3.295 13.142 -2.094 1.00 0.00 H ATOM 139 2HG LYS A 9 2.976 13.670 -3.752 1.00 0.00 H ATOM 140 1HD LYS A 9 0.811 14.447 -3.221 1.00 0.00 H ATOM 141 2HD LYS A 9 0.741 13.508 -1.723 1.00 0.00 H ATOM 142 1HE LYS A 9 1.089 15.928 -1.305 1.00 0.00 H ATOM 143 2HE LYS A 9 2.418 14.943 -0.687 1.00 0.00 H ATOM 144 1HZ LYS A 9 3.213 16.872 -1.843 1.00 0.00 H ATOM 145 2HZ LYS A 9 3.674 15.510 -2.652 1.00 0.00 H ATOM 146 3HZ LYS A 9 2.433 16.431 -3.228 1.00 0.00 H ATOM 147 N LYS A 10 2.274 11.710 -6.358 1.00 0.00 N ATOM 148 CA LYS A 10 2.793 12.215 -7.624 1.00 0.00 C ATOM 149 C LYS A 10 1.662 12.632 -8.556 1.00 0.00 C ATOM 150 O LYS A 10 1.744 13.662 -9.224 1.00 0.00 O ATOM 151 CB LYS A 10 3.672 11.162 -8.301 1.00 0.00 C ATOM 152 CG LYS A 10 5.005 10.915 -7.608 1.00 0.00 C ATOM 153 CD LYS A 10 5.809 9.840 -8.323 1.00 0.00 C ATOM 154 CE LYS A 10 7.099 9.525 -7.580 1.00 0.00 C ATOM 155 NZ LYS A 10 7.869 8.435 -8.238 1.00 0.00 N ATOM 156 H LYS A 10 2.514 10.773 -6.067 1.00 0.00 H ATOM 157 HA LYS A 10 3.416 13.086 -7.420 1.00 0.00 H ATOM 158 1HB LYS A 10 3.136 10.213 -8.343 1.00 0.00 H ATOM 159 2HB LYS A 10 3.879 11.467 -9.327 1.00 0.00 H ATOM 160 1HG LYS A 10 5.584 11.839 -7.592 1.00 0.00 H ATOM 161 2HG LYS A 10 4.828 10.601 -6.580 1.00 0.00 H ATOM 162 1HD LYS A 10 5.212 8.930 -8.400 1.00 0.00 H ATOM 163 2HD LYS A 10 6.055 10.179 -9.330 1.00 0.00 H ATOM 164 1HE LYS A 10 7.720 10.418 -7.536 1.00 0.00 H ATOM 165 2HE LYS A 10 6.865 9.222 -6.559 1.00 0.00 H ATOM 166 1HZ LYS A 10 8.715 8.257 -7.715 1.00 0.00 H ATOM 167 2HZ LYS A 10 7.308 7.595 -8.267 1.00 0.00 H ATOM 168 3HZ LYS A 10 8.108 8.713 -9.179 1.00 0.00 H ATOM 169 N ILE A 11 0.608 11.825 -8.596 1.00 0.00 N ATOM 170 CA ILE A 11 -0.572 12.144 -9.391 1.00 0.00 C ATOM 171 C ILE A 11 -1.166 13.486 -8.982 1.00 0.00 C ATOM 172 O ILE A 11 -1.493 14.315 -9.830 1.00 0.00 O ATOM 173 CB ILE A 11 -1.641 11.045 -9.253 1.00 0.00 C ATOM 174 CG1 ILE A 11 -1.169 9.753 -9.924 1.00 0.00 C ATOM 175 CG2 ILE A 11 -2.960 11.508 -9.853 1.00 0.00 C ATOM 176 CD1 ILE A 11 -2.020 8.547 -9.596 1.00 0.00 C ATOM 177 H ILE A 11 0.623 10.968 -8.061 1.00 0.00 H ATOM 178 HA ILE A 11 -0.278 12.197 -10.440 1.00 0.00 H ATOM 179 HB ILE A 11 -1.793 10.816 -8.199 1.00 0.00 H ATOM 180 1HG1 ILE A 11 -1.166 9.884 -11.006 1.00 0.00 H ATOM 181 2HG1 ILE A 11 -0.144 9.538 -9.619 1.00 0.00 H ATOM 182 1HG2 ILE A 11 -3.705 10.719 -9.748 1.00 0.00 H ATOM 183 2HG2 ILE A 11 -3.302 12.402 -9.333 1.00 0.00 H ATOM 184 3HG2 ILE A 11 -2.819 11.735 -10.910 1.00 0.00 H ATOM 185 1HD1 ILE A 11 -1.622 7.671 -10.107 1.00 0.00 H ATOM 186 2HD1 ILE A 11 -2.008 8.376 -8.519 1.00 0.00 H ATOM 187 3HD1 ILE A 11 -3.043 8.725 -9.924 1.00 0.00 H ATOM 188 N ILE A 12 -1.302 13.693 -7.677 1.00 0.00 N ATOM 189 CA ILE A 12 -1.783 14.964 -7.149 1.00 0.00 C ATOM 190 C ILE A 12 -0.837 16.103 -7.508 1.00 0.00 C ATOM 191 O ILE A 12 -1.274 17.186 -7.899 1.00 0.00 O ATOM 192 CB ILE A 12 -1.949 14.897 -5.620 1.00 0.00 C ATOM 193 CG1 ILE A 12 -3.077 13.931 -5.247 1.00 0.00 C ATOM 194 CG2 ILE A 12 -2.220 16.282 -5.052 1.00 0.00 C ATOM 195 CD1 ILE A 12 -3.120 13.580 -3.778 1.00 0.00 C ATOM 196 H ILE A 12 -1.066 12.951 -7.033 1.00 0.00 H ATOM 197 HA ILE A 12 -2.761 15.172 -7.584 1.00 0.00 H ATOM 198 HB ILE A 12 -1.037 14.503 -5.172 1.00 0.00 H ATOM 199 1HG1 ILE A 12 -4.036 14.370 -5.521 1.00 0.00 H ATOM 200 2HG1 ILE A 12 -2.967 13.007 -5.815 1.00 0.00 H ATOM 201 1HG2 ILE A 12 -2.335 16.216 -3.971 1.00 0.00 H ATOM 202 2HG2 ILE A 12 -1.386 16.941 -5.289 1.00 0.00 H ATOM 203 3HG2 ILE A 12 -3.134 16.682 -5.491 1.00 0.00 H ATOM 204 1HD1 ILE A 12 -3.945 12.892 -3.592 1.00 0.00 H ATOM 205 2HD1 ILE A 12 -2.181 13.106 -3.489 1.00 0.00 H ATOM 206 3HD1 ILE A 12 -3.265 14.486 -3.191 1.00 0.00 H ATOM 207 N ASP A 13 0.461 15.852 -7.374 1.00 0.00 N ATOM 208 CA ASP A 13 1.471 16.864 -7.658 1.00 0.00 C ATOM 209 C ASP A 13 1.487 17.225 -9.138 1.00 0.00 C ATOM 210 O ASP A 13 1.925 18.311 -9.517 1.00 0.00 O ATOM 211 CB ASP A 13 2.856 16.375 -7.231 1.00 0.00 C ATOM 212 CG ASP A 13 3.019 16.302 -5.718 1.00 0.00 C ATOM 213 OD1 ASP A 13 2.200 16.859 -5.025 1.00 0.00 O ATOM 214 OD2 ASP A 13 3.959 15.691 -5.271 1.00 0.00 O ATOM 215 H ASP A 13 0.756 14.936 -7.066 1.00 0.00 H ATOM 216 HA ASP A 13 1.234 17.760 -7.083 1.00 0.00 H ATOM 217 1HB ASP A 13 3.038 15.385 -7.649 1.00 0.00 H ATOM 218 2HB ASP A 13 3.618 17.045 -7.632 1.00 0.00 H ATOM 219 N ASN A 14 1.007 16.308 -9.971 1.00 0.00 N ATOM 220 CA ASN A 14 0.940 16.538 -11.409 1.00 0.00 C ATOM 221 C ASN A 14 -0.341 17.268 -11.791 1.00 0.00 C ATOM 222 O ASN A 14 -0.613 17.489 -12.971 1.00 0.00 O ATOM 223 CB ASN A 14 1.054 15.228 -12.166 1.00 0.00 C ATOM 224 CG ASN A 14 2.438 14.644 -12.106 1.00 0.00 C ATOM 225 OD1 ASN A 14 3.431 15.377 -12.018 1.00 0.00 O ATOM 226 ND2 ASN A 14 2.525 13.339 -12.153 1.00 0.00 N ATOM 227 H ASN A 14 0.680 15.428 -9.598 1.00 0.00 H ATOM 228 HA ASN A 14 1.791 17.155 -11.700 1.00 0.00 H ATOM 229 1HB ASN A 14 0.350 14.505 -11.751 1.00 0.00 H ATOM 230 2HB ASN A 14 0.783 15.386 -13.210 1.00 0.00 H ATOM 231 1HD2 ASN A 14 3.421 12.896 -12.117 1.00 0.00 H ATOM 232 2HD2 ASN A 14 1.695 12.786 -12.224 1.00 0.00 H ATOM 233 N GLY A 15 -1.125 17.642 -10.785 1.00 0.00 N ATOM 234 CA GLY A 15 -2.343 18.412 -11.008 1.00 0.00 C ATOM 235 C GLY A 15 -3.575 17.518 -10.971 1.00 0.00 C ATOM 236 O GLY A 15 -4.657 17.917 -11.400 1.00 0.00 O ATOM 237 H GLY A 15 -0.871 17.386 -9.842 1.00 0.00 H ATOM 238 1HA GLY A 15 -2.428 19.188 -10.247 1.00 0.00 H ATOM 239 2HA GLY A 15 -2.283 18.915 -11.973 1.00 0.00 H ATOM 240 N GLY A 16 -3.405 16.306 -10.454 1.00 0.00 N ATOM 241 CA GLY A 16 -4.510 15.362 -10.332 1.00 0.00 C ATOM 242 C GLY A 16 -5.308 15.610 -9.059 1.00 0.00 C ATOM 243 O GLY A 16 -4.895 16.385 -8.197 1.00 0.00 O ATOM 244 H GLY A 16 -2.486 16.031 -10.136 1.00 0.00 H ATOM 245 1HA GLY A 16 -5.163 15.454 -11.200 1.00 0.00 H ATOM 246 2HA GLY A 16 -4.120 14.345 -10.330 1.00 0.00 H ATOM 247 N SER A 17 -6.455 14.947 -8.948 1.00 0.00 N ATOM 248 CA SER A 17 -7.308 15.085 -7.774 1.00 0.00 C ATOM 249 C SER A 17 -7.009 14.002 -6.745 1.00 0.00 C ATOM 250 O SER A 17 -6.744 12.853 -7.098 1.00 0.00 O ATOM 251 CB SER A 17 -8.768 15.021 -8.179 1.00 0.00 C ATOM 252 OG SER A 17 -9.601 14.988 -7.053 1.00 0.00 O ATOM 253 H SER A 17 -6.742 14.332 -9.695 1.00 0.00 H ATOM 254 HA SER A 17 -7.111 16.055 -7.315 1.00 0.00 H ATOM 255 1HB SER A 17 -9.014 15.888 -8.791 1.00 0.00 H ATOM 256 2HB SER A 17 -8.938 14.133 -8.786 1.00 0.00 H ATOM 257 HG SER A 17 -10.359 15.537 -7.268 1.00 0.00 H ATOM 258 N PRO A 18 -7.054 14.375 -5.470 1.00 0.00 N ATOM 259 CA PRO A 18 -6.888 13.416 -4.385 1.00 0.00 C ATOM 260 C PRO A 18 -7.840 12.238 -4.541 1.00 0.00 C ATOM 261 O PRO A 18 -7.516 11.111 -4.164 1.00 0.00 O ATOM 262 CB PRO A 18 -7.215 14.246 -3.139 1.00 0.00 C ATOM 263 CG PRO A 18 -6.854 15.640 -3.523 1.00 0.00 C ATOM 264 CD PRO A 18 -7.273 15.752 -4.965 1.00 0.00 C ATOM 265 HA PRO A 18 -5.863 13.043 -4.406 1.00 0.00 H ATOM 266 1HB PRO A 18 -8.279 14.136 -2.883 1.00 0.00 H ATOM 267 2HB PRO A 18 -6.637 13.876 -2.279 1.00 0.00 H ATOM 268 1HG PRO A 18 -7.374 16.359 -2.873 1.00 0.00 H ATOM 269 2HG PRO A 18 -5.776 15.806 -3.381 1.00 0.00 H ATOM 270 1HD PRO A 18 -8.332 16.046 -5.017 1.00 0.00 H ATOM 271 2HD PRO A 18 -6.639 16.492 -5.475 1.00 0.00 H ATOM 272 N ASP A 19 -9.016 12.503 -5.099 1.00 0.00 N ATOM 273 CA ASP A 19 -10.008 11.460 -5.331 1.00 0.00 C ATOM 274 C ASP A 19 -9.518 10.456 -6.367 1.00 0.00 C ATOM 275 O ASP A 19 -9.679 9.247 -6.198 1.00 0.00 O ATOM 276 CB ASP A 19 -11.333 12.072 -5.791 1.00 0.00 C ATOM 277 CG ASP A 19 -12.078 12.783 -4.669 1.00 0.00 C ATOM 278 OD1 ASP A 19 -11.812 12.491 -3.527 1.00 0.00 O ATOM 279 OD2 ASP A 19 -12.907 13.611 -4.965 1.00 0.00 O ATOM 280 H ASP A 19 -9.229 13.453 -5.369 1.00 0.00 H ATOM 281 HA ASP A 19 -10.184 10.935 -4.391 1.00 0.00 H ATOM 282 1HB ASP A 19 -11.145 12.786 -6.593 1.00 0.00 H ATOM 283 2HB ASP A 19 -11.975 11.288 -6.194 1.00 0.00 H ATOM 284 N GLU A 20 -8.921 10.964 -7.439 1.00 0.00 N ATOM 285 CA GLU A 20 -8.359 10.110 -8.479 1.00 0.00 C ATOM 286 C GLU A 20 -7.106 9.396 -7.988 1.00 0.00 C ATOM 287 O GLU A 20 -6.826 8.267 -8.389 1.00 0.00 O ATOM 288 CB GLU A 20 -8.033 10.934 -9.727 1.00 0.00 C ATOM 289 CG GLU A 20 -9.248 11.540 -10.415 1.00 0.00 C ATOM 290 CD GLU A 20 -10.232 10.505 -10.884 1.00 0.00 C ATOM 291 OE1 GLU A 20 -9.818 9.562 -11.514 1.00 0.00 O ATOM 292 OE2 GLU A 20 -11.399 10.658 -10.611 1.00 0.00 O ATOM 293 H GLU A 20 -8.855 11.967 -7.537 1.00 0.00 H ATOM 294 HA GLU A 20 -9.103 9.361 -8.752 1.00 0.00 H ATOM 295 1HB GLU A 20 -7.359 11.748 -9.460 1.00 0.00 H ATOM 296 2HB GLU A 20 -7.516 10.306 -10.453 1.00 0.00 H ATOM 297 1HG GLU A 20 -9.749 12.212 -9.719 1.00 0.00 H ATOM 298 2HG GLU A 20 -8.913 12.129 -11.268 1.00 0.00 H ATOM 299 N ALA A 21 -6.354 10.063 -7.119 1.00 0.00 N ATOM 300 CA ALA A 21 -5.189 9.453 -6.489 1.00 0.00 C ATOM 301 C ALA A 21 -5.588 8.262 -5.628 1.00 0.00 C ATOM 302 O ALA A 21 -4.889 7.249 -5.590 1.00 0.00 O ATOM 303 CB ALA A 21 -4.439 10.482 -5.654 1.00 0.00 C ATOM 304 H ALA A 21 -6.596 11.016 -6.888 1.00 0.00 H ATOM 305 HA ALA A 21 -4.513 9.108 -7.272 1.00 0.00 H ATOM 306 1HB ALA A 21 -3.572 10.012 -5.191 1.00 0.00 H ATOM 307 2HB ALA A 21 -4.109 11.300 -6.295 1.00 0.00 H ATOM 308 3HB ALA A 21 -5.098 10.871 -4.880 1.00 0.00 H ATOM 309 N ALA A 22 -6.716 8.389 -4.937 1.00 0.00 N ATOM 310 CA ALA A 22 -7.276 7.281 -4.173 1.00 0.00 C ATOM 311 C ALA A 22 -7.678 6.130 -5.087 1.00 0.00 C ATOM 312 O ALA A 22 -7.423 4.965 -4.783 1.00 0.00 O ATOM 313 CB ALA A 22 -8.471 7.750 -3.356 1.00 0.00 C ATOM 314 H ALA A 22 -7.198 9.277 -4.941 1.00 0.00 H ATOM 315 HA ALA A 22 -6.518 6.924 -3.475 1.00 0.00 H ATOM 316 1HB ALA A 22 -8.878 6.911 -2.792 1.00 0.00 H ATOM 317 2HB ALA A 22 -8.155 8.532 -2.666 1.00 0.00 H ATOM 318 3HB ALA A 22 -9.236 8.143 -4.024 1.00 0.00 H ATOM 319 N LYS A 23 -8.309 6.464 -6.208 1.00 0.00 N ATOM 320 CA LYS A 23 -8.701 5.464 -7.194 1.00 0.00 C ATOM 321 C LYS A 23 -7.494 4.681 -7.694 1.00 0.00 C ATOM 322 O LYS A 23 -7.569 3.470 -7.898 1.00 0.00 O ATOM 323 CB LYS A 23 -9.423 6.125 -8.369 1.00 0.00 C ATOM 324 CG LYS A 23 -10.811 6.657 -8.036 1.00 0.00 C ATOM 325 CD LYS A 23 -11.447 7.334 -9.241 1.00 0.00 C ATOM 326 CE LYS A 23 -12.785 7.962 -8.882 1.00 0.00 C ATOM 327 NZ LYS A 23 -13.384 8.693 -10.032 1.00 0.00 N ATOM 328 H LYS A 23 -8.522 7.436 -6.381 1.00 0.00 H ATOM 329 HA LYS A 23 -9.398 4.770 -6.724 1.00 0.00 H ATOM 330 1HB LYS A 23 -8.826 6.958 -8.741 1.00 0.00 H ATOM 331 2HB LYS A 23 -9.526 5.407 -9.183 1.00 0.00 H ATOM 332 1HG LYS A 23 -11.449 5.833 -7.715 1.00 0.00 H ATOM 333 2HG LYS A 23 -10.739 7.376 -7.222 1.00 0.00 H ATOM 334 1HD LYS A 23 -10.779 8.111 -9.616 1.00 0.00 H ATOM 335 2HD LYS A 23 -11.601 6.600 -10.032 1.00 0.00 H ATOM 336 1HE LYS A 23 -13.477 7.184 -8.562 1.00 0.00 H ATOM 337 2HE LYS A 23 -12.650 8.659 -8.055 1.00 0.00 H ATOM 338 1HZ LYS A 23 -14.268 9.094 -9.753 1.00 0.00 H ATOM 339 2HZ LYS A 23 -12.758 9.430 -10.325 1.00 0.00 H ATOM 340 3HZ LYS A 23 -13.532 8.052 -10.798 1.00 0.00 H ATOM 341 N PHE A 24 -6.381 5.380 -7.889 1.00 0.00 N ATOM 342 CA PHE A 24 -5.124 4.735 -8.249 1.00 0.00 C ATOM 343 C PHE A 24 -4.729 3.686 -7.218 1.00 0.00 C ATOM 344 O PHE A 24 -4.427 2.544 -7.564 1.00 0.00 O ATOM 345 CB PHE A 24 -4.008 5.774 -8.381 1.00 0.00 C ATOM 346 CG PHE A 24 -2.637 5.176 -8.514 1.00 0.00 C ATOM 347 CD1 PHE A 24 -2.194 4.684 -9.733 1.00 0.00 C ATOM 348 CD2 PHE A 24 -1.786 5.104 -7.421 1.00 0.00 C ATOM 349 CE1 PHE A 24 -0.932 4.134 -9.857 1.00 0.00 C ATOM 350 CE2 PHE A 24 -0.524 4.556 -7.542 1.00 0.00 C ATOM 351 CZ PHE A 24 -0.097 4.070 -8.762 1.00 0.00 C ATOM 352 H PHE A 24 -6.406 6.385 -7.786 1.00 0.00 H ATOM 353 HA PHE A 24 -5.250 4.245 -9.215 1.00 0.00 H ATOM 354 1HB PHE A 24 -4.194 6.398 -9.254 1.00 0.00 H ATOM 355 2HB PHE A 24 -4.013 6.424 -7.507 1.00 0.00 H ATOM 356 HD1 PHE A 24 -2.854 4.736 -10.599 1.00 0.00 H ATOM 357 HD2 PHE A 24 -2.124 5.488 -6.457 1.00 0.00 H ATOM 358 HE1 PHE A 24 -0.598 3.751 -10.820 1.00 0.00 H ATOM 359 HE2 PHE A 24 0.135 4.506 -6.675 1.00 0.00 H ATOM 360 HZ PHE A 24 0.897 3.636 -8.858 1.00 0.00 H ATOM 361 N ILE A 25 -4.733 4.080 -5.949 1.00 0.00 N ATOM 362 CA ILE A 25 -4.361 3.178 -4.865 1.00 0.00 C ATOM 363 C ILE A 25 -5.287 1.971 -4.811 1.00 0.00 C ATOM 364 O ILE A 25 -4.855 0.857 -4.513 1.00 0.00 O ATOM 365 CB ILE A 25 -4.388 3.908 -3.510 1.00 0.00 C ATOM 366 CG1 ILE A 25 -3.275 4.957 -3.446 1.00 0.00 C ATOM 367 CG2 ILE A 25 -4.252 2.913 -2.367 1.00 0.00 C ATOM 368 CD1 ILE A 25 -3.387 5.896 -2.266 1.00 0.00 C ATOM 369 H ILE A 25 -5.000 5.029 -5.729 1.00 0.00 H ATOM 370 HA ILE A 25 -3.342 2.830 -5.039 1.00 0.00 H ATOM 371 HB ILE A 25 -5.331 4.443 -3.403 1.00 0.00 H ATOM 372 1HG1 ILE A 25 -2.307 4.458 -3.394 1.00 0.00 H ATOM 373 2HG1 ILE A 25 -3.285 5.555 -4.358 1.00 0.00 H ATOM 374 1HG2 ILE A 25 -4.272 3.446 -1.417 1.00 0.00 H ATOM 375 2HG2 ILE A 25 -5.078 2.204 -2.403 1.00 0.00 H ATOM 376 3HG2 ILE A 25 -3.308 2.376 -2.462 1.00 0.00 H ATOM 377 1HD1 ILE A 25 -2.564 6.610 -2.290 1.00 0.00 H ATOM 378 2HD1 ILE A 25 -4.335 6.433 -2.317 1.00 0.00 H ATOM 379 3HD1 ILE A 25 -3.343 5.323 -1.341 1.00 0.00 H ATOM 380 N LYS A 26 -6.564 2.197 -5.101 1.00 0.00 N ATOM 381 CA LYS A 26 -7.561 1.135 -5.051 1.00 0.00 C ATOM 382 C LYS A 26 -7.230 0.021 -6.036 1.00 0.00 C ATOM 383 O LYS A 26 -7.675 -1.115 -5.875 1.00 0.00 O ATOM 384 CB LYS A 26 -8.955 1.695 -5.340 1.00 0.00 C ATOM 385 CG LYS A 26 -9.548 2.523 -4.208 1.00 0.00 C ATOM 386 CD LYS A 26 -10.862 3.167 -4.624 1.00 0.00 C ATOM 387 CE LYS A 26 -11.969 2.132 -4.759 1.00 0.00 C ATOM 388 NZ LYS A 26 -13.280 2.758 -5.081 1.00 0.00 N ATOM 389 H LYS A 26 -6.851 3.130 -5.363 1.00 0.00 H ATOM 390 HA LYS A 26 -7.573 0.719 -4.043 1.00 0.00 H ATOM 391 1HB LYS A 26 -8.917 2.323 -6.231 1.00 0.00 H ATOM 392 2HB LYS A 26 -9.641 0.873 -5.549 1.00 0.00 H ATOM 393 1HG LYS A 26 -9.724 1.884 -3.343 1.00 0.00 H ATOM 394 2HG LYS A 26 -8.844 3.305 -3.923 1.00 0.00 H ATOM 395 1HD LYS A 26 -11.156 3.908 -3.879 1.00 0.00 H ATOM 396 2HD LYS A 26 -10.732 3.673 -5.581 1.00 0.00 H ATOM 397 1HE LYS A 26 -11.713 1.427 -5.548 1.00 0.00 H ATOM 398 2HE LYS A 26 -12.065 1.579 -3.825 1.00 0.00 H ATOM 399 1HZ LYS A 26 -13.986 2.039 -5.161 1.00 0.00 H ATOM 400 2HZ LYS A 26 -13.537 3.401 -4.345 1.00 0.00 H ATOM 401 3HZ LYS A 26 -13.209 3.258 -5.955 1.00 0.00 H ATOM 402 N LYS A 27 -6.445 0.354 -7.055 1.00 0.00 N ATOM 403 CA LYS A 27 -6.100 -0.603 -8.100 1.00 0.00 C ATOM 404 C LYS A 27 -5.173 -1.688 -7.569 1.00 0.00 C ATOM 405 O LYS A 27 -4.940 -2.699 -8.233 1.00 0.00 O ATOM 406 CB LYS A 27 -5.449 0.111 -9.286 1.00 0.00 C ATOM 407 CG LYS A 27 -6.384 1.038 -10.052 1.00 0.00 C ATOM 408 CD LYS A 27 -5.662 1.722 -11.204 1.00 0.00 C ATOM 409 CE LYS A 27 -6.597 2.639 -11.978 1.00 0.00 C ATOM 410 NZ LYS A 27 -5.908 3.303 -13.118 1.00 0.00 N ATOM 411 H LYS A 27 -6.078 1.293 -7.108 1.00 0.00 H ATOM 412 HA LYS A 27 -7.018 -1.071 -8.458 1.00 0.00 H ATOM 413 1HB LYS A 27 -4.604 0.704 -8.935 1.00 0.00 H ATOM 414 2HB LYS A 27 -5.062 -0.628 -9.988 1.00 0.00 H ATOM 415 1HG LYS A 27 -7.221 0.463 -10.450 1.00 0.00 H ATOM 416 2HG LYS A 27 -6.776 1.798 -9.378 1.00 0.00 H ATOM 417 1HD LYS A 27 -4.830 2.310 -10.814 1.00 0.00 H ATOM 418 2HD LYS A 27 -5.264 0.968 -11.883 1.00 0.00 H ATOM 419 1HE LYS A 27 -7.436 2.062 -12.363 1.00 0.00 H ATOM 420 2HE LYS A 27 -6.989 3.407 -11.310 1.00 0.00 H ATOM 421 1HZ LYS A 27 -6.561 3.902 -13.604 1.00 0.00 H ATOM 422 2HZ LYS A 27 -5.139 3.858 -12.770 1.00 0.00 H ATOM 423 3HZ LYS A 27 -5.557 2.602 -13.754 1.00 0.00 H ATOM 424 N TYR A 28 -4.645 -1.473 -6.369 1.00 0.00 N ATOM 425 CA TYR A 28 -3.770 -2.450 -5.731 1.00 0.00 C ATOM 426 C TYR A 28 -4.572 -3.464 -4.925 1.00 0.00 C ATOM 427 O TYR A 28 -4.005 -4.333 -4.264 1.00 0.00 O ATOM 428 CB TYR A 28 -2.749 -1.747 -4.833 1.00 0.00 C ATOM 429 CG TYR A 28 -1.704 -0.963 -5.594 1.00 0.00 C ATOM 430 CD1 TYR A 28 -2.026 0.267 -6.148 1.00 0.00 C ATOM 431 CD2 TYR A 28 -0.423 -1.475 -5.739 1.00 0.00 C ATOM 432 CE1 TYR A 28 -1.071 0.983 -6.844 1.00 0.00 C ATOM 433 CE2 TYR A 28 0.532 -0.759 -6.435 1.00 0.00 C ATOM 434 CZ TYR A 28 0.212 0.465 -6.986 1.00 0.00 C ATOM 435 OH TYR A 28 1.163 1.178 -7.678 1.00 0.00 O ATOM 436 H TYR A 28 -4.855 -0.611 -5.887 1.00 0.00 H ATOM 437 HA TYR A 28 -3.234 -2.994 -6.508 1.00 0.00 H ATOM 438 1HB TYR A 28 -3.267 -1.061 -4.160 1.00 0.00 H ATOM 439 2HB TYR A 28 -2.238 -2.486 -4.216 1.00 0.00 H ATOM 440 HD1 TYR A 28 -3.033 0.669 -6.034 1.00 0.00 H ATOM 441 HD2 TYR A 28 -0.170 -2.442 -5.305 1.00 0.00 H ATOM 442 HE1 TYR A 28 -1.324 1.949 -7.279 1.00 0.00 H ATOM 443 HE2 TYR A 28 1.539 -1.161 -6.549 1.00 0.00 H ATOM 444 HH TYR A 28 1.986 0.684 -7.690 1.00 0.00 H ATOM 445 N GLY A 29 -5.895 -3.347 -4.986 1.00 0.00 N ATOM 446 CA GLY A 29 -6.778 -4.264 -4.275 1.00 0.00 C ATOM 447 C GLY A 29 -7.068 -3.768 -2.865 1.00 0.00 C ATOM 448 O GLY A 29 -7.329 -4.560 -1.959 1.00 0.00 O ATOM 449 H GLY A 29 -6.298 -2.604 -5.538 1.00 0.00 H ATOM 450 1HA GLY A 29 -7.712 -4.371 -4.827 1.00 0.00 H ATOM 451 2HA GLY A 29 -6.318 -5.251 -4.230 1.00 0.00 H ATOM 452 N LEU A 30 -7.020 -2.452 -2.684 1.00 0.00 N ATOM 453 CA LEU A 30 -7.212 -1.852 -1.370 1.00 0.00 C ATOM 454 C LEU A 30 -8.542 -1.113 -1.291 1.00 0.00 C ATOM 455 O LEU A 30 -9.070 -0.655 -2.305 1.00 0.00 O ATOM 456 CB LEU A 30 -6.064 -0.885 -1.056 1.00 0.00 C ATOM 457 CG LEU A 30 -4.656 -1.494 -1.080 1.00 0.00 C ATOM 458 CD1 LEU A 30 -3.623 -0.398 -0.858 1.00 0.00 C ATOM 459 CD2 LEU A 30 -4.550 -2.571 -0.010 1.00 0.00 C ATOM 460 H LEU A 30 -6.846 -1.853 -3.479 1.00 0.00 H ATOM 461 HA LEU A 30 -7.220 -2.646 -0.625 1.00 0.00 H ATOM 462 1HB LEU A 30 -6.085 -0.073 -1.780 1.00 0.00 H ATOM 463 2HB LEU A 30 -6.225 -0.464 -0.064 1.00 0.00 H ATOM 464 HG LEU A 30 -4.468 -1.936 -2.059 1.00 0.00 H ATOM 465 1HD1 LEU A 30 -2.623 -0.831 -0.875 1.00 0.00 H ATOM 466 2HD1 LEU A 30 -3.709 0.348 -1.648 1.00 0.00 H ATOM 467 3HD1 LEU A 30 -3.797 0.075 0.109 1.00 0.00 H ATOM 468 1HD2 LEU A 30 -3.550 -3.004 -0.027 1.00 0.00 H ATOM 469 2HD2 LEU A 30 -4.737 -2.129 0.970 1.00 0.00 H ATOM 470 3HD2 LEU A 30 -5.287 -3.350 -0.203 1.00 0.00 H ATOM 471 N SER A 31 -9.079 -0.999 -0.081 1.00 0.00 N ATOM 472 CA SER A 31 -10.353 -0.323 0.131 1.00 0.00 C ATOM 473 C SER A 31 -10.227 1.177 -0.101 1.00 0.00 C ATOM 474 O SER A 31 -9.184 1.771 0.170 1.00 0.00 O ATOM 475 CB SER A 31 -10.855 -0.585 1.538 1.00 0.00 C ATOM 476 OG SER A 31 -12.030 0.135 1.794 1.00 0.00 O ATOM 477 H SER A 31 -8.592 -1.390 0.712 1.00 0.00 H ATOM 478 HA SER A 31 -11.078 -0.720 -0.581 1.00 0.00 H ATOM 479 1HB SER A 31 -11.044 -1.651 1.664 1.00 0.00 H ATOM 480 2HB SER A 31 -10.088 -0.302 2.256 1.00 0.00 H ATOM 481 HG SER A 31 -12.457 -0.309 2.530 1.00 0.00 H ATOM 482 N GLU A 32 -11.296 1.785 -0.605 1.00 0.00 N ATOM 483 CA GLU A 32 -11.307 3.218 -0.873 1.00 0.00 C ATOM 484 C GLU A 32 -10.966 4.015 0.380 1.00 0.00 C ATOM 485 O GLU A 32 -10.235 5.003 0.319 1.00 0.00 O ATOM 486 CB GLU A 32 -12.675 3.650 -1.407 1.00 0.00 C ATOM 487 CG GLU A 32 -12.765 5.121 -1.788 1.00 0.00 C ATOM 488 CD GLU A 32 -14.058 5.470 -2.471 1.00 0.00 C ATOM 489 OE1 GLU A 32 -14.516 4.688 -3.270 1.00 0.00 O ATOM 490 OE2 GLU A 32 -14.588 6.520 -2.194 1.00 0.00 O ATOM 491 H GLU A 32 -12.122 1.240 -0.808 1.00 0.00 H ATOM 492 HA GLU A 32 -10.561 3.433 -1.638 1.00 0.00 H ATOM 493 1HB GLU A 32 -12.924 3.060 -2.289 1.00 0.00 H ATOM 494 2HB GLU A 32 -13.438 3.452 -0.654 1.00 0.00 H ATOM 495 1HG GLU A 32 -12.669 5.726 -0.887 1.00 0.00 H ATOM 496 2HG GLU A 32 -11.933 5.366 -2.447 1.00 0.00 H ATOM 497 N ASP A 33 -11.500 3.579 1.516 1.00 0.00 N ATOM 498 CA ASP A 33 -11.204 4.213 2.795 1.00 0.00 C ATOM 499 C ASP A 33 -9.713 4.160 3.103 1.00 0.00 C ATOM 500 O ASP A 33 -9.133 5.134 3.583 1.00 0.00 O ATOM 501 CB ASP A 33 -11.989 3.540 3.923 1.00 0.00 C ATOM 502 CG ASP A 33 -13.476 3.864 3.885 1.00 0.00 C ATOM 503 OD1 ASP A 33 -13.845 4.793 3.207 1.00 0.00 O ATOM 504 OD2 ASP A 33 -14.229 3.179 4.536 1.00 0.00 O ATOM 505 H ASP A 33 -12.128 2.789 1.493 1.00 0.00 H ATOM 506 HA ASP A 33 -11.513 5.258 2.743 1.00 0.00 H ATOM 507 1HB ASP A 33 -11.865 2.458 3.857 1.00 0.00 H ATOM 508 2HB ASP A 33 -11.587 3.856 4.886 1.00 0.00 H ATOM 509 N GLN A 34 -9.097 3.016 2.825 1.00 0.00 N ATOM 510 CA GLN A 34 -7.657 2.860 2.996 1.00 0.00 C ATOM 511 C GLN A 34 -6.888 3.754 2.033 1.00 0.00 C ATOM 512 O GLN A 34 -5.884 4.364 2.403 1.00 0.00 O ATOM 513 CB GLN A 34 -7.249 1.398 2.792 1.00 0.00 C ATOM 514 CG GLN A 34 -7.743 0.457 3.878 1.00 0.00 C ATOM 515 CD GLN A 34 -7.425 -0.995 3.573 1.00 0.00 C ATOM 516 OE1 GLN A 34 -7.612 -1.462 2.446 1.00 0.00 O ATOM 517 NE2 GLN A 34 -6.942 -1.717 4.577 1.00 0.00 N ATOM 518 H GLN A 34 -9.640 2.235 2.486 1.00 0.00 H ATOM 519 HA GLN A 34 -7.398 3.141 4.018 1.00 0.00 H ATOM 520 1HB GLN A 34 -7.635 1.043 1.837 1.00 0.00 H ATOM 521 2HB GLN A 34 -6.162 1.326 2.753 1.00 0.00 H ATOM 522 1HG GLN A 34 -7.262 0.722 4.820 1.00 0.00 H ATOM 523 2HG GLN A 34 -8.824 0.559 3.968 1.00 0.00 H ATOM 524 1HE2 GLN A 34 -6.713 -2.681 4.436 1.00 0.00 H ATOM 525 2HE2 GLN A 34 -6.806 -1.298 5.475 1.00 0.00 H ATOM 526 N ALA A 35 -7.363 3.828 0.794 1.00 0.00 N ATOM 527 CA ALA A 35 -6.732 4.665 -0.220 1.00 0.00 C ATOM 528 C ALA A 35 -6.779 6.136 0.173 1.00 0.00 C ATOM 529 O ALA A 35 -5.774 6.842 0.093 1.00 0.00 O ATOM 530 CB ALA A 35 -7.402 4.456 -1.570 1.00 0.00 C ATOM 531 H ALA A 35 -8.183 3.292 0.549 1.00 0.00 H ATOM 532 HA ALA A 35 -5.689 4.362 -0.318 1.00 0.00 H ATOM 533 1HB ALA A 35 -6.920 5.088 -2.317 1.00 0.00 H ATOM 534 2HB ALA A 35 -7.309 3.411 -1.865 1.00 0.00 H ATOM 535 3HB ALA A 35 -8.456 4.721 -1.498 1.00 0.00 H ATOM 536 N ARG A 36 -7.953 6.593 0.598 1.00 0.00 N ATOM 537 CA ARG A 36 -8.139 7.988 0.978 1.00 0.00 C ATOM 538 C ARG A 36 -7.292 8.346 2.193 1.00 0.00 C ATOM 539 O ARG A 36 -6.761 9.452 2.287 1.00 0.00 O ATOM 540 CB ARG A 36 -9.603 8.268 1.285 1.00 0.00 C ATOM 541 CG ARG A 36 -10.521 8.270 0.073 1.00 0.00 C ATOM 542 CD ARG A 36 -11.922 8.593 0.446 1.00 0.00 C ATOM 543 NE ARG A 36 -12.818 8.523 -0.697 1.00 0.00 N ATOM 544 CZ ARG A 36 -12.952 9.490 -1.625 1.00 0.00 C ATOM 545 NH1 ARG A 36 -12.243 10.593 -1.531 1.00 0.00 N ATOM 546 NH2 ARG A 36 -13.795 9.330 -2.630 1.00 0.00 N ATOM 547 H ARG A 36 -8.735 5.957 0.658 1.00 0.00 H ATOM 548 HA ARG A 36 -7.836 8.618 0.142 1.00 0.00 H ATOM 549 1HB ARG A 36 -9.978 7.519 1.981 1.00 0.00 H ATOM 550 2HB ARG A 36 -9.694 9.240 1.770 1.00 0.00 H ATOM 551 1HG ARG A 36 -10.176 9.017 -0.643 1.00 0.00 H ATOM 552 2HG ARG A 36 -10.509 7.285 -0.395 1.00 0.00 H ATOM 553 1HD ARG A 36 -12.271 7.885 1.197 1.00 0.00 H ATOM 554 2HD ARG A 36 -11.967 9.603 0.852 1.00 0.00 H ATOM 555 HE ARG A 36 -13.380 7.688 -0.803 1.00 0.00 H ATOM 556 1HH1 ARG A 36 -11.598 10.716 -0.763 1.00 0.00 H ATOM 557 2HH1 ARG A 36 -12.343 11.319 -2.227 1.00 0.00 H ATOM 558 1HH2 ARG A 36 -14.340 8.482 -2.702 1.00 0.00 H ATOM 559 2HH2 ARG A 36 -13.896 10.055 -3.325 1.00 0.00 H ATOM 560 N GLU A 37 -7.168 7.402 3.120 1.00 0.00 N ATOM 561 CA GLU A 37 -6.278 7.564 4.263 1.00 0.00 C ATOM 562 C GLU A 37 -4.845 7.820 3.814 1.00 0.00 C ATOM 563 O GLU A 37 -4.198 8.760 4.276 1.00 0.00 O ATOM 564 CB GLU A 37 -6.328 6.323 5.158 1.00 0.00 C ATOM 565 CG GLU A 37 -5.412 6.386 6.372 1.00 0.00 C ATOM 566 CD GLU A 37 -5.455 5.134 7.203 1.00 0.00 C ATOM 567 OE1 GLU A 37 -6.399 4.392 7.076 1.00 0.00 O ATOM 568 OE2 GLU A 37 -4.541 4.919 7.964 1.00 0.00 O ATOM 569 H GLU A 37 -7.705 6.551 3.031 1.00 0.00 H ATOM 570 HA GLU A 37 -6.619 8.418 4.849 1.00 0.00 H ATOM 571 1HB GLU A 37 -7.347 6.173 5.515 1.00 0.00 H ATOM 572 2HB GLU A 37 -6.052 5.444 4.576 1.00 0.00 H ATOM 573 1HG GLU A 37 -4.389 6.550 6.035 1.00 0.00 H ATOM 574 2HG GLU A 37 -5.703 7.236 6.989 1.00 0.00 H ATOM 575 N LEU A 38 -4.355 6.979 2.910 1.00 0.00 N ATOM 576 CA LEU A 38 -2.989 7.097 2.415 1.00 0.00 C ATOM 577 C LEU A 38 -2.774 8.427 1.704 1.00 0.00 C ATOM 578 O LEU A 38 -1.718 9.048 1.834 1.00 0.00 O ATOM 579 CB LEU A 38 -2.670 5.942 1.457 1.00 0.00 C ATOM 580 CG LEU A 38 -2.553 4.556 2.103 1.00 0.00 C ATOM 581 CD1 LEU A 38 -2.399 3.500 1.017 1.00 0.00 C ATOM 582 CD2 LEU A 38 -1.366 4.537 3.055 1.00 0.00 C ATOM 583 H LEU A 38 -4.944 6.238 2.556 1.00 0.00 H ATOM 584 HA LEU A 38 -2.307 7.040 3.264 1.00 0.00 H ATOM 585 1HB LEU A 38 -3.453 5.890 0.702 1.00 0.00 H ATOM 586 2HB LEU A 38 -1.725 6.156 0.957 1.00 0.00 H ATOM 587 HG LEU A 38 -3.465 4.334 2.657 1.00 0.00 H ATOM 588 1HD1 LEU A 38 -2.316 2.515 1.476 1.00 0.00 H ATOM 589 2HD1 LEU A 38 -3.271 3.522 0.362 1.00 0.00 H ATOM 590 3HD1 LEU A 38 -1.502 3.705 0.434 1.00 0.00 H ATOM 591 1HD2 LEU A 38 -1.283 3.552 3.515 1.00 0.00 H ATOM 592 2HD2 LEU A 38 -0.453 4.758 2.502 1.00 0.00 H ATOM 593 3HD2 LEU A 38 -1.510 5.289 3.831 1.00 0.00 H ATOM 594 N VAL A 39 -3.780 8.861 0.953 1.00 0.00 N ATOM 595 CA VAL A 39 -3.743 10.164 0.300 1.00 0.00 C ATOM 596 C VAL A 39 -3.622 11.289 1.320 1.00 0.00 C ATOM 597 O VAL A 39 -2.824 12.210 1.150 1.00 0.00 O ATOM 598 CB VAL A 39 -5.014 10.375 -0.545 1.00 0.00 C ATOM 599 CG1 VAL A 39 -5.111 11.820 -1.009 1.00 0.00 C ATOM 600 CG2 VAL A 39 -5.009 9.426 -1.734 1.00 0.00 C ATOM 601 H VAL A 39 -4.593 8.273 0.832 1.00 0.00 H ATOM 602 HA VAL A 39 -2.875 10.195 -0.360 1.00 0.00 H ATOM 603 HB VAL A 39 -5.888 10.177 0.075 1.00 0.00 H ATOM 604 1HG1 VAL A 39 -6.015 11.952 -1.604 1.00 0.00 H ATOM 605 2HG1 VAL A 39 -5.149 12.479 -0.141 1.00 0.00 H ATOM 606 3HG1 VAL A 39 -4.239 12.067 -1.615 1.00 0.00 H ATOM 607 1HG2 VAL A 39 -5.910 9.580 -2.326 1.00 0.00 H ATOM 608 2HG2 VAL A 39 -4.131 9.620 -2.351 1.00 0.00 H ATOM 609 3HG2 VAL A 39 -4.981 8.396 -1.377 1.00 0.00 H ATOM 610 N LYS A 40 -4.419 11.207 2.380 1.00 0.00 N ATOM 611 CA LYS A 40 -4.381 12.202 3.445 1.00 0.00 C ATOM 612 C LYS A 40 -3.034 12.197 4.156 1.00 0.00 C ATOM 613 O LYS A 40 -2.534 13.244 4.566 1.00 0.00 O ATOM 614 CB LYS A 40 -5.508 11.955 4.449 1.00 0.00 C ATOM 615 CG LYS A 40 -6.900 12.277 3.925 1.00 0.00 C ATOM 616 CD LYS A 40 -7.968 11.963 4.963 1.00 0.00 C ATOM 617 CE LYS A 40 -9.361 12.277 4.437 1.00 0.00 C ATOM 618 NZ LYS A 40 -10.417 11.959 5.436 1.00 0.00 N ATOM 619 H LYS A 40 -5.068 10.437 2.449 1.00 0.00 H ATOM 620 HA LYS A 40 -4.540 13.187 3.004 1.00 0.00 H ATOM 621 1HB LYS A 40 -5.499 10.908 4.755 1.00 0.00 H ATOM 622 2HB LYS A 40 -5.338 12.557 5.342 1.00 0.00 H ATOM 623 1HG LYS A 40 -6.956 13.336 3.668 1.00 0.00 H ATOM 624 2HG LYS A 40 -7.096 11.692 3.027 1.00 0.00 H ATOM 625 1HD LYS A 40 -7.918 10.906 5.228 1.00 0.00 H ATOM 626 2HD LYS A 40 -7.788 12.554 5.861 1.00 0.00 H ATOM 627 1HE LYS A 40 -9.424 13.334 4.183 1.00 0.00 H ATOM 628 2HE LYS A 40 -9.548 11.697 3.533 1.00 0.00 H ATOM 629 1HZ LYS A 40 -11.324 12.180 5.050 1.00 0.00 H ATOM 630 2HZ LYS A 40 -10.380 10.976 5.666 1.00 0.00 H ATOM 631 3HZ LYS A 40 -10.266 12.506 6.272 1.00 0.00 H ATOM 632 N ARG A 41 -2.452 11.011 4.300 1.00 0.00 N ATOM 633 CA ARG A 41 -1.131 10.875 4.903 1.00 0.00 C ATOM 634 C ARG A 41 -0.055 11.489 4.017 1.00 0.00 C ATOM 635 O ARG A 41 0.893 12.101 4.509 1.00 0.00 O ATOM 636 CB ARG A 41 -0.805 9.410 5.150 1.00 0.00 C ATOM 637 CG ARG A 41 -1.585 8.763 6.284 1.00 0.00 C ATOM 638 CD ARG A 41 -1.200 7.341 6.475 1.00 0.00 C ATOM 639 NE ARG A 41 -1.987 6.701 7.516 1.00 0.00 N ATOM 640 CZ ARG A 41 -1.720 6.779 8.835 1.00 0.00 C ATOM 641 NH1 ARG A 41 -0.685 7.471 9.256 1.00 0.00 N ATOM 642 NH2 ARG A 41 -2.499 6.160 9.704 1.00 0.00 N ATOM 643 H ARG A 41 -2.936 10.184 3.984 1.00 0.00 H ATOM 644 HA ARG A 41 -1.133 11.394 5.862 1.00 0.00 H ATOM 645 1HB ARG A 41 -1.001 8.835 4.246 1.00 0.00 H ATOM 646 2HB ARG A 41 0.256 9.307 5.379 1.00 0.00 H ATOM 647 1HG ARG A 41 -1.388 9.299 7.213 1.00 0.00 H ATOM 648 2HG ARG A 41 -2.652 8.803 6.061 1.00 0.00 H ATOM 649 1HD ARG A 41 -1.355 6.795 5.545 1.00 0.00 H ATOM 650 2HD ARG A 41 -0.149 7.284 6.758 1.00 0.00 H ATOM 651 HE ARG A 41 -2.792 6.160 7.231 1.00 0.00 H ATOM 652 1HH1 ARG A 41 -0.090 7.945 8.591 1.00 0.00 H ATOM 653 2HH1 ARG A 41 -0.485 7.530 10.244 1.00 0.00 H ATOM 654 1HH2 ARG A 41 -3.295 5.627 9.380 1.00 0.00 H ATOM 655 2HH2 ARG A 41 -2.299 6.218 10.692 1.00 0.00 H ATOM 656 N ALA A 42 -0.207 11.322 2.707 1.00 0.00 N ATOM 657 CA ALA A 42 0.720 11.908 1.747 1.00 0.00 C ATOM 658 C ALA A 42 0.616 13.428 1.738 1.00 0.00 C ATOM 659 O ALA A 42 1.625 14.128 1.652 1.00 0.00 O ATOM 660 CB ALA A 42 0.463 11.352 0.354 1.00 0.00 C ATOM 661 H ALA A 42 -0.986 10.775 2.368 1.00 0.00 H ATOM 662 HA ALA A 42 1.735 11.629 2.032 1.00 0.00 H ATOM 663 1HB ALA A 42 1.163 11.799 -0.351 1.00 0.00 H ATOM 664 2HB ALA A 42 0.598 10.270 0.364 1.00 0.00 H ATOM 665 3HB ALA A 42 -0.556 11.587 0.052 1.00 0.00 H ATOM 666 N LEU A 43 -0.610 13.933 1.827 1.00 0.00 N ATOM 667 CA LEU A 43 -0.848 15.371 1.826 1.00 0.00 C ATOM 668 C LEU A 43 -0.460 15.994 3.161 1.00 0.00 C ATOM 669 O LEU A 43 -0.539 15.348 4.205 1.00 0.00 O ATOM 670 OXT LEU A 43 -0.072 17.129 3.202 1.00 0.00 O ATOM 671 CB LEU A 43 -2.324 15.663 1.528 1.00 0.00 C ATOM 672 CG LEU A 43 -2.804 15.292 0.119 1.00 0.00 C ATOM 673 CD1 LEU A 43 -4.312 15.485 0.029 1.00 0.00 C ATOM 674 CD2 LEU A 43 -2.080 16.150 -0.908 1.00 0.00 C ATOM 675 H LEU A 43 -1.397 13.304 1.897 1.00 0.00 H ATOM 676 HA LEU A 43 -0.236 15.822 1.045 1.00 0.00 H ATOM 677 1HB LEU A 43 -2.937 15.117 2.242 1.00 0.00 H ATOM 678 2HB LEU A 43 -2.502 16.730 1.668 1.00 0.00 H ATOM 679 HG LEU A 43 -2.591 14.240 -0.072 1.00 0.00 H ATOM 680 1HD1 LEU A 43 -4.653 15.221 -0.972 1.00 0.00 H ATOM 681 2HD1 LEU A 43 -4.805 14.845 0.760 1.00 0.00 H ATOM 682 3HD1 LEU A 43 -4.558 16.527 0.232 1.00 0.00 H ATOM 683 1HD2 LEU A 43 -2.421 15.885 -1.909 1.00 0.00 H ATOM 684 2HD2 LEU A 43 -2.294 17.202 -0.718 1.00 0.00 H ATOM 685 3HD2 LEU A 43 -1.007 15.979 -0.833 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE nods_bigger.blueprint.44_try180_pass_20150324045750_0001_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 rama omega fa_dun p_aa_pp ref total weights 0.8 0.44 0.75 0.004 0.7 1 1.17 1.17 1.17 1.1 1 0.2 0.5 0.56 0.32 1 NA pose -164.604 17.4383 93.7276 0.2845 -20.5698 0.02521 -23.2217 -0.85359 -1.87015 -6.18822 0 -6.11419 2.02219 39.4168 -5.178 -7.60787 -83.2929 THR:NtermProteinFull_1 -2.35967 0.10753 2.31576 0.00767 -0.22526 0 0 0 -0.45211 0 0 0 0.05039 0.06217 0 0.16454 -0.32899 GLU_2 -2.96558 0.20203 2.56187 0.00544 -1.1923 0 0 0 0 -0.38177 0 -0.26344 0.10099 2.35361 -0.157 -1.55374 -1.28987 ASP_3 -2.55049 0.2518 1.78951 0.00335 -0.16572 0 0 0 0 0 0 -0.0809 0.03853 1.29819 0.05764 -1.28682 -0.64489 ALA_4 -4.30705 0.32135 2.02291 0.00073 -0.1374 0 0 0 -0.45211 0 0 -0.12979 0 0 -0.16372 0.59294 -2.25214 ARG_5 -5.80061 0.28588 3.5754 0.01382 -1.04094 0 0 0 0 -0.38177 0 -0.12333 0.03766 1.47138 -0.06767 -0.14916 -2.17934 LYS_6 -3.84912 0.28497 2.39633 0.00306 -0.31574 0 0 0 0 0 0 -0.16808 0 0.86377 -0.04257 -0.28737 -1.11475 GLU_7 -4.60975 0.44656 2.93187 0.00513 -1.18422 0 0 0 0 -0.36839 0 -0.25291 0.1719 2.3127 -0.16429 -1.55374 -2.26514 ALA_8 -4.44851 0.53424 1.91368 0.00074 -0.22479 0 0 0 0 0 0 -0.18392 0.08673 0 -0.18901 0.59294 -1.9179 LYS_9 -5.14865 0.47007 3.37652 0.01035 -1.32021 0 0 0 0 -0.37307 0 -0.20133 0.03694 2.40462 -0.04697 -0.28737 -1.07912 LYS_10 -4.72712 0.42227 3.44448 0.00311 -1.07725 0 0 0 0 -0.36839 0 -0.17639 0.05566 0.85456 -0.04918 -0.28737 -1.90563 ILE_11 -4.7414 0.43922 2.12798 0.02073 -0.24614 0 0 0 0 0 0 0.02566 0.06745 0.07678 -0.05332 0.8318 -1.45125 ILE_12 -5.24082 0.54938 1.98013 0.02005 -0.26952 0 0 0 0 0 0 -0.04008 0.0079 0.09794 -0.06211 0.8318 -2.12531 ASP_13 -3.52096 0.48355 3.09785 0.00339 -1.32709 0 0 0 0 -0.37307 0 -0.18963 0.00792 1.33969 -0.02551 -1.28682 -1.79068 ASN_14 -2.49236 0.37052 1.72944 0.00391 -0.10865 0 0 0 0 0 0 -0.23298 0.05776 1.40058 -0.23668 -0.94198 -0.45044 GLY_15 -1.14872 0.37826 0.77881 1e-05 0.0357 0 0 0 0 0 0 -0.2272 0.00968 0 -0.80567 0.14053 -0.83861 GLY_16 -1.8243 0.09567 1.10953 0.00011 0.08936 0 0 0 0 0 0 -0.04284 0.00162 0 -0.14044 0.14053 -0.57077 SER_17 -2.71458 0.59861 1.9098 0.00172 -0.42875 0.00802 0 0 -0.19446 0 0 -0.06685 0.11118 0.50182 0.00745 0.17658 -0.08945 PRO_18 -3.20253 0.39192 1.21236 0.00097 -0.30864 0.01719 0 0 0 0 0 -0.01346 0.00798 0.10673 -0.4318 -0.21929 -2.43857 ASP_19 -3.39371 0.51989 2.56463 0.00334 -0.9886 0 0 0 -0.19446 -0.17978 0 -0.10675 0.03106 1.37545 0.05708 -1.28682 -1.59866 GLU_20 -3.98234 0.25862 2.72961 0.00505 -0.99154 0 0 0 0 -0.38877 0 -0.24814 0.12864 2.35077 -0.16645 -1.55374 -1.85829 ALA_21 -4.34873 0.46209 1.67922 0.00074 -0.25842 0 0 0 0 0 0 -0.20227 0.16839 0 -0.18876 0.59294 -2.09478 ALA_22 -4.37686 0.39366 2.02252 0.00073 -0.21136 0 0 0 0 0 0 -0.13887 0.03039 0 -0.1615 0.59294 -1.84835 LYS_23 -4.36271 0.44265 2.871 0.00313 -0.96336 0 0 0 0 -0.38877 0 -0.18987 0.15846 0.84255 -0.05114 -0.28737 -1.92543 PHE_24 -6.00738 0.8561 2.25411 0.02825 -0.16633 0 0 0 0 0 0 0.01519 0.00224 1.41844 -0.13324 0.43057 -1.30205 ILE_25 -6.20623 1.02544 1.7846 0.02172 -0.15885 0 0 0 0 0 0 -0.06184 0.0141 0.27116 0.03757 0.8318 -2.44053 LYS_26 -4.98494 0.81467 2.8527 0.0056 -0.93725 0 0 0 0 -0.38849 0 -0.20474 0.037 1.74052 -0.05436 -0.28737 -1.40667 LYS_27 -2.63398 0.82782 1.41139 0.00334 -0.03932 0 0 0 0 0 0 -0.22037 0.01427 0.69871 -0.00538 -0.28737 -0.23089 TYR_28 -4.14251 0.70372 1.62704 0.02536 -0.10826 0 0 0 0 0 0 -0.15643 0.00306 1.98156 -0.0156 0.1317 0.04964 GLY_29 -1.14517 0.28929 0.72894 2e-05 0.05397 0 0 0 0 0 0 -0.23892 0.04797 0 -0.785 0.14053 -0.90837 LEU_30 -2.99183 0.13902 1.71153 0.00668 0.1049 0 0 0 0 0 0 -0.14743 0.00088 0.05956 -0.16317 0.60233 -0.67754 SER_31 -2.90996 0.2797 2.01457 0.00163 -0.6413 0 0 0 -0.2885 0 0 -0.30256 3e-05 0.60384 -0.07188 0.17658 -1.13784 GLU_32 -4.20065 0.34958 3.24252 0.00553 -1.85258 0 0 0 0 -0.93613 0 -0.1791 0.04212 2.70945 -0.08753 -1.55374 -2.46053 ASP_33 -2.45925 0.23729 1.69273 0.00339 -0.13129 0 0 0 0 0 0 -0.10197 0.0711 1.27809 0.04542 -1.28682 -0.65131 GLN_34 -3.98432 0.29626 2.52855 0.00336 -0.33946 0 0 0 -0.2885 0 0 -0.15113 0.00469 1.99259 -0.11988 -1.17797 -1.23582 ALA_35 -4.6508 0.5616 1.85789 0.00072 -0.26204 0 0 0 0 0 0 -0.07442 0.00826 0 -0.12562 0.59294 -2.09147 ARG_36 -5.07078 0.32538 3.59069 0.00978 -1.85351 0 0 0 0 -0.72742 0 -0.22531 0.20063 1.5968 -0.08833 -0.14916 -2.39124 GLU_37 -4.29778 0.38228 2.93452 0.00747 -1.00085 0 0 0 0 -0.4662 0 -0.09093 0.00697 2.26721 -0.10806 -1.55374 -1.91911 LEU_38 -5.11032 0.33756 2.18672 0.00713 -0.28221 0 0 0 0 0 0 -0.11132 0.10785 0.20959 -0.12257 0.60233 -2.17523 VAL_39 -4.93716 0.49075 1.91517 0.01696 -0.22766 0 0 0 0 0 0 0.00946 0.01025 0.05895 -0.02165 0.74484 -1.94008 LYS_40 -3.2003 0.21429 1.82556 0.00309 0.10432 0 0 0 0 0 0 -0.24684 0.04768 0.75074 -0.03969 -0.28737 -0.82854 ARG_41 -3.66423 0.26272 2.46348 0.00952 -0.65336 0 0 0 0 -0.4662 0 -0.21202 0.03575 1.57641 -0.09899 -0.14916 -0.89608 ALA_42 -2.95194 0.16335 1.53866 0.00073 0.21234 0 0 0 0 0 0 -0.16016 0.00011 0 -0.13845 0.59294 -0.74241 LEU:CtermProteinFull_43 -2.93804 0.17079 1.42503 0.00694 0.46976 0 0 0 0 0 0 0 0 0.48992 0 0.60233 0.22675 #END_POSE_ENERGIES_TABLE nods_bigger.blueprint.44_try180_pass_20150324045750_0001_0001.pdb AlaCount 6 bb -0.0198462 buried_minus_exposed 3652.32 buried_np 5164.16 buried_over_exposed 3.41579 cavity_volume 0 contact_all 204 contact_core_SASA 204 contact_core_SCN 204 degree 10.4884 degree_core_SASA 10.4884 degree_core_SCN 10.4884 exposed_hydrophobics 1511.84 holes 0.703207 mismatch_probability 0.0959082 one_core_each 1 pack 0.66169 percent_core_SASA 0.0465008 percent_core_SCN 0.162753 res_count_core_SASA 2 res_count_core_SCN 7 ss_sc 0.785556 two_core_each 0.666667 unsat_hbond 3
HHH_rd1_0606.pdb
ATOM 1 N PRO A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA PRO A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C PRO A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O PRO A 1 2.725 1.819 -0.919 1.00 0.00 O ATOM 5 CB PRO A 1 1.803 -0.740 -1.297 1.00 0.00 C ATOM 6 CG PRO A 1 0.687 -0.393 -2.223 1.00 0.00 C ATOM 7 CD PRO A 1 -0.535 -0.370 -1.344 1.00 0.00 C ATOM 8 1H PRO A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 9 2H PRO A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 10 HA PRO A 1 1.804 -0.506 0.902 1.00 0.00 H ATOM 11 1HB PRO A 1 2.784 -0.410 -1.669 1.00 0.00 H ATOM 12 2HB PRO A 1 1.878 -1.820 -1.105 1.00 0.00 H ATOM 13 1HG PRO A 1 0.881 0.576 -2.705 1.00 0.00 H ATOM 14 2HG PRO A 1 0.616 -1.140 -3.027 1.00 0.00 H ATOM 15 1HD PRO A 1 -1.239 0.390 -1.715 1.00 0.00 H ATOM 16 2HD PRO A 1 -1.004 -1.365 -1.340 1.00 0.00 H ATOM 17 N ASP A 2 1.671 2.181 1.036 1.00 0.00 N ATOM 18 CA ASP A 2 2.085 3.575 1.130 1.00 0.00 C ATOM 19 C ASP A 2 3.601 3.694 1.220 1.00 0.00 C ATOM 20 O ASP A 2 4.202 4.574 0.604 1.00 0.00 O ATOM 21 CB ASP A 2 1.442 4.245 2.347 1.00 0.00 C ATOM 22 CG ASP A 2 -0.057 4.459 2.181 1.00 0.00 C ATOM 23 OD1 ASP A 2 -0.536 4.339 1.079 1.00 0.00 O ATOM 24 OD2 ASP A 2 -0.708 4.741 3.159 1.00 0.00 O ATOM 25 H ASP A 2 1.112 1.782 1.777 1.00 0.00 H ATOM 26 HA ASP A 2 1.746 4.098 0.235 1.00 0.00 H ATOM 27 1HB ASP A 2 1.611 3.632 3.232 1.00 0.00 H ATOM 28 2HB ASP A 2 1.915 5.212 2.523 1.00 0.00 H ATOM 29 N ASP A 3 4.215 2.804 1.992 1.00 0.00 N ATOM 30 CA ASP A 3 5.660 2.824 2.186 1.00 0.00 C ATOM 31 C ASP A 3 6.395 2.567 0.877 1.00 0.00 C ATOM 32 O ASP A 3 7.456 3.139 0.627 1.00 0.00 O ATOM 33 CB ASP A 3 6.076 1.781 3.226 1.00 0.00 C ATOM 34 CG ASP A 3 5.675 2.164 4.644 1.00 0.00 C ATOM 35 OD1 ASP A 3 5.354 3.309 4.861 1.00 0.00 O ATOM 36 OD2 ASP A 3 5.692 1.309 5.496 1.00 0.00 O ATOM 37 H ASP A 3 3.666 2.094 2.457 1.00 0.00 H ATOM 38 HA ASP A 3 5.945 3.808 2.560 1.00 0.00 H ATOM 39 1HB ASP A 3 5.620 0.821 2.981 1.00 0.00 H ATOM 40 2HB ASP A 3 7.158 1.647 3.194 1.00 0.00 H ATOM 41 N GLU A 4 5.825 1.703 0.044 1.00 0.00 N ATOM 42 CA GLU A 4 6.350 1.470 -1.296 1.00 0.00 C ATOM 43 C GLU A 4 6.378 2.759 -2.108 1.00 0.00 C ATOM 44 O GLU A 4 7.386 3.087 -2.734 1.00 0.00 O ATOM 45 CB GLU A 4 5.510 0.417 -2.023 1.00 0.00 C ATOM 46 CG GLU A 4 5.988 0.094 -3.431 1.00 0.00 C ATOM 47 CD GLU A 4 5.151 -0.957 -4.106 1.00 0.00 C ATOM 48 OE1 GLU A 4 4.345 -1.564 -3.443 1.00 0.00 O ATOM 49 OE2 GLU A 4 5.319 -1.154 -5.287 1.00 0.00 O ATOM 50 H GLU A 4 5.007 1.194 0.347 1.00 0.00 H ATOM 51 HA GLU A 4 7.368 1.090 -1.208 1.00 0.00 H ATOM 52 1HB GLU A 4 5.511 -0.509 -1.448 1.00 0.00 H ATOM 53 2HB GLU A 4 4.477 0.759 -2.090 1.00 0.00 H ATOM 54 1HG GLU A 4 5.960 1.004 -4.031 1.00 0.00 H ATOM 55 2HG GLU A 4 7.021 -0.246 -3.384 1.00 0.00 H ATOM 56 N TRP A 5 5.267 3.487 -2.092 1.00 0.00 N ATOM 57 CA TRP A 5 5.174 4.759 -2.799 1.00 0.00 C ATOM 58 C TRP A 5 6.166 5.772 -2.244 1.00 0.00 C ATOM 59 O TRP A 5 6.745 6.562 -2.990 1.00 0.00 O ATOM 60 CB TRP A 5 3.755 5.322 -2.699 1.00 0.00 C ATOM 61 CG TRP A 5 2.772 4.629 -3.593 1.00 0.00 C ATOM 62 CD1 TRP A 5 1.729 3.843 -3.204 1.00 0.00 C ATOM 63 CD2 TRP A 5 2.734 4.657 -5.041 1.00 0.00 C ATOM 64 NE1 TRP A 5 1.048 3.381 -4.303 1.00 0.00 N ATOM 65 CE2 TRP A 5 1.648 3.870 -5.436 1.00 0.00 C ATOM 66 CE3 TRP A 5 3.522 5.278 -6.018 1.00 0.00 C ATOM 67 CZ2 TRP A 5 1.326 3.682 -6.770 1.00 0.00 C ATOM 68 CZ3 TRP A 5 3.197 5.090 -7.356 1.00 0.00 C ATOM 69 CH2 TRP A 5 2.127 4.313 -7.722 1.00 0.00 C ATOM 70 H TRP A 5 4.466 3.151 -1.577 1.00 0.00 H ATOM 71 HA TRP A 5 5.402 4.587 -3.852 1.00 0.00 H ATOM 72 1HB TRP A 5 3.402 5.238 -1.671 1.00 0.00 H ATOM 73 2HB TRP A 5 3.765 6.381 -2.957 1.00 0.00 H ATOM 74 HD1 TRP A 5 1.473 3.615 -2.171 1.00 0.00 H ATOM 75 HE1 TRP A 5 0.238 2.778 -4.283 1.00 0.00 H ATOM 76 HE3 TRP A 5 4.371 5.898 -5.733 1.00 0.00 H ATOM 77 HZ2 TRP A 5 0.480 3.068 -7.081 1.00 0.00 H ATOM 78 HZ3 TRP A 5 3.816 5.576 -8.111 1.00 0.00 H ATOM 79 HH2 TRP A 5 1.901 4.187 -8.781 1.00 0.00 H ATOM 80 N LYS A 6 6.359 5.745 -0.930 1.00 0.00 N ATOM 81 CA LYS A 6 7.319 6.627 -0.278 1.00 0.00 C ATOM 82 C LYS A 6 8.730 6.388 -0.800 1.00 0.00 C ATOM 83 O LYS A 6 9.482 7.332 -1.040 1.00 0.00 O ATOM 84 CB LYS A 6 7.280 6.434 1.239 1.00 0.00 C ATOM 85 CG LYS A 6 6.019 6.963 1.908 1.00 0.00 C ATOM 86 CD LYS A 6 6.020 6.669 3.401 1.00 0.00 C ATOM 87 CE LYS A 6 4.706 7.082 4.048 1.00 0.00 C ATOM 88 NZ LYS A 6 4.664 6.731 5.494 1.00 0.00 N ATOM 89 H LYS A 6 5.827 5.096 -0.368 1.00 0.00 H ATOM 90 HA LYS A 6 7.039 7.660 -0.489 1.00 0.00 H ATOM 91 1HB LYS A 6 7.363 5.372 1.473 1.00 0.00 H ATOM 92 2HB LYS A 6 8.135 6.937 1.692 1.00 0.00 H ATOM 93 1HG LYS A 6 5.952 8.041 1.759 1.00 0.00 H ATOM 94 2HG LYS A 6 5.144 6.497 1.455 1.00 0.00 H ATOM 95 1HD LYS A 6 6.174 5.601 3.561 1.00 0.00 H ATOM 96 2HD LYS A 6 6.835 7.212 3.878 1.00 0.00 H ATOM 97 1HE LYS A 6 4.572 8.158 3.944 1.00 0.00 H ATOM 98 2HE LYS A 6 3.879 6.585 3.542 1.00 0.00 H ATOM 99 1HZ LYS A 6 3.778 7.021 5.885 1.00 0.00 H ATOM 100 2HZ LYS A 6 4.769 5.732 5.602 1.00 0.00 H ATOM 101 3HZ LYS A 6 5.415 7.202 5.977 1.00 0.00 H ATOM 102 N GLU A 7 9.084 5.119 -0.974 1.00 0.00 N ATOM 103 CA GLU A 7 10.398 4.754 -1.489 1.00 0.00 C ATOM 104 C GLU A 7 10.546 5.150 -2.952 1.00 0.00 C ATOM 105 O GLU A 7 11.619 5.568 -3.387 1.00 0.00 O ATOM 106 CB GLU A 7 10.634 3.250 -1.331 1.00 0.00 C ATOM 107 CG GLU A 7 10.802 2.788 0.109 1.00 0.00 C ATOM 108 CD GLU A 7 11.979 3.426 0.794 1.00 0.00 C ATOM 109 OE1 GLU A 7 13.010 3.543 0.177 1.00 0.00 O ATOM 110 OE2 GLU A 7 11.846 3.796 1.937 1.00 0.00 O ATOM 111 H GLU A 7 8.425 4.389 -0.744 1.00 0.00 H ATOM 112 HA GLU A 7 11.156 5.279 -0.906 1.00 0.00 H ATOM 113 1HB GLU A 7 9.795 2.703 -1.762 1.00 0.00 H ATOM 114 2HB GLU A 7 11.530 2.962 -1.882 1.00 0.00 H ATOM 115 1HG GLU A 7 9.897 3.030 0.666 1.00 0.00 H ATOM 116 2HG GLU A 7 10.924 1.705 0.120 1.00 0.00 H ATOM 117 N ARG A 8 9.462 5.015 -3.709 1.00 0.00 N ATOM 118 CA ARG A 8 9.449 5.425 -5.108 1.00 0.00 C ATOM 119 C ARG A 8 9.625 6.932 -5.242 1.00 0.00 C ATOM 120 O ARG A 8 10.333 7.408 -6.129 1.00 0.00 O ATOM 121 CB ARG A 8 8.146 5.008 -5.776 1.00 0.00 C ATOM 122 CG ARG A 8 7.983 3.511 -5.980 1.00 0.00 C ATOM 123 CD ARG A 8 6.687 3.182 -6.626 1.00 0.00 C ATOM 124 NE ARG A 8 6.463 1.747 -6.696 1.00 0.00 N ATOM 125 CZ ARG A 8 6.957 0.942 -7.657 1.00 0.00 C ATOM 126 NH1 ARG A 8 7.698 1.445 -8.620 1.00 0.00 N ATOM 127 NH2 ARG A 8 6.696 -0.353 -7.632 1.00 0.00 N ATOM 128 H ARG A 8 8.626 4.619 -3.304 1.00 0.00 H ATOM 129 HA ARG A 8 10.273 4.930 -5.622 1.00 0.00 H ATOM 130 1HB ARG A 8 7.304 5.353 -5.177 1.00 0.00 H ATOM 131 2HB ARG A 8 8.070 5.485 -6.753 1.00 0.00 H ATOM 132 1HG ARG A 8 8.787 3.141 -6.617 1.00 0.00 H ATOM 133 2HG ARG A 8 8.023 3.005 -5.015 1.00 0.00 H ATOM 134 1HD ARG A 8 5.873 3.627 -6.054 1.00 0.00 H ATOM 135 2HD ARG A 8 6.675 3.579 -7.641 1.00 0.00 H ATOM 136 HE ARG A 8 5.898 1.324 -5.972 1.00 0.00 H ATOM 137 1HH1 ARG A 8 7.897 2.435 -8.639 1.00 0.00 H ATOM 138 2HH1 ARG A 8 8.067 0.842 -9.340 1.00 0.00 H ATOM 139 1HH2 ARG A 8 6.127 -0.740 -6.892 1.00 0.00 H ATOM 140 2HH2 ARG A 8 7.066 -0.956 -8.352 1.00 0.00 H ATOM 141 N LEU A 9 8.976 7.680 -4.356 1.00 0.00 N ATOM 142 CA LEU A 9 9.110 9.132 -4.334 1.00 0.00 C ATOM 143 C LEU A 9 10.519 9.548 -3.934 1.00 0.00 C ATOM 144 O LEU A 9 11.066 10.515 -4.467 1.00 0.00 O ATOM 145 CB LEU A 9 8.094 9.743 -3.360 1.00 0.00 C ATOM 146 CG LEU A 9 6.626 9.671 -3.798 1.00 0.00 C ATOM 147 CD1 LEU A 9 5.733 10.156 -2.664 1.00 0.00 C ATOM 148 CD2 LEU A 9 6.428 10.515 -5.049 1.00 0.00 C ATOM 149 H LEU A 9 8.374 7.231 -3.680 1.00 0.00 H ATOM 150 HA LEU A 9 8.902 9.514 -5.334 1.00 0.00 H ATOM 151 1HB LEU A 9 8.179 9.231 -2.403 1.00 0.00 H ATOM 152 2HB LEU A 9 8.345 10.793 -3.210 1.00 0.00 H ATOM 153 HG LEU A 9 6.360 8.636 -4.013 1.00 0.00 H ATOM 154 1HD1 LEU A 9 4.689 10.105 -2.976 1.00 0.00 H ATOM 155 2HD1 LEU A 9 5.880 9.523 -1.789 1.00 0.00 H ATOM 156 3HD1 LEU A 9 5.987 11.185 -2.416 1.00 0.00 H ATOM 157 1HD2 LEU A 9 5.384 10.463 -5.361 1.00 0.00 H ATOM 158 2HD2 LEU A 9 6.692 11.551 -4.835 1.00 0.00 H ATOM 159 3HD2 LEU A 9 7.065 10.136 -5.848 1.00 0.00 H ATOM 160 N ARG A 10 11.104 8.814 -2.994 1.00 0.00 N ATOM 161 CA ARG A 10 12.487 9.044 -2.592 1.00 0.00 C ATOM 162 C ARG A 10 13.437 8.894 -3.773 1.00 0.00 C ATOM 163 O ARG A 10 14.333 9.715 -3.970 1.00 0.00 O ATOM 164 CB ARG A 10 12.892 8.074 -1.492 1.00 0.00 C ATOM 165 CG ARG A 10 14.325 8.223 -1.005 1.00 0.00 C ATOM 166 CD ARG A 10 14.629 7.282 0.104 1.00 0.00 C ATOM 167 NE ARG A 10 14.525 5.894 -0.319 1.00 0.00 N ATOM 168 CZ ARG A 10 15.454 5.245 -1.048 1.00 0.00 C ATOM 169 NH1 ARG A 10 16.546 5.870 -1.427 1.00 0.00 N ATOM 170 NH2 ARG A 10 15.266 3.980 -1.383 1.00 0.00 N ATOM 171 H ARG A 10 10.578 8.078 -2.547 1.00 0.00 H ATOM 172 HA ARG A 10 12.569 10.060 -2.203 1.00 0.00 H ATOM 173 1HB ARG A 10 12.237 8.204 -0.632 1.00 0.00 H ATOM 174 2HB ARG A 10 12.769 7.050 -1.846 1.00 0.00 H ATOM 175 1HG ARG A 10 15.012 8.017 -1.826 1.00 0.00 H ATOM 176 2HG ARG A 10 14.484 9.240 -0.645 1.00 0.00 H ATOM 177 1HD ARG A 10 15.644 7.455 0.460 1.00 0.00 H ATOM 178 2HD ARG A 10 13.926 7.443 0.920 1.00 0.00 H ATOM 179 HE ARG A 10 13.698 5.380 -0.046 1.00 0.00 H ATOM 180 1HH1 ARG A 10 16.690 6.837 -1.172 1.00 0.00 H ATOM 181 2HH1 ARG A 10 17.242 5.384 -1.974 1.00 0.00 H ATOM 182 1HH2 ARG A 10 14.425 3.500 -1.091 1.00 0.00 H ATOM 183 2HH2 ARG A 10 15.961 3.494 -1.929 1.00 0.00 H ATOM 184 N GLU A 11 13.235 7.841 -4.558 1.00 0.00 N ATOM 185 CA GLU A 11 14.017 7.628 -5.770 1.00 0.00 C ATOM 186 C GLU A 11 13.951 8.841 -6.688 1.00 0.00 C ATOM 187 O GLU A 11 14.979 9.361 -7.120 1.00 0.00 O ATOM 188 CB GLU A 11 13.520 6.386 -6.513 1.00 0.00 C ATOM 189 CG GLU A 11 14.258 6.094 -7.812 1.00 0.00 C ATOM 190 CD GLU A 11 13.709 4.899 -8.541 1.00 0.00 C ATOM 191 OE1 GLU A 11 12.838 4.252 -8.011 1.00 0.00 O ATOM 192 OE2 GLU A 11 14.161 4.633 -9.630 1.00 0.00 O ATOM 193 H GLU A 11 12.522 7.170 -4.308 1.00 0.00 H ATOM 194 HA GLU A 11 15.056 7.460 -5.486 1.00 0.00 H ATOM 195 1HB GLU A 11 13.619 5.512 -5.869 1.00 0.00 H ATOM 196 2HB GLU A 11 12.462 6.502 -6.749 1.00 0.00 H ATOM 197 1HG GLU A 11 14.187 6.966 -8.462 1.00 0.00 H ATOM 198 2HG GLU A 11 15.311 5.926 -7.590 1.00 0.00 H ATOM 199 N ALA A 12 12.735 9.289 -6.983 1.00 0.00 N ATOM 200 CA ALA A 12 12.532 10.428 -7.869 1.00 0.00 C ATOM 201 C ALA A 12 13.206 11.679 -7.322 1.00 0.00 C ATOM 202 O ALA A 12 13.801 12.454 -8.071 1.00 0.00 O ATOM 203 CB ALA A 12 11.045 10.678 -8.079 1.00 0.00 C ATOM 204 H ALA A 12 11.931 8.828 -6.582 1.00 0.00 H ATOM 205 HA ALA A 12 12.968 10.193 -8.841 1.00 0.00 H ATOM 206 1HB ALA A 12 10.910 11.531 -8.744 1.00 0.00 H ATOM 207 2HB ALA A 12 10.588 9.795 -8.526 1.00 0.00 H ATOM 208 3HB ALA A 12 10.573 10.886 -7.121 1.00 0.00 H ATOM 209 N GLU A 13 13.110 11.872 -6.011 1.00 0.00 N ATOM 210 CA GLU A 13 13.755 13.002 -5.353 1.00 0.00 C ATOM 211 C GLU A 13 15.269 12.941 -5.512 1.00 0.00 C ATOM 212 O GLU A 13 15.901 13.921 -5.907 1.00 0.00 O ATOM 213 CB GLU A 13 13.389 13.034 -3.867 1.00 0.00 C ATOM 214 CG GLU A 13 14.026 14.176 -3.088 1.00 0.00 C ATOM 215 CD GLU A 13 13.584 14.221 -1.651 1.00 0.00 C ATOM 216 OE1 GLU A 13 12.496 14.679 -1.398 1.00 0.00 O ATOM 217 OE2 GLU A 13 14.337 13.797 -0.806 1.00 0.00 O ATOM 218 H GLU A 13 12.577 11.218 -5.455 1.00 0.00 H ATOM 219 HA GLU A 13 13.392 13.922 -5.812 1.00 0.00 H ATOM 220 1HB GLU A 13 12.308 13.119 -3.761 1.00 0.00 H ATOM 221 2HB GLU A 13 13.692 12.098 -3.398 1.00 0.00 H ATOM 222 1HG GLU A 13 15.109 14.064 -3.119 1.00 0.00 H ATOM 223 2HG GLU A 13 13.772 15.118 -3.571 1.00 0.00 H ATOM 224 N GLU A 14 15.845 11.785 -5.201 1.00 0.00 N ATOM 225 CA GLU A 14 17.293 11.616 -5.240 1.00 0.00 C ATOM 226 C GLU A 14 17.827 11.761 -6.659 1.00 0.00 C ATOM 227 O GLU A 14 18.956 12.204 -6.866 1.00 0.00 O ATOM 228 CB GLU A 14 17.686 10.249 -4.675 1.00 0.00 C ATOM 229 CG GLU A 14 17.471 10.104 -3.175 1.00 0.00 C ATOM 230 CD GLU A 14 17.786 8.724 -2.669 1.00 0.00 C ATOM 231 OE1 GLU A 14 18.225 7.912 -3.449 1.00 0.00 O ATOM 232 OE2 GLU A 14 17.587 8.481 -1.502 1.00 0.00 O ATOM 233 H GLU A 14 15.266 11.003 -4.931 1.00 0.00 H ATOM 234 HA GLU A 14 17.748 12.385 -4.615 1.00 0.00 H ATOM 235 1HB GLU A 14 17.109 9.470 -5.172 1.00 0.00 H ATOM 236 2HB GLU A 14 18.739 10.059 -4.882 1.00 0.00 H ATOM 237 1HG GLU A 14 18.106 10.822 -2.656 1.00 0.00 H ATOM 238 2HG GLU A 14 16.434 10.344 -2.942 1.00 0.00 H ATOM 239 N LYS A 15 17.007 11.385 -7.636 1.00 0.00 N ATOM 240 CA LYS A 15 17.400 11.461 -9.038 1.00 0.00 C ATOM 241 C LYS A 15 17.029 12.809 -9.642 1.00 0.00 C ATOM 242 O LYS A 15 17.231 13.042 -10.834 1.00 0.00 O ATOM 243 CB LYS A 15 16.752 10.330 -9.837 1.00 0.00 C ATOM 244 CG LYS A 15 17.264 8.939 -9.487 1.00 0.00 C ATOM 245 CD LYS A 15 16.580 7.871 -10.328 1.00 0.00 C ATOM 246 CE LYS A 15 17.192 6.499 -10.086 1.00 0.00 C ATOM 247 NZ LYS A 15 16.489 5.433 -10.851 1.00 0.00 N ATOM 248 H LYS A 15 16.088 11.039 -7.400 1.00 0.00 H ATOM 249 HA LYS A 15 18.484 11.355 -9.099 1.00 0.00 H ATOM 250 1HB LYS A 15 15.674 10.340 -9.675 1.00 0.00 H ATOM 251 2HB LYS A 15 16.924 10.491 -10.902 1.00 0.00 H ATOM 252 1HG LYS A 15 18.340 8.892 -9.660 1.00 0.00 H ATOM 253 2HG LYS A 15 17.074 8.736 -8.434 1.00 0.00 H ATOM 254 1HD LYS A 15 15.519 7.836 -10.080 1.00 0.00 H ATOM 255 2HD LYS A 15 16.680 8.120 -11.385 1.00 0.00 H ATOM 256 1HE LYS A 15 18.240 6.510 -10.381 1.00 0.00 H ATOM 257 2HE LYS A 15 17.139 6.259 -9.023 1.00 0.00 H ATOM 258 1HZ LYS A 15 16.924 4.541 -10.663 1.00 0.00 H ATOM 259 2HZ LYS A 15 15.519 5.401 -10.572 1.00 0.00 H ATOM 260 3HZ LYS A 15 16.548 5.634 -11.839 1.00 0.00 H ATOM 261 N ASN A 16 16.486 13.694 -8.813 1.00 0.00 N ATOM 262 CA ASN A 16 16.167 15.050 -9.242 1.00 0.00 C ATOM 263 C ASN A 16 15.249 15.041 -10.458 1.00 0.00 C ATOM 264 O ASN A 16 15.426 15.829 -11.387 1.00 0.00 O ATOM 265 CB ASN A 16 17.435 15.830 -9.536 1.00 0.00 C ATOM 266 CG ASN A 16 18.238 16.115 -8.298 1.00 0.00 C ATOM 267 OD1 ASN A 16 17.693 16.542 -7.274 1.00 0.00 O ATOM 268 ND2 ASN A 16 19.525 15.887 -8.371 1.00 0.00 N ATOM 269 H ASN A 16 16.289 13.420 -7.861 1.00 0.00 H ATOM 270 HA ASN A 16 15.630 15.551 -8.435 1.00 0.00 H ATOM 271 1HB ASN A 16 18.055 15.267 -10.236 1.00 0.00 H ATOM 272 2HB ASN A 16 17.179 16.775 -10.014 1.00 0.00 H ATOM 273 1HD2 ASN A 16 20.109 16.059 -7.577 1.00 0.00 H ATOM 274 2HD2 ASN A 16 19.924 15.541 -9.219 1.00 0.00 H ATOM 275 N ASN A 17 14.267 14.146 -10.445 1.00 0.00 N ATOM 276 CA ASN A 17 13.286 14.070 -11.521 1.00 0.00 C ATOM 277 C ASN A 17 11.895 14.441 -11.026 1.00 0.00 C ATOM 278 O ASN A 17 11.127 13.579 -10.598 1.00 0.00 O ATOM 279 CB ASN A 17 13.280 12.684 -12.141 1.00 0.00 C ATOM 280 CG ASN A 17 12.404 12.600 -13.359 1.00 0.00 C ATOM 281 OD1 ASN A 17 11.467 13.391 -13.521 1.00 0.00 O ATOM 282 ND2 ASN A 17 12.689 11.656 -14.220 1.00 0.00 N ATOM 283 H ASN A 17 14.199 13.502 -9.671 1.00 0.00 H ATOM 284 HA ASN A 17 13.571 14.778 -12.300 1.00 0.00 H ATOM 285 1HB ASN A 17 14.297 12.405 -12.419 1.00 0.00 H ATOM 286 2HB ASN A 17 12.931 11.958 -11.406 1.00 0.00 H ATOM 287 1HD2 ASN A 17 12.139 11.553 -15.050 1.00 0.00 H ATOM 288 2HD2 ASN A 17 13.456 11.039 -14.049 1.00 0.00 H ATOM 289 N TRP A 18 11.576 15.730 -11.085 1.00 0.00 N ATOM 290 CA TRP A 18 10.340 16.240 -10.504 1.00 0.00 C ATOM 291 C TRP A 18 9.123 15.750 -11.279 1.00 0.00 C ATOM 292 O TRP A 18 8.026 15.649 -10.731 1.00 0.00 O ATOM 293 CB TRP A 18 10.353 17.770 -10.482 1.00 0.00 C ATOM 294 CG TRP A 18 10.308 18.388 -11.847 1.00 0.00 C ATOM 295 CD1 TRP A 18 11.375 18.747 -12.615 1.00 0.00 C ATOM 296 CD2 TRP A 18 9.128 18.725 -12.617 1.00 0.00 C ATOM 297 NE1 TRP A 18 10.944 19.282 -13.803 1.00 0.00 N ATOM 298 CE2 TRP A 18 9.572 19.275 -13.822 1.00 0.00 C ATOM 299 CE3 TRP A 18 7.753 18.604 -12.383 1.00 0.00 C ATOM 300 CZ2 TRP A 18 8.690 19.710 -14.799 1.00 0.00 C ATOM 301 CZ3 TRP A 18 6.868 19.039 -13.363 1.00 0.00 C ATOM 302 CH2 TRP A 18 7.325 19.577 -14.540 1.00 0.00 C ATOM 303 H TRP A 18 12.206 16.372 -11.544 1.00 0.00 H ATOM 304 HA TRP A 18 10.267 15.883 -9.476 1.00 0.00 H ATOM 305 1HB TRP A 18 9.497 18.133 -9.913 1.00 0.00 H ATOM 306 2HB TRP A 18 11.254 18.119 -9.978 1.00 0.00 H ATOM 307 HD1 TRP A 18 12.418 18.626 -12.327 1.00 0.00 H ATOM 308 HE1 TRP A 18 11.538 19.626 -14.544 1.00 0.00 H ATOM 309 HE3 TRP A 18 7.385 18.175 -11.452 1.00 0.00 H ATOM 310 HZ2 TRP A 18 9.033 20.140 -15.740 1.00 0.00 H ATOM 311 HZ3 TRP A 18 5.799 18.942 -13.173 1.00 0.00 H ATOM 312 HH2 TRP A 18 6.604 19.908 -15.287 1.00 0.00 H ATOM 313 N LYS A 19 9.325 15.447 -12.557 1.00 0.00 N ATOM 314 CA LYS A 19 8.264 14.894 -13.390 1.00 0.00 C ATOM 315 C LYS A 19 7.867 13.500 -12.922 1.00 0.00 C ATOM 316 O LYS A 19 6.681 13.187 -12.809 1.00 0.00 O ATOM 317 CB LYS A 19 8.700 14.852 -14.855 1.00 0.00 C ATOM 318 CG LYS A 19 8.817 16.219 -15.516 1.00 0.00 C ATOM 319 CD LYS A 19 9.244 16.096 -16.971 1.00 0.00 C ATOM 320 CE LYS A 19 9.373 17.461 -17.629 1.00 0.00 C ATOM 321 NZ LYS A 19 9.819 17.357 -19.045 1.00 0.00 N ATOM 322 H LYS A 19 10.237 15.604 -12.962 1.00 0.00 H ATOM 323 HA LYS A 19 7.394 15.547 -13.321 1.00 0.00 H ATOM 324 1HB LYS A 19 9.669 14.359 -14.933 1.00 0.00 H ATOM 325 2HB LYS A 19 7.986 14.263 -15.431 1.00 0.00 H ATOM 326 1HG LYS A 19 7.854 16.729 -15.471 1.00 0.00 H ATOM 327 2HG LYS A 19 9.551 16.820 -14.980 1.00 0.00 H ATOM 328 1HD LYS A 19 10.205 15.583 -17.026 1.00 0.00 H ATOM 329 2HD LYS A 19 8.507 15.508 -17.518 1.00 0.00 H ATOM 330 1HE LYS A 19 8.411 17.971 -17.601 1.00 0.00 H ATOM 331 2HE LYS A 19 10.095 18.064 -17.078 1.00 0.00 H ATOM 332 1HZ LYS A 19 9.893 18.282 -19.444 1.00 0.00 H ATOM 333 2HZ LYS A 19 10.721 16.902 -19.082 1.00 0.00 H ATOM 334 3HZ LYS A 19 9.148 16.816 -19.571 1.00 0.00 H ATOM 335 N LEU A 20 8.864 12.665 -12.651 1.00 0.00 N ATOM 336 CA LEU A 20 8.624 11.339 -12.095 1.00 0.00 C ATOM 337 C LEU A 20 7.989 11.427 -10.714 1.00 0.00 C ATOM 338 O LEU A 20 7.029 10.717 -10.415 1.00 0.00 O ATOM 339 CB LEU A 20 9.939 10.554 -12.010 1.00 0.00 C ATOM 340 CG LEU A 20 9.837 9.148 -11.405 1.00 0.00 C ATOM 341 CD1 LEU A 20 8.896 8.299 -12.248 1.00 0.00 C ATOM 342 CD2 LEU A 20 11.223 8.523 -11.334 1.00 0.00 C ATOM 343 H LEU A 20 9.814 12.957 -12.835 1.00 0.00 H ATOM 344 HA LEU A 20 7.945 10.803 -12.759 1.00 0.00 H ATOM 345 1HB LEU A 20 10.349 10.453 -13.014 1.00 0.00 H ATOM 346 2HB LEU A 20 10.646 11.124 -11.407 1.00 0.00 H ATOM 347 HG LEU A 20 9.417 9.214 -10.401 1.00 0.00 H ATOM 348 1HD1 LEU A 20 8.823 7.300 -11.818 1.00 0.00 H ATOM 349 2HD1 LEU A 20 7.908 8.759 -12.266 1.00 0.00 H ATOM 350 3HD1 LEU A 20 9.282 8.229 -13.265 1.00 0.00 H ATOM 351 1HD2 LEU A 20 11.150 7.524 -10.903 1.00 0.00 H ATOM 352 2HD2 LEU A 20 11.643 8.456 -12.338 1.00 0.00 H ATOM 353 3HD2 LEU A 20 11.869 9.141 -10.711 1.00 0.00 H ATOM 354 N PHE A 21 8.529 12.304 -9.874 1.00 0.00 N ATOM 355 CA PHE A 21 8.026 12.474 -8.516 1.00 0.00 C ATOM 356 C PHE A 21 6.541 12.810 -8.517 1.00 0.00 C ATOM 357 O PHE A 21 5.749 12.167 -7.829 1.00 0.00 O ATOM 358 CB PHE A 21 8.803 13.577 -7.793 1.00 0.00 C ATOM 359 CG PHE A 21 8.375 13.785 -6.369 1.00 0.00 C ATOM 360 CD1 PHE A 21 9.076 13.198 -5.326 1.00 0.00 C ATOM 361 CD2 PHE A 21 7.271 14.567 -6.068 1.00 0.00 C ATOM 362 CE1 PHE A 21 8.684 13.389 -4.015 1.00 0.00 C ATOM 363 CE2 PHE A 21 6.876 14.761 -4.758 1.00 0.00 C ATOM 364 CZ PHE A 21 7.584 14.170 -3.731 1.00 0.00 C ATOM 365 H PHE A 21 9.309 12.866 -10.184 1.00 0.00 H ATOM 366 HA PHE A 21 8.173 11.540 -7.973 1.00 0.00 H ATOM 367 1HB PHE A 21 9.865 13.336 -7.798 1.00 0.00 H ATOM 368 2HB PHE A 21 8.679 14.518 -8.327 1.00 0.00 H ATOM 369 HD1 PHE A 21 9.947 12.581 -5.550 1.00 0.00 H ATOM 370 HD2 PHE A 21 6.711 15.034 -6.880 1.00 0.00 H ATOM 371 HE1 PHE A 21 9.244 12.921 -3.205 1.00 0.00 H ATOM 372 HE2 PHE A 21 6.007 15.379 -4.536 1.00 0.00 H ATOM 373 HZ PHE A 21 7.273 14.320 -2.698 1.00 0.00 H ATOM 374 N GLU A 22 6.168 13.822 -9.295 1.00 0.00 N ATOM 375 CA GLU A 22 4.778 14.251 -9.380 1.00 0.00 C ATOM 376 C GLU A 22 3.882 13.121 -9.870 1.00 0.00 C ATOM 377 O GLU A 22 2.821 12.865 -9.300 1.00 0.00 O ATOM 378 CB GLU A 22 4.648 15.458 -10.311 1.00 0.00 C ATOM 379 CG GLU A 22 3.223 15.960 -10.495 1.00 0.00 C ATOM 380 CD GLU A 22 3.155 17.275 -11.220 1.00 0.00 C ATOM 381 OE1 GLU A 22 4.173 17.911 -11.356 1.00 0.00 O ATOM 382 OE2 GLU A 22 2.084 17.645 -11.639 1.00 0.00 O ATOM 383 H GLU A 22 6.867 14.305 -9.840 1.00 0.00 H ATOM 384 HA GLU A 22 4.447 14.553 -8.385 1.00 0.00 H ATOM 385 1HB GLU A 22 5.246 16.283 -9.922 1.00 0.00 H ATOM 386 2HB GLU A 22 5.043 15.203 -11.294 1.00 0.00 H ATOM 387 1HG GLU A 22 2.658 15.218 -11.058 1.00 0.00 H ATOM 388 2HG GLU A 22 2.757 16.066 -9.516 1.00 0.00 H ATOM 389 N GLU A 23 4.314 12.447 -10.931 1.00 0.00 N ATOM 390 CA GLU A 23 3.585 11.301 -11.460 1.00 0.00 C ATOM 391 C GLU A 23 3.353 10.250 -10.382 1.00 0.00 C ATOM 392 O GLU A 23 2.227 9.796 -10.177 1.00 0.00 O ATOM 393 CB GLU A 23 4.345 10.682 -12.635 1.00 0.00 C ATOM 394 CG GLU A 23 3.678 9.453 -13.237 1.00 0.00 C ATOM 395 CD GLU A 23 4.466 8.856 -14.370 1.00 0.00 C ATOM 396 OE1 GLU A 23 5.428 9.459 -14.783 1.00 0.00 O ATOM 397 OE2 GLU A 23 4.106 7.796 -14.824 1.00 0.00 O ATOM 398 H GLU A 23 5.170 12.737 -11.382 1.00 0.00 H ATOM 399 HA GLU A 23 2.617 11.646 -11.827 1.00 0.00 H ATOM 400 1HB GLU A 23 4.458 11.423 -13.426 1.00 0.00 H ATOM 401 2HB GLU A 23 5.345 10.394 -12.310 1.00 0.00 H ATOM 402 1HG GLU A 23 3.557 8.700 -12.459 1.00 0.00 H ATOM 403 2HG GLU A 23 2.688 9.729 -13.596 1.00 0.00 H ATOM 404 N LEU A 24 4.424 9.867 -9.696 1.00 0.00 N ATOM 405 CA LEU A 24 4.341 8.860 -8.645 1.00 0.00 C ATOM 406 C LEU A 24 3.447 9.328 -7.503 1.00 0.00 C ATOM 407 O LEU A 24 2.681 8.545 -6.941 1.00 0.00 O ATOM 408 CB LEU A 24 5.741 8.539 -8.107 1.00 0.00 C ATOM 409 CG LEU A 24 6.678 7.815 -9.083 1.00 0.00 C ATOM 410 CD1 LEU A 24 8.091 7.801 -8.514 1.00 0.00 C ATOM 411 CD2 LEU A 24 6.170 6.401 -9.320 1.00 0.00 C ATOM 412 H LEU A 24 5.319 10.285 -9.907 1.00 0.00 H ATOM 413 HA LEU A 24 3.917 7.950 -9.070 1.00 0.00 H ATOM 414 1HB LEU A 24 6.223 9.470 -7.814 1.00 0.00 H ATOM 415 2HB LEU A 24 5.637 7.912 -7.221 1.00 0.00 H ATOM 416 HG LEU A 24 6.705 8.355 -10.029 1.00 0.00 H ATOM 417 1HD1 LEU A 24 8.757 7.288 -9.208 1.00 0.00 H ATOM 418 2HD1 LEU A 24 8.436 8.826 -8.373 1.00 0.00 H ATOM 419 3HD1 LEU A 24 8.093 7.281 -7.557 1.00 0.00 H ATOM 420 1HD2 LEU A 24 6.836 5.887 -10.014 1.00 0.00 H ATOM 421 2HD2 LEU A 24 6.145 5.860 -8.374 1.00 0.00 H ATOM 422 3HD2 LEU A 24 5.166 6.441 -9.743 1.00 0.00 H ATOM 423 N ALA A 25 3.549 10.609 -7.165 1.00 0.00 N ATOM 424 CA ALA A 25 2.766 11.178 -6.075 1.00 0.00 C ATOM 425 C ALA A 25 1.278 11.165 -6.400 1.00 0.00 C ATOM 426 O ALA A 25 0.449 10.845 -5.548 1.00 0.00 O ATOM 427 CB ALA A 25 3.230 12.595 -5.773 1.00 0.00 C ATOM 428 H ALA A 25 4.186 11.203 -7.676 1.00 0.00 H ATOM 429 HA ALA A 25 2.933 10.578 -5.179 1.00 0.00 H ATOM 430 1HB ALA A 25 2.636 13.007 -4.957 1.00 0.00 H ATOM 431 2HB ALA A 25 4.281 12.581 -5.485 1.00 0.00 H ATOM 432 3HB ALA A 25 3.106 13.215 -6.660 1.00 0.00 H ATOM 433 N ARG A 26 0.945 11.516 -7.638 1.00 0.00 N ATOM 434 CA ARG A 26 -0.440 11.505 -8.091 1.00 0.00 C ATOM 435 C ARG A 26 -1.009 10.092 -8.091 1.00 0.00 C ATOM 436 O ARG A 26 -2.172 9.880 -7.748 1.00 0.00 O ATOM 437 CB ARG A 26 -0.551 12.093 -9.490 1.00 0.00 C ATOM 438 CG ARG A 26 -0.349 13.598 -9.569 1.00 0.00 C ATOM 439 CD ARG A 26 -0.489 14.098 -10.961 1.00 0.00 C ATOM 440 NE ARG A 26 -0.250 15.530 -11.049 1.00 0.00 N ATOM 441 CZ ARG A 26 -1.163 16.477 -10.757 1.00 0.00 C ATOM 442 NH1 ARG A 26 -2.368 16.129 -10.362 1.00 0.00 N ATOM 443 NH2 ARG A 26 -0.848 17.755 -10.869 1.00 0.00 N ATOM 444 H ARG A 26 1.671 11.798 -8.281 1.00 0.00 H ATOM 445 HA ARG A 26 -1.032 12.120 -7.411 1.00 0.00 H ATOM 446 1HB ARG A 26 0.188 11.627 -10.139 1.00 0.00 H ATOM 447 2HB ARG A 26 -1.535 11.870 -9.901 1.00 0.00 H ATOM 448 1HG ARG A 26 -1.093 14.098 -8.948 1.00 0.00 H ATOM 449 2HG ARG A 26 0.650 13.850 -9.212 1.00 0.00 H ATOM 450 1HD ARG A 26 0.232 13.592 -11.603 1.00 0.00 H ATOM 451 2HD ARG A 26 -1.498 13.898 -11.319 1.00 0.00 H ATOM 452 HE ARG A 26 0.665 15.836 -11.350 1.00 0.00 H ATOM 453 1HH1 ARG A 26 -2.609 15.152 -10.276 1.00 0.00 H ATOM 454 2HH1 ARG A 26 -3.052 16.839 -10.144 1.00 0.00 H ATOM 455 1HH2 ARG A 26 0.078 18.023 -11.174 1.00 0.00 H ATOM 456 2HH2 ARG A 26 -1.532 18.465 -10.651 1.00 0.00 H ATOM 457 N LYS A 27 -0.181 9.127 -8.476 1.00 0.00 N ATOM 458 CA LYS A 27 -0.574 7.723 -8.446 1.00 0.00 C ATOM 459 C LYS A 27 -0.680 7.212 -7.015 1.00 0.00 C ATOM 460 O LYS A 27 -1.523 6.368 -6.708 1.00 0.00 O ATOM 461 CB LYS A 27 0.421 6.871 -9.236 1.00 0.00 C ATOM 462 CG LYS A 27 0.377 7.089 -10.743 1.00 0.00 C ATOM 463 CD LYS A 27 1.439 6.261 -11.452 1.00 0.00 C ATOM 464 CE LYS A 27 1.381 6.459 -12.959 1.00 0.00 C ATOM 465 NZ LYS A 27 2.463 5.715 -13.660 1.00 0.00 N ATOM 466 H LYS A 27 0.744 9.372 -8.799 1.00 0.00 H ATOM 467 HA LYS A 27 -1.549 7.626 -8.926 1.00 0.00 H ATOM 468 1HB LYS A 27 1.434 7.086 -8.896 1.00 0.00 H ATOM 469 2HB LYS A 27 0.228 5.815 -9.045 1.00 0.00 H ATOM 470 1HG LYS A 27 -0.605 6.807 -11.123 1.00 0.00 H ATOM 471 2HG LYS A 27 0.544 8.143 -10.963 1.00 0.00 H ATOM 472 1HD LYS A 27 2.427 6.552 -11.093 1.00 0.00 H ATOM 473 2HD LYS A 27 1.287 5.205 -11.228 1.00 0.00 H ATOM 474 1HE LYS A 27 0.419 6.114 -13.335 1.00 0.00 H ATOM 475 2HE LYS A 27 1.478 7.519 -13.191 1.00 0.00 H ATOM 476 1HZ LYS A 27 2.391 5.872 -14.655 1.00 0.00 H ATOM 477 2HZ LYS A 27 3.362 6.040 -13.333 1.00 0.00 H ATOM 478 3HZ LYS A 27 2.372 4.728 -13.468 1.00 0.00 H ATOM 479 N ALA A 28 0.179 7.727 -6.143 1.00 0.00 N ATOM 480 CA ALA A 28 0.129 7.387 -4.726 1.00 0.00 C ATOM 481 C ALA A 28 -1.143 7.918 -4.077 1.00 0.00 C ATOM 482 O ALA A 28 -1.719 7.275 -3.199 1.00 0.00 O ATOM 483 CB ALA A 28 1.355 7.929 -4.007 1.00 0.00 C ATOM 484 H ALA A 28 0.885 8.371 -6.469 1.00 0.00 H ATOM 485 HA ALA A 28 0.120 6.300 -4.638 1.00 0.00 H ATOM 486 1HB ALA A 28 1.303 7.667 -2.950 1.00 0.00 H ATOM 487 2HB ALA A 28 2.255 7.495 -4.444 1.00 0.00 H ATOM 488 3HB ALA A 28 1.388 9.012 -4.111 1.00 0.00 H ATOM 489 N GLY A 29 -1.578 9.095 -4.514 1.00 0.00 N ATOM 490 CA GLY A 29 -2.765 9.729 -3.954 1.00 0.00 C ATOM 491 C GLY A 29 -2.393 10.925 -3.086 1.00 0.00 C ATOM 492 O GLY A 29 -3.118 11.279 -2.157 1.00 0.00 O ATOM 493 H GLY A 29 -1.072 9.562 -5.253 1.00 0.00 H ATOM 494 1HA GLY A 29 -3.421 10.052 -4.763 1.00 0.00 H ATOM 495 2HA GLY A 29 -3.320 9.003 -3.361 1.00 0.00 H ATOM 496 N VAL A 30 -1.259 11.544 -3.396 1.00 0.00 N ATOM 497 CA VAL A 30 -0.784 12.696 -2.639 1.00 0.00 C ATOM 498 C VAL A 30 -1.447 13.981 -3.118 1.00 0.00 C ATOM 499 O VAL A 30 -1.578 14.213 -4.320 1.00 0.00 O ATOM 500 CB VAL A 30 0.745 12.830 -2.772 1.00 0.00 C ATOM 501 CG1 VAL A 30 1.234 14.084 -2.062 1.00 0.00 C ATOM 502 CG2 VAL A 30 1.424 11.591 -2.209 1.00 0.00 C ATOM 503 H VAL A 30 -0.711 11.208 -4.175 1.00 0.00 H ATOM 504 HA VAL A 30 -1.040 12.550 -1.589 1.00 0.00 H ATOM 505 HB VAL A 30 1.000 12.938 -3.827 1.00 0.00 H ATOM 506 1HG1 VAL A 30 2.316 14.163 -2.167 1.00 0.00 H ATOM 507 2HG1 VAL A 30 0.762 14.960 -2.505 1.00 0.00 H ATOM 508 3HG1 VAL A 30 0.975 14.027 -1.005 1.00 0.00 H ATOM 509 1HG2 VAL A 30 2.504 11.692 -2.307 1.00 0.00 H ATOM 510 2HG2 VAL A 30 1.164 11.481 -1.156 1.00 0.00 H ATOM 511 3HG2 VAL A 30 1.091 10.711 -2.759 1.00 0.00 H ATOM 512 N SER A 31 -1.864 14.815 -2.171 1.00 0.00 N ATOM 513 CA SER A 31 -2.524 16.074 -2.495 1.00 0.00 C ATOM 514 C SER A 31 -1.643 16.946 -3.380 1.00 0.00 C ATOM 515 O SER A 31 -0.425 16.994 -3.205 1.00 0.00 O ATOM 516 CB SER A 31 -2.876 16.821 -1.224 1.00 0.00 C ATOM 517 OG SER A 31 -3.389 18.092 -1.514 1.00 0.00 O ATOM 518 H SER A 31 -1.720 14.570 -1.202 1.00 0.00 H ATOM 519 HA SER A 31 -3.442 15.853 -3.040 1.00 0.00 H ATOM 520 1HB SER A 31 -3.611 16.250 -0.657 1.00 0.00 H ATOM 521 2HB SER A 31 -1.987 16.918 -0.601 1.00 0.00 H ATOM 522 HG SER A 31 -3.890 18.359 -0.739 1.00 0.00 H ATOM 523 N GLU A 32 -2.265 17.634 -4.331 1.00 0.00 N ATOM 524 CA GLU A 32 -1.539 18.511 -5.242 1.00 0.00 C ATOM 525 C GLU A 32 -0.851 19.642 -4.486 1.00 0.00 C ATOM 526 O GLU A 32 0.165 20.172 -4.934 1.00 0.00 O ATOM 527 CB GLU A 32 -2.487 19.091 -6.294 1.00 0.00 C ATOM 528 CG GLU A 32 -2.983 18.080 -7.318 1.00 0.00 C ATOM 529 CD GLU A 32 -3.938 18.677 -8.314 1.00 0.00 C ATOM 530 OE1 GLU A 32 -4.541 19.676 -8.005 1.00 0.00 O ATOM 531 OE2 GLU A 32 -4.064 18.133 -9.386 1.00 0.00 O ATOM 532 H GLU A 32 -3.267 17.547 -4.426 1.00 0.00 H ATOM 533 HA GLU A 32 -0.779 17.923 -5.758 1.00 0.00 H ATOM 534 1HB GLU A 32 -3.358 19.522 -5.800 1.00 0.00 H ATOM 535 2HB GLU A 32 -1.985 19.894 -6.833 1.00 0.00 H ATOM 536 1HG GLU A 32 -2.127 17.671 -7.853 1.00 0.00 H ATOM 537 2HG GLU A 32 -3.476 17.261 -6.795 1.00 0.00 H ATOM 538 N GLU A 33 -1.412 20.006 -3.338 1.00 0.00 N ATOM 539 CA GLU A 33 -0.822 21.034 -2.490 1.00 0.00 C ATOM 540 C GLU A 33 0.513 20.577 -1.918 1.00 0.00 C ATOM 541 O GLU A 33 1.469 21.350 -1.852 1.00 0.00 O ATOM 542 CB GLU A 33 -1.777 21.399 -1.351 1.00 0.00 C ATOM 543 CG GLU A 33 -3.032 22.137 -1.795 1.00 0.00 C ATOM 544 CD GLU A 33 -3.978 22.418 -0.661 1.00 0.00 C ATOM 545 OE1 GLU A 33 -3.746 21.926 0.417 1.00 0.00 O ATOM 546 OE2 GLU A 33 -4.934 23.127 -0.873 1.00 0.00 O ATOM 547 H GLU A 33 -2.270 19.559 -3.046 1.00 0.00 H ATOM 548 HA GLU A 33 -0.657 21.928 -3.093 1.00 0.00 H ATOM 549 1HB GLU A 33 -2.089 20.492 -0.832 1.00 0.00 H ATOM 550 2HB GLU A 33 -1.258 22.028 -0.628 1.00 0.00 H ATOM 551 1HG GLU A 33 -2.742 23.082 -2.254 1.00 0.00 H ATOM 552 2HG GLU A 33 -3.544 21.541 -2.550 1.00 0.00 H ATOM 553 N LYS A 34 0.573 19.315 -1.505 1.00 0.00 N ATOM 554 CA LYS A 34 1.810 18.733 -0.998 1.00 0.00 C ATOM 555 C LYS A 34 2.834 18.557 -2.112 1.00 0.00 C ATOM 556 O LYS A 34 4.029 18.772 -1.910 1.00 0.00 O ATOM 557 CB LYS A 34 1.532 17.389 -0.323 1.00 0.00 C ATOM 558 CG LYS A 34 0.767 17.491 0.990 1.00 0.00 C ATOM 559 CD LYS A 34 0.514 16.116 1.590 1.00 0.00 C ATOM 560 CE LYS A 34 -0.249 16.216 2.903 1.00 0.00 C ATOM 561 NZ LYS A 34 -0.523 14.877 3.491 1.00 0.00 N ATOM 562 H LYS A 34 -0.259 18.745 -1.543 1.00 0.00 H ATOM 563 HA LYS A 34 2.225 19.404 -0.244 1.00 0.00 H ATOM 564 1HB LYS A 34 0.956 16.755 -0.997 1.00 0.00 H ATOM 565 2HB LYS A 34 2.476 16.881 -0.121 1.00 0.00 H ATOM 566 1HG LYS A 34 1.340 18.088 1.700 1.00 0.00 H ATOM 567 2HG LYS A 34 -0.189 17.984 0.817 1.00 0.00 H ATOM 568 1HD LYS A 34 -0.064 15.513 0.889 1.00 0.00 H ATOM 569 2HD LYS A 34 1.466 15.617 1.772 1.00 0.00 H ATOM 570 1HE LYS A 34 0.329 16.801 3.616 1.00 0.00 H ATOM 571 2HE LYS A 34 -1.198 16.725 2.734 1.00 0.00 H ATOM 572 1HZ LYS A 34 -1.029 14.986 4.358 1.00 0.00 H ATOM 573 2HZ LYS A 34 -1.075 14.331 2.845 1.00 0.00 H ATOM 574 3HZ LYS A 34 0.351 14.402 3.670 1.00 0.00 H ATOM 575 N ILE A 35 2.358 18.166 -3.289 1.00 0.00 N ATOM 576 CA ILE A 35 3.221 18.025 -4.456 1.00 0.00 C ATOM 577 C ILE A 35 3.822 19.364 -4.862 1.00 0.00 C ATOM 578 O ILE A 35 5.028 19.473 -5.083 1.00 0.00 O ATOM 579 CB ILE A 35 2.445 17.428 -5.644 1.00 0.00 C ATOM 580 CG1 ILE A 35 2.043 15.981 -5.347 1.00 0.00 C ATOM 581 CG2 ILE A 35 3.278 17.502 -6.915 1.00 0.00 C ATOM 582 CD1 ILE A 35 1.039 15.413 -6.323 1.00 0.00 C ATOM 583 H ILE A 35 1.373 17.961 -3.379 1.00 0.00 H ATOM 584 HA ILE A 35 4.032 17.339 -4.206 1.00 0.00 H ATOM 585 HB ILE A 35 1.522 17.987 -5.793 1.00 0.00 H ATOM 586 1HG1 ILE A 35 2.929 15.347 -5.361 1.00 0.00 H ATOM 587 2HG1 ILE A 35 1.615 15.920 -4.346 1.00 0.00 H ATOM 588 1HG2 ILE A 35 2.715 17.075 -7.744 1.00 0.00 H ATOM 589 2HG2 ILE A 35 3.515 18.542 -7.134 1.00 0.00 H ATOM 590 3HG2 ILE A 35 4.202 16.940 -6.777 1.00 0.00 H ATOM 591 1HD1 ILE A 35 0.803 14.385 -6.047 1.00 0.00 H ATOM 592 2HD1 ILE A 35 0.129 16.013 -6.300 1.00 0.00 H ATOM 593 3HD1 ILE A 35 1.459 15.430 -7.328 1.00 0.00 H ATOM 594 N GLU A 36 2.974 20.382 -4.959 1.00 0.00 N ATOM 595 CA GLU A 36 3.426 21.727 -5.295 1.00 0.00 C ATOM 596 C GLU A 36 4.477 22.217 -4.308 1.00 0.00 C ATOM 597 O GLU A 36 5.516 22.746 -4.704 1.00 0.00 O ATOM 598 CB GLU A 36 2.243 22.698 -5.318 1.00 0.00 C ATOM 599 CG GLU A 36 2.615 24.134 -5.657 1.00 0.00 C ATOM 600 CD GLU A 36 1.427 25.056 -5.679 1.00 0.00 C ATOM 601 OE1 GLU A 36 0.322 24.570 -5.702 1.00 0.00 O ATOM 602 OE2 GLU A 36 1.626 26.248 -5.672 1.00 0.00 O ATOM 603 H GLU A 36 1.990 20.221 -4.796 1.00 0.00 H ATOM 604 HA GLU A 36 3.866 21.705 -6.293 1.00 0.00 H ATOM 605 1HB GLU A 36 1.510 22.360 -6.051 1.00 0.00 H ATOM 606 2HB GLU A 36 1.755 22.700 -4.344 1.00 0.00 H ATOM 607 1HG GLU A 36 3.329 24.497 -4.919 1.00 0.00 H ATOM 608 2HG GLU A 36 3.100 24.152 -6.632 1.00 0.00 H ATOM 609 N GLU A 37 4.202 22.039 -3.021 1.00 0.00 N ATOM 610 CA GLU A 37 5.133 22.445 -1.974 1.00 0.00 C ATOM 611 C GLU A 37 6.511 21.834 -2.195 1.00 0.00 C ATOM 612 O GLU A 37 7.522 22.536 -2.173 1.00 0.00 O ATOM 613 CB GLU A 37 4.599 22.040 -0.599 1.00 0.00 C ATOM 614 CG GLU A 37 5.498 22.432 0.565 1.00 0.00 C ATOM 615 CD GLU A 37 4.940 22.022 1.900 1.00 0.00 C ATOM 616 OE1 GLU A 37 3.828 21.553 1.938 1.00 0.00 O ATOM 617 OE2 GLU A 37 5.627 22.179 2.882 1.00 0.00 O ATOM 618 H GLU A 37 3.325 21.610 -2.760 1.00 0.00 H ATOM 619 HA GLU A 37 5.224 23.532 -1.996 1.00 0.00 H ATOM 620 1HB GLU A 37 3.623 22.499 -0.437 1.00 0.00 H ATOM 621 2HB GLU A 37 4.461 20.959 -0.566 1.00 0.00 H ATOM 622 1HG GLU A 37 6.473 21.963 0.432 1.00 0.00 H ATOM 623 2HG GLU A 37 5.641 23.512 0.552 1.00 0.00 H ATOM 624 N TRP A 38 6.544 20.523 -2.408 1.00 0.00 N ATOM 625 CA TRP A 38 7.796 19.820 -2.660 1.00 0.00 C ATOM 626 C TRP A 38 8.509 20.386 -3.882 1.00 0.00 C ATOM 627 O TRP A 38 9.723 20.588 -3.865 1.00 0.00 O ATOM 628 CB TRP A 38 7.536 18.326 -2.864 1.00 0.00 C ATOM 629 CG TRP A 38 8.779 17.533 -3.133 1.00 0.00 C ATOM 630 CD1 TRP A 38 9.559 16.901 -2.211 1.00 0.00 C ATOM 631 CD2 TRP A 38 9.396 17.282 -4.419 1.00 0.00 C ATOM 632 NE1 TRP A 38 10.614 16.279 -2.831 1.00 0.00 N ATOM 633 CE2 TRP A 38 10.529 16.500 -4.182 1.00 0.00 C ATOM 634 CE3 TRP A 38 9.081 17.653 -5.732 1.00 0.00 C ATOM 635 CZ2 TRP A 38 11.357 16.078 -5.210 1.00 0.00 C ATOM 636 CZ3 TRP A 38 9.911 17.229 -6.764 1.00 0.00 C ATOM 637 CH2 TRP A 38 11.019 16.461 -6.508 1.00 0.00 C ATOM 638 H TRP A 38 5.680 20.001 -2.394 1.00 0.00 H ATOM 639 HA TRP A 38 8.442 19.941 -1.791 1.00 0.00 H ATOM 640 1HB TRP A 38 7.054 17.916 -1.976 1.00 0.00 H ATOM 641 2HB TRP A 38 6.852 18.186 -3.701 1.00 0.00 H ATOM 642 HD1 TRP A 38 9.372 16.892 -1.139 1.00 0.00 H ATOM 643 HE1 TRP A 38 11.336 15.745 -2.369 1.00 0.00 H ATOM 644 HE3 TRP A 38 8.201 18.260 -5.941 1.00 0.00 H ATOM 645 HZ2 TRP A 38 12.242 15.468 -5.028 1.00 0.00 H ATOM 646 HZ3 TRP A 38 9.659 17.522 -7.783 1.00 0.00 H ATOM 647 HH2 TRP A 38 11.648 16.145 -7.341 1.00 0.00 H ATOM 648 N LYS A 39 7.747 20.640 -4.940 1.00 0.00 N ATOM 649 CA LYS A 39 8.307 21.172 -6.177 1.00 0.00 C ATOM 650 C LYS A 39 8.928 22.545 -5.955 1.00 0.00 C ATOM 651 O LYS A 39 9.971 22.864 -6.525 1.00 0.00 O ATOM 652 CB LYS A 39 7.231 21.250 -7.262 1.00 0.00 C ATOM 653 CG LYS A 39 6.808 19.901 -7.827 1.00 0.00 C ATOM 654 CD LYS A 39 5.560 20.029 -8.687 1.00 0.00 C ATOM 655 CE LYS A 39 5.851 20.777 -9.979 1.00 0.00 C ATOM 656 NZ LYS A 39 4.691 20.752 -10.911 1.00 0.00 N ATOM 657 H LYS A 39 6.755 20.460 -4.887 1.00 0.00 H ATOM 658 HA LYS A 39 9.083 20.490 -6.527 1.00 0.00 H ATOM 659 1HB LYS A 39 6.343 21.738 -6.859 1.00 0.00 H ATOM 660 2HB LYS A 39 7.593 21.861 -8.089 1.00 0.00 H ATOM 661 1HG LYS A 39 7.616 19.490 -8.433 1.00 0.00 H ATOM 662 2HG LYS A 39 6.605 19.211 -7.008 1.00 0.00 H ATOM 663 1HD LYS A 39 5.181 19.035 -8.929 1.00 0.00 H ATOM 664 2HD LYS A 39 4.790 20.566 -8.133 1.00 0.00 H ATOM 665 1HE LYS A 39 6.096 21.813 -9.752 1.00 0.00 H ATOM 666 2HE LYS A 39 6.709 20.325 -10.476 1.00 0.00 H ATOM 667 1HZ LYS A 39 4.925 21.257 -11.754 1.00 0.00 H ATOM 668 2HZ LYS A 39 4.466 19.795 -11.144 1.00 0.00 H ATOM 669 3HZ LYS A 39 3.894 21.186 -10.468 1.00 0.00 H ATOM 670 N ARG A 40 8.280 23.354 -5.123 1.00 0.00 N ATOM 671 CA ARG A 40 8.795 24.675 -4.784 1.00 0.00 C ATOM 672 C ARG A 40 10.055 24.575 -3.934 1.00 0.00 C ATOM 673 O ARG A 40 10.990 25.358 -4.099 1.00 0.00 O ATOM 674 CB ARG A 40 7.745 25.483 -4.036 1.00 0.00 C ATOM 675 CG ARG A 40 6.570 25.945 -4.883 1.00 0.00 C ATOM 676 CD ARG A 40 5.601 26.744 -4.089 1.00 0.00 C ATOM 677 NE ARG A 40 4.445 27.135 -4.879 1.00 0.00 N ATOM 678 CZ ARG A 40 4.399 28.214 -5.684 1.00 0.00 C ATOM 679 NH1 ARG A 40 5.449 28.997 -5.795 1.00 0.00 N ATOM 680 NH2 ARG A 40 3.297 28.486 -6.363 1.00 0.00 N ATOM 681 H ARG A 40 7.409 23.045 -4.715 1.00 0.00 H ATOM 682 HA ARG A 40 9.038 25.200 -5.709 1.00 0.00 H ATOM 683 1HB ARG A 40 7.345 24.888 -3.215 1.00 0.00 H ATOM 684 2HB ARG A 40 8.208 26.369 -3.602 1.00 0.00 H ATOM 685 1HG ARG A 40 6.934 26.565 -5.703 1.00 0.00 H ATOM 686 2HG ARG A 40 6.048 25.077 -5.288 1.00 0.00 H ATOM 687 1HD ARG A 40 5.251 26.154 -3.242 1.00 0.00 H ATOM 688 2HD ARG A 40 6.087 27.648 -3.724 1.00 0.00 H ATOM 689 HE ARG A 40 3.617 26.557 -4.819 1.00 0.00 H ATOM 690 1HH1 ARG A 40 6.291 28.790 -5.277 1.00 0.00 H ATOM 691 2HH1 ARG A 40 5.414 29.806 -6.399 1.00 0.00 H ATOM 692 1HH2 ARG A 40 2.490 27.884 -6.277 1.00 0.00 H ATOM 693 2HH2 ARG A 40 3.263 29.294 -6.966 1.00 0.00 H ATOM 694 N ARG A 41 10.073 23.606 -3.025 1.00 0.00 N ATOM 695 CA ARG A 41 11.243 23.361 -2.190 1.00 0.00 C ATOM 696 C ARG A 41 12.386 22.768 -3.004 1.00 0.00 C ATOM 697 O ARG A 41 13.554 23.078 -2.770 1.00 0.00 O ATOM 698 CB ARG A 41 10.897 22.420 -1.046 1.00 0.00 C ATOM 699 CG ARG A 41 9.980 23.011 0.013 1.00 0.00 C ATOM 700 CD ARG A 41 9.729 22.052 1.119 1.00 0.00 C ATOM 701 NE ARG A 41 8.737 22.553 2.057 1.00 0.00 N ATOM 702 CZ ARG A 41 8.996 23.424 3.052 1.00 0.00 C ATOM 703 NH1 ARG A 41 10.216 23.880 3.226 1.00 0.00 N ATOM 704 NH2 ARG A 41 8.022 23.820 3.853 1.00 0.00 N ATOM 705 H ARG A 41 9.255 23.025 -2.909 1.00 0.00 H ATOM 706 HA ARG A 41 11.572 24.312 -1.767 1.00 0.00 H ATOM 707 1HB ARG A 41 10.411 21.530 -1.442 1.00 0.00 H ATOM 708 2HB ARG A 41 11.812 22.100 -0.548 1.00 0.00 H ATOM 709 1HG ARG A 41 10.439 23.906 0.434 1.00 0.00 H ATOM 710 2HG ARG A 41 9.022 23.272 -0.438 1.00 0.00 H ATOM 711 1HD ARG A 41 9.365 21.111 0.709 1.00 0.00 H ATOM 712 2HD ARG A 41 10.655 21.876 1.665 1.00 0.00 H ATOM 713 HE ARG A 41 7.785 22.225 1.955 1.00 0.00 H ATOM 714 1HH1 ARG A 41 10.960 23.577 2.613 1.00 0.00 H ATOM 715 2HH1 ARG A 41 10.410 24.532 3.972 1.00 0.00 H ATOM 716 1HH2 ARG A 41 7.083 23.470 3.720 1.00 0.00 H ATOM 717 2HH2 ARG A 41 8.216 24.472 4.599 1.00 0.00 H ATOM 718 N TRP A 42 12.042 21.912 -3.960 1.00 0.00 N ATOM 719 CA TRP A 42 13.040 21.255 -4.795 1.00 0.00 C ATOM 720 C TRP A 42 13.710 22.247 -5.737 1.00 0.00 C ATOM 721 O TRP A 42 14.934 22.269 -5.863 1.00 0.00 O ATOM 722 CB TRP A 42 12.399 20.128 -5.607 1.00 0.00 C ATOM 723 CG TRP A 42 13.348 19.455 -6.551 1.00 0.00 C ATOM 724 CD1 TRP A 42 14.248 18.478 -6.244 1.00 0.00 C ATOM 725 CD2 TRP A 42 13.498 19.706 -7.970 1.00 0.00 C ATOM 726 NE1 TRP A 42 14.945 18.107 -7.367 1.00 0.00 N ATOM 727 CE2 TRP A 42 14.498 18.846 -8.432 1.00 0.00 C ATOM 728 CE3 TRP A 42 12.872 20.577 -8.870 1.00 0.00 C ATOM 729 CZ2 TRP A 42 14.894 18.829 -9.760 1.00 0.00 C ATOM 730 CZ3 TRP A 42 13.268 20.559 -10.202 1.00 0.00 C ATOM 731 CH2 TRP A 42 14.253 19.707 -10.635 1.00 0.00 C ATOM 732 H TRP A 42 11.064 21.711 -4.113 1.00 0.00 H ATOM 733 HA TRP A 42 13.802 20.820 -4.147 1.00 0.00 H ATOM 734 1HB TRP A 42 11.996 19.375 -4.930 1.00 0.00 H ATOM 735 2HB TRP A 42 11.565 20.527 -6.186 1.00 0.00 H ATOM 736 HD1 TRP A 42 14.392 18.055 -5.251 1.00 0.00 H ATOM 737 HE1 TRP A 42 15.669 17.404 -7.404 1.00 0.00 H ATOM 738 HE3 TRP A 42 12.088 21.254 -8.532 1.00 0.00 H ATOM 739 HZ2 TRP A 42 15.674 18.160 -10.124 1.00 0.00 H ATOM 740 HZ3 TRP A 42 12.777 21.241 -10.896 1.00 0.00 H ATOM 741 HH2 TRP A 42 14.539 19.719 -11.687 1.00 0.00 H ATOM 742 N SER A 43 12.900 23.068 -6.397 1.00 0.00 N ATOM 743 CA SER A 43 13.411 24.050 -7.345 1.00 0.00 C ATOM 744 C SER A 43 14.154 25.172 -6.630 1.00 0.00 C ATOM 745 O SER A 43 13.838 25.509 -5.489 1.00 0.00 O ATOM 746 OXT SER A 43 15.058 25.739 -7.180 1.00 0.00 O ATOM 747 CB SER A 43 12.273 24.627 -8.164 1.00 0.00 C ATOM 748 OG SER A 43 12.730 25.642 -9.015 1.00 0.00 O ATOM 749 H SER A 43 11.904 23.010 -6.237 1.00 0.00 H ATOM 750 HA SER A 43 14.112 23.552 -8.016 1.00 0.00 H ATOM 751 1HB SER A 43 11.812 23.835 -8.754 1.00 0.00 H ATOM 752 2HB SER A 43 11.510 25.024 -7.497 1.00 0.00 H ATOM 753 HG SER A 43 12.253 26.435 -8.760 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE nods_bigger.blueprint.34_try127_pass_20150323062520_0001_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 rama omega fa_dun p_aa_pp ref total weights 0.8 0.44 0.75 0.004 0.7 1 1.17 1.17 1.17 1.1 1 0.2 0.5 0.56 0.32 1 NA pose -178.322 15.3455 99.0425 0.37021 -24.2042 0.11235 -24.0259 -1.71938 -0.70131 -7.23363 0 -6.16204 1.71919 52.9101 -4.71763 -14.434 -92.02 PRO:NtermProteinFull_1 -2.09004 0.20993 1.64409 0.00691 -0.01124 0.11235 0 0 0 0 0 0 0.03383 0.05998 0 -0.21929 -0.25348 ASP_2 -2.41301 0.25227 1.74709 0.00333 -0.11958 0 0 0 0 0 0 -0.12591 0.00801 1.29568 0.04685 -1.28682 -0.59209 ASP_3 -2.79404 0.29189 1.95748 0.00337 -0.38028 0 0 0 0 0 0 -0.15611 0.20213 1.2797 0.01792 -1.28682 -0.86475 GLU_4 -4.0011 0.43407 2.67149 0.00715 -0.89851 0 0 0 0 -0.29664 0 -0.12775 0.01291 2.17914 -0.10463 -1.55374 -1.67762 TRP_5 -7.2065 0.54066 2.87468 0.02152 -0.23582 0 0 0 0 0 0 -0.20511 0.02752 1.49401 0.01708 0.92933 -1.74263 LYS_6 -4.1056 0.3648 2.54064 0.00313 -0.66749 0 0 0 0 0 0 -0.18761 0.00534 0.8912 -0.0486 -0.28737 -1.49156 GLU_7 -4.05476 0.27829 3.08704 0.0054 -1.17719 0 0 0 0 -0.25657 0 -0.24319 0.05474 2.38352 -0.1588 -1.55374 -1.63526 ARG_8 -5.04346 0.41859 2.86661 0.00955 -0.98638 0 0 0 0 -0.29664 0 -0.20479 0.04403 1.62047 -0.08851 -0.14916 -1.80968 LEU_9 -5.49741 0.45633 1.94761 0.00708 -0.28802 0 0 0 0 0 0 -0.12655 0.10812 0.19606 -0.12405 0.60233 -2.7185 ARG_10 -5.15246 0.48416 4.29967 0.01479 -2.07555 0 0 0 0 -0.43668 0 -0.12421 0.08195 1.48527 -0.09749 -0.14916 -1.66971 GLU_11 -4.1354 0.40098 2.93754 0.00786 -1.11735 0 0 0 0 -0.25208 0 -0.03485 0.00578 2.0976 -0.10587 -1.55374 -1.74952 ALA_12 -4.35854 0.25764 1.78298 0.00074 -0.25913 0 0 0 0 0 0 -0.17633 0.03022 0 -0.19324 0.59294 -2.3227 GLU_13 -3.96145 0.42063 2.46977 0.00513 -0.55967 0 0 0 0 -0.50476 0 -0.11363 0.05607 2.93298 -0.1078 -1.55374 -0.91646 GLU_14 -3.29026 0.35376 2.5057 0.00455 -0.93577 0 0 0 0 -0.18011 0 -0.29057 0.00163 2.17622 -0.13838 -1.55374 -1.34697 LYS_15 -3.12142 0.50331 2.16562 0.00361 -0.94651 0 0 0 0 -0.25208 0 -0.19525 0.08473 0.76884 -0.04648 -0.28737 -1.32299 ASN_16 -2.93159 0.41116 2.03536 0.00473 -0.31851 0 0 0 0 -0.28625 0 -0.32585 0.03334 1.36592 -0.56137 -0.94198 -1.51502 ASN_17 -4.03599 0.39097 2.60607 0.01375 -0.60237 0 0 0 -0.25141 0 0 0.09536 0.2542 1.53266 -0.17368 -0.94198 -1.11242 TRP_18 -5.5865 0.45676 2.35706 0.02915 0.05053 0 0 0 0 0 0 -0.22178 0.06501 1.30511 0.04037 0.92933 -0.57495 LYS_19 -3.98516 0.4607 1.99401 0.00308 -0.00909 0 0 0 0 0 0 -0.1467 0.12055 0.85499 -0.03894 -0.28737 -1.03393 LEU_20 -4.55668 0.4324 2.23628 0.00919 -0.29477 0 0 0 -0.25141 0 0 -0.07836 0.00318 0.45043 -0.11372 0.60233 -1.56113 PHE_21 -8.11547 0.63976 2.31113 0.03113 -0.18311 0 0 0 0 0 0 0.02949 0.00088 1.68306 -0.14376 0.43057 -3.31632 GLU_22 -5.25416 0.39557 3.69093 0.00715 -1.86415 0 0 0 0 -0.92463 0 -0.15134 0.04751 2.43538 -0.10348 -1.55374 -3.27496 GLU_23 -4.03097 0.30013 2.75398 0.00774 -0.8503 0 0 0 0 0 0 -0.04879 0.00141 2.11756 -0.10518 -1.55374 -1.40816 LEU_24 -5.64183 0.52258 1.96386 0.00614 -0.35392 0 0 0 0 0 0 -0.11359 0.0053 0.27387 -0.12297 0.60233 -2.85822 ALA_25 -4.71084 0.47929 1.90253 0.00073 -0.43163 0 0 0 0 0 0 -0.14355 0.01937 0 -0.15315 0.59294 -2.44431 ARG_26 -4.40401 0.23895 3.1431 0.00963 -1.5833 0 0 0 0 -0.85607 0 -0.21916 0.06837 1.60182 -0.08996 -0.14916 -2.23982 LYS_27 -3.65263 0.31367 1.99565 0.00313 -0.54765 0 0 0 0 0 0 -0.25603 0.07734 0.74185 -0.02856 -0.28737 -1.6406 ALA_28 -3.28276 0.22181 1.25046 0.00075 -0.04226 0 0 0 0 0 0 -0.21809 0.011 0 -0.15271 0.59294 -1.61884 GLY_29 -1.30475 0.11382 0.85035 2e-05 0.06429 0 0 0 0 0 0 0.07615 0.00093 0 -0.78575 0.14053 -0.84441 VAL_30 -2.92234 0.30739 0.99283 0.01327 0.04202 0 0 0 0 0 0 -0.21008 0.00121 0.04465 -0.08535 0.74484 -1.07156 SER_31 -2.83207 0.43893 1.86129 0.00175 -0.52336 0 0 0 -0.09925 0 0 -0.24119 0.00041 0.38982 -0.02891 0.17658 -0.856 GLU_32 -2.79578 0.15221 2.02148 0.00416 -1.02303 0 0 0 0 -0.3197 0 -0.28486 0.03644 2.27222 -0.13761 -1.55374 -1.62821 GLU_33 -2.35638 0.31887 1.62325 0.00452 -0.06495 0 0 0 -0.09925 0 0 -0.22523 0.04669 2.11924 -0.13029 -1.55374 -0.31726 LYS_34 -3.13336 0.15789 1.65073 0.0031 0.03921 0 0 0 0 0 0 -0.22184 0.04909 0.75364 -0.02987 -0.28737 -1.01879 ILE_35 -5.46982 0.40672 2.10214 0.01963 -0.21855 0 0 0 0 0 0 -0.00274 0.02204 0.07233 -0.13563 0.8318 -2.37207 GLU_36 -4.17172 0.35441 2.84043 0.00729 -1.14155 0 0 0 0 -0.30475 0 -0.12984 0.00432 2.23597 -0.0981 -1.55374 -1.95728 GLU_37 -4.14969 0.38341 2.84995 0.00723 -0.97708 0 0 0 0 -0.29133 0 -0.0513 0.00781 2.07447 -0.09856 -1.55374 -1.79882 TRP_38 -8.66203 0.67104 2.959 0.02759 -0.71059 0 0 0 0 -0.50476 0 -0.13521 0.00162 1.27456 -0.03839 0.92933 -4.18785 LYS_39 -5.10134 0.3707 3.06346 0.00541 -0.95943 0 0 0 0 -0.38826 0 -0.22521 0.02927 1.76391 -0.04634 -0.28737 -1.77521 ARG_40 -3.60031 0.2178 2.50079 0.00954 -0.76311 0 0 0 0 -0.30475 0 -0.19883 0.04365 1.56477 -0.10019 -0.14916 -0.77979 ARG_41 -3.13807 0.17059 2.21382 0.00961 -0.62837 0 0 0 0 -0.29133 0 -0.19763 0.00632 1.58478 -0.10435 -0.14916 -0.5238 TRP_42 -5.31318 0.30031 2.30868 0.02494 0.00414 0 0 0 0 -0.28625 0 -0.00397 0.00493 1.29168 -0.01919 0.92933 -0.75857 SER:CtermProteinFull_43 -1.95689 0.05037 1.46583 0.00172 0.34515 0 0 0 0 0 0 0 0 0.24478 0 0.17658 0.32754 #END_POSE_ENERGIES_TABLE nods_bigger.blueprint.34_try127_pass_20150323062520_0001_0001.pdb AlaCount 3 bb -0.0399763 buried_minus_exposed 3423.12 buried_np 5231.06 buried_over_exposed 2.89336 cavity_volume 10.2793 contact_all 376 contact_core_SASA 376 contact_core_SCN 376 degree 9.69767 degree_core_SASA 9.69767 degree_core_SCN 9.69767 exposed_hydrophobics 1807.94 holes 2.1741 mismatch_probability 0.148537 one_core_each 0.666667 pack 0.626453 percent_core_SASA 0.0697512 percent_core_SCN 0.0697512 res_count_core_SASA 3 res_count_core_SCN 3 ss_sc 0.750753 two_core_each 0.333333 unsat_hbond 2
HHH_rd1_0756.pdb
ATOM 1 N PRO A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA PRO A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C PRO A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O PRO A 1 2.081 2.068 -1.044 1.00 0.00 O ATOM 5 CB PRO A 1 1.803 -0.740 -1.297 1.00 0.00 C ATOM 6 CG PRO A 1 0.657 -0.442 -2.203 1.00 0.00 C ATOM 7 CD PRO A 1 -0.546 -0.441 -1.297 1.00 0.00 C ATOM 8 1H PRO A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 9 2H PRO A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 10 HA PRO A 1 1.820 -0.555 0.878 1.00 0.00 H ATOM 11 1HB PRO A 1 2.764 -0.379 -1.691 1.00 0.00 H ATOM 12 2HB PRO A 1 1.921 -1.815 -1.097 1.00 0.00 H ATOM 13 1HG PRO A 1 0.811 0.525 -2.705 1.00 0.00 H ATOM 14 2HG PRO A 1 0.591 -1.204 -2.994 1.00 0.00 H ATOM 15 1HD PRO A 1 -1.292 0.272 -1.679 1.00 0.00 H ATOM 16 2HD PRO A 1 -0.968 -1.455 -1.246 1.00 0.00 H ATOM 17 N LYS A 2 2.396 1.899 1.177 1.00 0.00 N ATOM 18 CA LYS A 2 2.922 3.252 1.319 1.00 0.00 C ATOM 19 C LYS A 2 4.261 3.399 0.607 1.00 0.00 C ATOM 20 O LYS A 2 4.625 4.490 0.169 1.00 0.00 O ATOM 21 CB LYS A 2 3.068 3.618 2.796 1.00 0.00 C ATOM 22 CG LYS A 2 1.748 3.835 3.524 1.00 0.00 C ATOM 23 CD LYS A 2 1.976 4.193 4.985 1.00 0.00 C ATOM 24 CE LYS A 2 0.658 4.405 5.716 1.00 0.00 C ATOM 25 NZ LYS A 2 0.861 4.666 7.167 1.00 0.00 N ATOM 26 H LYS A 2 2.324 1.311 1.995 1.00 0.00 H ATOM 27 HA LYS A 2 2.211 3.948 0.873 1.00 0.00 H ATOM 28 1HB LYS A 2 3.611 2.827 3.315 1.00 0.00 H ATOM 29 2HB LYS A 2 3.655 4.532 2.889 1.00 0.00 H ATOM 30 1HG LYS A 2 1.196 4.642 3.043 1.00 0.00 H ATOM 31 2HG LYS A 2 1.150 2.926 3.471 1.00 0.00 H ATOM 32 1HD LYS A 2 2.528 3.390 5.476 1.00 0.00 H ATOM 33 2HD LYS A 2 2.565 5.107 5.048 1.00 0.00 H ATOM 34 1HE LYS A 2 0.131 5.251 5.277 1.00 0.00 H ATOM 35 2HE LYS A 2 0.033 3.519 5.604 1.00 0.00 H ATOM 36 1HZ LYS A 2 -0.035 4.800 7.614 1.00 0.00 H ATOM 37 2HZ LYS A 2 1.333 3.878 7.588 1.00 0.00 H ATOM 38 3HZ LYS A 2 1.423 5.497 7.284 1.00 0.00 H ATOM 39 N ASP A 3 4.991 2.294 0.496 1.00 0.00 N ATOM 40 CA ASP A 3 6.247 2.277 -0.244 1.00 0.00 C ATOM 41 C ASP A 3 6.021 2.586 -1.719 1.00 0.00 C ATOM 42 O ASP A 3 6.786 3.332 -2.331 1.00 0.00 O ATOM 43 CB ASP A 3 6.935 0.918 -0.101 1.00 0.00 C ATOM 44 CG ASP A 3 7.503 0.685 1.292 1.00 0.00 C ATOM 45 OD1 ASP A 3 7.625 1.634 2.029 1.00 0.00 O ATOM 46 OD2 ASP A 3 7.809 -0.441 1.606 1.00 0.00 O ATOM 47 H ASP A 3 4.668 1.445 0.936 1.00 0.00 H ATOM 48 HA ASP A 3 6.906 3.038 0.175 1.00 0.00 H ATOM 49 1HB ASP A 3 6.223 0.124 -0.325 1.00 0.00 H ATOM 50 2HB ASP A 3 7.747 0.843 -0.826 1.00 0.00 H ATOM 51 N GLU A 4 4.966 2.009 -2.284 1.00 0.00 N ATOM 52 CA GLU A 4 4.600 2.273 -3.671 1.00 0.00 C ATOM 53 C GLU A 4 4.038 3.679 -3.834 1.00 0.00 C ATOM 54 O GLU A 4 4.242 4.324 -4.862 1.00 0.00 O ATOM 55 CB GLU A 4 3.577 1.244 -4.157 1.00 0.00 C ATOM 56 CG GLU A 4 4.115 -0.176 -4.263 1.00 0.00 C ATOM 57 CD GLU A 4 5.250 -0.300 -5.241 1.00 0.00 C ATOM 58 OE1 GLU A 4 5.114 0.176 -6.343 1.00 0.00 O ATOM 59 OE2 GLU A 4 6.253 -0.872 -4.886 1.00 0.00 O ATOM 60 H GLU A 4 4.403 1.371 -1.740 1.00 0.00 H ATOM 61 HA GLU A 4 5.494 2.180 -4.288 1.00 0.00 H ATOM 62 1HB GLU A 4 2.725 1.229 -3.478 1.00 0.00 H ATOM 63 2HB GLU A 4 3.207 1.536 -5.140 1.00 0.00 H ATOM 64 1HG GLU A 4 4.460 -0.497 -3.281 1.00 0.00 H ATOM 65 2HG GLU A 4 3.305 -0.838 -4.567 1.00 0.00 H ATOM 66 N ALA A 5 3.328 4.149 -2.814 1.00 0.00 N ATOM 67 CA ALA A 5 2.851 5.527 -2.783 1.00 0.00 C ATOM 68 C ALA A 5 4.012 6.512 -2.800 1.00 0.00 C ATOM 69 O ALA A 5 3.960 7.535 -3.483 1.00 0.00 O ATOM 70 CB ALA A 5 1.980 5.758 -1.557 1.00 0.00 C ATOM 71 H ALA A 5 3.113 3.536 -2.040 1.00 0.00 H ATOM 72 HA ALA A 5 2.233 5.699 -3.664 1.00 0.00 H ATOM 73 1HB ALA A 5 1.631 6.791 -1.547 1.00 0.00 H ATOM 74 2HB ALA A 5 1.122 5.086 -1.588 1.00 0.00 H ATOM 75 3HB ALA A 5 2.560 5.563 -0.656 1.00 0.00 H ATOM 76 N LYS A 6 5.060 6.198 -2.046 1.00 0.00 N ATOM 77 CA LYS A 6 6.278 7.000 -2.053 1.00 0.00 C ATOM 78 C LYS A 6 6.885 7.065 -3.449 1.00 0.00 C ATOM 79 O LYS A 6 7.336 8.122 -3.891 1.00 0.00 O ATOM 80 CB LYS A 6 7.296 6.436 -1.062 1.00 0.00 C ATOM 81 CG LYS A 6 8.603 7.214 -0.992 1.00 0.00 C ATOM 82 CD LYS A 6 9.552 6.610 0.033 1.00 0.00 C ATOM 83 CE LYS A 6 10.913 7.289 -0.004 1.00 0.00 C ATOM 84 NZ LYS A 6 11.869 6.672 0.955 1.00 0.00 N ATOM 85 H LYS A 6 5.011 5.383 -1.452 1.00 0.00 H ATOM 86 HA LYS A 6 6.028 8.012 -1.733 1.00 0.00 H ATOM 87 1HB LYS A 6 6.862 6.421 -0.062 1.00 0.00 H ATOM 88 2HB LYS A 6 7.534 5.406 -1.330 1.00 0.00 H ATOM 89 1HG LYS A 6 9.085 7.205 -1.970 1.00 0.00 H ATOM 90 2HG LYS A 6 8.397 8.248 -0.718 1.00 0.00 H ATOM 91 1HD LYS A 6 9.127 6.721 1.032 1.00 0.00 H ATOM 92 2HD LYS A 6 9.681 5.548 -0.172 1.00 0.00 H ATOM 93 1HE LYS A 6 11.328 7.218 -1.008 1.00 0.00 H ATOM 94 2HE LYS A 6 10.800 8.345 0.245 1.00 0.00 H ATOM 95 1HZ LYS A 6 12.758 7.150 0.900 1.00 0.00 H ATOM 96 2HZ LYS A 6 11.503 6.749 1.894 1.00 0.00 H ATOM 97 3HZ LYS A 6 11.997 5.697 0.723 1.00 0.00 H ATOM 98 N LYS A 7 6.895 5.929 -4.138 1.00 0.00 N ATOM 99 CA LYS A 7 7.361 5.875 -5.518 1.00 0.00 C ATOM 100 C LYS A 7 6.543 6.798 -6.412 1.00 0.00 C ATOM 101 O LYS A 7 7.086 7.464 -7.294 1.00 0.00 O ATOM 102 CB LYS A 7 7.301 4.441 -6.048 1.00 0.00 C ATOM 103 CG LYS A 7 8.319 3.496 -5.422 1.00 0.00 C ATOM 104 CD LYS A 7 8.154 2.079 -5.949 1.00 0.00 C ATOM 105 CE LYS A 7 9.114 1.117 -5.264 1.00 0.00 C ATOM 106 NZ LYS A 7 8.904 -0.288 -5.705 1.00 0.00 N ATOM 107 H LYS A 7 6.572 5.081 -3.694 1.00 0.00 H ATOM 108 HA LYS A 7 8.403 6.195 -5.545 1.00 0.00 H ATOM 109 1HB LYS A 7 6.308 4.028 -5.869 1.00 0.00 H ATOM 110 2HB LYS A 7 7.466 4.444 -7.125 1.00 0.00 H ATOM 111 1HG LYS A 7 9.327 3.845 -5.650 1.00 0.00 H ATOM 112 2HG LYS A 7 8.192 3.490 -4.340 1.00 0.00 H ATOM 113 1HD LYS A 7 7.131 1.743 -5.776 1.00 0.00 H ATOM 114 2HD LYS A 7 8.346 2.065 -7.022 1.00 0.00 H ATOM 115 1HE LYS A 7 10.140 1.406 -5.487 1.00 0.00 H ATOM 116 2HE LYS A 7 8.972 1.170 -4.184 1.00 0.00 H ATOM 117 1HZ LYS A 7 9.558 -0.893 -5.228 1.00 0.00 H ATOM 118 2HZ LYS A 7 7.960 -0.574 -5.485 1.00 0.00 H ATOM 119 3HZ LYS A 7 9.051 -0.354 -6.702 1.00 0.00 H ATOM 120 N LYS A 8 5.236 6.833 -6.180 1.00 0.00 N ATOM 121 CA LYS A 8 4.349 7.722 -6.921 1.00 0.00 C ATOM 122 C LYS A 8 4.675 9.183 -6.641 1.00 0.00 C ATOM 123 O LYS A 8 4.670 10.015 -7.548 1.00 0.00 O ATOM 124 CB LYS A 8 2.888 7.432 -6.574 1.00 0.00 C ATOM 125 CG LYS A 8 2.368 6.102 -7.101 1.00 0.00 C ATOM 126 CD LYS A 8 0.923 5.869 -6.685 1.00 0.00 C ATOM 127 CE LYS A 8 0.407 4.532 -7.196 1.00 0.00 C ATOM 128 NZ LYS A 8 -1.000 4.283 -6.781 1.00 0.00 N ATOM 129 H LYS A 8 4.846 6.228 -5.471 1.00 0.00 H ATOM 130 HA LYS A 8 4.481 7.532 -7.987 1.00 0.00 H ATOM 131 1HB LYS A 8 2.764 7.434 -5.491 1.00 0.00 H ATOM 132 2HB LYS A 8 2.255 8.223 -6.977 1.00 0.00 H ATOM 133 1HG LYS A 8 2.429 6.093 -8.190 1.00 0.00 H ATOM 134 2HG LYS A 8 2.984 5.291 -6.714 1.00 0.00 H ATOM 135 1HD LYS A 8 0.851 5.885 -5.596 1.00 0.00 H ATOM 136 2HD LYS A 8 0.296 6.666 -7.084 1.00 0.00 H ATOM 137 1HE LYS A 8 0.461 4.513 -8.283 1.00 0.00 H ATOM 138 2HE LYS A 8 1.033 3.728 -6.809 1.00 0.00 H ATOM 139 1HZ LYS A 8 -1.304 3.389 -7.139 1.00 0.00 H ATOM 140 2HZ LYS A 8 -1.059 4.280 -5.773 1.00 0.00 H ATOM 141 3HZ LYS A 8 -1.594 5.012 -7.151 1.00 0.00 H ATOM 142 N VAL A 9 4.957 9.490 -5.379 1.00 0.00 N ATOM 143 CA VAL A 9 5.385 10.829 -4.994 1.00 0.00 C ATOM 144 C VAL A 9 6.669 11.225 -5.712 1.00 0.00 C ATOM 145 O VAL A 9 6.758 12.307 -6.292 1.00 0.00 O ATOM 146 CB VAL A 9 5.608 10.902 -3.472 1.00 0.00 C ATOM 147 CG1 VAL A 9 6.278 12.214 -3.093 1.00 0.00 C ATOM 148 CG2 VAL A 9 4.281 10.744 -2.746 1.00 0.00 C ATOM 149 H VAL A 9 4.873 8.777 -4.669 1.00 0.00 H ATOM 150 HA VAL A 9 4.600 11.535 -5.267 1.00 0.00 H ATOM 151 HB VAL A 9 6.284 10.099 -3.174 1.00 0.00 H ATOM 152 1HG1 VAL A 9 6.428 12.248 -2.014 1.00 0.00 H ATOM 153 2HG1 VAL A 9 7.242 12.289 -3.596 1.00 0.00 H ATOM 154 3HG1 VAL A 9 5.643 13.047 -3.397 1.00 0.00 H ATOM 155 1HG2 VAL A 9 4.446 10.795 -1.670 1.00 0.00 H ATOM 156 2HG2 VAL A 9 3.604 11.543 -3.048 1.00 0.00 H ATOM 157 3HG2 VAL A 9 3.840 9.780 -2.999 1.00 0.00 H ATOM 158 N LYS A 10 7.661 10.343 -5.668 1.00 0.00 N ATOM 159 CA LYS A 10 8.952 10.610 -6.292 1.00 0.00 C ATOM 160 C LYS A 10 8.811 10.780 -7.799 1.00 0.00 C ATOM 161 O LYS A 10 9.429 11.664 -8.394 1.00 0.00 O ATOM 162 CB LYS A 10 9.941 9.486 -5.979 1.00 0.00 C ATOM 163 CG LYS A 10 10.440 9.469 -4.540 1.00 0.00 C ATOM 164 CD LYS A 10 11.224 8.200 -4.242 1.00 0.00 C ATOM 165 CE LYS A 10 12.497 8.127 -5.073 1.00 0.00 C ATOM 166 NZ LYS A 10 13.362 6.986 -4.666 1.00 0.00 N ATOM 167 H LYS A 10 7.518 9.464 -5.192 1.00 0.00 H ATOM 168 HA LYS A 10 9.354 11.533 -5.872 1.00 0.00 H ATOM 169 1HB LYS A 10 9.473 8.523 -6.183 1.00 0.00 H ATOM 170 2HB LYS A 10 10.809 9.573 -6.633 1.00 0.00 H ATOM 171 1HG LYS A 10 11.083 10.332 -4.368 1.00 0.00 H ATOM 172 2HG LYS A 10 9.590 9.529 -3.860 1.00 0.00 H ATOM 173 1HD LYS A 10 11.488 8.175 -3.184 1.00 0.00 H ATOM 174 2HD LYS A 10 10.606 7.330 -4.465 1.00 0.00 H ATOM 175 1HE LYS A 10 12.239 8.014 -6.125 1.00 0.00 H ATOM 176 2HE LYS A 10 13.060 9.052 -4.957 1.00 0.00 H ATOM 177 1HZ LYS A 10 14.194 6.973 -5.239 1.00 0.00 H ATOM 178 2HZ LYS A 10 13.623 7.090 -3.696 1.00 0.00 H ATOM 179 3HZ LYS A 10 12.856 6.120 -4.788 1.00 0.00 H ATOM 180 N GLU A 11 7.995 9.929 -8.412 1.00 0.00 N ATOM 181 CA GLU A 11 7.745 10.006 -9.846 1.00 0.00 C ATOM 182 C GLU A 11 7.161 11.359 -10.231 1.00 0.00 C ATOM 183 O GLU A 11 7.644 12.014 -11.155 1.00 0.00 O ATOM 184 CB GLU A 11 6.796 8.887 -10.282 1.00 0.00 C ATOM 185 CG GLU A 11 6.450 8.899 -11.764 1.00 0.00 C ATOM 186 CD GLU A 11 5.492 7.806 -12.150 1.00 0.00 C ATOM 187 OE1 GLU A 11 5.322 6.892 -11.379 1.00 0.00 O ATOM 188 OE2 GLU A 11 4.929 7.886 -13.216 1.00 0.00 O ATOM 189 H GLU A 11 7.537 9.210 -7.870 1.00 0.00 H ATOM 190 HA GLU A 11 8.691 9.871 -10.370 1.00 0.00 H ATOM 191 1HB GLU A 11 7.243 7.920 -10.050 1.00 0.00 H ATOM 192 2HB GLU A 11 5.865 8.960 -9.720 1.00 0.00 H ATOM 193 1HG GLU A 11 6.005 9.861 -12.015 1.00 0.00 H ATOM 194 2HG GLU A 11 7.367 8.792 -12.342 1.00 0.00 H ATOM 195 N ALA A 12 6.119 11.773 -9.518 1.00 0.00 N ATOM 196 CA ALA A 12 5.463 13.046 -9.789 1.00 0.00 C ATOM 197 C ALA A 12 6.432 14.211 -9.629 1.00 0.00 C ATOM 198 O ALA A 12 6.400 15.168 -10.402 1.00 0.00 O ATOM 199 CB ALA A 12 4.261 13.229 -8.873 1.00 0.00 C ATOM 200 H ALA A 12 5.773 11.191 -8.769 1.00 0.00 H ATOM 201 HA ALA A 12 5.096 13.035 -10.816 1.00 0.00 H ATOM 202 1HB ALA A 12 3.782 14.184 -9.088 1.00 0.00 H ATOM 203 2HB ALA A 12 3.550 12.420 -9.041 1.00 0.00 H ATOM 204 3HB ALA A 12 4.590 13.213 -7.835 1.00 0.00 H ATOM 205 N ILE A 13 7.293 14.123 -8.621 1.00 0.00 N ATOM 206 CA ILE A 13 8.330 15.126 -8.409 1.00 0.00 C ATOM 207 C ILE A 13 9.296 15.178 -9.586 1.00 0.00 C ATOM 208 O ILE A 13 9.675 16.256 -10.043 1.00 0.00 O ATOM 209 CB ILE A 13 9.112 14.842 -7.114 1.00 0.00 C ATOM 210 CG1 ILE A 13 8.219 15.067 -5.891 1.00 0.00 C ATOM 211 CG2 ILE A 13 10.353 15.719 -7.039 1.00 0.00 C ATOM 212 CD1 ILE A 13 8.803 14.534 -4.602 1.00 0.00 C ATOM 213 H ILE A 13 7.229 13.340 -7.986 1.00 0.00 H ATOM 214 HA ILE A 13 7.851 16.101 -8.306 1.00 0.00 H ATOM 215 HB ILE A 13 9.416 13.796 -7.094 1.00 0.00 H ATOM 216 1HG1 ILE A 13 8.034 16.134 -5.766 1.00 0.00 H ATOM 217 2HG1 ILE A 13 7.254 14.586 -6.051 1.00 0.00 H ATOM 218 1HG2 ILE A 13 10.894 15.506 -6.117 1.00 0.00 H ATOM 219 2HG2 ILE A 13 10.996 15.511 -7.893 1.00 0.00 H ATOM 220 3HG2 ILE A 13 10.059 16.768 -7.053 1.00 0.00 H ATOM 221 1HD1 ILE A 13 8.113 14.731 -3.781 1.00 0.00 H ATOM 222 2HD1 ILE A 13 8.963 13.459 -4.692 1.00 0.00 H ATOM 223 3HD1 ILE A 13 9.753 15.028 -4.402 1.00 0.00 H ATOM 224 N LYS A 14 9.690 14.006 -10.072 1.00 0.00 N ATOM 225 CA LYS A 14 10.546 13.914 -11.249 1.00 0.00 C ATOM 226 C LYS A 14 9.866 14.514 -12.473 1.00 0.00 C ATOM 227 O LYS A 14 10.506 15.180 -13.287 1.00 0.00 O ATOM 228 CB LYS A 14 10.929 12.458 -11.521 1.00 0.00 C ATOM 229 CG LYS A 14 11.898 11.863 -10.508 1.00 0.00 C ATOM 230 CD LYS A 14 12.210 10.410 -10.831 1.00 0.00 C ATOM 231 CE LYS A 14 13.181 9.814 -9.821 1.00 0.00 C ATOM 232 NZ LYS A 14 13.486 8.388 -10.117 1.00 0.00 N ATOM 233 H LYS A 14 9.390 13.157 -9.615 1.00 0.00 H ATOM 234 HA LYS A 14 11.465 14.468 -11.053 1.00 0.00 H ATOM 235 1HB LYS A 14 10.030 11.841 -11.527 1.00 0.00 H ATOM 236 2HB LYS A 14 11.386 12.381 -12.508 1.00 0.00 H ATOM 237 1HG LYS A 14 12.826 12.435 -10.513 1.00 0.00 H ATOM 238 2HG LYS A 14 11.462 11.920 -9.511 1.00 0.00 H ATOM 239 1HD LYS A 14 11.287 9.828 -10.821 1.00 0.00 H ATOM 240 2HD LYS A 14 12.650 10.344 -11.826 1.00 0.00 H ATOM 241 1HE LYS A 14 14.111 10.382 -9.833 1.00 0.00 H ATOM 242 2HE LYS A 14 12.753 9.881 -8.821 1.00 0.00 H ATOM 243 1HZ LYS A 14 14.132 8.031 -9.427 1.00 0.00 H ATOM 244 2HZ LYS A 14 12.633 7.848 -10.091 1.00 0.00 H ATOM 245 3HZ LYS A 14 13.902 8.315 -11.035 1.00 0.00 H ATOM 246 N ARG A 15 8.565 14.274 -12.598 1.00 0.00 N ATOM 247 CA ARG A 15 7.787 14.825 -13.701 1.00 0.00 C ATOM 248 C ARG A 15 7.628 16.333 -13.565 1.00 0.00 C ATOM 249 O ARG A 15 7.564 17.053 -14.562 1.00 0.00 O ATOM 250 CB ARG A 15 6.412 14.176 -13.762 1.00 0.00 C ATOM 251 CG ARG A 15 6.410 12.720 -14.198 1.00 0.00 C ATOM 252 CD ARG A 15 5.035 12.161 -14.243 1.00 0.00 C ATOM 253 NE ARG A 15 5.035 10.743 -14.563 1.00 0.00 N ATOM 254 CZ ARG A 15 5.104 10.240 -15.811 1.00 0.00 C ATOM 255 NH1 ARG A 15 5.178 11.051 -16.843 1.00 0.00 N ATOM 256 NH2 ARG A 15 5.098 8.932 -15.997 1.00 0.00 N ATOM 257 H ARG A 15 8.103 13.696 -11.911 1.00 0.00 H ATOM 258 HA ARG A 15 8.312 14.614 -14.634 1.00 0.00 H ATOM 259 1HB ARG A 15 5.942 14.227 -12.781 1.00 0.00 H ATOM 260 2HB ARG A 15 5.779 14.729 -14.457 1.00 0.00 H ATOM 261 1HG ARG A 15 6.846 12.637 -15.194 1.00 0.00 H ATOM 262 2HG ARG A 15 6.998 12.129 -13.495 1.00 0.00 H ATOM 263 1HD ARG A 15 4.558 12.291 -13.272 1.00 0.00 H ATOM 264 2HD ARG A 15 4.455 12.682 -15.004 1.00 0.00 H ATOM 265 HE ARG A 15 4.980 10.088 -13.794 1.00 0.00 H ATOM 266 1HH1 ARG A 15 5.182 12.051 -16.700 1.00 0.00 H ATOM 267 2HH1 ARG A 15 5.230 10.674 -17.778 1.00 0.00 H ATOM 268 1HH2 ARG A 15 5.042 8.308 -15.204 1.00 0.00 H ATOM 269 2HH2 ARG A 15 5.150 8.555 -16.932 1.00 0.00 H ATOM 270 N GLY A 16 7.566 16.807 -12.325 1.00 0.00 N ATOM 271 CA GLY A 16 7.445 18.235 -12.055 1.00 0.00 C ATOM 272 C GLY A 16 6.159 18.546 -11.301 1.00 0.00 C ATOM 273 O GLY A 16 5.952 19.670 -10.843 1.00 0.00 O ATOM 274 H GLY A 16 7.603 16.161 -11.549 1.00 0.00 H ATOM 275 1HA GLY A 16 8.303 18.569 -11.472 1.00 0.00 H ATOM 276 2HA GLY A 16 7.461 18.785 -12.995 1.00 0.00 H ATOM 277 N ASP A 17 5.296 17.543 -11.174 1.00 0.00 N ATOM 278 CA ASP A 17 3.999 17.725 -10.532 1.00 0.00 C ATOM 279 C ASP A 17 4.112 17.600 -9.018 1.00 0.00 C ATOM 280 O ASP A 17 3.742 16.577 -8.441 1.00 0.00 O ATOM 281 CB ASP A 17 2.991 16.702 -11.061 1.00 0.00 C ATOM 282 CG ASP A 17 1.587 16.916 -10.511 1.00 0.00 C ATOM 283 OD1 ASP A 17 1.425 17.759 -9.661 1.00 0.00 O ATOM 284 OD2 ASP A 17 0.690 16.234 -10.946 1.00 0.00 O ATOM 285 H ASP A 17 5.544 16.632 -11.532 1.00 0.00 H ATOM 286 HA ASP A 17 3.635 18.726 -10.765 1.00 0.00 H ATOM 287 1HB ASP A 17 2.951 16.759 -12.149 1.00 0.00 H ATOM 288 2HB ASP A 17 3.319 15.697 -10.797 1.00 0.00 H ATOM 289 N GLU A 18 4.625 18.646 -8.380 1.00 0.00 N ATOM 290 CA GLU A 18 4.807 18.646 -6.933 1.00 0.00 C ATOM 291 C GLU A 18 3.467 18.658 -6.209 1.00 0.00 C ATOM 292 O GLU A 18 3.347 18.146 -5.096 1.00 0.00 O ATOM 293 CB GLU A 18 5.641 19.854 -6.501 1.00 0.00 C ATOM 294 CG GLU A 18 7.094 19.810 -6.954 1.00 0.00 C ATOM 295 CD GLU A 18 7.885 21.003 -6.498 1.00 0.00 C ATOM 296 OE1 GLU A 18 7.298 21.914 -5.966 1.00 0.00 O ATOM 297 OE2 GLU A 18 9.080 21.004 -6.682 1.00 0.00 O ATOM 298 H GLU A 18 4.897 19.461 -8.910 1.00 0.00 H ATOM 299 HA GLU A 18 5.348 17.742 -6.652 1.00 0.00 H ATOM 300 1HB GLU A 18 5.195 20.766 -6.898 1.00 0.00 H ATOM 301 2HB GLU A 18 5.632 19.932 -5.413 1.00 0.00 H ATOM 302 1HG GLU A 18 7.559 18.907 -6.559 1.00 0.00 H ATOM 303 2HG GLU A 18 7.122 19.754 -8.041 1.00 0.00 H ATOM 304 N GLU A 19 2.460 19.245 -6.848 1.00 0.00 N ATOM 305 CA GLU A 19 1.131 19.344 -6.257 1.00 0.00 C ATOM 306 C GLU A 19 0.565 17.967 -5.938 1.00 0.00 C ATOM 307 O GLU A 19 0.221 17.676 -4.793 1.00 0.00 O ATOM 308 CB GLU A 19 0.183 20.091 -7.197 1.00 0.00 C ATOM 309 CG GLU A 19 -1.231 20.260 -6.661 1.00 0.00 C ATOM 310 CD GLU A 19 -2.125 21.025 -7.597 1.00 0.00 C ATOM 311 OE1 GLU A 19 -1.640 21.499 -8.596 1.00 0.00 O ATOM 312 OE2 GLU A 19 -3.294 21.135 -7.313 1.00 0.00 O ATOM 313 H GLU A 19 2.620 19.632 -7.767 1.00 0.00 H ATOM 314 HA GLU A 19 1.207 19.914 -5.330 1.00 0.00 H ATOM 315 1HB GLU A 19 0.583 21.084 -7.405 1.00 0.00 H ATOM 316 2HB GLU A 19 0.119 19.559 -8.147 1.00 0.00 H ATOM 317 1HG GLU A 19 -1.663 19.275 -6.488 1.00 0.00 H ATOM 318 2HG GLU A 19 -1.186 20.780 -5.704 1.00 0.00 H ATOM 319 N THR A 20 0.471 17.121 -6.959 1.00 0.00 N ATOM 320 CA THR A 20 -0.030 15.763 -6.785 1.00 0.00 C ATOM 321 C THR A 20 0.862 14.963 -5.845 1.00 0.00 C ATOM 322 O THR A 20 0.375 14.195 -5.015 1.00 0.00 O ATOM 323 CB THR A 20 -0.140 15.035 -8.138 1.00 0.00 C ATOM 324 OG1 THR A 20 -1.085 15.716 -8.974 1.00 0.00 O ATOM 325 CG2 THR A 20 -0.592 13.597 -7.935 1.00 0.00 C ATOM 326 H THR A 20 0.754 17.427 -7.879 1.00 0.00 H ATOM 327 HA THR A 20 -1.031 15.816 -6.356 1.00 0.00 H ATOM 328 HB THR A 20 0.831 15.039 -8.633 1.00 0.00 H ATOM 329 HG1 THR A 20 -0.653 15.990 -9.786 1.00 0.00 H ATOM 330 1HG2 THR A 20 -0.664 13.099 -8.901 1.00 0.00 H ATOM 331 2HG2 THR A 20 0.130 13.074 -7.309 1.00 0.00 H ATOM 332 3HG2 THR A 20 -1.567 13.588 -7.449 1.00 0.00 H ATOM 333 N ALA A 21 2.171 15.147 -5.980 1.00 0.00 N ATOM 334 CA ALA A 21 3.132 14.482 -5.108 1.00 0.00 C ATOM 335 C ALA A 21 2.837 14.768 -3.642 1.00 0.00 C ATOM 336 O ALA A 21 2.850 13.863 -2.808 1.00 0.00 O ATOM 337 CB ALA A 21 4.550 14.913 -5.456 1.00 0.00 C ATOM 338 H ALA A 21 2.509 15.764 -6.704 1.00 0.00 H ATOM 339 HA ALA A 21 3.064 13.406 -5.275 1.00 0.00 H ATOM 340 1HB ALA A 21 5.256 14.408 -4.797 1.00 0.00 H ATOM 341 2HB ALA A 21 4.767 14.649 -6.491 1.00 0.00 H ATOM 342 3HB ALA A 21 4.643 15.991 -5.329 1.00 0.00 H ATOM 343 N LYS A 22 2.569 16.033 -3.333 1.00 0.00 N ATOM 344 CA LYS A 22 2.246 16.437 -1.970 1.00 0.00 C ATOM 345 C LYS A 22 0.918 15.843 -1.519 1.00 0.00 C ATOM 346 O LYS A 22 0.780 15.399 -0.379 1.00 0.00 O ATOM 347 CB LYS A 22 2.205 17.962 -1.859 1.00 0.00 C ATOM 348 CG LYS A 22 3.569 18.635 -1.933 1.00 0.00 C ATOM 349 CD LYS A 22 3.443 20.149 -1.859 1.00 0.00 C ATOM 350 CE LYS A 22 4.803 20.824 -1.952 1.00 0.00 C ATOM 351 NZ LYS A 22 4.694 22.307 -1.896 1.00 0.00 N ATOM 352 H LYS A 22 2.590 16.732 -4.062 1.00 0.00 H ATOM 353 HA LYS A 22 3.033 16.077 -1.307 1.00 0.00 H ATOM 354 1HB LYS A 22 1.587 18.368 -2.660 1.00 0.00 H ATOM 355 2HB LYS A 22 1.743 18.245 -0.913 1.00 0.00 H ATOM 356 1HG LYS A 22 4.191 18.290 -1.106 1.00 0.00 H ATOM 357 2HG LYS A 22 4.057 18.365 -2.869 1.00 0.00 H ATOM 358 1HD LYS A 22 2.814 20.502 -2.678 1.00 0.00 H ATOM 359 2HD LYS A 22 2.972 20.430 -0.917 1.00 0.00 H ATOM 360 1HE LYS A 22 5.433 20.487 -1.130 1.00 0.00 H ATOM 361 2HE LYS A 22 5.285 20.544 -2.888 1.00 0.00 H ATOM 362 1HZ LYS A 22 5.615 22.716 -1.961 1.00 0.00 H ATOM 363 2HZ LYS A 22 4.126 22.633 -2.666 1.00 0.00 H ATOM 364 3HZ LYS A 22 4.265 22.581 -1.023 1.00 0.00 H ATOM 365 N ARG A 23 -0.058 15.837 -2.421 1.00 0.00 N ATOM 366 CA ARG A 23 -1.375 15.288 -2.121 1.00 0.00 C ATOM 367 C ARG A 23 -1.282 13.821 -1.718 1.00 0.00 C ATOM 368 O ARG A 23 -1.936 13.385 -0.771 1.00 0.00 O ATOM 369 CB ARG A 23 -2.298 15.423 -3.323 1.00 0.00 C ATOM 370 CG ARG A 23 -2.743 16.843 -3.631 1.00 0.00 C ATOM 371 CD ARG A 23 -3.656 16.891 -4.802 1.00 0.00 C ATOM 372 NE ARG A 23 -3.930 18.256 -5.221 1.00 0.00 N ATOM 373 CZ ARG A 23 -4.853 19.059 -4.656 1.00 0.00 C ATOM 374 NH1 ARG A 23 -5.580 18.620 -3.652 1.00 0.00 N ATOM 375 NH2 ARG A 23 -5.027 20.288 -5.110 1.00 0.00 N ATOM 376 H ARG A 23 0.117 16.222 -3.338 1.00 0.00 H ATOM 377 HA ARG A 23 -1.804 15.851 -1.292 1.00 0.00 H ATOM 378 1HB ARG A 23 -1.799 15.034 -4.210 1.00 0.00 H ATOM 379 2HB ARG A 23 -3.194 14.823 -3.163 1.00 0.00 H ATOM 380 1HG ARG A 23 -3.269 17.255 -2.769 1.00 0.00 H ATOM 381 2HG ARG A 23 -1.870 17.459 -3.852 1.00 0.00 H ATOM 382 1HD ARG A 23 -3.202 16.362 -5.639 1.00 0.00 H ATOM 383 2HD ARG A 23 -4.603 16.417 -4.544 1.00 0.00 H ATOM 384 HE ARG A 23 -3.390 18.629 -5.990 1.00 0.00 H ATOM 385 1HH1 ARG A 23 -5.448 17.681 -3.305 1.00 0.00 H ATOM 386 2HH1 ARG A 23 -6.272 19.222 -3.229 1.00 0.00 H ATOM 387 1HH2 ARG A 23 -4.468 20.625 -5.881 1.00 0.00 H ATOM 388 2HH2 ARG A 23 -5.718 20.889 -4.687 1.00 0.00 H ATOM 389 N ILE A 24 -0.465 13.065 -2.443 1.00 0.00 N ATOM 390 CA ILE A 24 -0.240 11.659 -2.127 1.00 0.00 C ATOM 391 C ILE A 24 0.446 11.502 -0.776 1.00 0.00 C ATOM 392 O ILE A 24 0.056 10.663 0.035 1.00 0.00 O ATOM 393 CB ILE A 24 0.609 10.980 -3.217 1.00 0.00 C ATOM 394 CG1 ILE A 24 -0.166 10.919 -4.536 1.00 0.00 C ATOM 395 CG2 ILE A 24 1.025 9.586 -2.775 1.00 0.00 C ATOM 396 CD1 ILE A 24 0.685 10.538 -5.727 1.00 0.00 C ATOM 397 H ILE A 24 0.012 13.473 -3.234 1.00 0.00 H ATOM 398 HA ILE A 24 -1.206 11.154 -2.090 1.00 0.00 H ATOM 399 HB ILE A 24 1.503 11.574 -3.404 1.00 0.00 H ATOM 400 1HG1 ILE A 24 -0.975 10.195 -4.449 1.00 0.00 H ATOM 401 2HG1 ILE A 24 -0.618 11.890 -4.738 1.00 0.00 H ATOM 402 1HG2 ILE A 24 1.624 9.120 -3.557 1.00 0.00 H ATOM 403 2HG2 ILE A 24 1.613 9.655 -1.861 1.00 0.00 H ATOM 404 3HG2 ILE A 24 0.137 8.982 -2.590 1.00 0.00 H ATOM 405 1HD1 ILE A 24 0.066 10.515 -6.624 1.00 0.00 H ATOM 406 2HD1 ILE A 24 1.482 11.270 -5.854 1.00 0.00 H ATOM 407 3HD1 ILE A 24 1.119 9.553 -5.562 1.00 0.00 H ATOM 408 N ALA A 25 1.471 12.314 -0.541 1.00 0.00 N ATOM 409 CA ALA A 25 2.195 12.287 0.724 1.00 0.00 C ATOM 410 C ALA A 25 1.271 12.596 1.895 1.00 0.00 C ATOM 411 O ALA A 25 1.388 11.998 2.965 1.00 0.00 O ATOM 412 CB ALA A 25 3.355 13.271 0.692 1.00 0.00 C ATOM 413 H ALA A 25 1.755 12.968 -1.256 1.00 0.00 H ATOM 414 HA ALA A 25 2.613 11.289 0.862 1.00 0.00 H ATOM 415 1HB ALA A 25 3.886 13.239 1.643 1.00 0.00 H ATOM 416 2HB ALA A 25 4.038 13.002 -0.114 1.00 0.00 H ATOM 417 3HB ALA A 25 2.974 14.277 0.524 1.00 0.00 H ATOM 418 N LYS A 26 0.353 13.533 1.686 1.00 0.00 N ATOM 419 CA LYS A 26 -0.633 13.880 2.703 1.00 0.00 C ATOM 420 C LYS A 26 -1.578 12.717 2.974 1.00 0.00 C ATOM 421 O LYS A 26 -1.954 12.464 4.118 1.00 0.00 O ATOM 422 CB LYS A 26 -1.428 15.116 2.278 1.00 0.00 C ATOM 423 CG LYS A 26 -0.640 16.418 2.323 1.00 0.00 C ATOM 424 CD LYS A 26 -1.480 17.590 1.837 1.00 0.00 C ATOM 425 CE LYS A 26 -0.688 18.889 1.866 1.00 0.00 C ATOM 426 NZ LYS A 26 -1.496 20.044 1.389 1.00 0.00 N ATOM 427 H LYS A 26 0.337 14.018 0.800 1.00 0.00 H ATOM 428 HA LYS A 26 -0.106 14.126 3.626 1.00 0.00 H ATOM 429 1HB LYS A 26 -1.793 14.981 1.259 1.00 0.00 H ATOM 430 2HB LYS A 26 -2.298 15.229 2.925 1.00 0.00 H ATOM 431 1HG LYS A 26 -0.317 16.613 3.347 1.00 0.00 H ATOM 432 2HG LYS A 26 0.245 16.330 1.693 1.00 0.00 H ATOM 433 1HD LYS A 26 -1.813 17.400 0.816 1.00 0.00 H ATOM 434 2HD LYS A 26 -2.358 17.696 2.473 1.00 0.00 H ATOM 435 1HE LYS A 26 -0.356 19.089 2.884 1.00 0.00 H ATOM 436 2HE LYS A 26 0.193 18.792 1.233 1.00 0.00 H ATOM 437 1HZ LYS A 26 -0.937 20.884 1.424 1.00 0.00 H ATOM 438 2HZ LYS A 26 -1.794 19.877 0.438 1.00 0.00 H ATOM 439 3HZ LYS A 26 -2.307 20.155 1.981 1.00 0.00 H ATOM 440 N LYS A 27 -1.958 12.010 1.915 1.00 0.00 N ATOM 441 CA LYS A 27 -2.861 10.872 2.037 1.00 0.00 C ATOM 442 C LYS A 27 -2.224 9.748 2.845 1.00 0.00 C ATOM 443 O LYS A 27 -2.862 9.161 3.718 1.00 0.00 O ATOM 444 CB LYS A 27 -3.267 10.361 0.654 1.00 0.00 C ATOM 445 CG LYS A 27 -4.240 9.189 0.678 1.00 0.00 C ATOM 446 CD LYS A 27 -4.693 8.818 -0.727 1.00 0.00 C ATOM 447 CE LYS A 27 -5.631 7.620 -0.708 1.00 0.00 C ATOM 448 NZ LYS A 27 -6.092 7.253 -2.075 1.00 0.00 N ATOM 449 H LYS A 27 -1.612 12.269 1.001 1.00 0.00 H ATOM 450 HA LYS A 27 -3.766 11.202 2.548 1.00 0.00 H ATOM 451 1HB LYS A 27 -3.731 11.169 0.089 1.00 0.00 H ATOM 452 2HB LYS A 27 -2.378 10.047 0.106 1.00 0.00 H ATOM 453 1HG LYS A 27 -3.757 8.324 1.135 1.00 0.00 H ATOM 454 2HG LYS A 27 -5.112 9.452 1.274 1.00 0.00 H ATOM 455 1HD LYS A 27 -5.209 9.666 -1.179 1.00 0.00 H ATOM 456 2HD LYS A 27 -3.823 8.577 -1.338 1.00 0.00 H ATOM 457 1HE LYS A 27 -5.120 6.765 -0.269 1.00 0.00 H ATOM 458 2HE LYS A 27 -6.502 7.849 -0.095 1.00 0.00 H ATOM 459 1HZ LYS A 27 -6.711 6.457 -2.020 1.00 0.00 H ATOM 460 2HZ LYS A 27 -6.584 8.034 -2.486 1.00 0.00 H ATOM 461 3HZ LYS A 27 -5.294 7.020 -2.648 1.00 0.00 H ATOM 462 N TYR A 28 -0.963 9.454 2.548 1.00 0.00 N ATOM 463 CA TYR A 28 -0.288 8.300 3.130 1.00 0.00 C ATOM 464 C TYR A 28 0.707 8.726 4.202 1.00 0.00 C ATOM 465 O TYR A 28 1.524 7.926 4.657 1.00 0.00 O ATOM 466 CB TYR A 28 0.419 7.489 2.042 1.00 0.00 C ATOM 467 CG TYR A 28 -0.525 6.831 1.060 1.00 0.00 C ATOM 468 CD1 TYR A 28 -0.763 7.420 -0.173 1.00 0.00 C ATOM 469 CD2 TYR A 28 -1.152 5.640 1.393 1.00 0.00 C ATOM 470 CE1 TYR A 28 -1.625 6.819 -1.070 1.00 0.00 C ATOM 471 CE2 TYR A 28 -2.014 5.039 0.496 1.00 0.00 C ATOM 472 CZ TYR A 28 -2.251 5.625 -0.731 1.00 0.00 C ATOM 473 OH TYR A 28 -3.110 5.027 -1.625 1.00 0.00 O ATOM 474 H TYR A 28 -0.459 10.045 1.902 1.00 0.00 H ATOM 475 HA TYR A 28 -1.036 7.666 3.607 1.00 0.00 H ATOM 476 1HB TYR A 28 1.093 8.139 1.483 1.00 0.00 H ATOM 477 2HB TYR A 28 1.024 6.710 2.505 1.00 0.00 H ATOM 478 HD1 TYR A 28 -0.270 8.356 -0.435 1.00 0.00 H ATOM 479 HD2 TYR A 28 -0.966 5.178 2.362 1.00 0.00 H ATOM 480 HE1 TYR A 28 -1.813 7.282 -2.039 1.00 0.00 H ATOM 481 HE2 TYR A 28 -2.508 4.103 0.757 1.00 0.00 H ATOM 482 HH TYR A 28 -3.353 4.157 -1.300 1.00 0.00 H ATOM 483 N ASN A 29 0.632 9.991 4.601 1.00 0.00 N ATOM 484 CA ASN A 29 1.485 10.511 5.664 1.00 0.00 C ATOM 485 C ASN A 29 2.955 10.241 5.371 1.00 0.00 C ATOM 486 O ASN A 29 3.691 9.760 6.233 1.00 0.00 O ATOM 487 CB ASN A 29 1.089 9.917 7.004 1.00 0.00 C ATOM 488 CG ASN A 29 -0.291 10.330 7.434 1.00 0.00 C ATOM 489 OD1 ASN A 29 -0.672 11.499 7.303 1.00 0.00 O ATOM 490 ND2 ASN A 29 -1.048 9.393 7.945 1.00 0.00 N ATOM 491 H ASN A 29 -0.032 10.609 4.158 1.00 0.00 H ATOM 492 HA ASN A 29 1.358 11.593 5.712 1.00 0.00 H ATOM 493 1HB ASN A 29 1.129 8.829 6.946 1.00 0.00 H ATOM 494 2HB ASN A 29 1.804 10.231 7.765 1.00 0.00 H ATOM 495 1HD2 ASN A 29 -1.976 9.610 8.249 1.00 0.00 H ATOM 496 2HD2 ASN A 29 -0.699 8.461 8.033 1.00 0.00 H ATOM 497 N LEU A 30 3.377 10.554 4.151 1.00 0.00 N ATOM 498 CA LEU A 30 4.753 10.314 3.731 1.00 0.00 C ATOM 499 C LEU A 30 5.607 11.565 3.900 1.00 0.00 C ATOM 500 O LEU A 30 5.088 12.680 3.952 1.00 0.00 O ATOM 501 CB LEU A 30 4.788 9.857 2.268 1.00 0.00 C ATOM 502 CG LEU A 30 3.949 8.616 1.938 1.00 0.00 C ATOM 503 CD1 LEU A 30 3.951 8.386 0.432 1.00 0.00 C ATOM 504 CD2 LEU A 30 4.513 7.411 2.676 1.00 0.00 C ATOM 505 H LEU A 30 2.729 10.969 3.497 1.00 0.00 H ATOM 506 HA LEU A 30 5.172 9.526 4.355 1.00 0.00 H ATOM 507 1HB LEU A 30 4.433 10.673 1.640 1.00 0.00 H ATOM 508 2HB LEU A 30 5.821 9.641 1.996 1.00 0.00 H ATOM 509 HG LEU A 30 2.917 8.782 2.248 1.00 0.00 H ATOM 510 1HD1 LEU A 30 3.355 7.505 0.198 1.00 0.00 H ATOM 511 2HD1 LEU A 30 3.525 9.256 -0.069 1.00 0.00 H ATOM 512 3HD1 LEU A 30 4.974 8.234 0.089 1.00 0.00 H ATOM 513 1HD2 LEU A 30 3.916 6.529 2.442 1.00 0.00 H ATOM 514 2HD2 LEU A 30 5.544 7.244 2.365 1.00 0.00 H ATOM 515 3HD2 LEU A 30 4.483 7.595 3.750 1.00 0.00 H ATOM 516 N ASP A 31 6.918 11.372 3.985 1.00 0.00 N ATOM 517 CA ASP A 31 7.852 12.488 4.072 1.00 0.00 C ATOM 518 C ASP A 31 8.192 13.031 2.690 1.00 0.00 C ATOM 519 O ASP A 31 9.100 12.533 2.023 1.00 0.00 O ATOM 520 CB ASP A 31 9.135 12.060 4.788 1.00 0.00 C ATOM 521 CG ASP A 31 10.114 13.209 4.988 1.00 0.00 C ATOM 522 OD1 ASP A 31 10.023 14.174 4.267 1.00 0.00 O ATOM 523 OD2 ASP A 31 10.944 13.111 5.861 1.00 0.00 O ATOM 524 H ASP A 31 7.278 10.428 3.990 1.00 0.00 H ATOM 525 HA ASP A 31 7.384 13.288 4.648 1.00 0.00 H ATOM 526 1HB ASP A 31 8.885 11.641 5.764 1.00 0.00 H ATOM 527 2HB ASP A 31 9.630 11.277 4.213 1.00 0.00 H ATOM 528 N TRP A 32 7.459 14.053 2.264 1.00 0.00 N ATOM 529 CA TRP A 32 7.601 14.590 0.916 1.00 0.00 C ATOM 530 C TRP A 32 9.006 15.133 0.685 1.00 0.00 C ATOM 531 O TRP A 32 9.586 14.946 -0.385 1.00 0.00 O ATOM 532 CB TRP A 32 6.575 15.698 0.672 1.00 0.00 C ATOM 533 CG TRP A 32 6.607 16.246 -0.723 1.00 0.00 C ATOM 534 CD1 TRP A 32 5.997 15.717 -1.821 1.00 0.00 C ATOM 535 CD2 TRP A 32 7.287 17.441 -1.179 1.00 0.00 C ATOM 536 NE1 TRP A 32 6.251 16.495 -2.924 1.00 0.00 N ATOM 537 CE2 TRP A 32 7.037 17.555 -2.549 1.00 0.00 C ATOM 538 CE3 TRP A 32 8.076 18.408 -0.543 1.00 0.00 C ATOM 539 CZ2 TRP A 32 7.549 18.598 -3.304 1.00 0.00 C ATOM 540 CZ3 TRP A 32 8.587 19.455 -1.300 1.00 0.00 C ATOM 541 CH2 TRP A 32 8.330 19.548 -2.644 1.00 0.00 C ATOM 542 H TRP A 32 6.785 14.470 2.891 1.00 0.00 H ATOM 543 HA TRP A 32 7.415 13.786 0.202 1.00 0.00 H ATOM 544 1HB TRP A 32 5.573 15.316 0.867 1.00 0.00 H ATOM 545 2HB TRP A 32 6.754 16.518 1.366 1.00 0.00 H ATOM 546 HD1 TRP A 32 5.397 14.809 -1.823 1.00 0.00 H ATOM 547 HE1 TRP A 32 5.914 16.316 -3.859 1.00 0.00 H ATOM 548 HE3 TRP A 32 8.281 18.341 0.525 1.00 0.00 H ATOM 549 HZ2 TRP A 32 7.356 18.689 -4.373 1.00 0.00 H ATOM 550 HZ3 TRP A 32 9.201 20.204 -0.797 1.00 0.00 H ATOM 551 HH2 TRP A 32 8.747 20.383 -3.208 1.00 0.00 H ATOM 552 N ASP A 33 9.548 15.806 1.694 1.00 0.00 N ATOM 553 CA ASP A 33 10.883 16.384 1.600 1.00 0.00 C ATOM 554 C ASP A 33 11.926 15.315 1.301 1.00 0.00 C ATOM 555 O ASP A 33 12.809 15.512 0.466 1.00 0.00 O ATOM 556 CB ASP A 33 11.246 17.110 2.898 1.00 0.00 C ATOM 557 CG ASP A 33 10.497 18.424 3.071 1.00 0.00 C ATOM 558 OD1 ASP A 33 9.980 18.923 2.099 1.00 0.00 O ATOM 559 OD2 ASP A 33 10.450 18.917 4.172 1.00 0.00 O ATOM 560 H ASP A 33 9.021 15.921 2.548 1.00 0.00 H ATOM 561 HA ASP A 33 10.888 17.114 0.790 1.00 0.00 H ATOM 562 1HB ASP A 33 11.023 16.467 3.749 1.00 0.00 H ATOM 563 2HB ASP A 33 12.317 17.314 2.913 1.00 0.00 H ATOM 564 N ASP A 34 11.818 14.182 1.986 1.00 0.00 N ATOM 565 CA ASP A 34 12.740 13.071 1.781 1.00 0.00 C ATOM 566 C ASP A 34 12.555 12.449 0.402 1.00 0.00 C ATOM 567 O ASP A 34 13.526 12.090 -0.262 1.00 0.00 O ATOM 568 CB ASP A 34 12.542 12.003 2.859 1.00 0.00 C ATOM 569 CG ASP A 34 13.569 10.881 2.778 1.00 0.00 C ATOM 570 OD1 ASP A 34 14.741 11.171 2.826 1.00 0.00 O ATOM 571 OD2 ASP A 34 13.171 9.746 2.668 1.00 0.00 O ATOM 572 H ASP A 34 11.078 14.087 2.667 1.00 0.00 H ATOM 573 HA ASP A 34 13.760 13.449 1.860 1.00 0.00 H ATOM 574 1HB ASP A 34 12.608 12.465 3.845 1.00 0.00 H ATOM 575 2HB ASP A 34 11.545 11.571 2.766 1.00 0.00 H ATOM 576 N ALA A 35 11.302 12.325 -0.022 1.00 0.00 N ATOM 577 CA ALA A 35 10.990 11.815 -1.351 1.00 0.00 C ATOM 578 C ALA A 35 11.621 12.679 -2.435 1.00 0.00 C ATOM 579 O ALA A 35 12.194 12.166 -3.397 1.00 0.00 O ATOM 580 CB ALA A 35 9.483 11.735 -1.549 1.00 0.00 C ATOM 581 H ALA A 35 10.546 12.591 0.593 1.00 0.00 H ATOM 582 HA ALA A 35 11.388 10.803 -1.435 1.00 0.00 H ATOM 583 1HB ALA A 35 9.266 11.353 -2.546 1.00 0.00 H ATOM 584 2HB ALA A 35 9.053 11.068 -0.802 1.00 0.00 H ATOM 585 3HB ALA A 35 9.050 12.728 -1.439 1.00 0.00 H ATOM 586 N LYS A 36 11.513 13.993 -2.274 1.00 0.00 N ATOM 587 CA LYS A 36 12.140 14.932 -3.197 1.00 0.00 C ATOM 588 C LYS A 36 13.656 14.787 -3.186 1.00 0.00 C ATOM 589 O LYS A 36 14.295 14.765 -4.238 1.00 0.00 O ATOM 590 CB LYS A 36 11.747 16.369 -2.849 1.00 0.00 C ATOM 591 CG LYS A 36 12.333 17.424 -3.777 1.00 0.00 C ATOM 592 CD LYS A 36 11.868 18.820 -3.391 1.00 0.00 C ATOM 593 CE LYS A 36 12.380 19.866 -4.370 1.00 0.00 C ATOM 594 NZ LYS A 36 13.863 19.989 -4.328 1.00 0.00 N ATOM 595 H LYS A 36 10.983 14.351 -1.493 1.00 0.00 H ATOM 596 HA LYS A 36 11.776 14.723 -4.204 1.00 0.00 H ATOM 597 1HB LYS A 36 10.661 16.466 -2.875 1.00 0.00 H ATOM 598 2HB LYS A 36 12.071 16.599 -1.834 1.00 0.00 H ATOM 599 1HG LYS A 36 13.422 17.387 -3.729 1.00 0.00 H ATOM 600 2HG LYS A 36 12.025 17.219 -4.802 1.00 0.00 H ATOM 601 1HD LYS A 36 10.778 18.850 -3.377 1.00 0.00 H ATOM 602 2HD LYS A 36 12.233 19.062 -2.392 1.00 0.00 H ATOM 603 1HE LYS A 36 12.079 19.597 -5.381 1.00 0.00 H ATOM 604 2HE LYS A 36 11.942 20.835 -4.130 1.00 0.00 H ATOM 605 1HZ LYS A 36 14.162 20.691 -4.990 1.00 0.00 H ATOM 606 2HZ LYS A 36 14.153 20.257 -3.398 1.00 0.00 H ATOM 607 3HZ LYS A 36 14.281 19.101 -4.568 1.00 0.00 H ATOM 608 N ARG A 37 14.227 14.687 -1.990 1.00 0.00 N ATOM 609 CA ARG A 37 15.664 14.494 -1.842 1.00 0.00 C ATOM 610 C ARG A 37 16.152 13.320 -2.681 1.00 0.00 C ATOM 611 O ARG A 37 17.109 13.446 -3.446 1.00 0.00 O ATOM 612 CB ARG A 37 16.024 14.254 -0.383 1.00 0.00 C ATOM 613 CG ARG A 37 17.505 14.036 -0.117 1.00 0.00 C ATOM 614 CD ARG A 37 17.756 13.623 1.288 1.00 0.00 C ATOM 615 NE ARG A 37 17.114 12.356 1.604 1.00 0.00 N ATOM 616 CZ ARG A 37 17.596 11.147 1.255 1.00 0.00 C ATOM 617 NH1 ARG A 37 18.721 11.057 0.581 1.00 0.00 N ATOM 618 NH2 ARG A 37 16.937 10.052 1.590 1.00 0.00 N ATOM 619 H ARG A 37 13.650 14.747 -1.163 1.00 0.00 H ATOM 620 HA ARG A 37 16.172 15.399 -2.178 1.00 0.00 H ATOM 621 1HB ARG A 37 15.704 15.106 0.215 1.00 0.00 H ATOM 622 2HB ARG A 37 15.490 13.378 -0.016 1.00 0.00 H ATOM 623 1HG ARG A 37 17.882 13.253 -0.776 1.00 0.00 H ATOM 624 2HG ARG A 37 18.049 14.962 -0.304 1.00 0.00 H ATOM 625 1HD ARG A 37 18.828 13.511 1.448 1.00 0.00 H ATOM 626 2HD ARG A 37 17.364 14.381 1.965 1.00 0.00 H ATOM 627 HE ARG A 37 16.246 12.385 2.121 1.00 0.00 H ATOM 628 1HH1 ARG A 37 19.225 11.894 0.325 1.00 0.00 H ATOM 629 2HH1 ARG A 37 19.081 10.151 0.320 1.00 0.00 H ATOM 630 1HH2 ARG A 37 16.071 10.121 2.108 1.00 0.00 H ATOM 631 2HH2 ARG A 37 17.297 9.146 1.329 1.00 0.00 H ATOM 632 N GLU A 38 15.489 12.178 -2.534 1.00 0.00 N ATOM 633 CA GLU A 38 15.859 10.977 -3.273 1.00 0.00 C ATOM 634 C GLU A 38 15.713 11.187 -4.775 1.00 0.00 C ATOM 635 O GLU A 38 16.580 10.790 -5.553 1.00 0.00 O ATOM 636 CB GLU A 38 15.000 9.791 -2.828 1.00 0.00 C ATOM 637 CG GLU A 38 15.289 9.300 -1.417 1.00 0.00 C ATOM 638 CD GLU A 38 14.406 8.155 -1.004 1.00 0.00 C ATOM 639 OE1 GLU A 38 13.809 7.550 -1.862 1.00 0.00 O ATOM 640 OE2 GLU A 38 14.329 7.885 0.172 1.00 0.00 O ATOM 641 H GLU A 38 14.708 12.141 -1.894 1.00 0.00 H ATOM 642 HA GLU A 38 16.901 10.742 -3.052 1.00 0.00 H ATOM 643 1HB GLU A 38 13.946 10.067 -2.877 1.00 0.00 H ATOM 644 2HB GLU A 38 15.151 8.955 -3.511 1.00 0.00 H ATOM 645 1HG GLU A 38 16.329 8.980 -1.361 1.00 0.00 H ATOM 646 2HG GLU A 38 15.154 10.126 -0.721 1.00 0.00 H ATOM 647 N ALA A 39 14.612 11.813 -5.175 1.00 0.00 N ATOM 648 CA ALA A 39 14.362 12.098 -6.583 1.00 0.00 C ATOM 649 C ALA A 39 15.442 13.003 -7.162 1.00 0.00 C ATOM 650 O ALA A 39 15.894 12.805 -8.290 1.00 0.00 O ATOM 651 CB ALA A 39 12.990 12.733 -6.760 1.00 0.00 C ATOM 652 H ALA A 39 13.931 12.099 -4.487 1.00 0.00 H ATOM 653 HA ALA A 39 14.364 11.156 -7.133 1.00 0.00 H ATOM 654 1HB ALA A 39 12.819 12.940 -7.816 1.00 0.00 H ATOM 655 2HB ALA A 39 12.224 12.049 -6.395 1.00 0.00 H ATOM 656 3HB ALA A 39 12.945 13.663 -6.196 1.00 0.00 H ATOM 657 N ASP A 40 15.854 13.998 -6.383 1.00 0.00 N ATOM 658 CA ASP A 40 16.876 14.941 -6.820 1.00 0.00 C ATOM 659 C ASP A 40 18.233 14.261 -6.948 1.00 0.00 C ATOM 660 O ASP A 40 19.003 14.557 -7.862 1.00 0.00 O ATOM 661 CB ASP A 40 16.978 16.114 -5.842 1.00 0.00 C ATOM 662 CG ASP A 40 15.772 17.043 -5.904 1.00 0.00 C ATOM 663 OD1 ASP A 40 15.036 16.966 -6.859 1.00 0.00 O ATOM 664 OD2 ASP A 40 15.599 17.820 -4.996 1.00 0.00 O ATOM 665 H ASP A 40 15.447 14.104 -5.464 1.00 0.00 H ATOM 666 HA ASP A 40 16.589 15.336 -7.795 1.00 0.00 H ATOM 667 1HB ASP A 40 17.073 15.733 -4.825 1.00 0.00 H ATOM 668 2HB ASP A 40 17.876 16.693 -6.060 1.00 0.00 H ATOM 669 N GLU A 41 18.521 13.347 -6.027 1.00 0.00 N ATOM 670 CA GLU A 41 19.782 12.615 -6.043 1.00 0.00 C ATOM 671 C GLU A 41 19.841 11.644 -7.214 1.00 0.00 C ATOM 672 O GLU A 41 20.890 11.465 -7.832 1.00 0.00 O ATOM 673 CB GLU A 41 19.974 11.856 -4.728 1.00 0.00 C ATOM 674 CG GLU A 41 20.242 12.745 -3.522 1.00 0.00 C ATOM 675 CD GLU A 41 20.286 11.980 -2.229 1.00 0.00 C ATOM 676 OE1 GLU A 41 20.193 10.776 -2.269 1.00 0.00 O ATOM 677 OE2 GLU A 41 20.414 12.599 -1.199 1.00 0.00 O ATOM 678 H GLU A 41 17.849 13.155 -5.298 1.00 0.00 H ATOM 679 HA GLU A 41 20.598 13.333 -6.142 1.00 0.00 H ATOM 680 1HB GLU A 41 19.083 11.265 -4.516 1.00 0.00 H ATOM 681 2HB GLU A 41 20.810 11.164 -4.826 1.00 0.00 H ATOM 682 1HG GLU A 41 21.196 13.253 -3.663 1.00 0.00 H ATOM 683 2HG GLU A 41 19.463 13.504 -3.463 1.00 0.00 H ATOM 684 N GLU A 42 18.708 11.018 -7.515 1.00 0.00 N ATOM 685 CA GLU A 42 18.637 10.036 -8.591 1.00 0.00 C ATOM 686 C GLU A 42 18.734 10.706 -9.955 1.00 0.00 C ATOM 687 O GLU A 42 19.343 10.169 -10.880 1.00 0.00 O ATOM 688 CB GLU A 42 17.337 9.235 -8.496 1.00 0.00 C ATOM 689 CG GLU A 42 17.280 8.265 -7.324 1.00 0.00 C ATOM 690 CD GLU A 42 15.939 7.600 -7.180 1.00 0.00 C ATOM 691 OE1 GLU A 42 15.102 7.805 -8.025 1.00 0.00 O ATOM 692 OE2 GLU A 42 15.753 6.887 -6.223 1.00 0.00 O ATOM 693 H GLU A 42 17.875 11.228 -6.985 1.00 0.00 H ATOM 694 HA GLU A 42 19.472 9.343 -8.482 1.00 0.00 H ATOM 695 1HB GLU A 42 16.493 9.919 -8.406 1.00 0.00 H ATOM 696 2HB GLU A 42 17.196 8.661 -9.412 1.00 0.00 H ATOM 697 1HG GLU A 42 18.040 7.497 -7.465 1.00 0.00 H ATOM 698 2HG GLU A 42 17.513 8.805 -6.408 1.00 0.00 H ATOM 699 N ARG A 43 18.129 11.884 -10.075 1.00 0.00 N ATOM 700 CA ARG A 43 18.201 12.660 -11.307 1.00 0.00 C ATOM 701 C ARG A 43 19.553 13.347 -11.447 1.00 0.00 C ATOM 702 O ARG A 43 20.192 13.691 -10.453 1.00 0.00 O ATOM 703 OXT ARG A 43 20.008 13.558 -12.537 1.00 0.00 O ATOM 704 CB ARG A 43 17.098 13.707 -11.345 1.00 0.00 C ATOM 705 CG ARG A 43 15.692 13.149 -11.500 1.00 0.00 C ATOM 706 CD ARG A 43 14.685 14.231 -11.650 1.00 0.00 C ATOM 707 NE ARG A 43 14.581 15.046 -10.451 1.00 0.00 N ATOM 708 CZ ARG A 43 13.804 16.140 -10.334 1.00 0.00 C ATOM 709 NH1 ARG A 43 13.070 16.537 -11.350 1.00 0.00 N ATOM 710 NH2 ARG A 43 13.779 16.814 -9.198 1.00 0.00 N ATOM 711 H ARG A 43 17.607 12.250 -9.292 1.00 0.00 H ATOM 712 HA ARG A 43 18.072 11.982 -12.151 1.00 0.00 H ATOM 713 1HB ARG A 43 17.120 14.292 -10.427 1.00 0.00 H ATOM 714 2HB ARG A 43 17.274 14.392 -12.174 1.00 0.00 H ATOM 715 1HG ARG A 43 15.648 12.514 -12.385 1.00 0.00 H ATOM 716 2HG ARG A 43 15.434 12.561 -10.619 1.00 0.00 H ATOM 717 1HD ARG A 43 14.969 14.879 -12.479 1.00 0.00 H ATOM 718 2HD ARG A 43 13.708 13.793 -11.851 1.00 0.00 H ATOM 719 HE ARG A 43 15.131 14.772 -9.647 1.00 0.00 H ATOM 720 1HH1 ARG A 43 13.090 16.021 -12.219 1.00 0.00 H ATOM 721 2HH1 ARG A 43 12.488 17.357 -11.263 1.00 0.00 H ATOM 722 1HH2 ARG A 43 14.342 16.509 -8.416 1.00 0.00 H ATOM 723 2HH2 ARG A 43 13.196 17.634 -9.110 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE nods_bigger.blueprint.34_try72_pass_20150322173957_0001_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 rama omega fa_dun p_aa_pp ref total weights 0.8 0.44 0.75 0.004 0.7 1 1.17 1.17 1.17 1.1 1 0.2 0.5 0.56 0.32 1 NA pose -176.606 15.6245 107.782 0.31028 -27.659 0.04308 -24.7709 -1.48772 -1.03727 -8.10722 0 -6.11194 1.89349 45.6767 -5.30134 -15.2942 -95.0448 PRO:NtermProteinFull_1 -1.71946 0.19055 0.88142 0.0077 0.0403 0.04308 0 0 0 0 0 0 0.00489 0.28223 0 -0.21929 -0.48857 LYS_2 -2.94408 0.19404 1.47548 0.00312 -0.05078 0 0 0 0 0 0 -0.27702 0.09573 0.71127 -0.03835 -0.28737 -1.11796 ASP_3 -2.45556 0.29106 1.54187 0.00335 -0.01403 0 0 0 0 0 0 -0.11575 0.04611 1.29005 0.05215 -1.28682 -0.64757 GLU_4 -4.0569 0.3511 2.64118 0.00494 -0.97188 0 0 0 0 -0.30619 0 -0.23706 0.20541 2.30322 -0.17214 -1.55374 -1.79205 ALA_5 -4.32637 0.51395 1.74728 0.00074 -0.19635 0 0 0 0 0 0 -0.17084 0.11916 0 -0.18514 0.59294 -1.90463 LYS_6 -4.72529 0.44089 3.05401 0.00582 -1.498 0 0 0 0 -0.46636 0 -0.18077 0.09448 0.99615 -0.04868 -0.28737 -2.61512 LYS_7 -4.21719 0.35516 2.90202 0.00315 -1.13398 0 0 0 0 -0.30619 0 -0.19506 0.04448 0.85007 -0.05068 -0.28737 -2.03558 LYS_8 -3.75927 0.32865 1.93865 0.0031 -0.17942 0 0 0 0 0 0 -0.20616 0.11355 0.79585 -0.04478 -0.28737 -1.2972 VAL_9 -5.61436 0.72387 1.98944 0.01606 -0.29756 0 0 0 0 0 0 0.07206 0.00761 0.01353 -0.04152 0.74484 -2.38603 LYS_10 -5.97905 0.37286 3.86681 0.00634 -1.87891 0 0 0 0 -0.85961 0 -0.19731 0.01314 1.78421 -0.04744 -0.28737 -3.20634 GLU_11 -4.21215 0.36785 2.90155 0.00758 -1.03812 0 0 0 0 -0.4866 0 -0.10112 0.00056 2.23241 -0.10993 -1.55374 -1.9917 ALA_12 -4.39419 0.32299 2.17517 0.00075 -0.43096 0 0 0 0 0 0 -0.1937 0.08301 0 -0.19915 0.59294 -2.04315 ILE_13 -5.58509 0.53975 2.21086 0.0208 -0.10246 0 0 0 0 0 0 -0.03911 0.07635 0.0946 -0.06493 0.8318 -2.01744 LYS_14 -4.3557 0.40022 2.87024 0.00309 -0.93146 0 0 0 0 -0.11277 0 -0.21578 0.01892 0.7848 -0.04821 -0.28737 -1.87403 ARG_15 -2.98143 0.18155 1.97433 0.00959 -0.84298 0 0 0 0 -0.4866 0 -0.2352 0.01013 1.51726 -0.10568 -0.14916 -1.10819 GLY_16 -1.58215 0.222 1.04594 2e-05 -0.18053 0 0 0 0 0 0 -0.01321 0.04687 0 -0.82482 0.14053 -1.14537 ASP_17 -3.83182 0.38169 3.20239 0.01569 -1.18679 0 0 0 -0.31909 -0.38571 0 -0.0838 0.00489 1.50093 -0.42745 -1.28682 -2.41592 GLU_18 -3.41349 0.33606 2.20012 0.0045 -0.30919 0 0 0 0 0 0 -0.28741 0.00509 2.10782 -0.14139 -1.55374 -1.05164 GLU_19 -3.43821 0.46579 2.5833 0.00708 -0.82227 0 0 0 0 -0.33025 0 0.01767 0.00706 2.04105 -0.10721 -1.55374 -1.12973 THR_20 -3.79756 0.41061 2.67343 0.01013 -1.05199 0 0 0 -0.31909 -0.38571 0 -0.05029 0.02953 0.08537 0.11615 0.16454 -2.1149 ALA_21 -4.82737 0.56253 2.11884 0.00073 -0.22358 0 0 0 0 0 0 -0.08113 0.00638 0 -0.14856 0.59294 -1.99922 LYS_22 -5.23883 0.44019 2.77027 0.00307 -0.401 0 0 0 0 0 0 -0.20649 0.00111 0.80451 -0.04003 -0.28737 -2.15458 ARG_23 -4.21727 0.30198 2.67447 0.00957 -0.87416 0 0 0 0 -0.33025 0 -0.15013 0.03673 1.72127 -0.09505 -0.14916 -1.07202 ILE_24 -5.03409 0.49243 1.90346 0.01964 -0.30317 0 0 0 0 0 0 -0.03465 0.00951 0.0926 -0.10531 0.8318 -2.12778 ALA_25 -4.38132 0.31524 2.02255 0.00075 -0.28702 0 0 0 0 0 0 -0.19483 0.04168 0 -0.20028 0.59294 -2.09028 LYS_26 -2.85486 0.2883 1.65099 0.00308 0.0262 0 0 0 0 0 0 -0.2255 1e-05 0.78605 -0.03979 -0.28737 -0.6529 LYS_27 -3.19385 0.20906 1.6134 0.00524 -0.14838 0 0 0 0 0 0 -0.16412 0.27816 0.94912 -0.04158 -0.28737 -0.78032 TYR_28 -5.32778 0.5695 1.90459 0.02361 -0.30865 0 0 0 0 0 0 -0.20756 0.04047 1.3418 -0.15034 0.1317 -1.98266 ASN_29 -1.99111 0.31753 1.52307 0.00476 0.09227 0 0 0 0 0 0 -0.28156 0.0126 1.34997 -0.56977 -0.94198 -0.48422 LEU_30 -4.04405 0.37146 1.19906 0.00637 -0.10396 0 0 0 0 0 0 -0.13187 0.06253 0.13447 -0.15049 0.60233 -2.05415 ASP_31 -2.95798 0.2289 2.3446 0.0192 -0.60495 0 0 0 -0.19954 0 0 -0.13822 0.15111 1.46263 -0.41896 -1.28682 -1.40004 TRP_32 -7.15823 0.54975 3.47932 0.02405 -0.28413 0 0 0 0 0 0 -0.17957 0.00063 1.35167 -0.0047 0.92933 -1.29188 ASP_33 -3.12164 0.25766 2.21448 0.00342 -0.33165 0 0 0 0 0 0 -0.07677 0.00427 1.30551 0.04755 -1.28682 -0.984 ASP_34 -4.73587 0.4197 4.07557 0.00332 -1.30437 0 0 0 -0.19954 -0.46973 0 -0.14126 0.05915 2.45173 0.02829 -1.28682 -1.09983 ALA_35 -4.03865 0.27573 1.82059 0.00073 -0.12622 0 0 0 0 0 0 -0.12512 0.06662 0 -0.16337 0.59294 -1.69674 LYS_36 -5.08387 0.56274 3.04812 0.00677 -1.16898 0 0 0 0 -0.39338 0 -0.16549 0.02674 1.52903 -0.04226 -0.28737 -1.96796 ARG_37 -5.65998 0.50112 4.77006 0.01597 -2.10637 0 0 0 0 -0.62529 0 0.08916 0.00057 1.27816 -0.09747 -0.14916 -1.98325 GLU_38 -5.89659 0.36716 5.21002 0.00426 -1.69811 0 0 0 0 -0.93913 0 -0.20075 0.00618 2.40884 -0.10693 -1.55374 -2.39879 ALA_39 -4.58204 0.22168 2.49855 0.00074 -0.32624 0 0 0 0 0 0 -0.17475 0.0008 0 -0.18864 0.59294 -1.95698 ASP_40 -4.30109 0.27724 3.8381 0.00332 -1.48283 0 0 0 0 -0.48084 0 -0.15951 0.00146 1.31339 0.00948 -1.28682 -2.2681 GLU_41 -3.35253 0.24329 2.68312 0.00454 -0.57209 0 0 0 0 -0.15556 0 -0.23131 0.01389 2.21005 -0.16053 -1.55374 -0.87088 GLU_42 -3.03309 0.22126 3.01244 0.0045 -1.56139 0 0 0 0 -0.49961 0 -0.22066 0.04592 2.24824 -0.17337 -1.55374 -1.50949 ARG:CtermProteinFull_43 -4.18423 0.23947 3.53132 0.00913 -0.48291 0 0 0 0 -0.08746 0 0 0 1.54687 0 -0.14916 0.42304 #END_POSE_ENERGIES_TABLE nods_bigger.blueprint.34_try72_pass_20150322173957_0001_0001.pdb AlaCount 6 bb -0.0345902 buried_minus_exposed 3505.89 buried_np 5125.94 buried_over_exposed 3.16403 cavity_volume 0 contact_all 242 contact_core_SASA 242 contact_core_SCN 242 degree 10.1163 degree_core_SASA 10.1163 degree_core_SCN 10.1163 exposed_hydrophobics 1620.06 holes 0.163361 mismatch_probability 0.122285 one_core_each 0.666667 pack 0.739546 percent_core_SASA 0.0465008 percent_core_SCN 0.116252 res_count_core_SASA 2 res_count_core_SCN 5 ss_sc 0.777399 two_core_each 0.666667 unsat_hbond 5
HHH_rd1_0773.pdb
ATOM 1 N PRO A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA PRO A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C PRO A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O PRO A 1 2.716 1.822 -0.924 1.00 0.00 O ATOM 5 CB PRO A 1 1.803 -0.740 -1.297 1.00 0.00 C ATOM 6 CG PRO A 1 0.686 -0.395 -2.222 1.00 0.00 C ATOM 7 CD PRO A 1 -0.536 -0.373 -1.343 1.00 0.00 C ATOM 8 1H PRO A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 9 2H PRO A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 10 HA PRO A 1 1.804 -0.498 0.906 1.00 0.00 H ATOM 11 1HB PRO A 1 2.783 -0.409 -1.669 1.00 0.00 H ATOM 12 2HB PRO A 1 1.880 -1.820 -1.104 1.00 0.00 H ATOM 13 1HG PRO A 1 0.878 0.575 -2.705 1.00 0.00 H ATOM 14 2HG PRO A 1 0.615 -1.142 -3.026 1.00 0.00 H ATOM 15 1HD PRO A 1 -1.242 0.385 -1.714 1.00 0.00 H ATOM 16 2HD PRO A 1 -1.002 -1.369 -1.337 1.00 0.00 H ATOM 17 N ASP A 2 1.680 2.177 1.042 1.00 0.00 N ATOM 18 CA ASP A 2 2.083 3.575 1.130 1.00 0.00 C ATOM 19 C ASP A 2 3.596 3.707 1.250 1.00 0.00 C ATOM 20 O ASP A 2 4.194 4.628 0.695 1.00 0.00 O ATOM 21 CB ASP A 2 1.410 4.253 2.326 1.00 0.00 C ATOM 22 CG ASP A 2 -0.086 4.458 2.126 1.00 0.00 C ATOM 23 OD1 ASP A 2 -0.540 4.332 1.014 1.00 0.00 O ATOM 24 OD2 ASP A 2 -0.760 4.738 3.088 1.00 0.00 O ATOM 25 H ASP A 2 1.138 1.773 1.791 1.00 0.00 H ATOM 26 HA ASP A 2 1.758 4.087 0.223 1.00 0.00 H ATOM 27 1HB ASP A 2 1.563 3.648 3.220 1.00 0.00 H ATOM 28 2HB ASP A 2 1.874 5.223 2.503 1.00 0.00 H ATOM 29 N GLU A 3 4.209 2.779 1.977 1.00 0.00 N ATOM 30 CA GLU A 3 5.655 2.787 2.167 1.00 0.00 C ATOM 31 C GLU A 3 6.383 2.490 0.862 1.00 0.00 C ATOM 32 O GLU A 3 7.425 3.080 0.574 1.00 0.00 O ATOM 33 CB GLU A 3 6.058 1.765 3.232 1.00 0.00 C ATOM 34 CG GLU A 3 5.647 2.137 4.649 1.00 0.00 C ATOM 35 CD GLU A 3 6.284 3.412 5.127 1.00 0.00 C ATOM 36 OE1 GLU A 3 7.444 3.611 4.859 1.00 0.00 O ATOM 37 OE2 GLU A 3 5.609 4.188 5.762 1.00 0.00 O ATOM 38 H GLU A 3 3.660 2.050 2.410 1.00 0.00 H ATOM 39 HA GLU A 3 5.953 3.776 2.516 1.00 0.00 H ATOM 40 1HB GLU A 3 5.611 0.798 2.997 1.00 0.00 H ATOM 41 2HB GLU A 3 7.141 1.636 3.221 1.00 0.00 H ATOM 42 1HG GLU A 3 4.564 2.251 4.684 1.00 0.00 H ATOM 43 2HG GLU A 3 5.921 1.325 5.321 1.00 0.00 H ATOM 44 N LYS A 4 5.830 1.572 0.077 1.00 0.00 N ATOM 45 CA LYS A 4 6.376 1.258 -1.238 1.00 0.00 C ATOM 46 C LYS A 4 6.396 2.489 -2.135 1.00 0.00 C ATOM 47 O LYS A 4 7.388 2.760 -2.811 1.00 0.00 O ATOM 48 CB LYS A 4 5.572 0.138 -1.899 1.00 0.00 C ATOM 49 CG LYS A 4 6.130 -0.334 -3.235 1.00 0.00 C ATOM 50 CD LYS A 4 5.298 -1.469 -3.811 1.00 0.00 C ATOM 51 CE LYS A 4 5.863 -1.951 -5.140 1.00 0.00 C ATOM 52 NZ LYS A 4 5.040 -3.040 -5.732 1.00 0.00 N ATOM 53 H LYS A 4 5.009 1.080 0.399 1.00 0.00 H ATOM 54 HA LYS A 4 7.399 0.902 -1.111 1.00 0.00 H ATOM 55 1HB LYS A 4 5.530 -0.723 -1.231 1.00 0.00 H ATOM 56 2HB LYS A 4 4.548 0.474 -2.064 1.00 0.00 H ATOM 57 1HG LYS A 4 6.134 0.497 -3.941 1.00 0.00 H ATOM 58 2HG LYS A 4 7.155 -0.677 -3.100 1.00 0.00 H ATOM 59 1HD LYS A 4 5.283 -2.303 -3.108 1.00 0.00 H ATOM 60 2HD LYS A 4 4.274 -1.129 -3.965 1.00 0.00 H ATOM 61 1HE LYS A 4 5.902 -1.119 -5.841 1.00 0.00 H ATOM 62 2HE LYS A 4 6.878 -2.320 -4.991 1.00 0.00 H ATOM 63 1HZ LYS A 4 5.447 -3.332 -6.610 1.00 0.00 H ATOM 64 2HZ LYS A 4 5.012 -3.826 -5.097 1.00 0.00 H ATOM 65 3HZ LYS A 4 4.101 -2.704 -5.893 1.00 0.00 H ATOM 66 N GLU A 5 5.294 3.231 -2.136 1.00 0.00 N ATOM 67 CA GLU A 5 5.185 4.440 -2.945 1.00 0.00 C ATOM 68 C GLU A 5 6.088 5.543 -2.409 1.00 0.00 C ATOM 69 O GLU A 5 6.645 6.330 -3.176 1.00 0.00 O ATOM 70 CB GLU A 5 3.735 4.927 -2.983 1.00 0.00 C ATOM 71 CG GLU A 5 2.777 3.996 -3.712 1.00 0.00 C ATOM 72 CD GLU A 5 3.167 3.761 -5.145 1.00 0.00 C ATOM 73 OE1 GLU A 5 3.533 4.705 -5.803 1.00 0.00 O ATOM 74 OE2 GLU A 5 3.098 2.637 -5.582 1.00 0.00 O ATOM 75 H GLU A 5 4.511 2.951 -1.563 1.00 0.00 H ATOM 76 HA GLU A 5 5.490 4.202 -3.965 1.00 0.00 H ATOM 77 1HB GLU A 5 3.367 5.055 -1.964 1.00 0.00 H ATOM 78 2HB GLU A 5 3.691 5.901 -3.471 1.00 0.00 H ATOM 79 1HG GLU A 5 2.753 3.038 -3.193 1.00 0.00 H ATOM 80 2HG GLU A 5 1.776 4.422 -3.678 1.00 0.00 H ATOM 81 N ARG A 6 6.230 5.597 -1.089 1.00 0.00 N ATOM 82 CA ARG A 6 7.098 6.579 -0.451 1.00 0.00 C ATOM 83 C ARG A 6 8.534 6.446 -0.941 1.00 0.00 C ATOM 84 O ARG A 6 9.191 7.442 -1.244 1.00 0.00 O ATOM 85 CB ARG A 6 7.064 6.421 1.062 1.00 0.00 C ATOM 86 CG ARG A 6 7.902 7.431 1.829 1.00 0.00 C ATOM 87 CD ARG A 6 7.824 7.208 3.296 1.00 0.00 C ATOM 88 NE ARG A 6 8.419 5.939 3.683 1.00 0.00 N ATOM 89 CZ ARG A 6 9.744 5.705 3.754 1.00 0.00 C ATOM 90 NH1 ARG A 6 10.597 6.662 3.461 1.00 0.00 N ATOM 91 NH2 ARG A 6 10.187 4.514 4.117 1.00 0.00 N ATOM 92 H ARG A 6 5.723 4.940 -0.513 1.00 0.00 H ATOM 93 HA ARG A 6 6.734 7.577 -0.701 1.00 0.00 H ATOM 94 1HB ARG A 6 6.037 6.508 1.414 1.00 0.00 H ATOM 95 2HB ARG A 6 7.419 5.426 1.331 1.00 0.00 H ATOM 96 1HG ARG A 6 8.945 7.347 1.524 1.00 0.00 H ATOM 97 2HG ARG A 6 7.542 8.439 1.617 1.00 0.00 H ATOM 98 1HD ARG A 6 8.356 8.005 3.814 1.00 0.00 H ATOM 99 2HD ARG A 6 6.781 7.204 3.609 1.00 0.00 H ATOM 100 HE ARG A 6 7.795 5.178 3.915 1.00 0.00 H ATOM 101 1HH1 ARG A 6 10.259 7.572 3.184 1.00 0.00 H ATOM 102 2HH1 ARG A 6 11.590 6.487 3.514 1.00 0.00 H ATOM 103 1HH2 ARG A 6 9.531 3.778 4.342 1.00 0.00 H ATOM 104 2HH2 ARG A 6 11.179 4.339 4.170 1.00 0.00 H ATOM 105 N VAL A 7 9.016 5.210 -1.016 1.00 0.00 N ATOM 106 CA VAL A 7 10.369 4.943 -1.488 1.00 0.00 C ATOM 107 C VAL A 7 10.554 5.412 -2.925 1.00 0.00 C ATOM 108 O VAL A 7 11.575 6.010 -3.266 1.00 0.00 O ATOM 109 CB VAL A 7 10.679 3.437 -1.399 1.00 0.00 C ATOM 110 CG1 VAL A 7 12.015 3.128 -2.056 1.00 0.00 C ATOM 111 CG2 VAL A 7 10.678 2.993 0.056 1.00 0.00 C ATOM 112 H VAL A 7 8.430 4.436 -0.739 1.00 0.00 H ATOM 113 HA VAL A 7 11.071 5.483 -0.851 1.00 0.00 H ATOM 114 HB VAL A 7 9.915 2.886 -1.948 1.00 0.00 H ATOM 115 1HG1 VAL A 7 12.218 2.059 -1.985 1.00 0.00 H ATOM 116 2HG1 VAL A 7 11.981 3.420 -3.106 1.00 0.00 H ATOM 117 3HG1 VAL A 7 12.806 3.681 -1.550 1.00 0.00 H ATOM 118 1HG2 VAL A 7 10.896 1.927 0.111 1.00 0.00 H ATOM 119 2HG2 VAL A 7 11.437 3.548 0.606 1.00 0.00 H ATOM 120 3HG2 VAL A 7 9.698 3.185 0.494 1.00 0.00 H ATOM 121 N ARG A 8 9.561 5.139 -3.764 1.00 0.00 N ATOM 122 CA ARG A 8 9.569 5.616 -5.142 1.00 0.00 C ATOM 123 C ARG A 8 9.669 7.134 -5.198 1.00 0.00 C ATOM 124 O ARG A 8 10.447 7.686 -5.976 1.00 0.00 O ATOM 125 CB ARG A 8 8.311 5.165 -5.871 1.00 0.00 C ATOM 126 CG ARG A 8 8.212 5.624 -7.317 1.00 0.00 C ATOM 127 CD ARG A 8 6.954 5.158 -7.956 1.00 0.00 C ATOM 128 NE ARG A 8 5.777 5.637 -7.249 1.00 0.00 N ATOM 129 CZ ARG A 8 5.317 6.902 -7.298 1.00 0.00 C ATOM 130 NH1 ARG A 8 5.944 7.802 -8.023 1.00 0.00 N ATOM 131 NH2 ARG A 8 4.235 7.239 -6.618 1.00 0.00 N ATOM 132 H ARG A 8 8.781 4.586 -3.439 1.00 0.00 H ATOM 133 HA ARG A 8 10.434 5.189 -5.651 1.00 0.00 H ATOM 134 1HB ARG A 8 8.258 4.078 -5.866 1.00 0.00 H ATOM 135 2HB ARG A 8 7.432 5.539 -5.345 1.00 0.00 H ATOM 136 1HG ARG A 8 8.232 6.714 -7.355 1.00 0.00 H ATOM 137 2HG ARG A 8 9.053 5.225 -7.885 1.00 0.00 H ATOM 138 1HD ARG A 8 6.909 5.525 -8.981 1.00 0.00 H ATOM 139 2HD ARG A 8 6.931 4.069 -7.960 1.00 0.00 H ATOM 140 HE ARG A 8 5.268 4.973 -6.681 1.00 0.00 H ATOM 141 1HH1 ARG A 8 6.771 7.544 -8.543 1.00 0.00 H ATOM 142 2HH1 ARG A 8 5.599 8.750 -8.060 1.00 0.00 H ATOM 143 1HH2 ARG A 8 3.753 6.547 -6.060 1.00 0.00 H ATOM 144 2HH2 ARG A 8 3.891 8.186 -6.655 1.00 0.00 H ATOM 145 N LYS A 9 8.876 7.806 -4.370 1.00 0.00 N ATOM 146 CA LYS A 9 8.900 9.262 -4.298 1.00 0.00 C ATOM 147 C LYS A 9 10.274 9.770 -3.879 1.00 0.00 C ATOM 148 O LYS A 9 10.765 10.766 -4.410 1.00 0.00 O ATOM 149 CB LYS A 9 7.833 9.768 -3.325 1.00 0.00 C ATOM 150 CG LYS A 9 6.402 9.603 -3.820 1.00 0.00 C ATOM 151 CD LYS A 9 5.400 10.086 -2.783 1.00 0.00 C ATOM 152 CE LYS A 9 3.969 9.907 -3.269 1.00 0.00 C ATOM 153 NZ LYS A 9 2.977 10.365 -2.259 1.00 0.00 N ATOM 154 H LYS A 9 8.241 7.294 -3.774 1.00 0.00 H ATOM 155 HA LYS A 9 8.665 9.661 -5.285 1.00 0.00 H ATOM 156 1HB LYS A 9 7.923 9.236 -2.378 1.00 0.00 H ATOM 157 2HB LYS A 9 7.998 10.826 -3.124 1.00 0.00 H ATOM 158 1HG LYS A 9 6.266 10.175 -4.739 1.00 0.00 H ATOM 159 2HG LYS A 9 6.211 8.552 -4.036 1.00 0.00 H ATOM 160 1HD LYS A 9 5.534 9.524 -1.857 1.00 0.00 H ATOM 161 2HD LYS A 9 5.572 11.142 -2.574 1.00 0.00 H ATOM 162 1HE LYS A 9 3.823 10.473 -4.187 1.00 0.00 H ATOM 163 2HE LYS A 9 3.788 8.854 -3.485 1.00 0.00 H ATOM 164 1HZ LYS A 9 2.043 10.229 -2.619 1.00 0.00 H ATOM 165 2HZ LYS A 9 3.091 9.833 -1.408 1.00 0.00 H ATOM 166 3HZ LYS A 9 3.123 11.346 -2.064 1.00 0.00 H ATOM 167 N LYS A 10 10.889 9.080 -2.925 1.00 0.00 N ATOM 168 CA LYS A 10 12.240 9.413 -2.489 1.00 0.00 C ATOM 169 C LYS A 10 13.222 9.361 -3.652 1.00 0.00 C ATOM 170 O LYS A 10 14.032 10.270 -3.834 1.00 0.00 O ATOM 171 CB LYS A 10 12.692 8.466 -1.376 1.00 0.00 C ATOM 172 CG LYS A 10 14.077 8.766 -0.819 1.00 0.00 C ATOM 173 CD LYS A 10 14.439 7.808 0.306 1.00 0.00 C ATOM 174 CE LYS A 10 15.811 8.125 0.884 1.00 0.00 C ATOM 175 NZ LYS A 10 16.183 7.189 1.980 1.00 0.00 N ATOM 176 H LYS A 10 10.408 8.306 -2.490 1.00 0.00 H ATOM 177 HA LYS A 10 12.233 10.425 -2.082 1.00 0.00 H ATOM 178 1HB LYS A 10 11.982 8.511 -0.550 1.00 0.00 H ATOM 179 2HB LYS A 10 12.696 7.442 -1.749 1.00 0.00 H ATOM 180 1HG LYS A 10 14.817 8.675 -1.615 1.00 0.00 H ATOM 181 2HG LYS A 10 14.103 9.786 -0.438 1.00 0.00 H ATOM 182 1HD LYS A 10 13.695 7.880 1.100 1.00 0.00 H ATOM 183 2HD LYS A 10 14.443 6.786 -0.073 1.00 0.00 H ATOM 184 1HE LYS A 10 16.561 8.059 0.097 1.00 0.00 H ATOM 185 2HE LYS A 10 15.815 9.142 1.275 1.00 0.00 H ATOM 186 1HZ LYS A 10 17.097 7.433 2.335 1.00 0.00 H ATOM 187 2HZ LYS A 10 15.504 7.256 2.725 1.00 0.00 H ATOM 188 3HZ LYS A 10 16.202 6.244 1.624 1.00 0.00 H ATOM 189 N LEU A 11 13.145 8.292 -4.437 1.00 0.00 N ATOM 190 CA LEU A 11 14.002 8.138 -5.607 1.00 0.00 C ATOM 191 C LEU A 11 13.806 9.286 -6.589 1.00 0.00 C ATOM 192 O LEU A 11 14.769 9.804 -7.154 1.00 0.00 O ATOM 193 CB LEU A 11 13.709 6.804 -6.306 1.00 0.00 C ATOM 194 CG LEU A 11 14.132 5.544 -5.540 1.00 0.00 C ATOM 195 CD1 LEU A 11 13.560 4.313 -6.230 1.00 0.00 C ATOM 196 CD2 LEU A 11 15.650 5.477 -5.471 1.00 0.00 C ATOM 197 H LEU A 11 12.477 7.567 -4.218 1.00 0.00 H ATOM 198 HA LEU A 11 15.041 8.133 -5.277 1.00 0.00 H ATOM 199 1HB LEU A 11 12.638 6.736 -6.490 1.00 0.00 H ATOM 200 2HB LEU A 11 14.223 6.795 -7.267 1.00 0.00 H ATOM 201 HG LEU A 11 13.724 5.579 -4.529 1.00 0.00 H ATOM 202 1HD1 LEU A 11 13.860 3.418 -5.685 1.00 0.00 H ATOM 203 2HD1 LEU A 11 12.472 4.379 -6.248 1.00 0.00 H ATOM 204 3HD1 LEU A 11 13.938 4.260 -7.251 1.00 0.00 H ATOM 205 1HD2 LEU A 11 15.950 4.582 -4.925 1.00 0.00 H ATOM 206 2HD2 LEU A 11 16.059 5.441 -6.481 1.00 0.00 H ATOM 207 3HD2 LEU A 11 16.030 6.360 -4.957 1.00 0.00 H ATOM 208 N GLU A 12 12.553 9.681 -6.787 1.00 0.00 N ATOM 209 CA GLU A 12 12.233 10.806 -7.657 1.00 0.00 C ATOM 210 C GLU A 12 12.848 12.098 -7.135 1.00 0.00 C ATOM 211 O GLU A 12 13.351 12.914 -7.907 1.00 0.00 O ATOM 212 CB GLU A 12 10.716 10.967 -7.785 1.00 0.00 C ATOM 213 CG GLU A 12 10.030 9.858 -8.568 1.00 0.00 C ATOM 214 CD GLU A 12 8.530 9.962 -8.539 1.00 0.00 C ATOM 215 OE1 GLU A 12 8.025 10.781 -7.810 1.00 0.00 O ATOM 216 OE2 GLU A 12 7.889 9.221 -9.247 1.00 0.00 O ATOM 217 H GLU A 12 11.803 9.188 -6.324 1.00 0.00 H ATOM 218 HA GLU A 12 12.637 10.602 -8.649 1.00 0.00 H ATOM 219 1HB GLU A 12 10.269 11.001 -6.791 1.00 0.00 H ATOM 220 2HB GLU A 12 10.491 11.913 -8.277 1.00 0.00 H ATOM 221 1HG GLU A 12 10.365 9.898 -9.604 1.00 0.00 H ATOM 222 2HG GLU A 12 10.331 8.896 -8.155 1.00 0.00 H ATOM 223 N LYS A 13 12.805 12.279 -5.819 1.00 0.00 N ATOM 224 CA LYS A 13 13.416 13.440 -5.185 1.00 0.00 C ATOM 225 C LYS A 13 14.930 13.425 -5.351 1.00 0.00 C ATOM 226 O LYS A 13 15.574 14.474 -5.360 1.00 0.00 O ATOM 227 CB LYS A 13 13.051 13.494 -3.701 1.00 0.00 C ATOM 228 CG LYS A 13 11.592 13.835 -3.424 1.00 0.00 C ATOM 229 CD LYS A 13 11.297 13.828 -1.932 1.00 0.00 C ATOM 230 CE LYS A 13 9.838 14.160 -1.654 1.00 0.00 C ATOM 231 NZ LYS A 13 9.531 14.143 -0.198 1.00 0.00 N ATOM 232 H LYS A 13 12.336 11.594 -5.244 1.00 0.00 H ATOM 233 HA LYS A 13 13.022 14.340 -5.657 1.00 0.00 H ATOM 234 1HB LYS A 13 13.263 12.530 -3.238 1.00 0.00 H ATOM 235 2HB LYS A 13 13.669 14.240 -3.201 1.00 0.00 H ATOM 236 1HG LYS A 13 11.367 14.824 -3.825 1.00 0.00 H ATOM 237 2HG LYS A 13 10.949 13.107 -3.917 1.00 0.00 H ATOM 238 1HD LYS A 13 11.520 12.842 -1.521 1.00 0.00 H ATOM 239 2HD LYS A 13 11.928 14.562 -1.432 1.00 0.00 H ATOM 240 1HE LYS A 13 9.609 15.149 -2.049 1.00 0.00 H ATOM 241 2HE LYS A 13 9.197 13.435 -2.156 1.00 0.00 H ATOM 242 1HZ LYS A 13 8.556 14.368 -0.056 1.00 0.00 H ATOM 243 2HZ LYS A 13 9.722 13.224 0.176 1.00 0.00 H ATOM 244 3HZ LYS A 13 10.105 14.825 0.276 1.00 0.00 H ATOM 245 N GLN A 14 15.494 12.229 -5.482 1.00 0.00 N ATOM 246 CA GLN A 14 16.931 12.077 -5.679 1.00 0.00 C ATOM 247 C GLN A 14 17.312 12.286 -7.139 1.00 0.00 C ATOM 248 O GLN A 14 18.491 12.264 -7.493 1.00 0.00 O ATOM 249 CB GLN A 14 17.393 10.694 -5.212 1.00 0.00 C ATOM 250 CG GLN A 14 17.313 10.486 -3.709 1.00 0.00 C ATOM 251 CD GLN A 14 17.620 9.057 -3.305 1.00 0.00 C ATOM 252 OE1 GLN A 14 16.793 8.157 -3.480 1.00 0.00 O ATOM 253 NE2 GLN A 14 18.812 8.839 -2.762 1.00 0.00 N ATOM 254 H GLN A 14 14.913 11.404 -5.445 1.00 0.00 H ATOM 255 HA GLN A 14 17.444 12.837 -5.089 1.00 0.00 H ATOM 256 1HB GLN A 14 16.784 9.926 -5.690 1.00 0.00 H ATOM 257 2HB GLN A 14 18.425 10.532 -5.519 1.00 0.00 H ATOM 258 1HG GLN A 14 18.036 11.141 -3.223 1.00 0.00 H ATOM 259 2HG GLN A 14 16.305 10.728 -3.372 1.00 0.00 H ATOM 260 1HE2 GLN A 14 19.071 7.916 -2.476 1.00 0.00 H ATOM 261 2HE2 GLN A 14 19.452 9.598 -2.639 1.00 0.00 H ATOM 262 N GLY A 15 16.307 12.490 -7.984 1.00 0.00 N ATOM 263 CA GLY A 15 16.539 12.823 -9.385 1.00 0.00 C ATOM 264 C GLY A 15 16.439 11.587 -10.269 1.00 0.00 C ATOM 265 O GLY A 15 17.017 11.540 -11.355 1.00 0.00 O ATOM 266 H GLY A 15 15.358 12.413 -7.648 1.00 0.00 H ATOM 267 1HA GLY A 15 15.810 13.566 -9.708 1.00 0.00 H ATOM 268 2HA GLY A 15 17.525 13.273 -9.493 1.00 0.00 H ATOM 269 N VAL A 16 15.703 10.586 -9.797 1.00 0.00 N ATOM 270 CA VAL A 16 15.477 9.371 -10.570 1.00 0.00 C ATOM 271 C VAL A 16 14.152 9.433 -11.319 1.00 0.00 C ATOM 272 O VAL A 16 13.110 9.729 -10.734 1.00 0.00 O ATOM 273 CB VAL A 16 15.482 8.140 -9.644 1.00 0.00 C ATOM 274 CG1 VAL A 16 15.226 6.871 -10.444 1.00 0.00 C ATOM 275 CG2 VAL A 16 16.809 8.054 -8.905 1.00 0.00 C ATOM 276 H VAL A 16 15.289 10.670 -8.880 1.00 0.00 H ATOM 277 HA VAL A 16 16.280 9.271 -11.300 1.00 0.00 H ATOM 278 HB VAL A 16 14.669 8.235 -8.924 1.00 0.00 H ATOM 279 1HG1 VAL A 16 15.233 6.011 -9.774 1.00 0.00 H ATOM 280 2HG1 VAL A 16 14.255 6.940 -10.935 1.00 0.00 H ATOM 281 3HG1 VAL A 16 16.006 6.751 -11.195 1.00 0.00 H ATOM 282 1HG2 VAL A 16 16.805 7.182 -8.252 1.00 0.00 H ATOM 283 2HG2 VAL A 16 17.622 7.964 -9.626 1.00 0.00 H ATOM 284 3HG2 VAL A 16 16.952 8.954 -8.308 1.00 0.00 H ATOM 285 N SER A 17 14.198 9.154 -12.617 1.00 0.00 N ATOM 286 CA SER A 17 12.995 9.137 -13.441 1.00 0.00 C ATOM 287 C SER A 17 11.933 8.222 -12.846 1.00 0.00 C ATOM 288 O SER A 17 12.237 7.127 -12.372 1.00 0.00 O ATOM 289 CB SER A 17 13.333 8.685 -14.849 1.00 0.00 C ATOM 290 OG SER A 17 12.175 8.569 -15.630 1.00 0.00 O ATOM 291 H SER A 17 15.090 8.947 -13.045 1.00 0.00 H ATOM 292 HA SER A 17 12.590 10.148 -13.482 1.00 0.00 H ATOM 293 1HB SER A 17 14.014 9.402 -15.307 1.00 0.00 H ATOM 294 2HB SER A 17 13.846 7.725 -14.809 1.00 0.00 H ATOM 295 HG SER A 17 12.467 8.264 -16.492 1.00 0.00 H ATOM 296 N SER A 18 10.685 8.677 -12.872 1.00 0.00 N ATOM 297 CA SER A 18 9.602 7.984 -12.184 1.00 0.00 C ATOM 298 C SER A 18 9.442 6.560 -12.701 1.00 0.00 C ATOM 299 O SER A 18 9.058 5.659 -11.957 1.00 0.00 O ATOM 300 CB SER A 18 8.302 8.744 -12.359 1.00 0.00 C ATOM 301 OG SER A 18 7.888 8.730 -13.697 1.00 0.00 O ATOM 302 H SER A 18 10.481 9.524 -13.382 1.00 0.00 H ATOM 303 HA SER A 18 9.837 7.945 -11.120 1.00 0.00 H ATOM 304 1HB SER A 18 7.531 8.296 -11.732 1.00 0.00 H ATOM 305 2HB SER A 18 8.435 9.773 -12.028 1.00 0.00 H ATOM 306 HG SER A 18 7.056 9.209 -13.722 1.00 0.00 H ATOM 307 N GLU A 19 9.739 6.365 -13.982 1.00 0.00 N ATOM 308 CA GLU A 19 9.716 5.035 -14.579 1.00 0.00 C ATOM 309 C GLU A 19 10.753 4.124 -13.936 1.00 0.00 C ATOM 310 O GLU A 19 10.429 3.033 -13.466 1.00 0.00 O ATOM 311 CB GLU A 19 9.965 5.123 -16.086 1.00 0.00 C ATOM 312 CG GLU A 19 9.983 3.779 -16.800 1.00 0.00 C ATOM 313 CD GLU A 19 10.204 3.906 -18.282 1.00 0.00 C ATOM 314 OE1 GLU A 19 10.190 5.009 -18.773 1.00 0.00 O ATOM 315 OE2 GLU A 19 10.388 2.898 -18.923 1.00 0.00 O ATOM 316 H GLU A 19 9.987 7.158 -14.556 1.00 0.00 H ATOM 317 HA GLU A 19 8.726 4.603 -14.424 1.00 0.00 H ATOM 318 1HB GLU A 19 9.190 5.736 -16.548 1.00 0.00 H ATOM 319 2HB GLU A 19 10.922 5.612 -16.269 1.00 0.00 H ATOM 320 1HG GLU A 19 10.778 3.165 -16.377 1.00 0.00 H ATOM 321 2HG GLU A 19 9.036 3.271 -16.621 1.00 0.00 H ATOM 322 N ASP A 20 12.002 4.577 -13.918 1.00 0.00 N ATOM 323 CA ASP A 20 13.094 3.793 -13.354 1.00 0.00 C ATOM 324 C ASP A 20 12.943 3.644 -11.845 1.00 0.00 C ATOM 325 O ASP A 20 13.293 2.610 -11.276 1.00 0.00 O ATOM 326 CB ASP A 20 14.442 4.442 -13.676 1.00 0.00 C ATOM 327 CG ASP A 20 14.830 4.306 -15.142 1.00 0.00 C ATOM 328 OD1 ASP A 20 14.237 3.501 -15.821 1.00 0.00 O ATOM 329 OD2 ASP A 20 15.716 5.007 -15.569 1.00 0.00 O ATOM 330 H ASP A 20 12.200 5.489 -14.305 1.00 0.00 H ATOM 331 HA ASP A 20 13.077 2.801 -13.807 1.00 0.00 H ATOM 332 1HB ASP A 20 14.407 5.501 -13.422 1.00 0.00 H ATOM 333 2HB ASP A 20 15.221 3.984 -13.065 1.00 0.00 H ATOM 334 N ALA A 21 12.420 4.683 -11.203 1.00 0.00 N ATOM 335 CA ALA A 21 12.173 4.649 -9.766 1.00 0.00 C ATOM 336 C ALA A 21 11.207 3.530 -9.399 1.00 0.00 C ATOM 337 O ALA A 21 11.438 2.784 -8.448 1.00 0.00 O ATOM 338 CB ALA A 21 11.634 5.990 -9.290 1.00 0.00 C ATOM 339 H ALA A 21 12.187 5.517 -11.723 1.00 0.00 H ATOM 340 HA ALA A 21 13.121 4.474 -9.256 1.00 0.00 H ATOM 341 1HB ALA A 21 11.454 5.950 -8.215 1.00 0.00 H ATOM 342 2HB ALA A 21 12.361 6.772 -9.507 1.00 0.00 H ATOM 343 3HB ALA A 21 10.700 6.211 -9.805 1.00 0.00 H ATOM 344 N LYS A 22 10.122 3.418 -10.159 1.00 0.00 N ATOM 345 CA LYS A 22 9.173 2.326 -9.984 1.00 0.00 C ATOM 346 C LYS A 22 9.848 0.974 -10.176 1.00 0.00 C ATOM 347 O LYS A 22 9.626 0.043 -9.402 1.00 0.00 O ATOM 348 CB LYS A 22 8.002 2.472 -10.957 1.00 0.00 C ATOM 349 CG LYS A 22 6.931 1.398 -10.818 1.00 0.00 C ATOM 350 CD LYS A 22 5.771 1.649 -11.770 1.00 0.00 C ATOM 351 CE LYS A 22 4.715 0.559 -11.656 1.00 0.00 C ATOM 352 NZ LYS A 22 3.574 0.791 -12.582 1.00 0.00 N ATOM 353 H LYS A 22 9.951 4.108 -10.876 1.00 0.00 H ATOM 354 HA LYS A 22 8.771 2.375 -8.971 1.00 0.00 H ATOM 355 1HB LYS A 22 7.526 3.441 -10.810 1.00 0.00 H ATOM 356 2HB LYS A 22 8.375 2.442 -11.981 1.00 0.00 H ATOM 357 1HG LYS A 22 7.364 0.421 -11.036 1.00 0.00 H ATOM 358 2HG LYS A 22 6.556 1.389 -9.795 1.00 0.00 H ATOM 359 1HD LYS A 22 5.313 2.612 -11.540 1.00 0.00 H ATOM 360 2HD LYS A 22 6.141 1.677 -12.795 1.00 0.00 H ATOM 361 1HE LYS A 22 5.164 -0.407 -11.886 1.00 0.00 H ATOM 362 2HE LYS A 22 4.336 0.524 -10.635 1.00 0.00 H ATOM 363 1HZ LYS A 22 2.897 0.048 -12.476 1.00 0.00 H ATOM 364 2HZ LYS A 22 3.138 1.676 -12.366 1.00 0.00 H ATOM 365 3HZ LYS A 22 3.910 0.805 -13.535 1.00 0.00 H ATOM 366 N LYS A 23 10.674 0.872 -11.212 1.00 0.00 N ATOM 367 CA LYS A 23 11.399 -0.361 -11.496 1.00 0.00 C ATOM 368 C LYS A 23 12.310 -0.743 -10.337 1.00 0.00 C ATOM 369 O LYS A 23 12.383 -1.910 -9.951 1.00 0.00 O ATOM 370 CB LYS A 23 12.215 -0.218 -12.781 1.00 0.00 C ATOM 371 CG LYS A 23 11.380 -0.146 -14.053 1.00 0.00 C ATOM 372 CD LYS A 23 12.250 0.118 -15.272 1.00 0.00 C ATOM 373 CE LYS A 23 11.411 0.249 -16.534 1.00 0.00 C ATOM 374 NZ LYS A 23 12.233 0.641 -17.711 1.00 0.00 N ATOM 375 H LYS A 23 10.802 1.669 -11.819 1.00 0.00 H ATOM 376 HA LYS A 23 10.674 -1.161 -11.650 1.00 0.00 H ATOM 377 1HB LYS A 23 12.822 0.686 -12.729 1.00 0.00 H ATOM 378 2HB LYS A 23 12.896 -1.064 -12.876 1.00 0.00 H ATOM 379 1HG LYS A 23 10.848 -1.088 -14.193 1.00 0.00 H ATOM 380 2HG LYS A 23 10.646 0.654 -13.961 1.00 0.00 H ATOM 381 1HD LYS A 23 12.815 1.039 -15.124 1.00 0.00 H ATOM 382 2HD LYS A 23 12.955 -0.704 -15.400 1.00 0.00 H ATOM 383 1HE LYS A 23 10.923 -0.701 -16.748 1.00 0.00 H ATOM 384 2HE LYS A 23 10.638 1.002 -16.381 1.00 0.00 H ATOM 385 1HZ LYS A 23 11.641 0.718 -18.526 1.00 0.00 H ATOM 386 2HZ LYS A 23 12.675 1.532 -17.532 1.00 0.00 H ATOM 387 3HZ LYS A 23 12.942 -0.059 -17.876 1.00 0.00 H ATOM 388 N ILE A 24 13.003 0.246 -9.784 1.00 0.00 N ATOM 389 CA ILE A 24 13.893 0.019 -8.652 1.00 0.00 C ATOM 390 C ILE A 24 13.124 -0.498 -7.442 1.00 0.00 C ATOM 391 O ILE A 24 13.526 -1.475 -6.811 1.00 0.00 O ATOM 392 CB ILE A 24 14.640 1.311 -8.272 1.00 0.00 C ATOM 393 CG1 ILE A 24 15.642 1.689 -9.365 1.00 0.00 C ATOM 394 CG2 ILE A 24 15.344 1.145 -6.934 1.00 0.00 C ATOM 395 CD1 ILE A 24 16.200 3.087 -9.225 1.00 0.00 C ATOM 396 H ILE A 24 12.912 1.180 -10.159 1.00 0.00 H ATOM 397 HA ILE A 24 14.636 -0.726 -8.939 1.00 0.00 H ATOM 398 HB ILE A 24 13.929 2.134 -8.198 1.00 0.00 H ATOM 399 1HG1 ILE A 24 16.475 0.987 -9.354 1.00 0.00 H ATOM 400 2HG1 ILE A 24 15.163 1.611 -10.341 1.00 0.00 H ATOM 401 1HG2 ILE A 24 15.867 2.067 -6.681 1.00 0.00 H ATOM 402 2HG2 ILE A 24 14.609 0.921 -6.162 1.00 0.00 H ATOM 403 3HG2 ILE A 24 16.061 0.327 -7.000 1.00 0.00 H ATOM 404 1HD1 ILE A 24 16.903 3.282 -10.036 1.00 0.00 H ATOM 405 2HD1 ILE A 24 15.386 3.811 -9.269 1.00 0.00 H ATOM 406 3HD1 ILE A 24 16.716 3.178 -8.270 1.00 0.00 H ATOM 407 N VAL A 25 12.017 0.164 -7.124 1.00 0.00 N ATOM 408 CA VAL A 25 11.211 -0.203 -5.966 1.00 0.00 C ATOM 409 C VAL A 25 10.597 -1.586 -6.138 1.00 0.00 C ATOM 410 O VAL A 25 10.513 -2.361 -5.185 1.00 0.00 O ATOM 411 CB VAL A 25 10.090 0.830 -5.747 1.00 0.00 C ATOM 412 CG1 VAL A 25 9.128 0.351 -4.669 1.00 0.00 C ATOM 413 CG2 VAL A 25 10.691 2.176 -5.374 1.00 0.00 C ATOM 414 H VAL A 25 11.726 0.941 -7.700 1.00 0.00 H ATOM 415 HA VAL A 25 11.855 -0.213 -5.086 1.00 0.00 H ATOM 416 HB VAL A 25 9.515 0.930 -6.668 1.00 0.00 H ATOM 417 1HG1 VAL A 25 8.342 1.093 -4.527 1.00 0.00 H ATOM 418 2HG1 VAL A 25 8.683 -0.596 -4.973 1.00 0.00 H ATOM 419 3HG1 VAL A 25 9.670 0.214 -3.733 1.00 0.00 H ATOM 420 1HG2 VAL A 25 9.892 2.901 -5.221 1.00 0.00 H ATOM 421 2HG2 VAL A 25 11.270 2.074 -4.455 1.00 0.00 H ATOM 422 3HG2 VAL A 25 11.343 2.519 -6.177 1.00 0.00 H ATOM 423 N GLU A 26 10.169 -1.891 -7.358 1.00 0.00 N ATOM 424 CA GLU A 26 9.570 -3.186 -7.659 1.00 0.00 C ATOM 425 C GLU A 26 10.577 -4.314 -7.477 1.00 0.00 C ATOM 426 O GLU A 26 10.235 -5.391 -6.987 1.00 0.00 O ATOM 427 CB GLU A 26 9.024 -3.202 -9.089 1.00 0.00 C ATOM 428 CG GLU A 26 8.245 -4.458 -9.450 1.00 0.00 C ATOM 429 CD GLU A 26 6.990 -4.621 -8.638 1.00 0.00 C ATOM 430 OE1 GLU A 26 6.541 -3.654 -8.071 1.00 0.00 O ATOM 431 OE2 GLU A 26 6.479 -5.715 -8.585 1.00 0.00 O ATOM 432 H GLU A 26 10.261 -1.208 -8.096 1.00 0.00 H ATOM 433 HA GLU A 26 8.736 -3.348 -6.976 1.00 0.00 H ATOM 434 1HB GLU A 26 8.366 -2.345 -9.236 1.00 0.00 H ATOM 435 2HB GLU A 26 9.850 -3.106 -9.794 1.00 0.00 H ATOM 436 1HG GLU A 26 7.978 -4.416 -10.506 1.00 0.00 H ATOM 437 2HG GLU A 26 8.885 -5.326 -9.299 1.00 0.00 H ATOM 438 N LYS A 27 11.819 -4.062 -7.874 1.00 0.00 N ATOM 439 CA LYS A 27 12.906 -5.004 -7.637 1.00 0.00 C ATOM 440 C LYS A 27 13.260 -5.077 -6.157 1.00 0.00 C ATOM 441 O LYS A 27 13.642 -6.132 -5.651 1.00 0.00 O ATOM 442 CB LYS A 27 14.139 -4.617 -8.454 1.00 0.00 C ATOM 443 CG LYS A 27 13.990 -4.825 -9.956 1.00 0.00 C ATOM 444 CD LYS A 27 15.244 -4.393 -10.701 1.00 0.00 C ATOM 445 CE LYS A 27 15.096 -4.601 -12.201 1.00 0.00 C ATOM 446 NZ LYS A 27 16.313 -4.175 -12.944 1.00 0.00 N ATOM 447 H LYS A 27 12.016 -3.194 -8.352 1.00 0.00 H ATOM 448 HA LYS A 27 12.585 -5.993 -7.968 1.00 0.00 H ATOM 449 1HB LYS A 27 14.373 -3.566 -8.284 1.00 0.00 H ATOM 450 2HB LYS A 27 14.996 -5.201 -8.119 1.00 0.00 H ATOM 451 1HG LYS A 27 13.801 -5.880 -10.160 1.00 0.00 H ATOM 452 2HG LYS A 27 13.143 -4.245 -10.321 1.00 0.00 H ATOM 453 1HD LYS A 27 15.438 -3.338 -10.506 1.00 0.00 H ATOM 454 2HD LYS A 27 16.096 -4.973 -10.346 1.00 0.00 H ATOM 455 1HE LYS A 27 14.911 -5.654 -12.406 1.00 0.00 H ATOM 456 2HE LYS A 27 14.244 -4.027 -12.566 1.00 0.00 H ATOM 457 1HZ LYS A 27 16.175 -4.328 -13.933 1.00 0.00 H ATOM 458 2HZ LYS A 27 16.484 -3.193 -12.777 1.00 0.00 H ATOM 459 3HZ LYS A 27 17.107 -4.713 -12.628 1.00 0.00 H ATOM 460 N ALA A 28 13.130 -3.948 -5.467 1.00 0.00 N ATOM 461 CA ALA A 28 13.402 -3.890 -4.036 1.00 0.00 C ATOM 462 C ALA A 28 12.218 -4.405 -3.229 1.00 0.00 C ATOM 463 O ALA A 28 12.337 -4.670 -2.033 1.00 0.00 O ATOM 464 CB ALA A 28 13.748 -2.467 -3.620 1.00 0.00 C ATOM 465 H ALA A 28 12.836 -3.110 -5.947 1.00 0.00 H ATOM 466 HA ALA A 28 14.255 -4.536 -3.827 1.00 0.00 H ATOM 467 1HB ALA A 28 13.948 -2.440 -2.549 1.00 0.00 H ATOM 468 2HB ALA A 28 14.632 -2.134 -4.163 1.00 0.00 H ATOM 469 3HB ALA A 28 12.911 -1.809 -3.849 1.00 0.00 H ATOM 470 N ASN A 29 11.074 -4.545 -3.890 1.00 0.00 N ATOM 471 CA ASN A 29 9.868 -5.043 -3.238 1.00 0.00 C ATOM 472 C ASN A 29 9.411 -4.101 -2.132 1.00 0.00 C ATOM 473 O ASN A 29 8.851 -4.536 -1.125 1.00 0.00 O ATOM 474 CB ASN A 29 10.096 -6.440 -2.691 1.00 0.00 C ATOM 475 CG ASN A 29 10.388 -7.443 -3.771 1.00 0.00 C ATOM 476 OD1 ASN A 29 9.678 -7.512 -4.781 1.00 0.00 O ATOM 477 ND2 ASN A 29 11.421 -8.224 -3.580 1.00 0.00 N ATOM 478 H ASN A 29 11.038 -4.300 -4.869 1.00 0.00 H ATOM 479 HA ASN A 29 9.067 -5.085 -3.978 1.00 0.00 H ATOM 480 1HB ASN A 29 10.931 -6.425 -1.989 1.00 0.00 H ATOM 481 2HB ASN A 29 9.212 -6.763 -2.141 1.00 0.00 H ATOM 482 1HD2 ASN A 29 11.663 -8.911 -4.265 1.00 0.00 H ATOM 483 2HD2 ASN A 29 11.968 -8.134 -2.748 1.00 0.00 H ATOM 484 N GLY A 30 9.653 -2.809 -2.324 1.00 0.00 N ATOM 485 CA GLY A 30 9.201 -1.796 -1.377 1.00 0.00 C ATOM 486 C GLY A 30 10.261 -1.519 -0.319 1.00 0.00 C ATOM 487 O GLY A 30 10.102 -0.627 0.514 1.00 0.00 O ATOM 488 H GLY A 30 10.163 -2.521 -3.147 1.00 0.00 H ATOM 489 1HA GLY A 30 8.968 -0.876 -1.913 1.00 0.00 H ATOM 490 2HA GLY A 30 8.282 -2.130 -0.898 1.00 0.00 H ATOM 491 N ASN A 31 11.343 -2.289 -0.357 1.00 0.00 N ATOM 492 CA ASN A 31 12.423 -2.143 0.612 1.00 0.00 C ATOM 493 C ASN A 31 13.266 -0.910 0.314 1.00 0.00 C ATOM 494 O ASN A 31 13.958 -0.850 -0.702 1.00 0.00 O ATOM 495 CB ASN A 31 13.289 -3.389 0.639 1.00 0.00 C ATOM 496 CG ASN A 31 14.347 -3.333 1.706 1.00 0.00 C ATOM 497 OD1 ASN A 31 15.080 -2.345 1.820 1.00 0.00 O ATOM 498 ND2 ASN A 31 14.439 -4.377 2.491 1.00 0.00 N ATOM 499 H ASN A 31 11.420 -2.995 -1.076 1.00 0.00 H ATOM 500 HA ASN A 31 11.984 -2.024 1.603 1.00 0.00 H ATOM 501 1HB ASN A 31 12.661 -4.264 0.811 1.00 0.00 H ATOM 502 2HB ASN A 31 13.772 -3.517 -0.329 1.00 0.00 H ATOM 503 1HD2 ASN A 31 15.125 -4.396 3.219 1.00 0.00 H ATOM 504 2HD2 ASN A 31 13.825 -5.155 2.363 1.00 0.00 H ATOM 505 N GLU A 32 13.205 0.073 1.206 1.00 0.00 N ATOM 506 CA GLU A 32 13.859 1.356 0.980 1.00 0.00 C ATOM 507 C GLU A 32 15.365 1.185 0.824 1.00 0.00 C ATOM 508 O GLU A 32 15.962 1.690 -0.127 1.00 0.00 O ATOM 509 CB GLU A 32 13.561 2.318 2.132 1.00 0.00 C ATOM 510 CG GLU A 32 14.153 3.709 1.959 1.00 0.00 C ATOM 511 CD GLU A 32 13.761 4.653 3.061 1.00 0.00 C ATOM 512 OE1 GLU A 32 12.967 4.274 3.888 1.00 0.00 O ATOM 513 OE2 GLU A 32 14.256 5.756 3.076 1.00 0.00 O ATOM 514 H GLU A 32 12.691 -0.073 2.064 1.00 0.00 H ATOM 515 HA GLU A 32 13.460 1.791 0.063 1.00 0.00 H ATOM 516 1HB GLU A 32 12.483 2.425 2.247 1.00 0.00 H ATOM 517 2HB GLU A 32 13.950 1.902 3.062 1.00 0.00 H ATOM 518 1HG GLU A 32 15.240 3.630 1.933 1.00 0.00 H ATOM 519 2HG GLU A 32 13.824 4.116 1.004 1.00 0.00 H ATOM 520 N ASP A 33 15.975 0.472 1.765 1.00 0.00 N ATOM 521 CA ASP A 33 17.421 0.287 1.769 1.00 0.00 C ATOM 522 C ASP A 33 17.889 -0.434 0.512 1.00 0.00 C ATOM 523 O ASP A 33 18.930 -0.102 -0.055 1.00 0.00 O ATOM 524 CB ASP A 33 17.858 -0.499 3.008 1.00 0.00 C ATOM 525 CG ASP A 33 17.752 0.312 4.292 1.00 0.00 C ATOM 526 OD1 ASP A 33 17.623 1.511 4.206 1.00 0.00 O ATOM 527 OD2 ASP A 33 17.802 -0.274 5.347 1.00 0.00 O ATOM 528 H ASP A 33 15.423 0.046 2.495 1.00 0.00 H ATOM 529 HA ASP A 33 17.895 1.269 1.806 1.00 0.00 H ATOM 530 1HB ASP A 33 17.242 -1.392 3.108 1.00 0.00 H ATOM 531 2HB ASP A 33 18.891 -0.826 2.886 1.00 0.00 H ATOM 532 N LYS A 34 17.113 -1.422 0.080 1.00 0.00 N ATOM 533 CA LYS A 34 17.441 -2.187 -1.118 1.00 0.00 C ATOM 534 C LYS A 34 17.298 -1.335 -2.372 1.00 0.00 C ATOM 535 O LYS A 34 18.091 -1.450 -3.307 1.00 0.00 O ATOM 536 CB LYS A 34 16.554 -3.428 -1.221 1.00 0.00 C ATOM 537 CG LYS A 34 16.870 -4.330 -2.406 1.00 0.00 C ATOM 538 CD LYS A 34 18.305 -4.831 -2.353 1.00 0.00 C ATOM 539 CE LYS A 34 18.535 -5.729 -1.146 1.00 0.00 C ATOM 540 NZ LYS A 34 19.905 -6.310 -1.138 1.00 0.00 N ATOM 541 H LYS A 34 16.274 -1.649 0.594 1.00 0.00 H ATOM 542 HA LYS A 34 18.476 -2.524 -1.040 1.00 0.00 H ATOM 543 1HB LYS A 34 16.652 -4.022 -0.312 1.00 0.00 H ATOM 544 2HB LYS A 34 15.510 -3.123 -1.301 1.00 0.00 H ATOM 545 1HG LYS A 34 16.195 -5.187 -2.402 1.00 0.00 H ATOM 546 2HG LYS A 34 16.721 -3.778 -3.334 1.00 0.00 H ATOM 547 1HD LYS A 34 18.529 -5.392 -3.261 1.00 0.00 H ATOM 548 2HD LYS A 34 18.985 -3.981 -2.295 1.00 0.00 H ATOM 549 1HE LYS A 34 18.392 -5.154 -0.233 1.00 0.00 H ATOM 550 2HE LYS A 34 17.809 -6.542 -1.155 1.00 0.00 H ATOM 551 1HZ LYS A 34 20.016 -6.898 -0.324 1.00 0.00 H ATOM 552 2HZ LYS A 34 20.042 -6.862 -1.973 1.00 0.00 H ATOM 553 3HZ LYS A 34 20.587 -5.566 -1.110 1.00 0.00 H ATOM 554 N ALA A 35 16.283 -0.478 -2.387 1.00 0.00 N ATOM 555 CA ALA A 35 16.079 0.450 -3.493 1.00 0.00 C ATOM 556 C ALA A 35 17.268 1.390 -3.650 1.00 0.00 C ATOM 557 O ALA A 35 17.679 1.705 -4.766 1.00 0.00 O ATOM 558 CB ALA A 35 14.799 1.246 -3.287 1.00 0.00 C ATOM 559 H ALA A 35 15.635 -0.469 -1.612 1.00 0.00 H ATOM 560 HA ALA A 35 15.965 -0.127 -4.412 1.00 0.00 H ATOM 561 1HB ALA A 35 14.660 1.934 -4.121 1.00 0.00 H ATOM 562 2HB ALA A 35 13.950 0.564 -3.235 1.00 0.00 H ATOM 563 3HB ALA A 35 14.867 1.811 -2.359 1.00 0.00 H ATOM 564 N GLN A 36 17.816 1.834 -2.524 1.00 0.00 N ATOM 565 CA GLN A 36 18.994 2.694 -2.533 1.00 0.00 C ATOM 566 C GLN A 36 20.217 1.948 -3.050 1.00 0.00 C ATOM 567 O GLN A 36 21.016 2.497 -3.808 1.00 0.00 O ATOM 568 CB GLN A 36 19.269 3.241 -1.130 1.00 0.00 C ATOM 569 CG GLN A 36 18.218 4.212 -0.622 1.00 0.00 C ATOM 570 CD GLN A 36 18.135 5.469 -1.467 1.00 0.00 C ATOM 571 OE1 GLN A 36 19.142 6.141 -1.706 1.00 0.00 O ATOM 572 NE2 GLN A 36 16.931 5.795 -1.925 1.00 0.00 N ATOM 573 H GLN A 36 17.407 1.570 -1.639 1.00 0.00 H ATOM 574 HA GLN A 36 18.798 3.542 -3.191 1.00 0.00 H ATOM 575 1HB GLN A 36 19.332 2.413 -0.423 1.00 0.00 H ATOM 576 2HB GLN A 36 20.232 3.752 -1.121 1.00 0.00 H ATOM 577 1HG GLN A 36 17.245 3.721 -0.643 1.00 0.00 H ATOM 578 2HG GLN A 36 18.468 4.502 0.398 1.00 0.00 H ATOM 579 1HE2 GLN A 36 16.815 6.614 -2.489 1.00 0.00 H ATOM 580 2HE2 GLN A 36 16.141 5.222 -1.708 1.00 0.00 H ATOM 581 N GLU A 37 20.357 0.693 -2.636 1.00 0.00 N ATOM 582 CA GLU A 37 21.418 -0.168 -3.145 1.00 0.00 C ATOM 583 C GLU A 37 21.327 -0.319 -4.658 1.00 0.00 C ATOM 584 O GLU A 37 22.317 -0.143 -5.369 1.00 0.00 O ATOM 585 CB GLU A 37 21.352 -1.545 -2.480 1.00 0.00 C ATOM 586 CG GLU A 37 22.408 -2.528 -2.965 1.00 0.00 C ATOM 587 CD GLU A 37 22.260 -3.894 -2.354 1.00 0.00 C ATOM 588 OE1 GLU A 37 21.537 -4.020 -1.395 1.00 0.00 O ATOM 589 OE2 GLU A 37 22.872 -4.812 -2.847 1.00 0.00 O ATOM 590 H GLU A 37 19.711 0.326 -1.951 1.00 0.00 H ATOM 591 HA GLU A 37 22.379 0.283 -2.895 1.00 0.00 H ATOM 592 1HB GLU A 37 21.467 -1.434 -1.402 1.00 0.00 H ATOM 593 2HB GLU A 37 20.373 -1.989 -2.661 1.00 0.00 H ATOM 594 1HG GLU A 37 22.337 -2.617 -4.048 1.00 0.00 H ATOM 595 2HG GLU A 37 23.394 -2.133 -2.725 1.00 0.00 H ATOM 596 N ILE A 38 20.135 -0.645 -5.144 1.00 0.00 N ATOM 597 CA ILE A 38 19.917 -0.835 -6.573 1.00 0.00 C ATOM 598 C ILE A 38 20.283 0.418 -7.358 1.00 0.00 C ATOM 599 O ILE A 38 20.960 0.344 -8.384 1.00 0.00 O ATOM 600 CB ILE A 38 18.451 -1.211 -6.860 1.00 0.00 C ATOM 601 CG1 ILE A 38 18.142 -2.608 -6.316 1.00 0.00 C ATOM 602 CG2 ILE A 38 18.167 -1.142 -8.352 1.00 0.00 C ATOM 603 CD1 ILE A 38 16.667 -2.937 -6.281 1.00 0.00 C ATOM 604 H ILE A 38 19.360 -0.766 -4.508 1.00 0.00 H ATOM 605 HA ILE A 38 20.547 -1.657 -6.914 1.00 0.00 H ATOM 606 HB ILE A 38 17.790 -0.518 -6.341 1.00 0.00 H ATOM 607 1HG1 ILE A 38 18.644 -3.356 -6.929 1.00 0.00 H ATOM 608 2HG1 ILE A 38 18.535 -2.700 -5.303 1.00 0.00 H ATOM 609 1HG2 ILE A 38 17.127 -1.411 -8.537 1.00 0.00 H ATOM 610 2HG2 ILE A 38 18.349 -0.130 -8.711 1.00 0.00 H ATOM 611 3HG2 ILE A 38 18.821 -1.837 -8.880 1.00 0.00 H ATOM 612 1HD1 ILE A 38 16.528 -3.943 -5.883 1.00 0.00 H ATOM 613 2HD1 ILE A 38 16.150 -2.220 -5.643 1.00 0.00 H ATOM 614 3HD1 ILE A 38 16.259 -2.887 -7.289 1.00 0.00 H ATOM 615 N LEU A 39 19.833 1.569 -6.869 1.00 0.00 N ATOM 616 CA LEU A 39 20.159 2.846 -7.492 1.00 0.00 C ATOM 617 C LEU A 39 21.666 3.038 -7.597 1.00 0.00 C ATOM 618 O LEU A 39 22.185 3.386 -8.658 1.00 0.00 O ATOM 619 CB LEU A 39 19.544 3.999 -6.690 1.00 0.00 C ATOM 620 CG LEU A 39 19.884 5.410 -7.186 1.00 0.00 C ATOM 621 CD1 LEU A 39 19.380 5.583 -8.612 1.00 0.00 C ATOM 622 CD2 LEU A 39 19.259 6.440 -6.257 1.00 0.00 C ATOM 623 H LEU A 39 19.249 1.558 -6.045 1.00 0.00 H ATOM 624 HA LEU A 39 19.734 2.859 -8.497 1.00 0.00 H ATOM 625 1HB LEU A 39 18.461 3.895 -6.706 1.00 0.00 H ATOM 626 2HB LEU A 39 19.881 3.922 -5.656 1.00 0.00 H ATOM 627 HG LEU A 39 20.967 5.542 -7.197 1.00 0.00 H ATOM 628 1HD1 LEU A 39 19.622 6.585 -8.965 1.00 0.00 H ATOM 629 2HD1 LEU A 39 19.858 4.846 -9.259 1.00 0.00 H ATOM 630 3HD1 LEU A 39 18.300 5.441 -8.636 1.00 0.00 H ATOM 631 1HD2 LEU A 39 19.501 7.443 -6.609 1.00 0.00 H ATOM 632 2HD2 LEU A 39 18.176 6.311 -6.246 1.00 0.00 H ATOM 633 3HD2 LEU A 39 19.650 6.306 -5.248 1.00 0.00 H ATOM 634 N LYS A 40 22.365 2.811 -6.490 1.00 0.00 N ATOM 635 CA LYS A 40 23.814 2.970 -6.452 1.00 0.00 C ATOM 636 C LYS A 40 24.496 2.042 -7.449 1.00 0.00 C ATOM 637 O LYS A 40 25.500 2.404 -8.062 1.00 0.00 O ATOM 638 CB LYS A 40 24.345 2.709 -5.041 1.00 0.00 C ATOM 639 CG LYS A 40 23.999 3.793 -4.029 1.00 0.00 C ATOM 640 CD LYS A 40 24.519 3.440 -2.643 1.00 0.00 C ATOM 641 CE LYS A 40 24.160 4.513 -1.626 1.00 0.00 C ATOM 642 NZ LYS A 40 24.651 4.176 -0.263 1.00 0.00 N ATOM 643 H LYS A 40 21.880 2.520 -5.653 1.00 0.00 H ATOM 644 HA LYS A 40 24.056 4.001 -6.712 1.00 0.00 H ATOM 645 1HB LYS A 40 23.945 1.765 -4.671 1.00 0.00 H ATOM 646 2HB LYS A 40 25.430 2.614 -5.073 1.00 0.00 H ATOM 647 1HG LYS A 40 24.441 4.739 -4.343 1.00 0.00 H ATOM 648 2HG LYS A 40 22.918 3.915 -3.981 1.00 0.00 H ATOM 649 1HD LYS A 40 24.089 2.490 -2.324 1.00 0.00 H ATOM 650 2HD LYS A 40 25.603 3.334 -2.677 1.00 0.00 H ATOM 651 1HE LYS A 40 24.596 5.463 -1.931 1.00 0.00 H ATOM 652 2HE LYS A 40 23.077 4.632 -1.589 1.00 0.00 H ATOM 653 1HZ LYS A 40 24.393 4.910 0.380 1.00 0.00 H ATOM 654 2HZ LYS A 40 24.238 3.304 0.038 1.00 0.00 H ATOM 655 3HZ LYS A 40 25.657 4.082 -0.281 1.00 0.00 H ATOM 656 N ARG A 41 23.945 0.843 -7.606 1.00 0.00 N ATOM 657 CA ARG A 41 24.460 -0.115 -8.577 1.00 0.00 C ATOM 658 C ARG A 41 24.219 0.363 -10.003 1.00 0.00 C ATOM 659 O ARG A 41 25.043 0.142 -10.890 1.00 0.00 O ATOM 660 CB ARG A 41 23.807 -1.476 -8.385 1.00 0.00 C ATOM 661 CG ARG A 41 24.240 -2.222 -7.133 1.00 0.00 C ATOM 662 CD ARG A 41 23.580 -3.548 -7.028 1.00 0.00 C ATOM 663 NE ARG A 41 23.931 -4.232 -5.794 1.00 0.00 N ATOM 664 CZ ARG A 41 25.053 -4.955 -5.613 1.00 0.00 C ATOM 665 NH1 ARG A 41 25.921 -5.079 -6.593 1.00 0.00 N ATOM 666 NH2 ARG A 41 25.282 -5.541 -4.450 1.00 0.00 N ATOM 667 H ARG A 41 23.150 0.589 -7.038 1.00 0.00 H ATOM 668 HA ARG A 41 25.534 -0.223 -8.422 1.00 0.00 H ATOM 669 1HB ARG A 41 22.725 -1.357 -8.340 1.00 0.00 H ATOM 670 2HB ARG A 41 24.031 -2.111 -9.242 1.00 0.00 H ATOM 671 1HG ARG A 41 25.319 -2.377 -7.157 1.00 0.00 H ATOM 672 2HG ARG A 41 23.977 -1.636 -6.251 1.00 0.00 H ATOM 673 1HD ARG A 41 22.498 -3.418 -7.049 1.00 0.00 H ATOM 674 2HD ARG A 41 23.886 -4.174 -7.864 1.00 0.00 H ATOM 675 HE ARG A 41 23.288 -4.160 -5.017 1.00 0.00 H ATOM 676 1HH1 ARG A 41 25.746 -4.631 -7.482 1.00 0.00 H ATOM 677 2HH1 ARG A 41 26.762 -5.621 -6.458 1.00 0.00 H ATOM 678 1HH2 ARG A 41 24.615 -5.446 -3.697 1.00 0.00 H ATOM 679 2HH2 ARG A 41 26.123 -6.082 -4.315 1.00 0.00 H ATOM 680 N LEU A 42 23.084 1.021 -10.218 1.00 0.00 N ATOM 681 CA LEU A 42 22.756 1.577 -11.525 1.00 0.00 C ATOM 682 C LEU A 42 23.625 2.788 -11.842 1.00 0.00 C ATOM 683 O LEU A 42 23.991 3.016 -12.995 1.00 0.00 O ATOM 684 CB LEU A 42 21.276 1.975 -11.576 1.00 0.00 C ATOM 685 CG LEU A 42 20.274 0.814 -11.537 1.00 0.00 C ATOM 686 CD1 LEU A 42 18.861 1.366 -11.398 1.00 0.00 C ATOM 687 CD2 LEU A 42 20.412 -0.020 -12.802 1.00 0.00 C ATOM 688 H LEU A 42 22.432 1.138 -9.456 1.00 0.00 H ATOM 689 HA LEU A 42 22.934 0.811 -12.281 1.00 0.00 H ATOM 690 1HB LEU A 42 21.062 2.625 -10.729 1.00 0.00 H ATOM 691 2HB LEU A 42 21.098 2.536 -12.493 1.00 0.00 H ATOM 692 HG LEU A 42 20.474 0.188 -10.667 1.00 0.00 H ATOM 693 1HD1 LEU A 42 18.149 0.541 -11.370 1.00 0.00 H ATOM 694 2HD1 LEU A 42 18.785 1.941 -10.475 1.00 0.00 H ATOM 695 3HD1 LEU A 42 18.637 2.010 -12.247 1.00 0.00 H ATOM 696 1HD2 LEU A 42 19.701 -0.845 -12.774 1.00 0.00 H ATOM 697 2HD2 LEU A 42 20.210 0.604 -13.673 1.00 0.00 H ATOM 698 3HD2 LEU A 42 21.426 -0.416 -12.867 1.00 0.00 H ATOM 699 N LEU A 43 23.951 3.561 -10.812 1.00 0.00 N ATOM 700 CA LEU A 43 24.786 4.745 -10.978 1.00 0.00 C ATOM 701 C LEU A 43 26.234 4.364 -11.257 1.00 0.00 C ATOM 702 O LEU A 43 26.709 3.322 -10.807 1.00 0.00 O ATOM 703 OXT LEU A 43 26.926 5.084 -11.923 1.00 0.00 O ATOM 704 CB LEU A 43 24.715 5.623 -9.722 1.00 0.00 C ATOM 705 CG LEU A 43 23.353 6.271 -9.439 1.00 0.00 C ATOM 706 CD1 LEU A 43 23.387 6.953 -8.079 1.00 0.00 C ATOM 707 CD2 LEU A 43 23.026 7.267 -10.542 1.00 0.00 C ATOM 708 H LEU A 43 23.613 3.322 -9.891 1.00 0.00 H ATOM 709 HA LEU A 43 24.411 5.316 -11.826 1.00 0.00 H ATOM 710 1HB LEU A 43 24.978 5.015 -8.858 1.00 0.00 H ATOM 711 2HB LEU A 43 25.449 6.423 -9.815 1.00 0.00 H ATOM 712 HG LEU A 43 22.583 5.500 -9.407 1.00 0.00 H ATOM 713 1HD1 LEU A 43 22.420 7.414 -7.878 1.00 0.00 H ATOM 714 2HD1 LEU A 43 23.604 6.215 -7.307 1.00 0.00 H ATOM 715 3HD1 LEU A 43 24.161 7.720 -8.075 1.00 0.00 H ATOM 716 1HD2 LEU A 43 22.058 7.727 -10.342 1.00 0.00 H ATOM 717 2HD2 LEU A 43 23.795 8.039 -10.575 1.00 0.00 H ATOM 718 3HD2 LEU A 43 22.990 6.750 -11.501 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE nods_bigger.blueprint.44_try14_pass_20150324010536_0001_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 rama omega fa_dun p_aa_pp ref total weights 0.8 0.44 0.75 0.004 0.7 1 1.17 1.17 1.17 1.1 1 0.2 0.5 0.56 0.32 1 NA pose -165.218 16.5995 97.8968 0.29253 -23.0341 0.10382 -23.2925 -1.98186 -0.61916 -5.93951 0 -6.76029 2.1287 43.2166 -5.09333 -13.5092 -85.2098 PRO:NtermProteinFull_1 -1.68832 0.16079 1.15679 0.00696 -0.01788 0.10382 0 0 0 0 0 0 0.05345 0.0633 0 -0.21929 -0.38038 ASP_2 -1.84674 0.09801 1.38369 0.00333 -0.0387 0 0 0 0 0 0 -0.161 0.00029 1.29722 0.01343 -1.28682 -0.53729 GLU_3 -3.10128 0.37979 2.53361 0.00529 -0.8828 0 0 0 0 -0.25022 0 -0.23877 0.08506 2.44498 -0.14686 -1.55374 -0.72495 LYS_4 -4.04391 0.42346 2.44161 0.00498 -0.85998 0 0 0 0 -0.39338 0 -0.15148 0.00057 0.90754 -0.04139 -0.28737 -1.99935 GLU_5 -4.34589 0.32723 3.28652 0.00552 -1.25765 0 0 0 0 -0.50143 0 -0.2486 0.01779 2.37132 -0.16495 -1.55374 -2.06389 ARG_6 -5.0069 0.34219 4.03626 0.01469 -2.11952 0 0 0 0 -0.44614 0 -0.12598 0.00416 1.48348 -0.09903 -0.14916 -2.06595 VAL_7 -4.94584 0.62745 2.13511 0.01548 -0.26084 0 0 0 0 0 0 -0.02012 0.10079 0.00776 0.01064 0.74484 -1.58473 ARG_8 -6.3795 0.52081 4.4269 0.01646 -1.71885 0 0 0 0 -0.50143 0 -0.10539 0.01442 1.54217 -0.10146 -0.14916 -2.43505 LYS_9 -4.36425 0.34342 2.7324 0.0031 -0.2344 0 0 0 0 0 0 -0.20148 0.06814 0.80913 -0.04958 -0.28737 -1.18089 LYS_10 -4.91373 0.47669 3.64319 0.00534 -0.96433 0 0 0 0 0 0 -0.12645 0.0158 0.84316 -0.03642 -0.28737 -1.34412 LEU_11 -6.62189 0.65381 2.38182 0.00629 -0.31518 0 0 0 0 0 0 -0.08198 0.03577 0.33786 -0.11993 0.60233 -3.1211 GLU_12 -4.93006 0.55015 3.58926 0.00471 -0.90893 0 0 0 0 0 0 -0.23073 0.04765 2.13387 -0.11003 -1.55374 -1.40784 LYS_13 -2.42315 0.39773 1.33544 0.00315 -0.05077 0 0 0 0 0 0 -0.26991 0.01038 0.70495 -0.03962 -0.28737 -0.61918 GLN_14 -3.89863 0.4016 2.70281 0.00323 -0.53413 0 0 0 0 -0.8788 0 -0.26144 0.15801 2.44299 -0.05934 -1.17797 -1.10168 GLY_15 -1.33229 0.34264 0.8601 1e-05 0.03935 0 0 0 0 0 0 -0.14127 0.03902 0 -0.80521 0.14053 -0.85711 VAL_16 -3.78333 0.49603 1.31486 0.01249 0.02896 0 0 0 0 0 0 -0.21289 0.01859 0.04729 -0.25141 0.74484 -1.58458 SER_17 -2.42379 0.43617 1.80154 0.00167 -0.5851 0 0 0 0 0 0 -0.18544 0.32728 0.30746 -0.00641 0.17658 -0.15003 SER_18 -2.29477 0.15409 1.70599 0.00141 -0.49456 0 0 0 0 0 0 -0.18447 0.08909 0.28531 0.01137 0.17658 -0.54996 GLU_19 -3.15721 0.40469 2.46122 0.00742 -0.83002 0 0 0 0 0 0 -0.04944 0.00636 2.1415 -0.10551 -1.55374 -0.67474 ASP_20 -3.84391 0.27392 2.49788 0.00338 -0.57163 0 0 0 0 0 0 -0.17671 0.03035 1.30892 -0.00852 -1.28682 -1.77313 ALA_21 -4.78504 0.42389 1.97896 0.00073 -0.22027 0 0 0 0 0 0 -0.10398 0.12587 0 -0.14719 0.59294 -2.1341 LYS_22 -3.2511 0.22448 1.87704 0.00533 -0.20241 0 0 0 0 0 0 -0.16298 0.00443 0.87709 -0.04463 -0.28737 -0.96012 LYS_23 -4.25715 0.30346 2.86957 0.00317 -0.87351 0 0 0 0 0 0 -0.17858 0.00612 0.95148 -0.04713 -0.28737 -1.50994 ILE_24 -5.88414 0.54503 1.70271 0.02051 -0.27708 0 0 0 0 0 0 0.00073 0.0169 0.08695 -0.11319 0.8318 -3.06979 VAL_25 -5.24903 0.80919 2.12516 0.01629 -0.39064 0 0 0 0 0 0 -0.07306 0.00097 0.06376 0.04241 0.74484 -1.9101 GLU_26 -3.10896 0.21616 2.38079 0.00862 -0.94359 0 0 0 0 -0.39338 0 -0.24447 0.18695 2.56211 -0.12523 -1.55374 -1.01474 LYS_27 -2.81913 0.25448 1.44598 0.0031 -0.06185 0 0 0 0 0 0 -0.26137 0.01356 0.71632 -0.0285 -0.28737 -1.02478 ALA_28 -4.24156 0.65191 1.88454 0.00089 -0.33408 0 0 0 0 0 0 -0.2501 0.0023 0 -0.06636 0.59294 -1.75951 ASN_29 -2.46098 0.62486 1.72395 0.00439 -0.03122 0 0 0 0 0 0 -0.31702 0.0589 1.28357 -0.49839 -0.94198 -0.55394 GLY_30 -1.86499 0.23188 0.98919 0 0.00214 0 0 0 0 0 0 -0.38772 0.00514 0 -0.80573 0.14053 -1.68956 ASN_31 -4.01836 0.51578 2.58686 0.01168 -0.51806 0 0 0 -0.30958 0 0 -0.11908 0.17951 1.52967 -0.18469 -0.94198 -1.26826 GLU_32 -4.21335 0.40559 3.25768 0.00659 -1.90255 0 0 0 0 -0.19592 0 -0.10719 0.04475 2.1416 -0.10947 -1.55374 -2.226 ASP_33 -2.60415 0.14199 1.78403 0.00338 -0.20933 0 0 0 0 0 0 -0.12771 0.00107 1.27223 0.03816 -1.28682 -0.98714 LYS_34 -4.80252 0.45635 2.92677 0.01335 -1.23496 0 0 0 -0.30958 -0.37042 0 -0.23114 0.06512 2.3938 -0.02951 -0.28737 -1.41011 ALA_35 -4.32322 0.33036 1.89332 0.00074 -0.22494 0 0 0 0 0 0 -0.1918 0.03455 0 -0.19675 0.59294 -2.0848 GLN_36 -4.84406 0.3228 3.60491 0.00496 -0.6398 0 0 0 0 -0.8788 0 -0.16008 0.14338 2.23501 -0.12675 -1.17797 -1.5164 GLU_37 -4.76618 0.35438 3.65505 0.00782 -1.88484 0 0 0 0 -0.75 0 -0.10292 0.00252 2.24762 -0.10907 -1.55374 -2.89936 ILE_38 -5.38927 0.50869 1.90454 0.02048 -0.32624 0 0 0 0 0 0 0.01534 0.03442 0.07793 -0.05594 0.8318 -2.37823 LEU_39 -5.08521 0.55612 1.91673 0.00941 -0.25898 0 0 0 0 0 0 -0.00876 0.00151 0.32902 -0.09505 0.60233 -2.03289 LYS_40 -3.32474 0.23071 1.87615 0.0031 0.11702 0 0 0 0 0 0 -0.21975 0.0474 0.77439 -0.04891 -0.28737 -0.83199 ARG_41 -3.36353 0.28498 2.3312 0.00956 -0.6758 0 0 0 0 -0.37958 0 -0.22389 0.02934 1.54665 -0.10331 -0.14916 -0.69355 LEU_42 -2.64403 0.20337 1.28929 0.00671 0.23711 0 0 0 0 0 0 -0.13122 0.00105 0.14714 -0.12791 0.60233 -0.41616 LEU:CtermProteinFull_43 -2.57175 0.19239 1.46542 0.00679 0.39677 0 0 0 0 0 0 0 0 0.50008 0 0.60233 0.59202 #END_POSE_ENERGIES_TABLE nods_bigger.blueprint.44_try14_pass_20150324010536_0001_0001.pdb AlaCount 3 bb -0.046079 buried_minus_exposed 3437.93 buried_np 5099.47 buried_over_exposed 3.06911 cavity_volume 12.7423 contact_all 164 contact_core_SASA 164 contact_core_SCN 164 degree 10.2558 degree_core_SASA 10.2558 degree_core_SCN 10.2558 exposed_hydrophobics 1661.53 holes 1.1604 mismatch_probability 0.112449 one_core_each 1 pack 0.781873 percent_core_SASA 0.139502 percent_core_SCN 0.139502 res_count_core_SASA 6 res_count_core_SCN 6 ss_sc 0.785348 two_core_each 0.666667 unsat_hbond 5
HHH_rd1_0931.pdb
ATOM 1 N ASP A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA ASP A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C ASP A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O ASP A 1 1.855 2.156 -0.975 1.00 0.00 O ATOM 5 CB ASP A 1 1.995 -0.762 -1.214 1.00 0.00 C ATOM 6 CG ASP A 1 3.512 -0.894 -1.208 1.00 0.00 C ATOM 7 OD1 ASP A 1 4.141 -0.256 -0.397 1.00 0.00 O ATOM 8 OD2 ASP A 1 4.027 -1.631 -2.014 1.00 0.00 O ATOM 9 1H ASP A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 10 2H ASP A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 11 3H ASP A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 12 HA ASP A 1 1.804 -0.500 0.905 1.00 0.00 H ATOM 13 1HB ASP A 1 1.557 -1.760 -1.240 1.00 0.00 H ATOM 14 2HB ASP A 1 1.693 -0.249 -2.128 1.00 0.00 H ATOM 15 N ASP A 2 2.652 1.800 1.099 1.00 0.00 N ATOM 16 CA ASP A 2 3.174 3.152 1.252 1.00 0.00 C ATOM 17 C ASP A 2 4.243 3.451 0.208 1.00 0.00 C ATOM 18 O ASP A 2 4.379 4.587 -0.247 1.00 0.00 O ATOM 19 CB ASP A 2 3.755 3.348 2.655 1.00 0.00 C ATOM 20 CG ASP A 2 2.684 3.406 3.736 1.00 0.00 C ATOM 21 OD1 ASP A 2 1.534 3.558 3.398 1.00 0.00 O ATOM 22 OD2 ASP A 2 3.027 3.298 4.889 1.00 0.00 O ATOM 23 H ASP A 2 2.781 1.135 1.848 1.00 0.00 H ATOM 24 HA ASP A 2 2.353 3.858 1.123 1.00 0.00 H ATOM 25 1HB ASP A 2 4.437 2.529 2.884 1.00 0.00 H ATOM 26 2HB ASP A 2 4.331 4.273 2.685 1.00 0.00 H ATOM 27 N GLU A 3 4.999 2.426 -0.168 1.00 0.00 N ATOM 28 CA GLU A 3 6.074 2.582 -1.140 1.00 0.00 C ATOM 29 C GLU A 3 5.521 2.819 -2.539 1.00 0.00 C ATOM 30 O GLU A 3 6.130 3.521 -3.347 1.00 0.00 O ATOM 31 CB GLU A 3 6.977 1.347 -1.140 1.00 0.00 C ATOM 32 CG GLU A 3 7.788 1.160 0.134 1.00 0.00 C ATOM 33 CD GLU A 3 8.618 -0.093 0.121 1.00 0.00 C ATOM 34 OE1 GLU A 3 8.522 -0.837 -0.825 1.00 0.00 O ATOM 35 OE2 GLU A 3 9.349 -0.307 1.060 1.00 0.00 O ATOM 36 H GLU A 3 4.824 1.514 0.230 1.00 0.00 H ATOM 37 HA GLU A 3 6.678 3.443 -0.852 1.00 0.00 H ATOM 38 1HB GLU A 3 6.370 0.453 -1.284 1.00 0.00 H ATOM 39 2HB GLU A 3 7.675 1.406 -1.975 1.00 0.00 H ATOM 40 1HG GLU A 3 8.448 2.018 0.261 1.00 0.00 H ATOM 41 2HG GLU A 3 7.108 1.131 0.984 1.00 0.00 H ATOM 42 N GLN A 4 4.364 2.230 -2.821 1.00 0.00 N ATOM 43 CA GLN A 4 3.658 2.486 -4.070 1.00 0.00 C ATOM 44 C GLN A 4 3.144 3.919 -4.129 1.00 0.00 C ATOM 45 O GLN A 4 3.148 4.547 -5.187 1.00 0.00 O ATOM 46 CB GLN A 4 2.493 1.506 -4.238 1.00 0.00 C ATOM 47 CG GLN A 4 1.762 1.629 -5.564 1.00 0.00 C ATOM 48 CD GLN A 4 2.654 1.307 -6.748 1.00 0.00 C ATOM 49 OE1 GLN A 4 3.319 0.268 -6.778 1.00 0.00 O ATOM 50 NE2 GLN A 4 2.672 2.198 -7.733 1.00 0.00 N ATOM 51 H GLN A 4 3.964 1.587 -2.152 1.00 0.00 H ATOM 52 HA GLN A 4 4.350 2.328 -4.898 1.00 0.00 H ATOM 53 1HB GLN A 4 2.862 0.484 -4.150 1.00 0.00 H ATOM 54 2HB GLN A 4 1.768 1.662 -3.439 1.00 0.00 H ATOM 55 1HG GLN A 4 0.922 0.935 -5.570 1.00 0.00 H ATOM 56 2HG GLN A 4 1.402 2.652 -5.675 1.00 0.00 H ATOM 57 1HE2 GLN A 4 3.242 2.040 -8.541 1.00 0.00 H ATOM 58 2HE2 GLN A 4 2.117 3.027 -7.668 1.00 0.00 H ATOM 59 N GLU A 5 2.703 4.431 -2.985 1.00 0.00 N ATOM 60 CA GLU A 5 2.270 5.820 -2.884 1.00 0.00 C ATOM 61 C GLU A 5 3.440 6.777 -3.070 1.00 0.00 C ATOM 62 O GLU A 5 3.287 7.855 -3.644 1.00 0.00 O ATOM 63 CB GLU A 5 1.601 6.073 -1.531 1.00 0.00 C ATOM 64 CG GLU A 5 0.287 5.331 -1.330 1.00 0.00 C ATOM 65 CD GLU A 5 -0.758 5.710 -2.341 1.00 0.00 C ATOM 66 OE1 GLU A 5 -0.939 6.882 -2.571 1.00 0.00 O ATOM 67 OE2 GLU A 5 -1.378 4.826 -2.885 1.00 0.00 O ATOM 68 H GLU A 5 2.667 3.844 -2.164 1.00 0.00 H ATOM 69 HA GLU A 5 1.534 6.010 -3.666 1.00 0.00 H ATOM 70 1HB GLU A 5 2.278 5.776 -0.729 1.00 0.00 H ATOM 71 2HB GLU A 5 1.405 7.139 -1.416 1.00 0.00 H ATOM 72 1HG GLU A 5 0.472 4.260 -1.400 1.00 0.00 H ATOM 73 2HG GLU A 5 -0.088 5.543 -0.330 1.00 0.00 H ATOM 74 N LYS A 6 4.609 6.377 -2.582 1.00 0.00 N ATOM 75 CA LYS A 6 5.838 7.120 -2.831 1.00 0.00 C ATOM 76 C LYS A 6 6.155 7.177 -4.320 1.00 0.00 C ATOM 77 O LYS A 6 6.567 8.215 -4.837 1.00 0.00 O ATOM 78 CB LYS A 6 7.007 6.493 -2.069 1.00 0.00 C ATOM 79 CG LYS A 6 6.963 6.708 -0.562 1.00 0.00 C ATOM 80 CD LYS A 6 8.097 5.971 0.135 1.00 0.00 C ATOM 81 CE LYS A 6 8.157 6.319 1.615 1.00 0.00 C ATOM 82 NZ LYS A 6 9.173 5.506 2.337 1.00 0.00 N ATOM 83 H LYS A 6 4.647 5.536 -2.023 1.00 0.00 H ATOM 84 HA LYS A 6 5.709 8.138 -2.462 1.00 0.00 H ATOM 85 1HB LYS A 6 7.027 5.418 -2.253 1.00 0.00 H ATOM 86 2HB LYS A 6 7.946 6.906 -2.438 1.00 0.00 H ATOM 87 1HG LYS A 6 7.045 7.773 -0.344 1.00 0.00 H ATOM 88 2HG LYS A 6 6.012 6.347 -0.171 1.00 0.00 H ATOM 89 1HD LYS A 6 7.951 4.895 0.029 1.00 0.00 H ATOM 90 2HD LYS A 6 9.045 6.239 -0.330 1.00 0.00 H ATOM 91 1HE LYS A 6 8.404 7.373 1.731 1.00 0.00 H ATOM 92 2HE LYS A 6 7.182 6.145 2.070 1.00 0.00 H ATOM 93 1HZ LYS A 6 9.181 5.766 3.313 1.00 0.00 H ATOM 94 2HZ LYS A 6 8.943 4.525 2.252 1.00 0.00 H ATOM 95 3HZ LYS A 6 10.085 5.673 1.937 1.00 0.00 H ATOM 96 N ILE A 7 5.959 6.056 -5.005 1.00 0.00 N ATOM 97 CA ILE A 7 6.132 6.002 -6.452 1.00 0.00 C ATOM 98 C ILE A 7 5.172 6.951 -7.157 1.00 0.00 C ATOM 99 O ILE A 7 5.558 7.664 -8.084 1.00 0.00 O ATOM 100 CB ILE A 7 5.918 4.570 -6.978 1.00 0.00 C ATOM 101 CG1 ILE A 7 7.045 3.652 -6.499 1.00 0.00 C ATOM 102 CG2 ILE A 7 5.833 4.569 -8.496 1.00 0.00 C ATOM 103 CD1 ILE A 7 6.768 2.182 -6.716 1.00 0.00 C ATOM 104 H ILE A 7 5.684 5.219 -4.511 1.00 0.00 H ATOM 105 HA ILE A 7 7.154 6.298 -6.690 1.00 0.00 H ATOM 106 HB ILE A 7 4.990 4.169 -6.571 1.00 0.00 H ATOM 107 1HG1 ILE A 7 7.967 3.906 -7.021 1.00 0.00 H ATOM 108 2HG1 ILE A 7 7.219 3.812 -5.435 1.00 0.00 H ATOM 109 1HG2 ILE A 7 5.682 3.549 -8.851 1.00 0.00 H ATOM 110 2HG2 ILE A 7 4.998 5.191 -8.814 1.00 0.00 H ATOM 111 3HG2 ILE A 7 6.760 4.964 -8.913 1.00 0.00 H ATOM 112 1HD1 ILE A 7 7.612 1.595 -6.352 1.00 0.00 H ATOM 113 2HD1 ILE A 7 5.867 1.897 -6.172 1.00 0.00 H ATOM 114 3HD1 ILE A 7 6.626 1.991 -7.778 1.00 0.00 H ATOM 115 N LYS A 8 3.920 6.956 -6.713 1.00 0.00 N ATOM 116 CA LYS A 8 2.907 7.834 -7.287 1.00 0.00 C ATOM 117 C LYS A 8 3.333 9.294 -7.206 1.00 0.00 C ATOM 118 O LYS A 8 3.223 10.038 -8.181 1.00 0.00 O ATOM 119 CB LYS A 8 1.565 7.637 -6.580 1.00 0.00 C ATOM 120 CG LYS A 8 0.881 6.311 -6.885 1.00 0.00 C ATOM 121 CD LYS A 8 -0.420 6.169 -6.111 1.00 0.00 C ATOM 122 CE LYS A 8 -1.063 4.811 -6.350 1.00 0.00 C ATOM 123 NZ LYS A 8 -2.305 4.634 -5.550 1.00 0.00 N ATOM 124 H LYS A 8 3.663 6.337 -5.958 1.00 0.00 H ATOM 125 HA LYS A 8 2.772 7.567 -8.336 1.00 0.00 H ATOM 126 1HB LYS A 8 1.710 7.699 -5.501 1.00 0.00 H ATOM 127 2HB LYS A 8 0.883 8.439 -6.865 1.00 0.00 H ATOM 128 1HG LYS A 8 0.667 6.249 -7.953 1.00 0.00 H ATOM 129 2HG LYS A 8 1.545 5.490 -6.618 1.00 0.00 H ATOM 130 1HD LYS A 8 -0.223 6.286 -5.044 1.00 0.00 H ATOM 131 2HD LYS A 8 -1.115 6.949 -6.421 1.00 0.00 H ATOM 132 1HE LYS A 8 -1.307 4.706 -7.406 1.00 0.00 H ATOM 133 2HE LYS A 8 -0.358 4.023 -6.083 1.00 0.00 H ATOM 134 1HZ LYS A 8 -2.699 3.723 -5.736 1.00 0.00 H ATOM 135 2HZ LYS A 8 -2.086 4.711 -4.566 1.00 0.00 H ATOM 136 3HZ LYS A 8 -2.973 5.347 -5.803 1.00 0.00 H ATOM 137 N GLU A 9 3.820 9.699 -6.038 1.00 0.00 N ATOM 138 CA GLU A 9 4.319 11.056 -5.845 1.00 0.00 C ATOM 139 C GLU A 9 5.475 11.357 -6.789 1.00 0.00 C ATOM 140 O GLU A 9 5.479 12.380 -7.475 1.00 0.00 O ATOM 141 CB GLU A 9 4.765 11.258 -4.395 1.00 0.00 C ATOM 142 CG GLU A 9 5.308 12.648 -4.093 1.00 0.00 C ATOM 143 CD GLU A 9 5.777 12.796 -2.672 1.00 0.00 C ATOM 144 OE1 GLU A 9 5.396 11.994 -1.854 1.00 0.00 O ATOM 145 OE2 GLU A 9 6.516 13.714 -2.405 1.00 0.00 O ATOM 146 H GLU A 9 3.846 9.051 -5.264 1.00 0.00 H ATOM 147 HA GLU A 9 3.508 11.755 -6.051 1.00 0.00 H ATOM 148 1HB GLU A 9 3.924 11.075 -3.727 1.00 0.00 H ATOM 149 2HB GLU A 9 5.542 10.534 -4.149 1.00 0.00 H ATOM 150 1HG GLU A 9 6.144 12.853 -4.762 1.00 0.00 H ATOM 151 2HG GLU A 9 4.530 13.382 -4.293 1.00 0.00 H ATOM 152 N ALA A 10 6.456 10.461 -6.821 1.00 0.00 N ATOM 153 CA ALA A 10 7.624 10.633 -7.677 1.00 0.00 C ATOM 154 C ALA A 10 7.224 10.710 -9.145 1.00 0.00 C ATOM 155 O ALA A 10 7.801 11.477 -9.915 1.00 0.00 O ATOM 156 CB ALA A 10 8.614 9.499 -7.456 1.00 0.00 C ATOM 157 H ALA A 10 6.391 9.640 -6.237 1.00 0.00 H ATOM 158 HA ALA A 10 8.121 11.564 -7.400 1.00 0.00 H ATOM 159 1HB ALA A 10 9.480 9.641 -8.102 1.00 0.00 H ATOM 160 2HB ALA A 10 8.935 9.493 -6.415 1.00 0.00 H ATOM 161 3HB ALA A 10 8.137 8.549 -7.694 1.00 0.00 H ATOM 162 N LYS A 11 6.234 9.910 -9.526 1.00 0.00 N ATOM 163 CA LYS A 11 5.720 9.924 -10.890 1.00 0.00 C ATOM 164 C LYS A 11 5.120 11.281 -11.238 1.00 0.00 C ATOM 165 O LYS A 11 5.340 11.805 -12.330 1.00 0.00 O ATOM 166 CB LYS A 11 4.675 8.823 -11.080 1.00 0.00 C ATOM 167 CG LYS A 11 4.141 8.701 -12.501 1.00 0.00 C ATOM 168 CD LYS A 11 3.156 7.548 -12.624 1.00 0.00 C ATOM 169 CE LYS A 11 2.604 7.439 -14.037 1.00 0.00 C ATOM 170 NZ LYS A 11 1.605 6.344 -14.162 1.00 0.00 N ATOM 171 H LYS A 11 5.828 9.275 -8.853 1.00 0.00 H ATOM 172 HA LYS A 11 6.545 9.720 -11.573 1.00 0.00 H ATOM 173 1HB LYS A 11 5.105 7.861 -10.800 1.00 0.00 H ATOM 174 2HB LYS A 11 3.828 9.008 -10.419 1.00 0.00 H ATOM 175 1HG LYS A 11 3.639 9.628 -12.782 1.00 0.00 H ATOM 176 2HG LYS A 11 4.970 8.535 -13.188 1.00 0.00 H ATOM 177 1HD LYS A 11 3.656 6.614 -12.365 1.00 0.00 H ATOM 178 2HD LYS A 11 2.328 7.701 -11.932 1.00 0.00 H ATOM 179 1HE LYS A 11 2.130 8.380 -14.316 1.00 0.00 H ATOM 180 2HE LYS A 11 3.421 7.249 -14.734 1.00 0.00 H ATOM 181 1HZ LYS A 11 1.264 6.304 -15.112 1.00 0.00 H ATOM 182 2HZ LYS A 11 2.038 5.463 -13.923 1.00 0.00 H ATOM 183 3HZ LYS A 11 0.833 6.519 -13.535 1.00 0.00 H ATOM 184 N LYS A 12 4.363 11.845 -10.303 1.00 0.00 N ATOM 185 CA LYS A 12 3.793 13.175 -10.479 1.00 0.00 C ATOM 186 C LYS A 12 4.885 14.232 -10.586 1.00 0.00 C ATOM 187 O LYS A 12 4.777 15.172 -11.374 1.00 0.00 O ATOM 188 CB LYS A 12 2.849 13.510 -9.323 1.00 0.00 C ATOM 189 CG LYS A 12 1.550 12.716 -9.322 1.00 0.00 C ATOM 190 CD LYS A 12 0.686 13.070 -8.121 1.00 0.00 C ATOM 191 CE LYS A 12 -0.604 12.263 -8.108 1.00 0.00 C ATOM 192 NZ LYS A 12 -1.449 12.583 -6.925 1.00 0.00 N ATOM 193 H LYS A 12 4.177 11.339 -9.449 1.00 0.00 H ATOM 194 HA LYS A 12 3.208 13.182 -11.399 1.00 0.00 H ATOM 195 1HB LYS A 12 3.354 13.326 -8.375 1.00 0.00 H ATOM 196 2HB LYS A 12 2.593 14.570 -9.358 1.00 0.00 H ATOM 197 1HG LYS A 12 0.992 12.929 -10.235 1.00 0.00 H ATOM 198 2HG LYS A 12 1.775 11.650 -9.295 1.00 0.00 H ATOM 199 1HD LYS A 12 1.240 12.869 -7.202 1.00 0.00 H ATOM 200 2HD LYS A 12 0.439 14.131 -8.150 1.00 0.00 H ATOM 201 1HE LYS A 12 -1.173 12.472 -9.012 1.00 0.00 H ATOM 202 2HE LYS A 12 -0.367 11.199 -8.092 1.00 0.00 H ATOM 203 1HZ LYS A 12 -2.292 12.028 -6.953 1.00 0.00 H ATOM 204 2HZ LYS A 12 -0.937 12.375 -6.079 1.00 0.00 H ATOM 205 3HZ LYS A 12 -1.690 13.563 -6.939 1.00 0.00 H ATOM 206 N ARG A 13 5.936 14.073 -9.790 1.00 0.00 N ATOM 207 CA ARG A 13 7.083 14.972 -9.844 1.00 0.00 C ATOM 208 C ARG A 13 7.865 14.789 -11.138 1.00 0.00 C ATOM 209 O ARG A 13 8.405 15.748 -11.689 1.00 0.00 O ATOM 210 CB ARG A 13 8.006 14.735 -8.659 1.00 0.00 C ATOM 211 CG ARG A 13 7.438 15.153 -7.312 1.00 0.00 C ATOM 212 CD ARG A 13 8.399 14.901 -6.208 1.00 0.00 C ATOM 213 NE ARG A 13 7.816 15.182 -4.906 1.00 0.00 N ATOM 214 CZ ARG A 13 7.732 16.408 -4.354 1.00 0.00 C ATOM 215 NH1 ARG A 13 8.197 17.454 -5.002 1.00 0.00 N ATOM 216 NH2 ARG A 13 7.183 16.560 -3.162 1.00 0.00 N ATOM 217 H ARG A 13 5.942 13.308 -9.129 1.00 0.00 H ATOM 218 HA ARG A 13 6.719 15.999 -9.798 1.00 0.00 H ATOM 219 1HB ARG A 13 8.255 13.676 -8.597 1.00 0.00 H ATOM 220 2HB ARG A 13 8.937 15.282 -8.808 1.00 0.00 H ATOM 221 1HG ARG A 13 7.207 16.218 -7.329 1.00 0.00 H ATOM 222 2HG ARG A 13 6.528 14.587 -7.109 1.00 0.00 H ATOM 223 1HD ARG A 13 8.707 13.856 -6.225 1.00 0.00 H ATOM 224 2HD ARG A 13 9.274 15.538 -6.335 1.00 0.00 H ATOM 225 HE ARG A 13 7.448 14.402 -4.377 1.00 0.00 H ATOM 226 1HH1 ARG A 13 8.617 17.338 -5.913 1.00 0.00 H ATOM 227 2HH1 ARG A 13 8.134 18.373 -4.588 1.00 0.00 H ATOM 228 1HH2 ARG A 13 6.826 15.756 -2.664 1.00 0.00 H ATOM 229 2HH2 ARG A 13 7.120 17.478 -2.748 1.00 0.00 H ATOM 230 N ALA A 14 7.923 13.552 -11.619 1.00 0.00 N ATOM 231 CA ALA A 14 8.692 13.230 -12.815 1.00 0.00 C ATOM 232 C ALA A 14 7.840 13.366 -14.071 1.00 0.00 C ATOM 233 O ALA A 14 8.348 13.285 -15.189 1.00 0.00 O ATOM 234 CB ALA A 14 9.264 11.823 -12.714 1.00 0.00 C ATOM 235 H ALA A 14 7.422 12.815 -11.143 1.00 0.00 H ATOM 236 HA ALA A 14 9.526 13.929 -12.889 1.00 0.00 H ATOM 237 1HB ALA A 14 9.835 11.597 -13.615 1.00 0.00 H ATOM 238 2HB ALA A 14 9.917 11.757 -11.844 1.00 0.00 H ATOM 239 3HB ALA A 14 8.451 11.106 -12.612 1.00 0.00 H ATOM 240 N ASN A 15 6.542 13.574 -13.879 1.00 0.00 N ATOM 241 CA ASN A 15 5.621 13.752 -14.996 1.00 0.00 C ATOM 242 C ASN A 15 5.593 12.518 -15.888 1.00 0.00 C ATOM 243 O ASN A 15 5.457 12.624 -17.107 1.00 0.00 O ATOM 244 CB ASN A 15 5.990 14.984 -15.800 1.00 0.00 C ATOM 245 CG ASN A 15 5.860 16.254 -15.005 1.00 0.00 C ATOM 246 OD1 ASN A 15 4.860 16.465 -14.309 1.00 0.00 O ATOM 247 ND2 ASN A 15 6.852 17.103 -15.094 1.00 0.00 N ATOM 248 H ASN A 15 6.183 13.609 -12.935 1.00 0.00 H ATOM 249 HA ASN A 15 4.615 13.885 -14.597 1.00 0.00 H ATOM 250 1HB ASN A 15 7.018 14.894 -16.154 1.00 0.00 H ATOM 251 2HB ASN A 15 5.347 15.052 -16.678 1.00 0.00 H ATOM 252 1HD2 ASN A 15 6.820 17.964 -14.586 1.00 0.00 H ATOM 253 2HD2 ASN A 15 7.642 16.890 -15.669 1.00 0.00 H ATOM 254 N GLY A 16 5.722 11.346 -15.274 1.00 0.00 N ATOM 255 CA GLY A 16 5.601 10.086 -15.996 1.00 0.00 C ATOM 256 C GLY A 16 6.967 9.557 -16.415 1.00 0.00 C ATOM 257 O GLY A 16 7.081 8.449 -16.938 1.00 0.00 O ATOM 258 H GLY A 16 5.909 11.329 -14.282 1.00 0.00 H ATOM 259 1HA GLY A 16 5.101 9.351 -15.365 1.00 0.00 H ATOM 260 2HA GLY A 16 4.977 10.229 -16.878 1.00 0.00 H ATOM 261 N ASN A 17 8.002 10.357 -16.182 1.00 0.00 N ATOM 262 CA ASN A 17 9.363 9.971 -16.535 1.00 0.00 C ATOM 263 C ASN A 17 9.925 8.962 -15.542 1.00 0.00 C ATOM 264 O ASN A 17 10.437 9.334 -14.486 1.00 0.00 O ATOM 265 CB ASN A 17 10.260 11.193 -16.619 1.00 0.00 C ATOM 266 CG ASN A 17 11.656 10.856 -17.064 1.00 0.00 C ATOM 267 OD1 ASN A 17 12.198 9.805 -16.705 1.00 0.00 O ATOM 268 ND2 ASN A 17 12.248 11.728 -17.840 1.00 0.00 N ATOM 269 H ASN A 17 7.842 11.255 -15.749 1.00 0.00 H ATOM 270 HA ASN A 17 9.347 9.506 -17.521 1.00 0.00 H ATOM 271 1HB ASN A 17 9.831 11.912 -17.319 1.00 0.00 H ATOM 272 2HB ASN A 17 10.309 11.676 -15.643 1.00 0.00 H ATOM 273 1HD2 ASN A 17 13.177 11.557 -18.167 1.00 0.00 H ATOM 274 2HD2 ASN A 17 11.771 12.566 -18.106 1.00 0.00 H ATOM 275 N TRP A 18 9.826 7.683 -15.887 1.00 0.00 N ATOM 276 CA TRP A 18 10.114 6.610 -14.942 1.00 0.00 C ATOM 277 C TRP A 18 11.579 6.620 -14.526 1.00 0.00 C ATOM 278 O TRP A 18 11.915 6.273 -13.394 1.00 0.00 O ATOM 279 CB TRP A 18 9.763 5.252 -15.554 1.00 0.00 C ATOM 280 CG TRP A 18 8.295 4.951 -15.541 1.00 0.00 C ATOM 281 CD1 TRP A 18 7.479 4.826 -16.625 1.00 0.00 C ATOM 282 CD2 TRP A 18 7.456 4.734 -14.380 1.00 0.00 C ATOM 283 NE1 TRP A 18 6.196 4.549 -16.221 1.00 0.00 N ATOM 284 CE2 TRP A 18 6.164 4.487 -14.851 1.00 0.00 C ATOM 285 CE3 TRP A 18 7.696 4.729 -13.000 1.00 0.00 C ATOM 286 CZ2 TRP A 18 5.105 4.238 -13.992 1.00 0.00 C ATOM 287 CZ3 TRP A 18 6.634 4.478 -12.139 1.00 0.00 C ATOM 288 CH2 TRP A 18 5.373 4.238 -12.623 1.00 0.00 C ATOM 289 H TRP A 18 9.545 7.447 -16.828 1.00 0.00 H ATOM 290 HA TRP A 18 9.497 6.756 -14.054 1.00 0.00 H ATOM 291 1HB TRP A 18 10.111 5.218 -16.587 1.00 0.00 H ATOM 292 2HB TRP A 18 10.279 4.463 -15.008 1.00 0.00 H ATOM 293 HD1 TRP A 18 7.798 4.931 -17.660 1.00 0.00 H ATOM 294 HE1 TRP A 18 5.403 4.413 -16.833 1.00 0.00 H ATOM 295 HE3 TRP A 18 8.696 4.916 -12.611 1.00 0.00 H ATOM 296 HZ2 TRP A 18 4.096 4.046 -14.357 1.00 0.00 H ATOM 297 HZ3 TRP A 18 6.829 4.476 -11.066 1.00 0.00 H ATOM 298 HH2 TRP A 18 4.563 4.044 -11.919 1.00 0.00 H ATOM 299 N ASP A 19 12.448 7.020 -15.449 1.00 0.00 N ATOM 300 CA ASP A 19 13.872 7.141 -15.159 1.00 0.00 C ATOM 301 C ASP A 19 14.125 8.175 -14.068 1.00 0.00 C ATOM 302 O ASP A 19 14.967 7.973 -13.193 1.00 0.00 O ATOM 303 CB ASP A 19 14.646 7.524 -16.422 1.00 0.00 C ATOM 304 CG ASP A 19 14.704 6.397 -17.445 1.00 0.00 C ATOM 305 OD1 ASP A 19 14.369 5.289 -17.100 1.00 0.00 O ATOM 306 OD2 ASP A 19 15.083 6.656 -18.563 1.00 0.00 O ATOM 307 H ASP A 19 12.113 7.245 -16.375 1.00 0.00 H ATOM 308 HA ASP A 19 14.239 6.174 -14.815 1.00 0.00 H ATOM 309 1HB ASP A 19 14.179 8.393 -16.886 1.00 0.00 H ATOM 310 2HB ASP A 19 15.665 7.804 -16.154 1.00 0.00 H ATOM 311 N ARG A 20 13.392 9.281 -14.127 1.00 0.00 N ATOM 312 CA ARG A 20 13.488 10.318 -13.106 1.00 0.00 C ATOM 313 C ARG A 20 12.846 9.867 -11.800 1.00 0.00 C ATOM 314 O ARG A 20 13.317 10.210 -10.716 1.00 0.00 O ATOM 315 CB ARG A 20 12.818 11.599 -13.581 1.00 0.00 C ATOM 316 CG ARG A 20 12.831 12.738 -12.574 1.00 0.00 C ATOM 317 CD ARG A 20 14.215 13.142 -12.218 1.00 0.00 C ATOM 318 NE ARG A 20 14.232 14.239 -11.264 1.00 0.00 N ATOM 319 CZ ARG A 20 15.312 14.617 -10.552 1.00 0.00 C ATOM 320 NH1 ARG A 20 16.451 13.978 -10.697 1.00 0.00 N ATOM 321 NH2 ARG A 20 15.225 15.630 -9.707 1.00 0.00 N ATOM 322 H ARG A 20 12.752 9.407 -14.898 1.00 0.00 H ATOM 323 HA ARG A 20 14.542 10.528 -12.924 1.00 0.00 H ATOM 324 1HB ARG A 20 13.310 11.954 -14.485 1.00 0.00 H ATOM 325 2HB ARG A 20 11.778 11.394 -13.833 1.00 0.00 H ATOM 326 1HG ARG A 20 12.319 13.603 -12.996 1.00 0.00 H ATOM 327 2HG ARG A 20 12.320 12.424 -11.662 1.00 0.00 H ATOM 328 1HD ARG A 20 14.738 12.296 -11.774 1.00 0.00 H ATOM 329 2HD ARG A 20 14.742 13.463 -13.116 1.00 0.00 H ATOM 330 HE ARG A 20 13.373 14.755 -11.125 1.00 0.00 H ATOM 331 1HH1 ARG A 20 16.518 13.203 -11.342 1.00 0.00 H ATOM 332 2HH1 ARG A 20 17.260 14.261 -10.163 1.00 0.00 H ATOM 333 1HH2 ARG A 20 14.349 16.121 -9.596 1.00 0.00 H ATOM 334 2HH2 ARG A 20 16.033 15.913 -9.174 1.00 0.00 H ATOM 335 N VAL A 21 11.770 9.096 -11.911 1.00 0.00 N ATOM 336 CA VAL A 21 11.126 8.506 -10.743 1.00 0.00 C ATOM 337 C VAL A 21 12.122 7.710 -9.909 1.00 0.00 C ATOM 338 O VAL A 21 12.150 7.824 -8.684 1.00 0.00 O ATOM 339 CB VAL A 21 9.972 7.584 -11.178 1.00 0.00 C ATOM 340 CG1 VAL A 21 9.465 6.772 -9.996 1.00 0.00 C ATOM 341 CG2 VAL A 21 8.849 8.411 -11.785 1.00 0.00 C ATOM 342 H VAL A 21 11.388 8.914 -12.828 1.00 0.00 H ATOM 343 HA VAL A 21 10.720 9.311 -10.129 1.00 0.00 H ATOM 344 HB VAL A 21 10.344 6.876 -11.919 1.00 0.00 H ATOM 345 1HG1 VAL A 21 8.650 6.125 -10.321 1.00 0.00 H ATOM 346 2HG1 VAL A 21 10.276 6.160 -9.600 1.00 0.00 H ATOM 347 3HG1 VAL A 21 9.105 7.445 -9.219 1.00 0.00 H ATOM 348 1HG2 VAL A 21 8.036 7.753 -12.091 1.00 0.00 H ATOM 349 2HG2 VAL A 21 8.481 9.123 -11.046 1.00 0.00 H ATOM 350 3HG2 VAL A 21 9.224 8.952 -12.654 1.00 0.00 H ATOM 351 N GLU A 22 12.937 6.904 -10.580 1.00 0.00 N ATOM 352 CA GLU A 22 13.974 6.130 -9.907 1.00 0.00 C ATOM 353 C GLU A 22 14.979 7.042 -9.215 1.00 0.00 C ATOM 354 O GLU A 22 15.403 6.773 -8.091 1.00 0.00 O ATOM 355 CB GLU A 22 14.696 5.224 -10.907 1.00 0.00 C ATOM 356 CG GLU A 22 13.855 4.068 -11.429 1.00 0.00 C ATOM 357 CD GLU A 22 14.597 3.201 -12.409 1.00 0.00 C ATOM 358 OE1 GLU A 22 15.729 3.502 -12.700 1.00 0.00 O ATOM 359 OE2 GLU A 22 14.029 2.237 -12.866 1.00 0.00 O ATOM 360 H GLU A 22 12.836 6.825 -11.582 1.00 0.00 H ATOM 361 HA GLU A 22 13.500 5.497 -9.156 1.00 0.00 H ATOM 362 1HB GLU A 22 15.022 5.815 -11.763 1.00 0.00 H ATOM 363 2HB GLU A 22 15.588 4.806 -10.440 1.00 0.00 H ATOM 364 1HG GLU A 22 13.538 3.454 -10.587 1.00 0.00 H ATOM 365 2HG GLU A 22 12.963 4.469 -11.908 1.00 0.00 H ATOM 366 N GLU A 23 15.357 8.120 -9.892 1.00 0.00 N ATOM 367 CA GLU A 23 16.280 9.096 -9.325 1.00 0.00 C ATOM 368 C GLU A 23 15.699 9.744 -8.076 1.00 0.00 C ATOM 369 O GLU A 23 16.392 9.914 -7.073 1.00 0.00 O ATOM 370 CB GLU A 23 16.620 10.172 -10.359 1.00 0.00 C ATOM 371 CG GLU A 23 17.469 9.681 -11.523 1.00 0.00 C ATOM 372 CD GLU A 23 17.707 10.741 -12.561 1.00 0.00 C ATOM 373 OE1 GLU A 23 17.169 11.813 -12.423 1.00 0.00 O ATOM 374 OE2 GLU A 23 18.430 10.479 -13.494 1.00 0.00 O ATOM 375 H GLU A 23 14.995 8.268 -10.823 1.00 0.00 H ATOM 376 HA GLU A 23 17.204 8.582 -9.056 1.00 0.00 H ATOM 377 1HB GLU A 23 15.698 10.587 -10.769 1.00 0.00 H ATOM 378 2HB GLU A 23 17.157 10.987 -9.873 1.00 0.00 H ATOM 379 1HG GLU A 23 18.430 9.341 -11.139 1.00 0.00 H ATOM 380 2HG GLU A 23 16.973 8.830 -11.987 1.00 0.00 H ATOM 381 N ILE A 24 14.422 10.105 -8.142 1.00 0.00 N ATOM 382 CA ILE A 24 13.745 10.737 -7.016 1.00 0.00 C ATOM 383 C ILE A 24 13.682 9.801 -5.815 1.00 0.00 C ATOM 384 O ILE A 24 14.038 10.182 -4.700 1.00 0.00 O ATOM 385 CB ILE A 24 12.320 11.170 -7.405 1.00 0.00 C ATOM 386 CG1 ILE A 24 12.368 12.308 -8.428 1.00 0.00 C ATOM 387 CG2 ILE A 24 11.536 11.592 -6.171 1.00 0.00 C ATOM 388 CD1 ILE A 24 11.039 12.591 -9.090 1.00 0.00 C ATOM 389 H ILE A 24 13.907 9.937 -8.994 1.00 0.00 H ATOM 390 HA ILE A 24 14.303 11.630 -6.734 1.00 0.00 H ATOM 391 HB ILE A 24 11.804 10.338 -7.884 1.00 0.00 H ATOM 392 1HG1 ILE A 24 12.708 13.221 -7.940 1.00 0.00 H ATOM 393 2HG1 ILE A 24 13.092 12.066 -9.207 1.00 0.00 H ATOM 394 1HG2 ILE A 24 10.532 11.896 -6.464 1.00 0.00 H ATOM 395 2HG2 ILE A 24 11.474 10.756 -5.477 1.00 0.00 H ATOM 396 3HG2 ILE A 24 12.042 12.428 -5.688 1.00 0.00 H ATOM 397 1HD1 ILE A 24 11.154 13.409 -9.802 1.00 0.00 H ATOM 398 2HD1 ILE A 24 10.697 11.699 -9.615 1.00 0.00 H ATOM 399 3HD1 ILE A 24 10.308 12.870 -8.333 1.00 0.00 H ATOM 400 N LEU A 25 13.227 8.575 -6.050 1.00 0.00 N ATOM 401 CA LEU A 25 13.064 7.600 -4.979 1.00 0.00 C ATOM 402 C LEU A 25 14.410 7.200 -4.389 1.00 0.00 C ATOM 403 O LEU A 25 14.526 6.962 -3.187 1.00 0.00 O ATOM 404 CB LEU A 25 12.338 6.354 -5.502 1.00 0.00 C ATOM 405 CG LEU A 25 10.875 6.561 -5.914 1.00 0.00 C ATOM 406 CD1 LEU A 25 10.371 5.321 -6.642 1.00 0.00 C ATOM 407 CD2 LEU A 25 10.035 6.849 -4.679 1.00 0.00 C ATOM 408 H LEU A 25 12.987 8.312 -6.996 1.00 0.00 H ATOM 409 HA LEU A 25 12.457 8.048 -4.192 1.00 0.00 H ATOM 410 1HB LEU A 25 12.876 5.977 -6.370 1.00 0.00 H ATOM 411 2HB LEU A 25 12.358 5.588 -4.727 1.00 0.00 H ATOM 412 HG LEU A 25 10.806 7.403 -6.604 1.00 0.00 H ATOM 413 1HD1 LEU A 25 9.332 5.469 -6.935 1.00 0.00 H ATOM 414 2HD1 LEU A 25 10.978 5.150 -7.531 1.00 0.00 H ATOM 415 3HD1 LEU A 25 10.443 4.458 -5.981 1.00 0.00 H ATOM 416 1HD2 LEU A 25 8.995 6.996 -4.972 1.00 0.00 H ATOM 417 2HD2 LEU A 25 10.101 6.007 -3.989 1.00 0.00 H ATOM 418 3HD2 LEU A 25 10.405 7.749 -4.189 1.00 0.00 H ATOM 419 N LYS A 26 15.426 7.128 -5.242 1.00 0.00 N ATOM 420 CA LYS A 26 16.791 6.887 -4.789 1.00 0.00 C ATOM 421 C LYS A 26 17.255 7.978 -3.833 1.00 0.00 C ATOM 422 O LYS A 26 17.810 7.693 -2.772 1.00 0.00 O ATOM 423 CB LYS A 26 17.743 6.795 -5.983 1.00 0.00 C ATOM 424 CG LYS A 26 19.193 6.516 -5.611 1.00 0.00 C ATOM 425 CD LYS A 26 20.066 6.381 -6.850 1.00 0.00 C ATOM 426 CE LYS A 26 21.521 6.136 -6.479 1.00 0.00 C ATOM 427 NZ LYS A 26 22.387 6.003 -7.682 1.00 0.00 N ATOM 428 H LYS A 26 15.249 7.243 -6.230 1.00 0.00 H ATOM 429 HA LYS A 26 16.819 5.930 -4.267 1.00 0.00 H ATOM 430 1HB LYS A 26 17.411 6.001 -6.653 1.00 0.00 H ATOM 431 2HB LYS A 26 17.716 7.729 -6.543 1.00 0.00 H ATOM 432 1HG LYS A 26 19.575 7.331 -4.995 1.00 0.00 H ATOM 433 2HG LYS A 26 19.250 5.592 -5.035 1.00 0.00 H ATOM 434 1HD LYS A 26 19.709 5.548 -7.457 1.00 0.00 H ATOM 435 2HD LYS A 26 20.000 7.294 -7.442 1.00 0.00 H ATOM 436 1HE LYS A 26 21.886 6.965 -5.874 1.00 0.00 H ATOM 437 2HE LYS A 26 21.598 5.223 -5.889 1.00 0.00 H ATOM 438 1HZ LYS A 26 23.342 5.842 -7.394 1.00 0.00 H ATOM 439 2HZ LYS A 26 22.069 5.225 -8.242 1.00 0.00 H ATOM 440 3HZ LYS A 26 22.339 6.852 -8.227 1.00 0.00 H ATOM 441 N ASN A 27 17.024 9.230 -4.215 1.00 0.00 N ATOM 442 CA ASN A 27 17.439 10.368 -3.403 1.00 0.00 C ATOM 443 C ASN A 27 16.661 10.424 -2.094 1.00 0.00 C ATOM 444 O ASN A 27 17.130 10.988 -1.106 1.00 0.00 O ATOM 445 CB ASN A 27 17.276 11.663 -4.176 1.00 0.00 C ATOM 446 CG ASN A 27 18.320 11.832 -5.246 1.00 0.00 C ATOM 447 OD1 ASN A 27 19.385 11.207 -5.196 1.00 0.00 O ATOM 448 ND2 ASN A 27 18.035 12.667 -6.213 1.00 0.00 N ATOM 449 H ASN A 27 16.548 9.398 -5.090 1.00 0.00 H ATOM 450 HA ASN A 27 18.500 10.261 -3.174 1.00 0.00 H ATOM 451 1HB ASN A 27 16.290 11.689 -4.640 1.00 0.00 H ATOM 452 2HB ASN A 27 17.337 12.507 -3.489 1.00 0.00 H ATOM 453 1HD2 ASN A 27 18.692 12.819 -6.952 1.00 0.00 H ATOM 454 2HD2 ASN A 27 17.161 13.152 -6.213 1.00 0.00 H ATOM 455 N ASN A 28 15.470 9.834 -2.094 1.00 0.00 N ATOM 456 CA ASN A 28 14.638 9.790 -0.898 1.00 0.00 C ATOM 457 C ASN A 28 14.866 8.503 -0.115 1.00 0.00 C ATOM 458 O ASN A 28 14.097 8.168 0.786 1.00 0.00 O ATOM 459 CB ASN A 28 13.172 9.940 -1.262 1.00 0.00 C ATOM 460 CG ASN A 28 12.834 11.326 -1.737 1.00 0.00 C ATOM 461 OD1 ASN A 28 13.429 12.312 -1.287 1.00 0.00 O ATOM 462 ND2 ASN A 28 11.890 11.420 -2.638 1.00 0.00 N ATOM 463 H ASN A 28 15.133 9.406 -2.944 1.00 0.00 H ATOM 464 HA ASN A 28 14.910 10.627 -0.256 1.00 0.00 H ATOM 465 1HB ASN A 28 12.916 9.227 -2.046 1.00 0.00 H ATOM 466 2HB ASN A 28 12.556 9.707 -0.393 1.00 0.00 H ATOM 467 1HD2 ASN A 28 11.623 12.318 -2.992 1.00 0.00 H ATOM 468 2HD2 ASN A 28 11.435 10.596 -2.974 1.00 0.00 H ATOM 469 N ASN A 29 15.928 7.785 -0.464 1.00 0.00 N ATOM 470 CA ASN A 29 16.333 6.602 0.286 1.00 0.00 C ATOM 471 C ASN A 29 15.255 5.527 0.241 1.00 0.00 C ATOM 472 O ASN A 29 14.956 4.892 1.253 1.00 0.00 O ATOM 473 CB ASN A 29 16.665 6.967 1.721 1.00 0.00 C ATOM 474 CG ASN A 29 17.827 7.915 1.822 1.00 0.00 C ATOM 475 OD1 ASN A 29 18.840 7.751 1.133 1.00 0.00 O ATOM 476 ND2 ASN A 29 17.701 8.905 2.669 1.00 0.00 N ATOM 477 H ASN A 29 16.469 8.066 -1.269 1.00 0.00 H ATOM 478 HA ASN A 29 17.226 6.184 -0.182 1.00 0.00 H ATOM 479 1HB ASN A 29 15.794 7.426 2.191 1.00 0.00 H ATOM 480 2HB ASN A 29 16.899 6.062 2.282 1.00 0.00 H ATOM 481 1HD2 ASN A 29 18.443 9.567 2.779 1.00 0.00 H ATOM 482 2HD2 ASN A 29 16.864 8.999 3.207 1.00 0.00 H ATOM 483 N ASN A 30 14.674 5.326 -0.937 1.00 0.00 N ATOM 484 CA ASN A 30 13.668 4.289 -1.128 1.00 0.00 C ATOM 485 C ASN A 30 14.068 3.334 -2.245 1.00 0.00 C ATOM 486 O ASN A 30 13.514 3.381 -3.344 1.00 0.00 O ATOM 487 CB ASN A 30 12.312 4.907 -1.414 1.00 0.00 C ATOM 488 CG ASN A 30 11.808 5.747 -0.273 1.00 0.00 C ATOM 489 OD1 ASN A 30 11.509 5.231 0.810 1.00 0.00 O ATOM 490 ND2 ASN A 30 11.708 7.033 -0.495 1.00 0.00 N ATOM 491 H ASN A 30 14.936 5.908 -1.719 1.00 0.00 H ATOM 492 HA ASN A 30 13.582 3.716 -0.205 1.00 0.00 H ATOM 493 1HB ASN A 30 12.375 5.528 -2.307 1.00 0.00 H ATOM 494 2HB ASN A 30 11.587 4.117 -1.615 1.00 0.00 H ATOM 495 1HD2 ASN A 30 11.378 7.641 0.228 1.00 0.00 H ATOM 496 2HD2 ASN A 30 11.961 7.407 -1.387 1.00 0.00 H ATOM 497 N GLU A 31 15.033 2.467 -1.959 1.00 0.00 N ATOM 498 CA GLU A 31 15.585 1.573 -2.970 1.00 0.00 C ATOM 499 C GLU A 31 14.563 0.529 -3.399 1.00 0.00 C ATOM 500 O GLU A 31 14.504 0.148 -4.569 1.00 0.00 O ATOM 501 CB GLU A 31 16.844 0.882 -2.440 1.00 0.00 C ATOM 502 CG GLU A 31 18.030 1.811 -2.229 1.00 0.00 C ATOM 503 CD GLU A 31 18.489 2.472 -3.499 1.00 0.00 C ATOM 504 OE1 GLU A 31 18.506 1.818 -4.514 1.00 0.00 O ATOM 505 OE2 GLU A 31 18.824 3.632 -3.454 1.00 0.00 O ATOM 506 H GLU A 31 15.393 2.426 -1.016 1.00 0.00 H ATOM 507 HA GLU A 31 15.866 2.167 -3.840 1.00 0.00 H ATOM 508 1HB GLU A 31 16.622 0.401 -1.487 1.00 0.00 H ATOM 509 2HB GLU A 31 17.150 0.101 -3.136 1.00 0.00 H ATOM 510 1HG GLU A 31 17.751 2.583 -1.512 1.00 0.00 H ATOM 511 2HG GLU A 31 18.855 1.241 -1.804 1.00 0.00 H ATOM 512 N ARG A 32 13.759 0.068 -2.447 1.00 0.00 N ATOM 513 CA ARG A 32 12.714 -0.907 -2.733 1.00 0.00 C ATOM 514 C ARG A 32 11.653 -0.322 -3.656 1.00 0.00 C ATOM 515 O ARG A 32 11.213 -0.974 -4.603 1.00 0.00 O ATOM 516 CB ARG A 32 12.056 -1.379 -1.444 1.00 0.00 C ATOM 517 CG ARG A 32 12.930 -2.258 -0.565 1.00 0.00 C ATOM 518 CD ARG A 32 12.144 -2.912 0.513 1.00 0.00 C ATOM 519 NE ARG A 32 11.509 -1.939 1.387 1.00 0.00 N ATOM 520 CZ ARG A 32 12.073 -1.427 2.499 1.00 0.00 C ATOM 521 NH1 ARG A 32 13.280 -1.804 2.857 1.00 0.00 N ATOM 522 NH2 ARG A 32 11.411 -0.545 3.229 1.00 0.00 N ATOM 523 H ARG A 32 13.876 0.402 -1.501 1.00 0.00 H ATOM 524 HA ARG A 32 13.168 -1.768 -3.223 1.00 0.00 H ATOM 525 1HB ARG A 32 11.755 -0.516 -0.852 1.00 0.00 H ATOM 526 2HB ARG A 32 11.154 -1.943 -1.682 1.00 0.00 H ATOM 527 1HG ARG A 32 13.392 -3.037 -1.173 1.00 0.00 H ATOM 528 2HG ARG A 32 13.708 -1.650 -0.101 1.00 0.00 H ATOM 529 1HD ARG A 32 11.365 -3.532 0.070 1.00 0.00 H ATOM 530 2HD ARG A 32 12.803 -3.534 1.117 1.00 0.00 H ATOM 531 HE ARG A 32 10.579 -1.625 1.144 1.00 0.00 H ATOM 532 1HH1 ARG A 32 13.785 -2.477 2.299 1.00 0.00 H ATOM 533 2HH1 ARG A 32 13.702 -1.420 3.690 1.00 0.00 H ATOM 534 1HH2 ARG A 32 10.483 -0.255 2.953 1.00 0.00 H ATOM 535 2HH2 ARG A 32 11.833 -0.162 4.061 1.00 0.00 H ATOM 536 N ALA A 33 11.245 0.911 -3.375 1.00 0.00 N ATOM 537 CA ALA A 33 10.281 1.610 -4.217 1.00 0.00 C ATOM 538 C ALA A 33 10.852 1.873 -5.604 1.00 0.00 C ATOM 539 O ALA A 33 10.138 1.795 -6.604 1.00 0.00 O ATOM 540 CB ALA A 33 9.856 2.916 -3.563 1.00 0.00 C ATOM 541 H ALA A 33 11.611 1.375 -2.556 1.00 0.00 H ATOM 542 HA ALA A 33 9.392 0.986 -4.316 1.00 0.00 H ATOM 543 1HB ALA A 33 9.137 3.427 -4.203 1.00 0.00 H ATOM 544 2HB ALA A 33 9.397 2.707 -2.596 1.00 0.00 H ATOM 545 3HB ALA A 33 10.729 3.552 -3.419 1.00 0.00 H ATOM 546 N ARG A 34 12.142 2.185 -5.659 1.00 0.00 N ATOM 547 CA ARG A 34 12.826 2.397 -6.929 1.00 0.00 C ATOM 548 C ARG A 34 12.748 1.158 -7.810 1.00 0.00 C ATOM 549 O ARG A 34 12.472 1.251 -9.006 1.00 0.00 O ATOM 550 CB ARG A 34 14.286 2.760 -6.697 1.00 0.00 C ATOM 551 CG ARG A 34 15.099 2.978 -7.962 1.00 0.00 C ATOM 552 CD ARG A 34 16.542 3.167 -7.662 1.00 0.00 C ATOM 553 NE ARG A 34 17.080 2.069 -6.875 1.00 0.00 N ATOM 554 CZ ARG A 34 17.221 0.805 -7.321 1.00 0.00 C ATOM 555 NH1 ARG A 34 16.860 0.496 -8.547 1.00 0.00 N ATOM 556 NH2 ARG A 34 17.722 -0.124 -6.526 1.00 0.00 N ATOM 557 H ARG A 34 12.662 2.278 -4.798 1.00 0.00 H ATOM 558 HA ARG A 34 12.343 3.226 -7.447 1.00 0.00 H ATOM 559 1HB ARG A 34 14.344 3.672 -6.106 1.00 0.00 H ATOM 560 2HB ARG A 34 14.771 1.968 -6.125 1.00 0.00 H ATOM 561 1HG ARG A 34 14.995 2.112 -8.616 1.00 0.00 H ATOM 562 2HG ARG A 34 14.737 3.868 -8.479 1.00 0.00 H ATOM 563 1HD ARG A 34 17.103 3.225 -8.594 1.00 0.00 H ATOM 564 2HD ARG A 34 16.678 4.089 -7.099 1.00 0.00 H ATOM 565 HE ARG A 34 17.369 2.267 -5.926 1.00 0.00 H ATOM 566 1HH1 ARG A 34 16.477 1.207 -9.155 1.00 0.00 H ATOM 567 2HH1 ARG A 34 16.966 -0.451 -8.881 1.00 0.00 H ATOM 568 1HH2 ARG A 34 18.000 0.113 -5.583 1.00 0.00 H ATOM 569 2HH2 ARG A 34 17.828 -1.070 -6.860 1.00 0.00 H ATOM 570 N GLU A 35 12.992 -0.004 -7.213 1.00 0.00 N ATOM 571 CA GLU A 35 12.899 -1.269 -7.930 1.00 0.00 C ATOM 572 C GLU A 35 11.469 -1.549 -8.372 1.00 0.00 C ATOM 573 O GLU A 35 11.236 -2.068 -9.464 1.00 0.00 O ATOM 574 CB GLU A 35 13.406 -2.418 -7.055 1.00 0.00 C ATOM 575 CG GLU A 35 14.918 -2.453 -6.877 1.00 0.00 C ATOM 576 CD GLU A 35 15.651 -2.732 -8.160 1.00 0.00 C ATOM 577 OE1 GLU A 35 15.103 -3.403 -9.001 1.00 0.00 O ATOM 578 OE2 GLU A 35 16.761 -2.274 -8.298 1.00 0.00 O ATOM 579 H GLU A 35 13.248 -0.010 -6.236 1.00 0.00 H ATOM 580 HA GLU A 35 13.534 -1.212 -8.816 1.00 0.00 H ATOM 581 1HB GLU A 35 12.955 -2.347 -6.065 1.00 0.00 H ATOM 582 2HB GLU A 35 13.099 -3.369 -7.489 1.00 0.00 H ATOM 583 1HG GLU A 35 15.249 -1.492 -6.484 1.00 0.00 H ATOM 584 2HG GLU A 35 15.169 -3.219 -6.146 1.00 0.00 H ATOM 585 N LYS A 36 10.512 -1.201 -7.518 1.00 0.00 N ATOM 586 CA LYS A 36 9.100 -1.325 -7.857 1.00 0.00 C ATOM 587 C LYS A 36 8.720 -0.379 -8.989 1.00 0.00 C ATOM 588 O LYS A 36 7.904 -0.717 -9.846 1.00 0.00 O ATOM 589 CB LYS A 36 8.228 -1.054 -6.630 1.00 0.00 C ATOM 590 CG LYS A 36 8.249 -2.163 -5.587 1.00 0.00 C ATOM 591 CD LYS A 36 7.442 -1.779 -4.355 1.00 0.00 C ATOM 592 CE LYS A 36 7.360 -2.931 -3.364 1.00 0.00 C ATOM 593 NZ LYS A 36 6.711 -2.522 -2.089 1.00 0.00 N ATOM 594 H LYS A 36 10.771 -0.841 -6.610 1.00 0.00 H ATOM 595 HA LYS A 36 8.910 -2.350 -8.179 1.00 0.00 H ATOM 596 1HB LYS A 36 8.557 -0.134 -6.146 1.00 0.00 H ATOM 597 2HB LYS A 36 7.194 -0.908 -6.943 1.00 0.00 H ATOM 598 1HG LYS A 36 7.829 -3.074 -6.016 1.00 0.00 H ATOM 599 2HG LYS A 36 9.277 -2.364 -5.289 1.00 0.00 H ATOM 600 1HD LYS A 36 7.909 -0.923 -3.867 1.00 0.00 H ATOM 601 2HD LYS A 36 6.432 -1.498 -4.655 1.00 0.00 H ATOM 602 1HE LYS A 36 6.789 -3.748 -3.803 1.00 0.00 H ATOM 603 2HE LYS A 36 8.364 -3.295 -3.146 1.00 0.00 H ATOM 604 1HZ LYS A 36 6.676 -3.312 -1.460 1.00 0.00 H ATOM 605 2HZ LYS A 36 7.243 -1.776 -1.663 1.00 0.00 H ATOM 606 3HZ LYS A 36 5.772 -2.201 -2.276 1.00 0.00 H ATOM 607 N ALA A 37 9.316 0.809 -8.986 1.00 0.00 N ATOM 608 CA ALA A 37 9.100 1.777 -10.054 1.00 0.00 C ATOM 609 C ALA A 37 9.652 1.268 -11.379 1.00 0.00 C ATOM 610 O ALA A 37 9.048 1.468 -12.433 1.00 0.00 O ATOM 611 CB ALA A 37 9.734 3.113 -9.694 1.00 0.00 C ATOM 612 H ALA A 37 9.935 1.046 -8.224 1.00 0.00 H ATOM 613 HA ALA A 37 8.027 1.940 -10.162 1.00 0.00 H ATOM 614 1HB ALA A 37 9.564 3.825 -10.502 1.00 0.00 H ATOM 615 2HB ALA A 37 9.287 3.492 -8.775 1.00 0.00 H ATOM 616 3HB ALA A 37 10.805 2.979 -9.548 1.00 0.00 H ATOM 617 N ARG A 38 10.804 0.609 -11.320 1.00 0.00 N ATOM 618 CA ARG A 38 11.371 -0.050 -12.490 1.00 0.00 C ATOM 619 C ARG A 38 10.418 -1.098 -13.048 1.00 0.00 C ATOM 620 O ARG A 38 10.202 -1.175 -14.258 1.00 0.00 O ATOM 621 CB ARG A 38 12.699 -0.708 -12.144 1.00 0.00 C ATOM 622 CG ARG A 38 13.375 -1.430 -13.299 1.00 0.00 C ATOM 623 CD ARG A 38 14.667 -2.035 -12.886 1.00 0.00 C ATOM 624 NE ARG A 38 14.492 -3.029 -11.840 1.00 0.00 N ATOM 625 CZ ARG A 38 14.012 -4.272 -12.038 1.00 0.00 C ATOM 626 NH1 ARG A 38 13.665 -4.658 -13.246 1.00 0.00 N ATOM 627 NH2 ARG A 38 13.890 -5.104 -11.018 1.00 0.00 N ATOM 628 H ARG A 38 11.300 0.563 -10.441 1.00 0.00 H ATOM 629 HA ARG A 38 11.551 0.704 -13.259 1.00 0.00 H ATOM 630 1HB ARG A 38 13.393 0.045 -11.775 1.00 0.00 H ATOM 631 2HB ARG A 38 12.547 -1.434 -11.345 1.00 0.00 H ATOM 632 1HG ARG A 38 12.724 -2.226 -13.661 1.00 0.00 H ATOM 633 2HG ARG A 38 13.569 -0.724 -14.106 1.00 0.00 H ATOM 634 1HD ARG A 38 15.131 -2.521 -13.744 1.00 0.00 H ATOM 635 2HD ARG A 38 15.329 -1.256 -12.509 1.00 0.00 H ATOM 636 HE ARG A 38 14.748 -2.769 -10.897 1.00 0.00 H ATOM 637 1HH1 ARG A 38 13.758 -4.022 -14.026 1.00 0.00 H ATOM 638 2HH1 ARG A 38 13.305 -5.590 -13.395 1.00 0.00 H ATOM 639 1HH2 ARG A 38 14.157 -4.807 -10.089 1.00 0.00 H ATOM 640 2HH2 ARG A 38 13.530 -6.035 -11.167 1.00 0.00 H ATOM 641 N LYS A 39 9.848 -1.905 -12.159 1.00 0.00 N ATOM 642 CA LYS A 39 8.855 -2.898 -12.552 1.00 0.00 C ATOM 643 C LYS A 39 7.639 -2.239 -13.189 1.00 0.00 C ATOM 644 O LYS A 39 7.097 -2.737 -14.176 1.00 0.00 O ATOM 645 CB LYS A 39 8.428 -3.734 -11.344 1.00 0.00 C ATOM 646 CG LYS A 39 9.499 -4.686 -10.827 1.00 0.00 C ATOM 647 CD LYS A 39 9.014 -5.451 -9.605 1.00 0.00 C ATOM 648 CE LYS A 39 10.088 -6.392 -9.078 1.00 0.00 C ATOM 649 NZ LYS A 39 9.633 -7.137 -7.873 1.00 0.00 N ATOM 650 H LYS A 39 10.110 -1.829 -11.187 1.00 0.00 H ATOM 651 HA LYS A 39 9.309 -3.573 -13.279 1.00 0.00 H ATOM 652 1HB LYS A 39 8.145 -3.073 -10.525 1.00 0.00 H ATOM 653 2HB LYS A 39 7.551 -4.327 -11.604 1.00 0.00 H ATOM 654 1HG LYS A 39 9.762 -5.398 -11.610 1.00 0.00 H ATOM 655 2HG LYS A 39 10.391 -4.120 -10.561 1.00 0.00 H ATOM 656 1HD LYS A 39 8.742 -4.746 -8.818 1.00 0.00 H ATOM 657 2HD LYS A 39 8.131 -6.034 -9.867 1.00 0.00 H ATOM 658 1HE LYS A 39 10.356 -7.108 -9.854 1.00 0.00 H ATOM 659 2HE LYS A 39 10.979 -5.819 -8.820 1.00 0.00 H ATOM 660 1HZ LYS A 39 10.372 -7.748 -7.556 1.00 0.00 H ATOM 661 2HZ LYS A 39 9.399 -6.482 -7.140 1.00 0.00 H ATOM 662 3HZ LYS A 39 8.818 -7.687 -8.105 1.00 0.00 H ATOM 663 N ALA A 40 7.215 -1.116 -12.620 1.00 0.00 N ATOM 664 CA ALA A 40 6.092 -0.360 -13.161 1.00 0.00 C ATOM 665 C ALA A 40 6.398 0.156 -14.561 1.00 0.00 C ATOM 666 O ALA A 40 5.532 0.157 -15.436 1.00 0.00 O ATOM 667 CB ALA A 40 5.737 0.796 -12.237 1.00 0.00 C ATOM 668 H ALA A 40 7.683 -0.777 -11.792 1.00 0.00 H ATOM 669 HA ALA A 40 5.224 -1.019 -13.213 1.00 0.00 H ATOM 670 1HB ALA A 40 4.897 1.351 -12.654 1.00 0.00 H ATOM 671 2HB ALA A 40 5.464 0.407 -11.256 1.00 0.00 H ATOM 672 3HB ALA A 40 6.595 1.459 -12.138 1.00 0.00 H ATOM 673 N LYS A 41 7.635 0.595 -14.767 1.00 0.00 N ATOM 674 CA LYS A 41 8.098 0.987 -16.093 1.00 0.00 C ATOM 675 C LYS A 41 8.001 -0.173 -17.075 1.00 0.00 C ATOM 676 O LYS A 41 7.539 -0.006 -18.204 1.00 0.00 O ATOM 677 CB LYS A 41 9.537 1.502 -16.027 1.00 0.00 C ATOM 678 CG LYS A 41 10.109 1.945 -17.367 1.00 0.00 C ATOM 679 CD LYS A 41 11.558 2.387 -17.231 1.00 0.00 C ATOM 680 CE LYS A 41 12.163 2.727 -18.585 1.00 0.00 C ATOM 681 NZ LYS A 41 13.615 3.039 -18.483 1.00 0.00 N ATOM 682 H LYS A 41 8.271 0.658 -13.985 1.00 0.00 H ATOM 683 HA LYS A 41 7.470 1.803 -16.452 1.00 0.00 H ATOM 684 1HB LYS A 41 9.589 2.350 -15.344 1.00 0.00 H ATOM 685 2HB LYS A 41 10.185 0.721 -15.629 1.00 0.00 H ATOM 686 1HG LYS A 41 10.055 1.118 -18.077 1.00 0.00 H ATOM 687 2HG LYS A 41 9.519 2.774 -17.758 1.00 0.00 H ATOM 688 1HD LYS A 41 11.611 3.267 -16.588 1.00 0.00 H ATOM 689 2HD LYS A 41 12.141 1.588 -16.773 1.00 0.00 H ATOM 690 1HE LYS A 41 12.032 1.885 -19.263 1.00 0.00 H ATOM 691 2HE LYS A 41 11.648 3.589 -19.008 1.00 0.00 H ATOM 692 1HZ LYS A 41 13.978 3.258 -19.400 1.00 0.00 H ATOM 693 2HZ LYS A 41 13.747 3.831 -17.870 1.00 0.00 H ATOM 694 3HZ LYS A 41 14.106 2.240 -18.110 1.00 0.00 H ATOM 695 N GLU A 42 8.441 -1.349 -16.640 1.00 0.00 N ATOM 696 CA GLU A 42 8.429 -2.534 -17.490 1.00 0.00 C ATOM 697 C GLU A 42 7.004 -2.969 -17.807 1.00 0.00 C ATOM 698 O GLU A 42 6.721 -3.444 -18.907 1.00 0.00 O ATOM 699 CB GLU A 42 9.185 -3.681 -16.816 1.00 0.00 C ATOM 700 CG GLU A 42 10.687 -3.464 -16.704 1.00 0.00 C ATOM 701 CD GLU A 42 11.380 -4.554 -15.935 1.00 0.00 C ATOM 702 OE1 GLU A 42 10.704 -5.399 -15.399 1.00 0.00 O ATOM 703 OE2 GLU A 42 12.588 -4.542 -15.884 1.00 0.00 O ATOM 704 H GLU A 42 8.792 -1.424 -15.696 1.00 0.00 H ATOM 705 HA GLU A 42 8.938 -2.295 -18.424 1.00 0.00 H ATOM 706 1HB GLU A 42 8.793 -3.834 -15.810 1.00 0.00 H ATOM 707 2HB GLU A 42 9.021 -4.603 -17.374 1.00 0.00 H ATOM 708 1HG GLU A 42 11.113 -3.415 -17.706 1.00 0.00 H ATOM 709 2HG GLU A 42 10.870 -2.508 -16.214 1.00 0.00 H ATOM 710 N ASN A 43 6.111 -2.805 -16.838 1.00 0.00 N ATOM 711 CA ASN A 43 4.710 -3.170 -17.017 1.00 0.00 C ATOM 712 C ASN A 43 4.001 -2.194 -17.946 1.00 0.00 C ATOM 713 O ASN A 43 4.354 -1.016 -18.012 1.00 0.00 O ATOM 714 OXT ASN A 43 3.086 -2.569 -18.626 1.00 0.00 O ATOM 715 CB ASN A 43 4.002 -3.242 -15.677 1.00 0.00 C ATOM 716 CG ASN A 43 4.479 -4.391 -14.832 1.00 0.00 C ATOM 717 OD1 ASN A 43 4.890 -5.433 -15.355 1.00 0.00 O ATOM 718 ND2 ASN A 43 4.432 -4.221 -13.535 1.00 0.00 N ATOM 719 H ASN A 43 6.409 -2.418 -15.954 1.00 0.00 H ATOM 720 HA ASN A 43 4.666 -4.154 -17.487 1.00 0.00 H ATOM 721 1HB ASN A 43 4.162 -2.312 -15.130 1.00 0.00 H ATOM 722 2HB ASN A 43 2.929 -3.346 -15.838 1.00 0.00 H ATOM 723 1HD2 ASN A 43 4.737 -4.952 -12.924 1.00 0.00 H ATOM 724 2HD2 ASN A 43 4.092 -3.361 -13.156 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE nods_bigger.blueprint.43_try125_pass_20150323105641_0001_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 rama omega fa_dun p_aa_pp ref total weights 0.8 0.44 0.75 0.004 0.7 1 1.17 1.17 1.17 1.1 1 0.2 0.5 0.56 0.32 1 NA pose -180.659 16.2361 112.355 0.30658 -26.8941 0 -23.9781 -1.69728 -0.67622 -8.41698 0 -7.15775 3.34543 51.5745 -5.70032 -20.0617 -91.424 ASP:NtermProteinFull_1 -3.31565 0.25646 3.17418 0.01408 -1.33526 0 0 0 -0.08793 -0.38415 0 0 0.04046 1.4538 0 -1.28682 -1.47083 ASP_2 -2.27973 0.17148 1.55735 0.00338 0.01248 0 0 0 0 0 0 -0.15971 0.00712 1.28369 0.01279 -1.28682 -0.67797 GLU_3 -5.31891 0.46391 4.4647 0.00459 -2.08873 0 0 0 -0.08793 -0.68586 0 -0.25073 0.21032 2.10021 -0.16339 -1.55374 -2.90557 GLN_4 -4.39676 0.38359 2.79208 0.0073 -0.17708 0 0 0 0 0 0 -0.18448 0.09045 1.96245 -0.1425 -1.17797 -0.84292 GLU_5 -4.1352 0.27581 2.91871 0.00511 -1.14527 0 0 0 0 -0.30022 0 -0.26156 0.2777 2.39301 -0.1507 -1.55374 -1.67636 LYS_6 -4.52294 0.36203 2.80395 0.00314 -0.6243 0 0 0 0 -0.3917 0 -0.19757 0.09932 1.00597 -0.04846 -0.28737 -1.79793 ILE_7 -6.01163 0.69866 2.31739 0.02069 -0.24149 0 0 0 0 0 0 -0.02864 0.00507 0.08235 -0.06356 0.8318 -2.38936 LYS_8 -4.49527 0.39449 3.0309 0.0031 -1.16479 0 0 0 0 -0.30022 0 -0.12287 0.0384 0.94427 -0.03806 -0.28737 -1.99743 GLU_9 -3.98856 0.32478 2.69669 0.00733 -0.98157 0 0 0 0 -0.52202 0 -0.10773 0.00052 2.2656 -0.10962 -1.55374 -1.96833 ALA_10 -4.51814 0.34502 1.69105 0.00075 -0.31737 0 0 0 0 0 0 -0.20299 0.03012 0 -0.20137 0.59294 -2.57997 LYS_11 -4.6134 0.48887 2.37288 0.00506 -0.29965 0 0 0 0 0 0 -0.18652 0.06358 0.95401 -0.04655 -0.28737 -1.5491 LYS_12 -2.89003 0.20467 1.69355 0.00311 0.03825 0 0 0 0 0 0 -0.22521 0.05687 0.7737 -0.0444 -0.28737 -0.67686 ARG_13 -3.57493 0.23246 2.13772 0.00961 -0.78569 0 0 0 0 -0.52202 0 -0.22171 0.04359 1.55719 -0.10594 -0.14916 -1.37886 ALA_14 -4.02818 0.77477 1.79888 0.00093 -0.34352 0 0 0 0 0 0 -0.1711 0.00992 0 -0.0004 0.59294 -1.36575 ASN_15 -2.17932 0.4529 1.58121 0.00451 -0.02457 0 0 0 0 0 0 -0.33354 0.13362 1.27771 -0.53041 -0.94198 -0.55986 GLY_16 -1.68454 0.21242 0.97744 0 -0.03989 0 0 0 0 0 0 -0.37739 0 0 -0.80057 0.14053 -1.57201 ASN_17 -4.07295 0.59697 2.62686 0.01649 -0.56661 0 0 0 -0.25017 0 0 -0.02057 0.54984 1.44171 -0.27668 -0.94198 -0.89709 TRP_18 -6.71115 0.52478 2.54241 0.0217 0.11131 0 0 0 0 0 0 -0.20829 0.05025 1.44801 0.04605 0.92933 -1.2456 ASP_19 -3.22596 0.27759 2.79555 0.00332 -1.05083 0 0 0 0 -0.26155 0 -0.1247 0.04969 1.29936 0.04273 -1.28682 -1.48163 ARG_20 -5.54009 0.55931 3.42886 0.01464 -0.99233 0 0 0 -0.25017 -0.30835 0 -0.19968 0.132 1.902 -0.10554 -0.14916 -1.50851 VAL_21 -5.96399 0.9032 2.06785 0.01676 -0.27793 0 0 0 0 0 0 0.06417 0.03493 0.03295 0.05038 0.74484 -2.32684 GLU_22 -4.66607 0.36152 2.92754 0.00447 -0.51854 0 0 0 0 0 0 -0.21554 0.02061 2.16754 -0.10544 -1.55374 -1.57765 GLU_23 -4.43066 0.28508 3.18088 0.00458 -0.7744 0 0 0 0 -0.30835 0 -0.20078 2e-05 2.15825 -0.10641 -1.55374 -1.74553 ILE_24 -5.57061 0.31778 2.58127 0.01979 -0.2439 0 0 0 0 0 0 0.01357 0.03369 0.0751 -0.14195 0.8318 -2.08346 LEU_25 -6.39664 0.40828 2.3281 0.00616 -0.37702 0 0 0 0 0 0 -0.13494 0.19129 0.21404 -0.12709 0.60233 -3.28549 LYS_26 -3.53653 0.4192 2.43278 0.00544 -0.27564 0 0 0 0 0 0 -0.13033 0.00596 0.83799 -0.03287 -0.28737 -0.56137 ASN_27 -2.76093 0.28385 1.92637 0.00369 -0.20913 0 0 0 0 0 0 -0.11019 0.00969 1.09117 0.01503 -0.94198 -0.69243 ASN_28 -3.52518 0.52809 2.61927 0.00412 -0.11454 0 0 0 0 0 0 -0.24932 0.17766 1.46377 -0.37329 -0.94198 -0.4114 ASN_29 -2.18755 0.40319 1.63985 0.0047 -0.2872 0 0 0 0 0 0 -0.28293 0.03429 1.32055 -0.52754 -0.94198 -0.82462 ASN_30 -4.7897 0.32953 3.59091 0.00425 -0.76807 0 0 0 0 -0.3917 0 0.04678 0.13064 1.55572 -0.26954 -0.94198 -1.50317 GLU_31 -3.47109 0.18385 3.072 0.00538 -1.00403 0 0 0 0 -0.46706 0 -0.24838 0.01399 2.38208 -0.15788 -1.55374 -1.24488 ARG_32 -3.23257 0.26221 2.52047 0.01145 -1.00679 0 0 0 0 -0.40485 0 -0.16601 0.04405 1.38201 -0.07241 -0.14916 -0.81159 ALA_33 -4.33314 0.41394 1.69014 0.00074 -0.06005 0 0 0 0 0 0 -0.21319 0.04525 0 -0.17337 0.59294 -2.03673 ARG_34 -6.87049 0.48613 4.83982 0.02335 -2.07725 0 0 0 0 -0.989 0 -0.12783 0.0295 2.11451 -0.09633 -0.14916 -2.81677 GLU_35 -5.13967 0.30848 4.11227 0.0056 -2.00812 0 0 0 0 -0.88758 0 -0.24939 0.10069 2.64952 -0.13216 -1.55374 -2.7941 LYS_36 -4.87467 0.39206 3.42652 0.00312 -1.89619 0 0 0 0 -0.66516 0 -0.24544 0.06459 0.929 -0.03577 -0.28737 -3.18932 ALA_37 -4.4613 0.32611 1.86872 0.00074 -0.28365 0 0 0 0 0 0 -0.19064 0.21128 0 -0.16533 0.59294 -2.10113 ARG_38 -5.41424 0.39475 4.53029 0.01549 -1.71421 0 0 0 0 -0.36563 0 -0.12171 0.07063 1.48947 -0.09595 -0.14916 -1.36027 LYS_39 -4.30013 0.27984 2.79807 0.00311 -0.14472 0 0 0 0 0 0 -0.19925 0.0265 0.81095 -0.04962 -0.28737 -1.06261 ALA_40 -3.71191 0.31105 1.83128 0.00074 0.11764 0 0 0 0 0 0 -0.19544 0.20205 0 -0.18775 0.59294 -1.03939 LYS_41 -4.11259 0.36839 2.55223 0.00606 -0.92941 0 0 0 0 -0.26155 0 -0.15445 0.00773 1.01869 -0.04157 -0.28737 -1.83386 GLU_42 -2.92972 0.1383 2.36352 0.00465 -0.38915 0 0 0 0 0 0 -0.26155 0.00153 2.10465 -0.14689 -1.55374 -0.66841 ASN:CtermProteinFull_43 -2.47615 0.13029 2.05222 0.00338 0.3651 0 0 0 0 0 0 0 0 1.63147 0 -0.94198 0.76432 #END_POSE_ENERGIES_TABLE nods_bigger.blueprint.43_try125_pass_20150323105641_0001_0001.pdb AlaCount 5 bb -0.0394623 buried_minus_exposed 3553.78 buried_np 4974.89 buried_over_exposed 3.50069 cavity_volume 0 contact_all 186 contact_core_SASA 186 contact_core_SCN 186 degree 10.5349 degree_core_SASA 10.5349 degree_core_SCN 10.5349 exposed_hydrophobics 1421.11 holes 1.47309 mismatch_probability 0.118883 one_core_each 0.333333 pack 0.684779 percent_core_SASA 0.0930016 percent_core_SCN 0.0930016 res_count_core_SASA 4 res_count_core_SCN 4 ss_sc 0.753169 two_core_each 0.333333 unsat_hbond 2
HHH_rd1_0949.pdb
ATOM 1 N SER A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA SER A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C SER A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O SER A 1 1.777 2.186 -0.936 1.00 0.00 O ATOM 5 CB SER A 1 1.980 -0.754 -1.207 1.00 0.00 C ATOM 6 OG SER A 1 3.369 -0.612 -1.326 1.00 0.00 O ATOM 7 1H SER A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 8 2H SER A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 9 3H SER A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 10 HA SER A 1 1.804 -0.506 0.902 1.00 0.00 H ATOM 11 1HB SER A 1 1.727 -1.810 -1.114 1.00 0.00 H ATOM 12 2HB SER A 1 1.495 -0.380 -2.108 1.00 0.00 H ATOM 13 HG SER A 1 3.732 -1.499 -1.267 1.00 0.00 H ATOM 14 N GLU A 2 2.739 1.766 1.055 1.00 0.00 N ATOM 15 CA GLU A 2 3.349 3.086 1.164 1.00 0.00 C ATOM 16 C GLU A 2 4.486 3.251 0.164 1.00 0.00 C ATOM 17 O GLU A 2 4.753 4.356 -0.309 1.00 0.00 O ATOM 18 CB GLU A 2 3.869 3.317 2.585 1.00 0.00 C ATOM 19 CG GLU A 2 2.781 3.413 3.645 1.00 0.00 C ATOM 20 CD GLU A 2 1.825 4.547 3.399 1.00 0.00 C ATOM 21 OE1 GLU A 2 2.277 5.648 3.199 1.00 0.00 O ATOM 22 OE2 GLU A 2 0.639 4.311 3.412 1.00 0.00 O ATOM 23 H GLU A 2 2.874 1.098 1.800 1.00 0.00 H ATOM 24 HA GLU A 2 2.588 3.838 0.956 1.00 0.00 H ATOM 25 1HB GLU A 2 4.537 2.502 2.865 1.00 0.00 H ATOM 26 2HB GLU A 2 4.448 4.240 2.615 1.00 0.00 H ATOM 27 1HG GLU A 2 2.221 2.479 3.662 1.00 0.00 H ATOM 28 2HG GLU A 2 3.248 3.543 4.620 1.00 0.00 H ATOM 29 N GLU A 3 5.154 2.147 -0.153 1.00 0.00 N ATOM 30 CA GLU A 3 6.224 2.157 -1.144 1.00 0.00 C ATOM 31 C GLU A 3 5.676 2.399 -2.544 1.00 0.00 C ATOM 32 O GLU A 3 6.317 3.053 -3.367 1.00 0.00 O ATOM 33 CB GLU A 3 6.995 0.835 -1.109 1.00 0.00 C ATOM 34 CG GLU A 3 7.787 0.603 0.170 1.00 0.00 C ATOM 35 CD GLU A 3 8.826 1.662 0.415 1.00 0.00 C ATOM 36 OE1 GLU A 3 9.570 1.958 -0.489 1.00 0.00 O ATOM 37 OE2 GLU A 3 8.875 2.176 1.507 1.00 0.00 O ATOM 38 H GLU A 3 4.914 1.279 0.303 1.00 0.00 H ATOM 39 HA GLU A 3 6.918 2.961 -0.896 1.00 0.00 H ATOM 40 1HB GLU A 3 6.299 0.005 -1.226 1.00 0.00 H ATOM 41 2HB GLU A 3 7.692 0.799 -1.946 1.00 0.00 H ATOM 42 1HG GLU A 3 7.098 0.585 1.014 1.00 0.00 H ATOM 43 2HG GLU A 3 8.274 -0.369 0.112 1.00 0.00 H ATOM 44 N LYS A 4 4.487 1.869 -2.809 1.00 0.00 N ATOM 45 CA LYS A 4 3.770 2.171 -4.042 1.00 0.00 C ATOM 46 C LYS A 4 3.439 3.655 -4.136 1.00 0.00 C ATOM 47 O LYS A 4 3.560 4.262 -5.201 1.00 0.00 O ATOM 48 CB LYS A 4 2.489 1.340 -4.135 1.00 0.00 C ATOM 49 CG LYS A 4 1.725 1.507 -5.442 1.00 0.00 C ATOM 50 CD LYS A 4 0.501 0.605 -5.484 1.00 0.00 C ATOM 51 CE LYS A 4 -0.253 0.755 -6.797 1.00 0.00 C ATOM 52 NZ LYS A 4 -1.472 -0.098 -6.841 1.00 0.00 N ATOM 53 H LYS A 4 4.069 1.239 -2.139 1.00 0.00 H ATOM 54 HA LYS A 4 4.404 1.900 -4.887 1.00 0.00 H ATOM 55 1HB LYS A 4 2.732 0.283 -4.022 1.00 0.00 H ATOM 56 2HB LYS A 4 1.819 1.611 -3.319 1.00 0.00 H ATOM 57 1HG LYS A 4 1.405 2.544 -5.547 1.00 0.00 H ATOM 58 2HG LYS A 4 2.377 1.260 -6.279 1.00 0.00 H ATOM 59 1HD LYS A 4 0.810 -0.435 -5.370 1.00 0.00 H ATOM 60 2HD LYS A 4 -0.168 0.859 -4.662 1.00 0.00 H ATOM 61 1HE LYS A 4 -0.548 1.795 -6.930 1.00 0.00 H ATOM 62 2HE LYS A 4 0.399 0.477 -7.625 1.00 0.00 H ATOM 63 1HZ LYS A 4 -1.942 0.030 -7.726 1.00 0.00 H ATOM 64 2HZ LYS A 4 -1.208 -1.068 -6.737 1.00 0.00 H ATOM 65 3HZ LYS A 4 -2.093 0.164 -6.089 1.00 0.00 H ATOM 66 N LYS A 5 3.021 4.236 -3.017 1.00 0.00 N ATOM 67 CA LYS A 5 2.754 5.667 -2.949 1.00 0.00 C ATOM 68 C LYS A 5 4.005 6.477 -3.268 1.00 0.00 C ATOM 69 O LYS A 5 3.937 7.498 -3.952 1.00 0.00 O ATOM 70 CB LYS A 5 2.219 6.048 -1.568 1.00 0.00 C ATOM 71 CG LYS A 5 0.816 5.534 -1.273 1.00 0.00 C ATOM 72 CD LYS A 5 0.377 5.901 0.136 1.00 0.00 C ATOM 73 CE LYS A 5 -0.987 5.312 0.464 1.00 0.00 C ATOM 74 NZ LYS A 5 -1.386 5.581 1.872 1.00 0.00 N ATOM 75 H LYS A 5 2.885 3.671 -2.191 1.00 0.00 H ATOM 76 HA LYS A 5 1.984 5.911 -3.682 1.00 0.00 H ATOM 77 1HB LYS A 5 2.886 5.659 -0.799 1.00 0.00 H ATOM 78 2HB LYS A 5 2.204 7.134 -1.470 1.00 0.00 H ATOM 79 1HG LYS A 5 0.113 5.965 -1.987 1.00 0.00 H ATOM 80 2HG LYS A 5 0.796 4.450 -1.380 1.00 0.00 H ATOM 81 1HD LYS A 5 1.108 5.526 0.854 1.00 0.00 H ATOM 82 2HD LYS A 5 0.326 6.986 0.230 1.00 0.00 H ATOM 83 1HE LYS A 5 -1.736 5.739 -0.202 1.00 0.00 H ATOM 84 2HE LYS A 5 -0.965 4.234 0.306 1.00 0.00 H ATOM 85 1HZ LYS A 5 -2.294 5.175 2.048 1.00 0.00 H ATOM 86 2HZ LYS A 5 -0.707 5.173 2.499 1.00 0.00 H ATOM 87 3HZ LYS A 5 -1.429 6.579 2.025 1.00 0.00 H ATOM 88 N LYS A 6 5.145 6.015 -2.767 1.00 0.00 N ATOM 89 CA LYS A 6 6.424 6.652 -3.059 1.00 0.00 C ATOM 90 C LYS A 6 6.730 6.614 -4.551 1.00 0.00 C ATOM 91 O LYS A 6 7.178 7.605 -5.128 1.00 0.00 O ATOM 92 CB LYS A 6 7.550 5.978 -2.274 1.00 0.00 C ATOM 93 CG LYS A 6 7.511 6.234 -0.773 1.00 0.00 C ATOM 94 CD LYS A 6 8.614 5.472 -0.054 1.00 0.00 C ATOM 95 CE LYS A 6 8.518 5.650 1.454 1.00 0.00 C ATOM 96 NZ LYS A 6 9.538 4.842 2.176 1.00 0.00 N ATOM 97 H LYS A 6 5.127 5.201 -2.169 1.00 0.00 H ATOM 98 HA LYS A 6 6.373 7.694 -2.739 1.00 0.00 H ATOM 99 1HB LYS A 6 7.509 4.900 -2.431 1.00 0.00 H ATOM 100 2HB LYS A 6 8.513 6.327 -2.648 1.00 0.00 H ATOM 101 1HG LYS A 6 7.634 7.301 -0.582 1.00 0.00 H ATOM 102 2HG LYS A 6 6.546 5.921 -0.376 1.00 0.00 H ATOM 103 1HD LYS A 6 8.538 4.410 -0.292 1.00 0.00 H ATOM 104 2HD LYS A 6 9.585 5.833 -0.391 1.00 0.00 H ATOM 105 1HE LYS A 6 8.659 6.700 1.706 1.00 0.00 H ATOM 106 2HE LYS A 6 7.527 5.348 1.794 1.00 0.00 H ATOM 107 1HZ LYS A 6 9.440 4.987 3.171 1.00 0.00 H ATOM 108 2HZ LYS A 6 9.404 3.863 1.965 1.00 0.00 H ATOM 109 3HZ LYS A 6 10.462 5.127 1.884 1.00 0.00 H ATOM 110 N ALA A 7 6.486 5.465 -5.171 1.00 0.00 N ATOM 111 CA ALA A 7 6.672 5.315 -6.609 1.00 0.00 C ATOM 112 C ALA A 7 5.721 6.218 -7.384 1.00 0.00 C ATOM 113 O ALA A 7 6.088 6.784 -8.414 1.00 0.00 O ATOM 114 CB ALA A 7 6.476 3.863 -7.021 1.00 0.00 C ATOM 115 H ALA A 7 6.164 4.674 -4.632 1.00 0.00 H ATOM 116 HA ALA A 7 7.697 5.593 -6.856 1.00 0.00 H ATOM 117 1HB ALA A 7 6.618 3.768 -8.097 1.00 0.00 H ATOM 118 2HB ALA A 7 7.202 3.237 -6.502 1.00 0.00 H ATOM 119 3HB ALA A 7 5.469 3.544 -6.758 1.00 0.00 H ATOM 120 N LYS A 8 4.497 6.349 -6.883 1.00 0.00 N ATOM 121 CA LYS A 8 3.516 7.245 -7.483 1.00 0.00 C ATOM 122 C LYS A 8 4.023 8.681 -7.508 1.00 0.00 C ATOM 123 O LYS A 8 3.944 9.359 -8.533 1.00 0.00 O ATOM 124 CB LYS A 8 2.189 7.169 -6.726 1.00 0.00 C ATOM 125 CG LYS A 8 1.079 8.030 -7.315 1.00 0.00 C ATOM 126 CD LYS A 8 -0.238 7.807 -6.587 1.00 0.00 C ATOM 127 CE LYS A 8 -1.376 8.565 -7.255 1.00 0.00 C ATOM 128 NZ LYS A 8 -1.359 10.012 -6.910 1.00 0.00 N ATOM 129 H LYS A 8 4.241 5.815 -6.065 1.00 0.00 H ATOM 130 HA LYS A 8 3.332 6.920 -8.508 1.00 0.00 H ATOM 131 1HB LYS A 8 1.838 6.137 -6.709 1.00 0.00 H ATOM 132 2HB LYS A 8 2.341 7.480 -5.692 1.00 0.00 H ATOM 133 1HG LYS A 8 1.354 9.082 -7.236 1.00 0.00 H ATOM 134 2HG LYS A 8 0.948 7.785 -8.368 1.00 0.00 H ATOM 135 1HD LYS A 8 -0.476 6.742 -6.581 1.00 0.00 H ATOM 136 2HD LYS A 8 -0.146 8.146 -5.555 1.00 0.00 H ATOM 137 1HE LYS A 8 -1.297 8.461 -8.336 1.00 0.00 H ATOM 138 2HE LYS A 8 -2.330 8.141 -6.941 1.00 0.00 H ATOM 139 1HZ LYS A 8 -2.128 10.478 -7.371 1.00 0.00 H ATOM 140 2HZ LYS A 8 -1.451 10.121 -5.909 1.00 0.00 H ATOM 141 3HZ LYS A 8 -0.487 10.421 -7.214 1.00 0.00 H ATOM 142 N GLU A 9 4.545 9.139 -6.376 1.00 0.00 N ATOM 143 CA GLU A 9 5.152 10.462 -6.291 1.00 0.00 C ATOM 144 C GLU A 9 6.276 10.617 -7.308 1.00 0.00 C ATOM 145 O GLU A 9 6.339 11.612 -8.031 1.00 0.00 O ATOM 146 CB GLU A 9 5.689 10.713 -4.881 1.00 0.00 C ATOM 147 CG GLU A 9 6.366 12.064 -4.698 1.00 0.00 C ATOM 148 CD GLU A 9 6.892 12.271 -3.305 1.00 0.00 C ATOM 149 OE1 GLU A 9 6.506 11.534 -2.429 1.00 0.00 O ATOM 150 OE2 GLU A 9 7.682 13.166 -3.116 1.00 0.00 O ATOM 151 H GLU A 9 4.520 8.556 -5.551 1.00 0.00 H ATOM 152 HA GLU A 9 4.385 11.208 -6.501 1.00 0.00 H ATOM 153 1HB GLU A 9 4.870 10.650 -4.163 1.00 0.00 H ATOM 154 2HB GLU A 9 6.411 9.939 -4.622 1.00 0.00 H ATOM 155 1HG GLU A 9 7.195 12.141 -5.401 1.00 0.00 H ATOM 156 2HG GLU A 9 5.652 12.852 -4.932 1.00 0.00 H ATOM 157 N ARG A 10 7.162 9.629 -7.359 1.00 0.00 N ATOM 158 CA ARG A 10 8.258 9.631 -8.320 1.00 0.00 C ATOM 159 C ARG A 10 7.749 9.863 -9.736 1.00 0.00 C ATOM 160 O ARG A 10 8.244 10.735 -10.450 1.00 0.00 O ATOM 161 CB ARG A 10 9.020 8.315 -8.267 1.00 0.00 C ATOM 162 CG ARG A 10 10.156 8.192 -9.270 1.00 0.00 C ATOM 163 CD ARG A 10 10.817 6.864 -9.191 1.00 0.00 C ATOM 164 NE ARG A 10 11.872 6.725 -10.182 1.00 0.00 N ATOM 165 CZ ARG A 10 13.147 7.121 -10.002 1.00 0.00 C ATOM 166 NH1 ARG A 10 13.508 7.679 -8.867 1.00 0.00 N ATOM 167 NH2 ARG A 10 14.035 6.950 -10.966 1.00 0.00 N ATOM 168 H ARG A 10 7.074 8.855 -6.715 1.00 0.00 H ATOM 169 HA ARG A 10 8.945 10.437 -8.059 1.00 0.00 H ATOM 170 1HB ARG A 10 9.442 8.179 -7.272 1.00 0.00 H ATOM 171 2HB ARG A 10 8.331 7.489 -8.445 1.00 0.00 H ATOM 172 1HG ARG A 10 9.765 8.322 -10.280 1.00 0.00 H ATOM 173 2HG ARG A 10 10.904 8.960 -9.069 1.00 0.00 H ATOM 174 1HD ARG A 10 11.257 6.735 -8.203 1.00 0.00 H ATOM 175 2HD ARG A 10 10.080 6.081 -9.366 1.00 0.00 H ATOM 176 HE ARG A 10 11.633 6.300 -11.068 1.00 0.00 H ATOM 177 1HH1 ARG A 10 12.830 7.810 -8.130 1.00 0.00 H ATOM 178 2HH1 ARG A 10 14.464 7.976 -8.732 1.00 0.00 H ATOM 179 1HH2 ARG A 10 13.757 6.521 -11.838 1.00 0.00 H ATOM 180 2HH2 ARG A 10 14.990 7.247 -10.831 1.00 0.00 H ATOM 181 N LEU A 11 6.756 9.076 -10.138 1.00 0.00 N ATOM 182 CA LEU A 11 6.199 9.172 -11.482 1.00 0.00 C ATOM 183 C LEU A 11 5.621 10.557 -11.742 1.00 0.00 C ATOM 184 O LEU A 11 5.774 11.110 -12.831 1.00 0.00 O ATOM 185 CB LEU A 11 5.109 8.111 -11.681 1.00 0.00 C ATOM 186 CG LEU A 11 5.599 6.659 -11.749 1.00 0.00 C ATOM 187 CD1 LEU A 11 4.404 5.716 -11.708 1.00 0.00 C ATOM 188 CD2 LEU A 11 6.413 6.456 -13.019 1.00 0.00 C ATOM 189 H LEU A 11 6.377 8.395 -9.496 1.00 0.00 H ATOM 190 HA LEU A 11 6.997 8.986 -12.202 1.00 0.00 H ATOM 191 1HB LEU A 11 4.400 8.183 -10.859 1.00 0.00 H ATOM 192 2HB LEU A 11 4.580 8.326 -12.610 1.00 0.00 H ATOM 193 HG LEU A 11 6.223 6.444 -10.880 1.00 0.00 H ATOM 194 1HD1 LEU A 11 4.752 4.685 -11.756 1.00 0.00 H ATOM 195 2HD1 LEU A 11 3.852 5.869 -10.781 1.00 0.00 H ATOM 196 3HD1 LEU A 11 3.752 5.919 -12.557 1.00 0.00 H ATOM 197 1HD2 LEU A 11 6.762 5.424 -13.066 1.00 0.00 H ATOM 198 2HD2 LEU A 11 5.790 6.669 -13.888 1.00 0.00 H ATOM 199 3HD2 LEU A 11 7.270 7.129 -13.013 1.00 0.00 H ATOM 200 N GLU A 12 4.955 11.113 -10.735 1.00 0.00 N ATOM 201 CA GLU A 12 4.394 12.455 -10.836 1.00 0.00 C ATOM 202 C GLU A 12 5.489 13.497 -11.028 1.00 0.00 C ATOM 203 O GLU A 12 5.326 14.449 -11.791 1.00 0.00 O ATOM 204 CB GLU A 12 3.576 12.786 -9.586 1.00 0.00 C ATOM 205 CG GLU A 12 2.273 12.009 -9.463 1.00 0.00 C ATOM 206 CD GLU A 12 1.586 12.223 -8.144 1.00 0.00 C ATOM 207 OE1 GLU A 12 2.125 12.923 -7.321 1.00 0.00 O ATOM 208 OE2 GLU A 12 0.519 11.686 -7.958 1.00 0.00 O ATOM 209 H GLU A 12 4.835 10.593 -9.878 1.00 0.00 H ATOM 210 HA GLU A 12 3.726 12.487 -11.697 1.00 0.00 H ATOM 211 1HB GLU A 12 4.172 12.582 -8.696 1.00 0.00 H ATOM 212 2HB GLU A 12 3.333 13.849 -9.581 1.00 0.00 H ATOM 213 1HG GLU A 12 1.601 12.318 -10.264 1.00 0.00 H ATOM 214 2HG GLU A 12 2.482 10.948 -9.591 1.00 0.00 H ATOM 215 N ARG A 13 6.605 13.310 -10.332 1.00 0.00 N ATOM 216 CA ARG A 13 7.755 14.196 -10.475 1.00 0.00 C ATOM 217 C ARG A 13 8.405 14.037 -11.843 1.00 0.00 C ATOM 218 O ARG A 13 9.096 14.937 -12.321 1.00 0.00 O ATOM 219 CB ARG A 13 8.785 13.915 -9.391 1.00 0.00 C ATOM 220 CG ARG A 13 8.367 14.329 -7.989 1.00 0.00 C ATOM 221 CD ARG A 13 9.429 14.040 -6.991 1.00 0.00 C ATOM 222 NE ARG A 13 9.005 14.363 -5.639 1.00 0.00 N ATOM 223 CZ ARG A 13 9.076 15.590 -5.088 1.00 0.00 C ATOM 224 NH1 ARG A 13 9.555 16.597 -5.784 1.00 0.00 N ATOM 225 NH2 ARG A 13 8.664 15.782 -3.847 1.00 0.00 N ATOM 226 H ARG A 13 6.659 12.535 -9.686 1.00 0.00 H ATOM 227 HA ARG A 13 7.413 15.226 -10.368 1.00 0.00 H ATOM 228 1HB ARG A 13 9.007 12.849 -9.368 1.00 0.00 H ATOM 229 2HB ARG A 13 9.712 14.438 -9.626 1.00 0.00 H ATOM 230 1HG ARG A 13 8.162 15.399 -7.971 1.00 0.00 H ATOM 231 2HG ARG A 13 7.468 13.782 -7.701 1.00 0.00 H ATOM 232 1HD ARG A 13 9.682 12.980 -7.026 1.00 0.00 H ATOM 233 2HD ARG A 13 10.315 14.631 -7.222 1.00 0.00 H ATOM 234 HE ARG A 13 8.631 13.614 -5.072 1.00 0.00 H ATOM 235 1HH1 ARG A 13 9.870 16.450 -6.733 1.00 0.00 H ATOM 236 2HH1 ARG A 13 9.607 17.517 -5.371 1.00 0.00 H ATOM 237 1HH2 ARG A 13 8.296 15.008 -3.311 1.00 0.00 H ATOM 238 2HH2 ARG A 13 8.717 16.701 -3.434 1.00 0.00 H ATOM 239 N LEU A 14 8.180 12.887 -12.469 1.00 0.00 N ATOM 240 CA LEU A 14 8.688 12.634 -13.813 1.00 0.00 C ATOM 241 C LEU A 14 7.765 13.226 -14.870 1.00 0.00 C ATOM 242 O LEU A 14 8.060 13.175 -16.064 1.00 0.00 O ATOM 243 CB LEU A 14 8.842 11.126 -14.046 1.00 0.00 C ATOM 244 CG LEU A 14 9.914 10.428 -13.199 1.00 0.00 C ATOM 245 CD1 LEU A 14 9.831 8.923 -13.414 1.00 0.00 C ATOM 246 CD2 LEU A 14 11.288 10.960 -13.579 1.00 0.00 C ATOM 247 H LEU A 14 7.644 12.169 -12.003 1.00 0.00 H ATOM 248 HA LEU A 14 9.666 13.105 -13.907 1.00 0.00 H ATOM 249 1HB LEU A 14 7.889 10.643 -13.837 1.00 0.00 H ATOM 250 2HB LEU A 14 9.088 10.960 -15.095 1.00 0.00 H ATOM 251 HG LEU A 14 9.728 10.625 -12.143 1.00 0.00 H ATOM 252 1HD1 LEU A 14 10.593 8.427 -12.812 1.00 0.00 H ATOM 253 2HD1 LEU A 14 8.845 8.566 -13.116 1.00 0.00 H ATOM 254 3HD1 LEU A 14 9.997 8.696 -14.467 1.00 0.00 H ATOM 255 1HD2 LEU A 14 12.049 10.464 -12.976 1.00 0.00 H ATOM 256 2HD2 LEU A 14 11.475 10.763 -14.635 1.00 0.00 H ATOM 257 3HD2 LEU A 14 11.324 12.034 -13.399 1.00 0.00 H ATOM 258 N GLY A 15 6.647 13.788 -14.425 1.00 0.00 N ATOM 259 CA GLY A 15 5.771 14.554 -15.304 1.00 0.00 C ATOM 260 C GLY A 15 4.471 13.806 -15.574 1.00 0.00 C ATOM 261 O GLY A 15 3.730 14.145 -16.497 1.00 0.00 O ATOM 262 H GLY A 15 6.396 13.682 -13.452 1.00 0.00 H ATOM 263 1HA GLY A 15 5.552 15.519 -14.849 1.00 0.00 H ATOM 264 2HA GLY A 15 6.283 14.751 -16.245 1.00 0.00 H ATOM 265 N ALA A 16 4.200 12.789 -14.763 1.00 0.00 N ATOM 266 CA ALA A 16 2.946 12.051 -14.853 1.00 0.00 C ATOM 267 C ALA A 16 1.862 12.701 -14.003 1.00 0.00 C ATOM 268 O ALA A 16 2.155 13.375 -13.016 1.00 0.00 O ATOM 269 CB ALA A 16 3.152 10.604 -14.431 1.00 0.00 C ATOM 270 H ALA A 16 4.881 12.520 -14.067 1.00 0.00 H ATOM 271 HA ALA A 16 2.617 12.055 -15.892 1.00 0.00 H ATOM 272 1HB ALA A 16 2.207 10.066 -14.503 1.00 0.00 H ATOM 273 2HB ALA A 16 3.887 10.135 -15.085 1.00 0.00 H ATOM 274 3HB ALA A 16 3.509 10.572 -13.403 1.00 0.00 H ATOM 275 N SER A 17 0.609 12.495 -14.393 1.00 0.00 N ATOM 276 CA SER A 17 -0.525 12.916 -13.579 1.00 0.00 C ATOM 277 C SER A 17 -0.788 11.930 -12.448 1.00 0.00 C ATOM 278 O SER A 17 -0.219 10.839 -12.419 1.00 0.00 O ATOM 279 CB SER A 17 -1.765 13.052 -14.442 1.00 0.00 C ATOM 280 OG SER A 17 -2.219 11.798 -14.869 1.00 0.00 O ATOM 281 H SER A 17 0.437 12.035 -15.275 1.00 0.00 H ATOM 282 HA SER A 17 -0.295 13.888 -13.139 1.00 0.00 H ATOM 283 1HB SER A 17 -2.550 13.552 -13.874 1.00 0.00 H ATOM 284 2HB SER A 17 -1.539 13.675 -15.307 1.00 0.00 H ATOM 285 HG SER A 17 -2.563 11.929 -15.756 1.00 0.00 H ATOM 286 N SER A 18 -1.653 12.321 -11.518 1.00 0.00 N ATOM 287 CA SER A 18 -2.020 11.457 -10.402 1.00 0.00 C ATOM 288 C SER A 18 -2.639 10.155 -10.893 1.00 0.00 C ATOM 289 O SER A 18 -2.276 9.072 -10.434 1.00 0.00 O ATOM 290 CB SER A 18 -2.990 12.175 -9.484 1.00 0.00 C ATOM 291 OG SER A 18 -3.367 11.355 -8.412 1.00 0.00 O ATOM 292 H SER A 18 -2.068 13.239 -11.587 1.00 0.00 H ATOM 293 HA SER A 18 -1.118 11.224 -9.835 1.00 0.00 H ATOM 294 1HB SER A 18 -2.526 13.085 -9.103 1.00 0.00 H ATOM 295 2HB SER A 18 -3.874 12.470 -10.048 1.00 0.00 H ATOM 296 HG SER A 18 -4.322 11.267 -8.470 1.00 0.00 H ATOM 297 N GLU A 19 -3.577 10.267 -11.828 1.00 0.00 N ATOM 298 CA GLU A 19 -4.263 9.100 -12.368 1.00 0.00 C ATOM 299 C GLU A 19 -3.328 8.261 -13.230 1.00 0.00 C ATOM 300 O GLU A 19 -3.393 7.032 -13.218 1.00 0.00 O ATOM 301 CB GLU A 19 -5.481 9.530 -13.189 1.00 0.00 C ATOM 302 CG GLU A 19 -6.641 10.064 -12.361 1.00 0.00 C ATOM 303 CD GLU A 19 -7.231 9.028 -11.445 1.00 0.00 C ATOM 304 OE1 GLU A 19 -7.399 7.911 -11.872 1.00 0.00 O ATOM 305 OE2 GLU A 19 -7.515 9.354 -10.317 1.00 0.00 O ATOM 306 H GLU A 19 -3.820 11.185 -12.173 1.00 0.00 H ATOM 307 HA GLU A 19 -4.614 8.489 -11.536 1.00 0.00 H ATOM 308 1HB GLU A 19 -5.188 10.307 -13.895 1.00 0.00 H ATOM 309 2HB GLU A 19 -5.846 8.682 -13.769 1.00 0.00 H ATOM 310 1HG GLU A 19 -6.289 10.904 -11.762 1.00 0.00 H ATOM 311 2HG GLU A 19 -7.414 10.431 -13.033 1.00 0.00 H ATOM 312 N LEU A 20 -2.458 8.933 -13.977 1.00 0.00 N ATOM 313 CA LEU A 20 -1.496 8.250 -14.834 1.00 0.00 C ATOM 314 C LEU A 20 -0.490 7.458 -14.010 1.00 0.00 C ATOM 315 O LEU A 20 -0.240 6.283 -14.279 1.00 0.00 O ATOM 316 CB LEU A 20 -0.758 9.265 -15.716 1.00 0.00 C ATOM 317 CG LEU A 20 0.331 8.686 -16.628 1.00 0.00 C ATOM 318 CD1 LEU A 20 -0.281 7.637 -17.547 1.00 0.00 C ATOM 319 CD2 LEU A 20 0.971 9.809 -17.431 1.00 0.00 C ATOM 320 H LEU A 20 -2.464 9.943 -13.951 1.00 0.00 H ATOM 321 HA LEU A 20 -2.038 7.560 -15.482 1.00 0.00 H ATOM 322 1HB LEU A 20 -1.486 9.770 -16.349 1.00 0.00 H ATOM 323 2HB LEU A 20 -0.290 10.010 -15.072 1.00 0.00 H ATOM 324 HG LEU A 20 1.091 8.195 -16.021 1.00 0.00 H ATOM 325 1HD1 LEU A 20 0.493 7.225 -18.195 1.00 0.00 H ATOM 326 2HD1 LEU A 20 -0.714 6.836 -16.947 1.00 0.00 H ATOM 327 3HD1 LEU A 20 -1.058 8.096 -18.156 1.00 0.00 H ATOM 328 1HD2 LEU A 20 1.746 9.397 -18.079 1.00 0.00 H ATOM 329 2HD2 LEU A 20 0.212 10.300 -18.040 1.00 0.00 H ATOM 330 3HD2 LEU A 20 1.415 10.535 -16.750 1.00 0.00 H ATOM 331 N ALA A 21 0.086 8.108 -13.004 1.00 0.00 N ATOM 332 CA ALA A 21 1.057 7.460 -12.130 1.00 0.00 C ATOM 333 C ALA A 21 0.473 6.207 -11.490 1.00 0.00 C ATOM 334 O ALA A 21 1.124 5.164 -11.440 1.00 0.00 O ATOM 335 CB ALA A 21 1.532 8.429 -11.057 1.00 0.00 C ATOM 336 H ALA A 21 -0.155 9.075 -12.841 1.00 0.00 H ATOM 337 HA ALA A 21 1.925 7.177 -12.726 1.00 0.00 H ATOM 338 1HB ALA A 21 2.257 7.931 -10.412 1.00 0.00 H ATOM 339 2HB ALA A 21 2.000 9.294 -11.529 1.00 0.00 H ATOM 340 3HB ALA A 21 0.682 8.757 -10.461 1.00 0.00 H ATOM 341 N ARG A 22 -0.758 6.317 -11.003 1.00 0.00 N ATOM 342 CA ARG A 22 -1.463 5.172 -10.438 1.00 0.00 C ATOM 343 C ARG A 22 -1.645 4.071 -11.476 1.00 0.00 C ATOM 344 O ARG A 22 -1.343 2.906 -11.217 1.00 0.00 O ATOM 345 CB ARG A 22 -2.825 5.592 -9.905 1.00 0.00 C ATOM 346 CG ARG A 22 -3.639 4.471 -9.278 1.00 0.00 C ATOM 347 CD ARG A 22 -4.962 4.953 -8.804 1.00 0.00 C ATOM 348 NE ARG A 22 -5.792 5.426 -9.900 1.00 0.00 N ATOM 349 CZ ARG A 22 -6.441 4.626 -10.768 1.00 0.00 C ATOM 350 NH1 ARG A 22 -6.345 3.319 -10.656 1.00 0.00 N ATOM 351 NH2 ARG A 22 -7.173 5.154 -11.733 1.00 0.00 N ATOM 352 H ARG A 22 -1.217 7.216 -11.023 1.00 0.00 H ATOM 353 HA ARG A 22 -0.875 4.777 -9.609 1.00 0.00 H ATOM 354 1HB ARG A 22 -2.697 6.367 -9.151 1.00 0.00 H ATOM 355 2HB ARG A 22 -3.417 6.017 -10.715 1.00 0.00 H ATOM 356 1HG ARG A 22 -3.805 3.686 -10.016 1.00 0.00 H ATOM 357 2HG ARG A 22 -3.098 4.061 -8.425 1.00 0.00 H ATOM 358 1HD ARG A 22 -5.487 4.140 -8.304 1.00 0.00 H ATOM 359 2HD ARG A 22 -4.819 5.776 -8.104 1.00 0.00 H ATOM 360 HE ARG A 22 -5.890 6.425 -10.018 1.00 0.00 H ATOM 361 1HH1 ARG A 22 -5.786 2.915 -9.918 1.00 0.00 H ATOM 362 2HH1 ARG A 22 -6.831 2.720 -11.306 1.00 0.00 H ATOM 363 1HH2 ARG A 22 -7.246 6.159 -11.820 1.00 0.00 H ATOM 364 2HH2 ARG A 22 -7.659 4.555 -12.384 1.00 0.00 H ATOM 365 N GLU A 23 -2.139 4.448 -12.650 1.00 0.00 N ATOM 366 CA GLU A 23 -2.356 3.494 -13.731 1.00 0.00 C ATOM 367 C GLU A 23 -1.067 2.766 -14.090 1.00 0.00 C ATOM 368 O GLU A 23 -1.060 1.549 -14.274 1.00 0.00 O ATOM 369 CB GLU A 23 -2.912 4.205 -14.967 1.00 0.00 C ATOM 370 CG GLU A 23 -3.169 3.291 -16.156 1.00 0.00 C ATOM 371 CD GLU A 23 -3.748 4.018 -17.338 1.00 0.00 C ATOM 372 OE1 GLU A 23 -4.108 5.161 -17.191 1.00 0.00 O ATOM 373 OE2 GLU A 23 -3.830 3.429 -18.390 1.00 0.00 O ATOM 374 H GLU A 23 -2.372 5.419 -12.797 1.00 0.00 H ATOM 375 HA GLU A 23 -3.092 2.759 -13.403 1.00 0.00 H ATOM 376 1HB GLU A 23 -3.852 4.695 -14.712 1.00 0.00 H ATOM 377 2HB GLU A 23 -2.215 4.980 -15.285 1.00 0.00 H ATOM 378 1HG GLU A 23 -2.229 2.827 -16.454 1.00 0.00 H ATOM 379 2HG GLU A 23 -3.853 2.500 -15.852 1.00 0.00 H ATOM 380 N LEU A 24 0.024 3.519 -14.188 1.00 0.00 N ATOM 381 CA LEU A 24 1.316 2.951 -14.554 1.00 0.00 C ATOM 382 C LEU A 24 1.748 1.879 -13.562 1.00 0.00 C ATOM 383 O LEU A 24 2.248 0.824 -13.951 1.00 0.00 O ATOM 384 CB LEU A 24 2.380 4.054 -14.620 1.00 0.00 C ATOM 385 CG LEU A 24 2.244 5.041 -15.787 1.00 0.00 C ATOM 386 CD1 LEU A 24 3.182 6.220 -15.567 1.00 0.00 C ATOM 387 CD2 LEU A 24 2.556 4.329 -17.094 1.00 0.00 C ATOM 388 H LEU A 24 -0.044 4.510 -14.005 1.00 0.00 H ATOM 389 HA LEU A 24 1.228 2.497 -15.542 1.00 0.00 H ATOM 390 1HB LEU A 24 2.344 4.627 -13.695 1.00 0.00 H ATOM 391 2HB LEU A 24 3.362 3.586 -14.695 1.00 0.00 H ATOM 392 HG LEU A 24 1.225 5.428 -15.819 1.00 0.00 H ATOM 393 1HD1 LEU A 24 3.085 6.921 -16.396 1.00 0.00 H ATOM 394 2HD1 LEU A 24 2.924 6.722 -14.635 1.00 0.00 H ATOM 395 3HD1 LEU A 24 4.210 5.861 -15.514 1.00 0.00 H ATOM 396 1HD2 LEU A 24 2.459 5.030 -17.923 1.00 0.00 H ATOM 397 2HD2 LEU A 24 3.576 3.943 -17.063 1.00 0.00 H ATOM 398 3HD2 LEU A 24 1.860 3.502 -17.234 1.00 0.00 H ATOM 399 N LEU A 25 1.551 2.156 -12.277 1.00 0.00 N ATOM 400 CA LEU A 25 1.919 1.215 -11.226 1.00 0.00 C ATOM 401 C LEU A 25 0.998 0.002 -11.226 1.00 0.00 C ATOM 402 O LEU A 25 1.427 -1.114 -10.932 1.00 0.00 O ATOM 403 CB LEU A 25 1.867 1.904 -9.856 1.00 0.00 C ATOM 404 CG LEU A 25 2.929 2.984 -9.614 1.00 0.00 C ATOM 405 CD1 LEU A 25 2.617 3.723 -8.319 1.00 0.00 C ATOM 406 CD2 LEU A 25 4.306 2.339 -9.557 1.00 0.00 C ATOM 407 H LEU A 25 1.137 3.041 -12.022 1.00 0.00 H ATOM 408 HA LEU A 25 2.941 0.879 -11.404 1.00 0.00 H ATOM 409 1HB LEU A 25 0.889 2.368 -9.738 1.00 0.00 H ATOM 410 2HB LEU A 25 1.982 1.146 -9.081 1.00 0.00 H ATOM 411 HG LEU A 25 2.902 3.710 -10.427 1.00 0.00 H ATOM 412 1HD1 LEU A 25 3.371 4.490 -8.148 1.00 0.00 H ATOM 413 2HD1 LEU A 25 1.635 4.191 -8.395 1.00 0.00 H ATOM 414 3HD1 LEU A 25 2.621 3.018 -7.489 1.00 0.00 H ATOM 415 1HD2 LEU A 25 5.061 3.107 -9.386 1.00 0.00 H ATOM 416 2HD2 LEU A 25 4.335 1.614 -8.744 1.00 0.00 H ATOM 417 3HD2 LEU A 25 4.510 1.834 -10.501 1.00 0.00 H ATOM 418 N ASP A 26 -0.269 0.227 -11.557 1.00 0.00 N ATOM 419 CA ASP A 26 -1.237 -0.858 -11.661 1.00 0.00 C ATOM 420 C ASP A 26 -0.924 -1.764 -12.845 1.00 0.00 C ATOM 421 O ASP A 26 -1.116 -2.979 -12.777 1.00 0.00 O ATOM 422 CB ASP A 26 -2.656 -0.299 -11.801 1.00 0.00 C ATOM 423 CG ASP A 26 -3.183 0.307 -10.507 1.00 0.00 C ATOM 424 OD1 ASP A 26 -2.608 0.050 -9.476 1.00 0.00 O ATOM 425 OD2 ASP A 26 -4.156 1.020 -10.563 1.00 0.00 O ATOM 426 H ASP A 26 -0.568 1.173 -11.741 1.00 0.00 H ATOM 427 HA ASP A 26 -1.194 -1.450 -10.746 1.00 0.00 H ATOM 428 1HB ASP A 26 -2.670 0.467 -12.576 1.00 0.00 H ATOM 429 2HB ASP A 26 -3.331 -1.095 -12.114 1.00 0.00 H ATOM 430 N ARG A 27 -0.440 -1.168 -13.929 1.00 0.00 N ATOM 431 CA ARG A 27 0.006 -1.930 -15.089 1.00 0.00 C ATOM 432 C ARG A 27 1.340 -2.613 -14.819 1.00 0.00 C ATOM 433 O ARG A 27 1.611 -3.696 -15.339 1.00 0.00 O ATOM 434 CB ARG A 27 0.139 -1.026 -16.305 1.00 0.00 C ATOM 435 CG ARG A 27 -1.178 -0.527 -16.878 1.00 0.00 C ATOM 436 CD ARG A 27 -0.968 0.313 -18.086 1.00 0.00 C ATOM 437 NE ARG A 27 -2.217 0.863 -18.587 1.00 0.00 N ATOM 438 CZ ARG A 27 -3.073 0.207 -19.393 1.00 0.00 C ATOM 439 NH1 ARG A 27 -2.803 -1.020 -19.780 1.00 0.00 N ATOM 440 NH2 ARG A 27 -4.186 0.796 -19.796 1.00 0.00 N ATOM 441 H ARG A 27 -0.380 -0.160 -13.950 1.00 0.00 H ATOM 442 HA ARG A 27 -0.740 -2.695 -15.308 1.00 0.00 H ATOM 443 1HB ARG A 27 0.737 -0.154 -16.046 1.00 0.00 H ATOM 444 2HB ARG A 27 0.663 -1.559 -17.099 1.00 0.00 H ATOM 445 1HG ARG A 27 -1.800 -1.378 -17.156 1.00 0.00 H ATOM 446 2HG ARG A 27 -1.697 0.073 -16.130 1.00 0.00 H ATOM 447 1HD ARG A 27 -0.304 1.141 -17.842 1.00 0.00 H ATOM 448 2HD ARG A 27 -0.521 -0.291 -18.875 1.00 0.00 H ATOM 449 HE ARG A 27 -2.460 1.805 -18.311 1.00 0.00 H ATOM 450 1HH1 ARG A 27 -1.952 -1.471 -19.473 1.00 0.00 H ATOM 451 2HH1 ARG A 27 -3.445 -1.512 -20.385 1.00 0.00 H ATOM 452 1HH2 ARG A 27 -4.394 1.740 -19.498 1.00 0.00 H ATOM 453 2HH2 ARG A 27 -4.828 0.304 -20.400 1.00 0.00 H ATOM 454 N ALA A 28 2.172 -1.975 -14.003 1.00 0.00 N ATOM 455 CA ALA A 28 3.479 -2.522 -13.659 1.00 0.00 C ATOM 456 C ALA A 28 3.389 -3.448 -12.453 1.00 0.00 C ATOM 457 O ALA A 28 4.374 -4.075 -12.065 1.00 0.00 O ATOM 458 CB ALA A 28 4.469 -1.398 -13.391 1.00 0.00 C ATOM 459 H ALA A 28 1.891 -1.087 -13.611 1.00 0.00 H ATOM 460 HA ALA A 28 3.850 -3.092 -14.511 1.00 0.00 H ATOM 461 1HB ALA A 28 5.441 -1.822 -13.135 1.00 0.00 H ATOM 462 2HB ALA A 28 4.567 -0.778 -14.282 1.00 0.00 H ATOM 463 3HB ALA A 28 4.111 -0.788 -12.563 1.00 0.00 H ATOM 464 N ASN A 29 2.201 -3.529 -11.864 1.00 0.00 N ATOM 465 CA ASN A 29 1.964 -4.424 -10.738 1.00 0.00 C ATOM 466 C ASN A 29 2.874 -4.085 -9.564 1.00 0.00 C ATOM 467 O ASN A 29 3.339 -4.973 -8.849 1.00 0.00 O ATOM 468 CB ASN A 29 2.150 -5.871 -11.157 1.00 0.00 C ATOM 469 CG ASN A 29 1.142 -6.309 -12.183 1.00 0.00 C ATOM 470 OD1 ASN A 29 -0.046 -5.984 -12.082 1.00 0.00 O ATOM 471 ND2 ASN A 29 1.594 -7.042 -13.169 1.00 0.00 N ATOM 472 H ASN A 29 1.442 -2.956 -12.204 1.00 0.00 H ATOM 473 HA ASN A 29 0.936 -4.290 -10.399 1.00 0.00 H ATOM 474 1HB ASN A 29 3.152 -6.005 -11.568 1.00 0.00 H ATOM 475 2HB ASN A 29 2.066 -6.517 -10.283 1.00 0.00 H ATOM 476 1HD2 ASN A 29 0.968 -7.362 -13.881 1.00 0.00 H ATOM 477 2HD2 ASN A 29 2.563 -7.281 -13.211 1.00 0.00 H ATOM 478 N GLY A 30 3.124 -2.795 -9.369 1.00 0.00 N ATOM 479 CA GLY A 30 3.896 -2.328 -8.223 1.00 0.00 C ATOM 480 C GLY A 30 5.361 -2.132 -8.589 1.00 0.00 C ATOM 481 O GLY A 30 6.142 -1.597 -7.802 1.00 0.00 O ATOM 482 H GLY A 30 2.771 -2.120 -10.032 1.00 0.00 H ATOM 483 1HA GLY A 30 3.478 -1.388 -7.862 1.00 0.00 H ATOM 484 2HA GLY A 30 3.813 -3.050 -7.411 1.00 0.00 H ATOM 485 N ASN A 31 5.730 -2.569 -9.789 1.00 0.00 N ATOM 486 CA ASN A 31 7.104 -2.444 -10.261 1.00 0.00 C ATOM 487 C ASN A 31 7.408 -1.019 -10.704 1.00 0.00 C ATOM 488 O ASN A 31 7.088 -0.626 -11.825 1.00 0.00 O ATOM 489 CB ASN A 31 7.371 -3.423 -11.390 1.00 0.00 C ATOM 490 CG ASN A 31 8.808 -3.415 -11.833 1.00 0.00 C ATOM 491 OD1 ASN A 31 9.483 -2.381 -11.773 1.00 0.00 O ATOM 492 ND2 ASN A 31 9.288 -4.548 -12.278 1.00 0.00 N ATOM 493 H ASN A 31 5.040 -2.997 -10.390 1.00 0.00 H ATOM 494 HA ASN A 31 7.776 -2.697 -9.440 1.00 0.00 H ATOM 495 1HB ASN A 31 7.108 -4.431 -11.068 1.00 0.00 H ATOM 496 2HB ASN A 31 6.739 -3.176 -12.243 1.00 0.00 H ATOM 497 1HD2 ASN A 31 10.238 -4.602 -12.587 1.00 0.00 H ATOM 498 2HD2 ASN A 31 8.706 -5.360 -12.309 1.00 0.00 H ATOM 499 N ALA A 32 8.027 -0.248 -9.816 1.00 0.00 N ATOM 500 CA ALA A 32 8.255 1.171 -10.060 1.00 0.00 C ATOM 501 C ALA A 32 9.130 1.384 -11.289 1.00 0.00 C ATOM 502 O ALA A 32 8.899 2.303 -12.075 1.00 0.00 O ATOM 503 CB ALA A 32 8.889 1.823 -8.840 1.00 0.00 C ATOM 504 H ALA A 32 8.347 -0.656 -8.949 1.00 0.00 H ATOM 505 HA ALA A 32 7.291 1.652 -10.229 1.00 0.00 H ATOM 506 1HB ALA A 32 9.053 2.883 -9.038 1.00 0.00 H ATOM 507 2HB ALA A 32 8.225 1.713 -7.983 1.00 0.00 H ATOM 508 3HB ALA A 32 9.842 1.343 -8.625 1.00 0.00 H ATOM 509 N GLU A 33 10.135 0.530 -11.449 1.00 0.00 N ATOM 510 CA GLU A 33 11.044 0.621 -12.586 1.00 0.00 C ATOM 511 C GLU A 33 10.293 0.484 -13.904 1.00 0.00 C ATOM 512 O GLU A 33 10.457 1.301 -14.810 1.00 0.00 O ATOM 513 CB GLU A 33 12.127 -0.456 -12.490 1.00 0.00 C ATOM 514 CG GLU A 33 13.128 -0.445 -13.636 1.00 0.00 C ATOM 515 CD GLU A 33 14.176 -1.515 -13.508 1.00 0.00 C ATOM 516 OE1 GLU A 33 14.211 -2.168 -12.493 1.00 0.00 O ATOM 517 OE2 GLU A 33 14.943 -1.680 -14.427 1.00 0.00 O ATOM 518 H GLU A 33 10.273 -0.201 -10.766 1.00 0.00 H ATOM 519 HA GLU A 33 11.532 1.596 -12.561 1.00 0.00 H ATOM 520 1HB GLU A 33 12.682 -0.333 -11.560 1.00 0.00 H ATOM 521 2HB GLU A 33 11.659 -1.441 -12.463 1.00 0.00 H ATOM 522 1HG GLU A 33 12.592 -0.589 -14.574 1.00 0.00 H ATOM 523 2HG GLU A 33 13.612 0.530 -13.672 1.00 0.00 H ATOM 524 N LYS A 34 9.469 -0.553 -14.005 1.00 0.00 N ATOM 525 CA LYS A 34 8.661 -0.776 -15.198 1.00 0.00 C ATOM 526 C LYS A 34 7.715 0.391 -15.449 1.00 0.00 C ATOM 527 O LYS A 34 7.559 0.842 -16.583 1.00 0.00 O ATOM 528 CB LYS A 34 7.868 -2.078 -15.071 1.00 0.00 C ATOM 529 CG LYS A 34 6.988 -2.398 -16.273 1.00 0.00 C ATOM 530 CD LYS A 34 6.314 -3.753 -16.119 1.00 0.00 C ATOM 531 CE LYS A 34 5.386 -4.046 -17.289 1.00 0.00 C ATOM 532 NZ LYS A 34 4.754 -5.389 -17.175 1.00 0.00 N ATOM 533 H LYS A 34 9.401 -1.204 -13.236 1.00 0.00 H ATOM 534 HA LYS A 34 9.329 -0.876 -16.054 1.00 0.00 H ATOM 535 1HB LYS A 34 8.556 -2.912 -14.929 1.00 0.00 H ATOM 536 2HB LYS A 34 7.226 -2.029 -14.191 1.00 0.00 H ATOM 537 1HG LYS A 34 6.222 -1.630 -16.378 1.00 0.00 H ATOM 538 2HG LYS A 34 7.597 -2.405 -17.177 1.00 0.00 H ATOM 539 1HD LYS A 34 7.074 -4.534 -16.064 1.00 0.00 H ATOM 540 2HD LYS A 34 5.735 -3.768 -15.196 1.00 0.00 H ATOM 541 1HE LYS A 34 4.602 -3.291 -17.329 1.00 0.00 H ATOM 542 2HE LYS A 34 5.950 -4.003 -18.220 1.00 0.00 H ATOM 543 1HZ LYS A 34 4.148 -5.545 -17.968 1.00 0.00 H ATOM 544 2HZ LYS A 34 5.472 -6.099 -17.155 1.00 0.00 H ATOM 545 3HZ LYS A 34 4.212 -5.435 -16.323 1.00 0.00 H ATOM 546 N ALA A 35 7.087 0.877 -14.383 1.00 0.00 N ATOM 547 CA ALA A 35 6.161 1.998 -14.485 1.00 0.00 C ATOM 548 C ALA A 35 6.849 3.230 -15.060 1.00 0.00 C ATOM 549 O ALA A 35 6.285 3.934 -15.897 1.00 0.00 O ATOM 550 CB ALA A 35 5.561 2.315 -13.123 1.00 0.00 C ATOM 551 H ALA A 35 7.255 0.458 -13.480 1.00 0.00 H ATOM 552 HA ALA A 35 5.344 1.713 -15.148 1.00 0.00 H ATOM 553 1HB ALA A 35 4.872 3.155 -13.216 1.00 0.00 H ATOM 554 2HB ALA A 35 5.023 1.443 -12.751 1.00 0.00 H ATOM 555 3HB ALA A 35 6.357 2.574 -12.427 1.00 0.00 H ATOM 556 N GLU A 36 8.071 3.485 -14.606 1.00 0.00 N ATOM 557 CA GLU A 36 8.880 4.569 -15.150 1.00 0.00 C ATOM 558 C GLU A 36 9.149 4.363 -16.635 1.00 0.00 C ATOM 559 O GLU A 36 8.996 5.285 -17.437 1.00 0.00 O ATOM 560 CB GLU A 36 10.205 4.678 -14.392 1.00 0.00 C ATOM 561 CG GLU A 36 11.149 5.746 -14.926 1.00 0.00 C ATOM 562 CD GLU A 36 12.413 5.865 -14.121 1.00 0.00 C ATOM 563 OE1 GLU A 36 12.349 5.719 -12.924 1.00 0.00 O ATOM 564 OE2 GLU A 36 13.445 6.104 -14.704 1.00 0.00 O ATOM 565 H GLU A 36 8.450 2.913 -13.864 1.00 0.00 H ATOM 566 HA GLU A 36 8.337 5.505 -15.019 1.00 0.00 H ATOM 567 1HB GLU A 36 10.008 4.900 -13.343 1.00 0.00 H ATOM 568 2HB GLU A 36 10.727 3.721 -14.431 1.00 0.00 H ATOM 569 1HG GLU A 36 11.409 5.504 -15.956 1.00 0.00 H ATOM 570 2HG GLU A 36 10.632 6.705 -14.927 1.00 0.00 H ATOM 571 N ARG A 37 9.551 3.149 -16.996 1.00 0.00 N ATOM 572 CA ARG A 37 9.827 2.816 -18.388 1.00 0.00 C ATOM 573 C ARG A 37 8.595 3.022 -19.259 1.00 0.00 C ATOM 574 O ARG A 37 8.692 3.517 -20.382 1.00 0.00 O ATOM 575 CB ARG A 37 10.295 1.373 -18.511 1.00 0.00 C ATOM 576 CG ARG A 37 11.670 1.095 -17.925 1.00 0.00 C ATOM 577 CD ARG A 37 12.044 -0.337 -18.058 1.00 0.00 C ATOM 578 NE ARG A 37 13.266 -0.647 -17.333 1.00 0.00 N ATOM 579 CZ ARG A 37 14.510 -0.455 -17.812 1.00 0.00 C ATOM 580 NH1 ARG A 37 14.681 0.047 -19.015 1.00 0.00 N ATOM 581 NH2 ARG A 37 15.559 -0.771 -17.073 1.00 0.00 N ATOM 582 H ARG A 37 9.667 2.439 -16.288 1.00 0.00 H ATOM 583 HA ARG A 37 10.623 3.468 -18.749 1.00 0.00 H ATOM 584 1HB ARG A 37 9.585 0.717 -18.010 1.00 0.00 H ATOM 585 2HB ARG A 37 10.320 1.087 -19.562 1.00 0.00 H ATOM 586 1HG ARG A 37 12.416 1.694 -18.447 1.00 0.00 H ATOM 587 2HG ARG A 37 11.673 1.353 -16.865 1.00 0.00 H ATOM 588 1HD ARG A 37 11.244 -0.960 -17.661 1.00 0.00 H ATOM 589 2HD ARG A 37 12.202 -0.575 -19.109 1.00 0.00 H ATOM 590 HE ARG A 37 13.175 -1.035 -16.403 1.00 0.00 H ATOM 591 1HH1 ARG A 37 13.879 0.288 -19.580 1.00 0.00 H ATOM 592 2HH1 ARG A 37 15.613 0.191 -19.374 1.00 0.00 H ATOM 593 1HH2 ARG A 37 15.428 -1.156 -16.148 1.00 0.00 H ATOM 594 2HH2 ARG A 37 16.491 -0.626 -17.432 1.00 0.00 H ATOM 595 N LEU A 38 7.435 2.640 -18.735 1.00 0.00 N ATOM 596 CA LEU A 38 6.173 2.845 -19.435 1.00 0.00 C ATOM 597 C LEU A 38 5.896 4.328 -19.649 1.00 0.00 C ATOM 598 O LEU A 38 5.445 4.737 -20.719 1.00 0.00 O ATOM 599 CB LEU A 38 5.020 2.212 -18.646 1.00 0.00 C ATOM 600 CG LEU A 38 5.008 0.679 -18.600 1.00 0.00 C ATOM 601 CD1 LEU A 38 3.951 0.209 -17.610 1.00 0.00 C ATOM 602 CD2 LEU A 38 4.737 0.131 -19.993 1.00 0.00 C ATOM 603 H LEU A 38 7.428 2.196 -17.828 1.00 0.00 H ATOM 604 HA LEU A 38 6.234 2.357 -20.409 1.00 0.00 H ATOM 605 1HB LEU A 38 5.061 2.575 -17.620 1.00 0.00 H ATOM 606 2HB LEU A 38 4.078 2.538 -19.087 1.00 0.00 H ATOM 607 HG LEU A 38 5.976 0.318 -18.250 1.00 0.00 H ATOM 608 1HD1 LEU A 38 3.943 -0.881 -17.577 1.00 0.00 H ATOM 609 2HD1 LEU A 38 4.181 0.599 -16.619 1.00 0.00 H ATOM 610 3HD1 LEU A 38 2.972 0.569 -17.925 1.00 0.00 H ATOM 611 1HD2 LEU A 38 4.729 -0.959 -19.960 1.00 0.00 H ATOM 612 2HD2 LEU A 38 3.769 0.490 -20.343 1.00 0.00 H ATOM 613 3HD2 LEU A 38 5.517 0.468 -20.675 1.00 0.00 H ATOM 614 N LEU A 39 6.170 5.129 -18.626 1.00 0.00 N ATOM 615 CA LEU A 39 6.033 6.577 -18.728 1.00 0.00 C ATOM 616 C LEU A 39 6.971 7.146 -19.785 1.00 0.00 C ATOM 617 O LEU A 39 6.577 7.991 -20.588 1.00 0.00 O ATOM 618 CB LEU A 39 6.321 7.234 -17.372 1.00 0.00 C ATOM 619 CG LEU A 39 6.211 8.764 -17.338 1.00 0.00 C ATOM 620 CD1 LEU A 39 4.805 9.182 -17.747 1.00 0.00 C ATOM 621 CD2 LEU A 39 6.547 9.266 -15.941 1.00 0.00 C ATOM 622 H LEU A 39 6.480 4.725 -17.754 1.00 0.00 H ATOM 623 HA LEU A 39 5.005 6.808 -19.012 1.00 0.00 H ATOM 624 1HB LEU A 39 5.623 6.836 -16.638 1.00 0.00 H ATOM 625 2HB LEU A 39 7.332 6.967 -17.065 1.00 0.00 H ATOM 626 HG LEU A 39 6.909 9.195 -18.056 1.00 0.00 H ATOM 627 1HD1 LEU A 39 4.728 10.269 -17.722 1.00 0.00 H ATOM 628 2HD1 LEU A 39 4.599 8.827 -18.756 1.00 0.00 H ATOM 629 3HD1 LEU A 39 4.082 8.751 -17.055 1.00 0.00 H ATOM 630 1HD2 LEU A 39 6.470 10.353 -15.917 1.00 0.00 H ATOM 631 2HD2 LEU A 39 5.848 8.836 -15.223 1.00 0.00 H ATOM 632 3HD2 LEU A 39 7.563 8.968 -15.682 1.00 0.00 H ATOM 633 N ARG A 40 8.214 6.677 -19.779 1.00 0.00 N ATOM 634 CA ARG A 40 9.209 7.133 -20.742 1.00 0.00 C ATOM 635 C ARG A 40 8.779 6.820 -22.169 1.00 0.00 C ATOM 636 O ARG A 40 9.056 7.584 -23.093 1.00 0.00 O ATOM 637 CB ARG A 40 10.557 6.482 -20.468 1.00 0.00 C ATOM 638 CG ARG A 40 11.265 6.979 -19.217 1.00 0.00 C ATOM 639 CD ARG A 40 12.562 6.286 -19.008 1.00 0.00 C ATOM 640 NE ARG A 40 13.212 6.712 -17.779 1.00 0.00 N ATOM 641 CZ ARG A 40 13.990 7.805 -17.663 1.00 0.00 C ATOM 642 NH1 ARG A 40 14.204 8.573 -18.709 1.00 0.00 N ATOM 643 NH2 ARG A 40 14.537 8.107 -16.499 1.00 0.00 N ATOM 644 H ARG A 40 8.476 5.987 -19.089 1.00 0.00 H ATOM 645 HA ARG A 40 9.321 8.213 -20.639 1.00 0.00 H ATOM 646 1HB ARG A 40 10.427 5.406 -20.366 1.00 0.00 H ATOM 647 2HB ARG A 40 11.223 6.653 -21.314 1.00 0.00 H ATOM 648 1HG ARG A 40 11.458 8.048 -19.309 1.00 0.00 H ATOM 649 2HG ARG A 40 10.635 6.798 -18.346 1.00 0.00 H ATOM 650 1HD ARG A 40 12.395 5.211 -18.951 1.00 0.00 H ATOM 651 2HD ARG A 40 13.230 6.506 -19.840 1.00 0.00 H ATOM 652 HE ARG A 40 13.070 6.146 -16.952 1.00 0.00 H ATOM 653 1HH1 ARG A 40 13.786 8.342 -19.599 1.00 0.00 H ATOM 654 2HH1 ARG A 40 14.787 9.392 -18.623 1.00 0.00 H ATOM 655 1HH2 ARG A 40 14.372 7.518 -15.694 1.00 0.00 H ATOM 656 2HH2 ARG A 40 15.119 8.927 -16.412 1.00 0.00 H ATOM 657 N LYS A 41 8.100 5.691 -22.342 1.00 0.00 N ATOM 658 CA LYS A 41 7.533 5.329 -23.636 1.00 0.00 C ATOM 659 C LYS A 41 6.399 6.269 -24.024 1.00 0.00 C ATOM 660 O LYS A 41 6.250 6.628 -25.192 1.00 0.00 O ATOM 661 CB LYS A 41 7.033 3.883 -23.616 1.00 0.00 C ATOM 662 CG LYS A 41 8.139 2.836 -23.573 1.00 0.00 C ATOM 663 CD LYS A 41 7.564 1.429 -23.512 1.00 0.00 C ATOM 664 CE LYS A 41 8.667 0.381 -23.465 1.00 0.00 C ATOM 665 NZ LYS A 41 8.120 -1.001 -23.407 1.00 0.00 N ATOM 666 H LYS A 41 7.973 5.068 -21.558 1.00 0.00 H ATOM 667 HA LYS A 41 8.319 5.398 -24.390 1.00 0.00 H ATOM 668 1HB LYS A 41 6.394 3.731 -22.746 1.00 0.00 H ATOM 669 2HB LYS A 41 6.429 3.695 -24.504 1.00 0.00 H ATOM 670 1HG LYS A 41 8.761 2.927 -24.464 1.00 0.00 H ATOM 671 2HG LYS A 41 8.763 3.003 -22.696 1.00 0.00 H ATOM 672 1HD LYS A 41 6.940 1.328 -22.623 1.00 0.00 H ATOM 673 2HD LYS A 41 6.945 1.250 -24.391 1.00 0.00 H ATOM 674 1HE LYS A 41 9.294 0.474 -24.350 1.00 0.00 H ATOM 675 2HE LYS A 41 9.290 0.549 -22.586 1.00 0.00 H ATOM 676 1HZ LYS A 41 8.881 -1.664 -23.376 1.00 0.00 H ATOM 677 2HZ LYS A 41 7.550 -1.104 -22.578 1.00 0.00 H ATOM 678 3HZ LYS A 41 7.555 -1.175 -24.226 1.00 0.00 H ATOM 679 N LEU A 42 5.603 6.666 -23.037 1.00 0.00 N ATOM 680 CA LEU A 42 4.503 7.595 -23.267 1.00 0.00 C ATOM 681 C LEU A 42 5.020 8.993 -23.585 1.00 0.00 C ATOM 682 O LEU A 42 4.437 9.711 -24.397 1.00 0.00 O ATOM 683 CB LEU A 42 3.589 7.649 -22.037 1.00 0.00 C ATOM 684 CG LEU A 42 2.781 6.377 -21.752 1.00 0.00 C ATOM 685 CD1 LEU A 42 2.089 6.506 -20.401 1.00 0.00 C ATOM 686 CD2 LEU A 42 1.769 6.158 -22.866 1.00 0.00 C ATOM 687 H LEU A 42 5.764 6.315 -22.104 1.00 0.00 H ATOM 688 HA LEU A 42 3.919 7.237 -24.115 1.00 0.00 H ATOM 689 1HB LEU A 42 4.200 7.857 -21.159 1.00 0.00 H ATOM 690 2HB LEU A 42 2.882 8.469 -22.164 1.00 0.00 H ATOM 691 HG LEU A 42 3.455 5.522 -21.700 1.00 0.00 H ATOM 692 1HD1 LEU A 42 1.515 5.601 -20.199 1.00 0.00 H ATOM 693 2HD1 LEU A 42 2.838 6.642 -19.621 1.00 0.00 H ATOM 694 3HD1 LEU A 42 1.419 7.364 -20.417 1.00 0.00 H ATOM 695 1HD2 LEU A 42 1.195 5.253 -22.664 1.00 0.00 H ATOM 696 2HD2 LEU A 42 1.093 7.012 -22.917 1.00 0.00 H ATOM 697 3HD2 LEU A 42 2.292 6.051 -23.817 1.00 0.00 H ATOM 698 N LEU A 43 6.118 9.373 -22.940 1.00 0.00 N ATOM 699 CA LEU A 43 6.701 10.695 -23.134 1.00 0.00 C ATOM 700 C LEU A 43 7.490 10.763 -24.435 1.00 0.00 C ATOM 701 O LEU A 43 8.044 9.762 -24.890 1.00 0.00 O ATOM 702 OXT LEU A 43 7.578 11.802 -25.029 1.00 0.00 O ATOM 703 CB LEU A 43 7.616 11.049 -21.954 1.00 0.00 C ATOM 704 CG LEU A 43 6.920 11.199 -20.595 1.00 0.00 C ATOM 705 CD1 LEU A 43 7.967 11.413 -19.510 1.00 0.00 C ATOM 706 CD2 LEU A 43 5.943 12.364 -20.650 1.00 0.00 C ATOM 707 H LEU A 43 6.559 8.730 -22.299 1.00 0.00 H ATOM 708 HA LEU A 43 5.894 11.425 -23.183 1.00 0.00 H ATOM 709 1HB LEU A 43 8.372 10.272 -21.856 1.00 0.00 H ATOM 710 2HB LEU A 43 8.119 11.991 -22.175 1.00 0.00 H ATOM 711 HG LEU A 43 6.379 10.282 -20.360 1.00 0.00 H ATOM 712 1HD1 LEU A 43 7.473 11.519 -18.544 1.00 0.00 H ATOM 713 2HD1 LEU A 43 8.640 10.556 -19.480 1.00 0.00 H ATOM 714 3HD1 LEU A 43 8.536 12.316 -19.727 1.00 0.00 H ATOM 715 1HD2 LEU A 43 5.449 12.470 -19.684 1.00 0.00 H ATOM 716 2HD2 LEU A 43 6.484 13.282 -20.884 1.00 0.00 H ATOM 717 3HD2 LEU A 43 5.196 12.177 -21.422 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE nods_bigger.blueprint.44_try68_pass_20150322174503_0001_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 rama omega fa_dun p_aa_pp ref total weights 0.8 0.44 0.75 0.004 0.7 1 1.17 1.17 1.17 1.1 1 0.2 0.5 0.56 0.32 1 NA pose -167.475 16.1652 97.9531 0.23953 -25.5861 0 -22.949 -2.16118 -1.93823 -7.79086 0 -6.50637 2.77443 41.4557 -5.99256 -8.4305 -90.2421 SER:NtermProteinFull_1 -2.14115 0.16232 1.64646 0.0023 -0.30671 0 0 0 -0.37619 0 0 0 0.00953 0.26508 0 0.17658 -0.56177 GLU_2 -2.97553 0.25093 2.32893 0.00501 -1.09237 0 0 0 0 -0.22822 0 -0.268 0.04121 2.32825 -0.1528 -1.55374 -1.31632 GLU_3 -3.21173 0.27895 2.46827 0.00508 -1.01419 0 0 0 0 -0.25133 0 -0.25162 0.34276 2.3524 -0.16221 -1.55374 -0.99737 LYS_4 -4.07333 0.37135 2.66263 0.00496 -0.97759 0 0 0 -0.37619 -0.24521 0 -0.19953 0.08058 0.98766 -0.04807 -0.28737 -2.10013 LYS_5 -4.1339 0.37885 2.85241 0.00315 -1.0854 0 0 0 0 -0.22822 0 -0.2032 0.06159 0.84687 -0.04999 -0.28737 -1.84522 LYS_6 -4.04321 0.36076 2.85758 0.00313 -1.18774 0 0 0 0 -0.25133 0 -0.17673 0.04779 0.89221 -0.04568 -0.28737 -1.83059 ALA_7 -3.71436 0.35828 1.66923 0.00074 -0.19838 0 0 0 0 0 0 -0.20801 0.06808 0 -0.18333 0.59294 -1.6148 LYS_8 -5.59898 0.57153 3.86908 0.0056 -1.64738 0 0 0 0 -0.67513 0 -0.12195 0.0974 1.62878 -0.03237 -0.28737 -2.1908 GLU_9 -4.27607 0.39344 3.08022 0.00751 -1.1118 0 0 0 0 -0.36686 0 -0.1128 0.02487 2.23974 -0.10113 -1.55374 -1.77662 ARG_10 -4.42311 0.53446 2.90042 0.01322 -1.23945 0 0 0 0 -0.66719 0 0.09794 0.01163 1.8149 -0.09615 -0.14916 -1.20248 LEU_11 -6.41317 0.67997 1.90746 0.00642 -0.27989 0 0 0 0 0 0 -0.09647 0.02575 0.27754 -0.12158 0.60233 -3.41164 GLU_12 -5.33622 0.59136 3.80123 0.00471 -1.05378 0 0 0 0 -0.15147 0 -0.24108 0.04908 2.1587 -0.11645 -1.55374 -1.84766 ARG_13 -3.16509 0.36153 2.1564 0.00964 -0.92358 0 0 0 0 -0.36686 0 -0.2552 0.04916 1.4535 -0.08831 -0.14916 -0.91799 LEU_14 -3.49898 0.611 1.54683 0.00701 -0.04601 0 0 0 0 0 0 -0.20076 0.38403 0.08361 -0.08221 0.60233 -0.59315 GLY_15 -1.35651 0.31505 0.84636 1e-05 0.04678 0 0 0 0 0 0 -0.06301 0.09604 0 -0.80396 0.14053 -0.77873 ALA_16 -3.14602 0.41794 1.05821 0.0007 0.17813 0 0 0 0 0 0 -0.1619 0.30717 0 -0.04102 0.59294 -0.79385 SER_17 -2.76372 0.22207 2.07898 0.00158 -0.44461 0 0 0 -0.33253 0 0 -0.22145 0.01415 0.09601 -0.27342 0.17658 -1.44635 SER_18 -2.59483 0.16385 2.42765 0.00141 -0.72506 0 0 0 0 -0.52366 0 0.00065 0.00466 0.48617 0.16762 0.17658 -0.41496 GLU_19 -2.88532 0.14905 2.45574 0.005 -1.04134 0 0 0 0 -0.20386 0 -0.2326 0.00317 2.41668 -0.16441 -1.55374 -1.05161 LEU_20 -4.69852 0.52862 2.08584 0.0097 -0.20772 0 0 0 -0.33253 0 0 -0.02854 0.00198 0.38406 -0.11633 0.60233 -1.7711 ALA_21 -4.6151 0.31393 1.93813 0.00073 -0.21511 0 0 0 0 0 0 -0.10013 0.0713 0 -0.15506 0.59294 -2.16837 ARG_22 -4.76686 0.32357 3.76787 0.01508 -1.37186 0 0 0 0 -0.20386 0 -0.05756 0.00042 1.35838 -0.05384 -0.14916 -1.13782 GLU_23 -4.55398 0.31606 3.25186 0.00733 -1.04718 0 0 0 0 -0.50286 0 -0.15914 0.00934 2.24294 -0.09165 -1.55374 -2.08102 LEU_24 -6.17893 0.5967 1.71899 0.0061 -0.35198 0 0 0 0 0 0 -0.0804 1e-05 0.3974 -0.12103 0.60233 -3.41081 LEU_25 -5.976 0.53608 2.34274 0.00646 -0.31311 0 0 0 0 0 0 -0.13617 0.04938 0.16058 -0.12963 0.60233 -2.85734 ASP_26 -3.83621 0.17432 3.31971 0.0034 -1.08869 0 0 0 0 -0.24521 0 -0.17267 0.13776 1.32023 -0.00666 -1.28682 -1.68084 ARG_27 -3.47762 0.27058 2.34895 0.00956 -0.93814 0 0 0 0 -0.50286 0 -0.21034 0.00017 1.51182 -0.10494 -0.14916 -1.24198 ALA_28 -4.21972 0.63218 1.96745 0.00102 -0.29115 0 0 0 0 0 0 -0.19135 0.0395 0 -0.022 0.59294 -1.49114 ASN_29 -2.17943 0.47314 1.58596 0.00458 -0.01072 0 0 0 0 0 0 -0.33657 0.11002 1.26772 -0.536 -0.94198 -0.56327 GLY_30 -1.37132 0.2094 0.80093 0 -0.12411 0 0 0 0 0 0 -0.36608 5e-05 0 -0.79998 0.14053 -1.51058 ASN_31 -4.07269 0.51668 2.64808 0.01532 -0.51704 0 0 0 -0.26039 0 0 -0.0342 0.19948 1.37584 -0.28017 -0.94198 -1.35108 ALA_32 -2.41361 0.20615 1.28351 0.00074 0.02268 0 0 0 0 0 0 -0.19279 0.00022 0 -0.19477 0.59294 -0.69491 GLU_33 -3.41954 0.37036 2.51626 0.00734 -0.90075 0 0 0 0 -0.2813 0 -0.10299 0.01749 2.12918 -0.11002 -1.55374 -1.3277 LYS_34 -4.69208 0.38576 2.40071 0.0056 -0.41648 0 0 0 -0.26039 0 0 -0.17812 0.00067 0.94806 -0.04689 -0.28737 -2.14055 ALA_35 -4.73682 0.33479 1.83453 0.00074 -0.22345 0 0 0 0 0 0 -0.15192 0.12261 0 -0.18202 0.59294 -2.40858 GLU_36 -5.29759 0.47235 3.81803 0.00685 -2.13976 0 0 0 0 -1.14066 0 -0.15416 0.00267 2.61245 -0.10556 -1.55374 -3.47911 ARG_37 -4.5378 0.3125 2.81545 0.0096 -1.02242 0 0 0 0 -0.2813 0 -0.17605 0.05184 1.6977 -0.08218 -0.14916 -1.36182 LEU_38 -4.79541 0.44561 1.99271 0.00654 -0.1899 0 0 0 0 0 0 -0.10334 0.08112 0.28839 -0.12094 0.60233 -1.79289 LEU_39 -5.81514 0.65138 1.83821 0.0093 -0.19512 0 0 0 0 0 0 -0.08558 0.00056 0.49611 -0.11832 0.60233 -2.61627 ARG_40 -4.06369 0.21858 2.70286 0.00955 -0.60823 0 0 0 0 -0.47347 0 -0.20758 0.13714 1.5594 -0.05843 -0.14916 -0.93302 LYS_41 -2.6921 0.29309 1.6068 0.00309 0.08951 0 0 0 0 0 0 -0.23416 0.01502 0.75795 -0.0323 -0.28737 -0.48047 LEU_42 -2.66013 0.2243 1.21464 0.00663 0.24411 0 0 0 0 0 0 -0.13079 0.00702 0.1647 -0.12837 0.60233 -0.45556 LEU:CtermProteinFull_43 -2.65369 0.18636 1.53879 0.00706 0.38087 0 0 0 0 0 0 0 0 0.45463 0 0.60233 0.51635 #END_POSE_ENERGIES_TABLE nods_bigger.blueprint.44_try68_pass_20150322174503_0001_0001.pdb AlaCount 6 bb -0.0502483 buried_minus_exposed 3346.29 buried_np 5000.65 buried_over_exposed 3.0227 cavity_volume 0 contact_all 194 contact_core_SASA 194 contact_core_SCN 194 degree 10.5814 degree_core_SASA 10.5814 degree_core_SCN 10.5814 exposed_hydrophobics 1654.35 holes 1.20767 mismatch_probability 0.114244 one_core_each 1 pack 0.647211 percent_core_SASA 0.0697512 percent_core_SCN 0.139502 res_count_core_SASA 3 res_count_core_SCN 6 ss_sc 0.79362 two_core_each 0.666667 unsat_hbond 3
HHH_rd2_0058.pdb
ATOM 1 N ASP A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA ASP A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C ASP A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O ASP A 1 1.813 2.172 -0.955 1.00 0.00 O ATOM 5 CB ASP A 1 1.995 -0.762 -1.214 1.00 0.00 C ATOM 6 CG ASP A 1 3.512 -0.890 -1.211 1.00 0.00 C ATOM 7 OD1 ASP A 1 4.140 -0.254 -0.398 1.00 0.00 O ATOM 8 OD2 ASP A 1 4.028 -1.622 -2.021 1.00 0.00 O ATOM 9 1H ASP A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 10 2H ASP A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 11 3H ASP A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 12 HA ASP A 1 1.804 -0.506 0.902 1.00 0.00 H ATOM 13 1HB ASP A 1 1.560 -1.762 -1.238 1.00 0.00 H ATOM 14 2HB ASP A 1 1.690 -0.251 -2.128 1.00 0.00 H ATOM 15 N SER A 2 2.699 1.782 1.076 1.00 0.00 N ATOM 16 CA SER A 2 3.251 3.124 1.218 1.00 0.00 C ATOM 17 C SER A 2 4.252 3.427 0.111 1.00 0.00 C ATOM 18 O SER A 2 4.343 4.558 -0.365 1.00 0.00 O ATOM 19 CB SER A 2 3.918 3.274 2.571 1.00 0.00 C ATOM 20 OG SER A 2 2.976 3.206 3.606 1.00 0.00 O ATOM 21 H SER A 2 2.844 1.110 1.816 1.00 0.00 H ATOM 22 HA SER A 2 2.433 3.843 1.155 1.00 0.00 H ATOM 23 1HB SER A 2 4.661 2.488 2.699 1.00 0.00 H ATOM 24 2HB SER A 2 4.441 4.229 2.614 1.00 0.00 H ATOM 25 HG SER A 2 2.953 4.081 4.001 1.00 0.00 H ATOM 26 N GLU A 3 5.004 2.409 -0.295 1.00 0.00 N ATOM 27 CA GLU A 3 6.033 2.575 -1.314 1.00 0.00 C ATOM 28 C GLU A 3 5.418 2.873 -2.675 1.00 0.00 C ATOM 29 O GLU A 3 5.979 3.630 -3.468 1.00 0.00 O ATOM 30 CB GLU A 3 6.905 1.320 -1.401 1.00 0.00 C ATOM 31 CG GLU A 3 7.767 1.066 -0.173 1.00 0.00 C ATOM 32 CD GLU A 3 8.724 2.190 0.112 1.00 0.00 C ATOM 33 OE1 GLU A 3 9.422 2.594 -0.787 1.00 0.00 O ATOM 34 OE2 GLU A 3 8.758 2.646 1.231 1.00 0.00 O ATOM 35 H GLU A 3 4.857 1.496 0.112 1.00 0.00 H ATOM 36 HA GLU A 3 6.672 3.411 -1.028 1.00 0.00 H ATOM 37 1HB GLU A 3 6.270 0.446 -1.551 1.00 0.00 H ATOM 38 2HB GLU A 3 7.566 1.395 -2.264 1.00 0.00 H ATOM 39 1HG GLU A 3 7.118 0.929 0.692 1.00 0.00 H ATOM 40 2HG GLU A 3 8.329 0.145 -0.320 1.00 0.00 H ATOM 41 N GLN A 4 4.263 2.274 -2.941 1.00 0.00 N ATOM 42 CA GLN A 4 3.501 2.579 -4.146 1.00 0.00 C ATOM 43 C GLN A 4 2.965 4.005 -4.113 1.00 0.00 C ATOM 44 O GLN A 4 2.977 4.706 -5.125 1.00 0.00 O ATOM 45 CB GLN A 4 2.344 1.590 -4.314 1.00 0.00 C ATOM 46 CG GLN A 4 1.551 1.771 -5.596 1.00 0.00 C ATOM 47 CD GLN A 4 2.390 1.523 -6.836 1.00 0.00 C ATOM 48 OE1 GLN A 4 3.136 0.543 -6.911 1.00 0.00 O ATOM 49 NE2 GLN A 4 2.272 2.411 -7.816 1.00 0.00 N ATOM 50 H GLN A 4 3.903 1.589 -2.291 1.00 0.00 H ATOM 51 HA GLN A 4 4.160 2.473 -5.008 1.00 0.00 H ATOM 52 1HB GLN A 4 2.731 0.571 -4.299 1.00 0.00 H ATOM 53 2HB GLN A 4 1.655 1.691 -3.475 1.00 0.00 H ATOM 54 1HG GLN A 4 0.719 1.067 -5.600 1.00 0.00 H ATOM 55 2HG GLN A 4 1.174 2.794 -5.637 1.00 0.00 H ATOM 56 1HE2 GLN A 4 2.801 2.300 -8.658 1.00 0.00 H ATOM 57 2HE2 GLN A 4 1.655 3.192 -7.713 1.00 0.00 H ATOM 58 N LEU A 5 2.496 4.428 -2.944 1.00 0.00 N ATOM 59 CA LEU A 5 1.998 5.787 -2.765 1.00 0.00 C ATOM 60 C LEU A 5 3.100 6.812 -2.996 1.00 0.00 C ATOM 61 O LEU A 5 2.853 7.895 -3.528 1.00 0.00 O ATOM 62 CB LEU A 5 1.419 5.958 -1.355 1.00 0.00 C ATOM 63 CG LEU A 5 0.105 5.215 -1.081 1.00 0.00 C ATOM 64 CD1 LEU A 5 -0.254 5.345 0.393 1.00 0.00 C ATOM 65 CD2 LEU A 5 -0.994 5.784 -1.965 1.00 0.00 C ATOM 66 H LEU A 5 2.484 3.793 -2.159 1.00 0.00 H ATOM 67 HA LEU A 5 1.201 5.961 -3.489 1.00 0.00 H ATOM 68 1HB LEU A 5 2.155 5.607 -0.633 1.00 0.00 H ATOM 69 2HB LEU A 5 1.243 7.019 -1.178 1.00 0.00 H ATOM 70 HG LEU A 5 0.234 4.154 -1.300 1.00 0.00 H ATOM 71 1HD1 LEU A 5 -1.188 4.817 0.588 1.00 0.00 H ATOM 72 2HD1 LEU A 5 0.540 4.913 1.001 1.00 0.00 H ATOM 73 3HD1 LEU A 5 -0.374 6.398 0.646 1.00 0.00 H ATOM 74 1HD2 LEU A 5 -1.928 5.255 -1.770 1.00 0.00 H ATOM 75 2HD2 LEU A 5 -1.125 6.844 -1.746 1.00 0.00 H ATOM 76 3HD2 LEU A 5 -0.719 5.661 -3.012 1.00 0.00 H ATOM 77 N LYS A 6 4.318 6.466 -2.593 1.00 0.00 N ATOM 78 CA LYS A 6 5.483 7.296 -2.873 1.00 0.00 C ATOM 79 C LYS A 6 5.666 7.502 -4.371 1.00 0.00 C ATOM 80 O LYS A 6 5.970 8.606 -4.823 1.00 0.00 O ATOM 81 CB LYS A 6 6.743 6.673 -2.270 1.00 0.00 C ATOM 82 CG LYS A 6 6.820 6.756 -0.751 1.00 0.00 C ATOM 83 CD LYS A 6 8.056 6.044 -0.222 1.00 0.00 C ATOM 84 CE LYS A 6 8.132 6.119 1.296 1.00 0.00 C ATOM 85 NZ LYS A 6 9.286 5.350 1.835 1.00 0.00 N ATOM 86 H LYS A 6 4.440 5.604 -2.080 1.00 0.00 H ATOM 87 HA LYS A 6 5.336 8.269 -2.402 1.00 0.00 H ATOM 88 1HB LYS A 6 6.798 5.621 -2.551 1.00 0.00 H ATOM 89 2HB LYS A 6 7.625 7.168 -2.677 1.00 0.00 H ATOM 90 1HG LYS A 6 6.855 7.802 -0.445 1.00 0.00 H ATOM 91 2HG LYS A 6 5.933 6.297 -0.316 1.00 0.00 H ATOM 92 1HD LYS A 6 8.031 4.996 -0.524 1.00 0.00 H ATOM 93 2HD LYS A 6 8.950 6.504 -0.643 1.00 0.00 H ATOM 94 1HE LYS A 6 8.229 7.159 1.604 1.00 0.00 H ATOM 95 2HE LYS A 6 7.213 5.721 1.727 1.00 0.00 H ATOM 96 1HZ LYS A 6 9.300 5.425 2.842 1.00 0.00 H ATOM 97 2HZ LYS A 6 9.196 4.379 1.571 1.00 0.00 H ATOM 98 3HZ LYS A 6 10.145 5.723 1.458 1.00 0.00 H ATOM 99 N GLU A 7 5.479 6.433 -5.137 1.00 0.00 N ATOM 100 CA GLU A 7 5.576 6.505 -6.590 1.00 0.00 C ATOM 101 C GLU A 7 4.400 7.269 -7.184 1.00 0.00 C ATOM 102 O GLU A 7 4.546 7.974 -8.183 1.00 0.00 O ATOM 103 CB GLU A 7 5.640 5.099 -7.191 1.00 0.00 C ATOM 104 CG GLU A 7 6.919 4.337 -6.875 1.00 0.00 C ATOM 105 CD GLU A 7 8.152 5.029 -7.385 1.00 0.00 C ATOM 106 OE1 GLU A 7 8.167 5.407 -8.532 1.00 0.00 O ATOM 107 OE2 GLU A 7 9.081 5.180 -6.627 1.00 0.00 O ATOM 108 H GLU A 7 5.263 5.548 -4.702 1.00 0.00 H ATOM 109 HA GLU A 7 6.499 7.026 -6.850 1.00 0.00 H ATOM 110 1HB GLU A 7 4.800 4.508 -6.824 1.00 0.00 H ATOM 111 2HB GLU A 7 5.546 5.162 -8.275 1.00 0.00 H ATOM 112 1HG GLU A 7 7.003 4.220 -5.795 1.00 0.00 H ATOM 113 2HG GLU A 7 6.856 3.344 -7.317 1.00 0.00 H ATOM 114 N GLU A 8 3.234 7.125 -6.565 1.00 0.00 N ATOM 115 CA GLU A 8 2.048 7.865 -6.981 1.00 0.00 C ATOM 116 C GLU A 8 2.199 9.353 -6.696 1.00 0.00 C ATOM 117 O GLU A 8 1.698 10.192 -7.444 1.00 0.00 O ATOM 118 CB GLU A 8 0.805 7.323 -6.272 1.00 0.00 C ATOM 119 CG GLU A 8 0.412 5.911 -6.683 1.00 0.00 C ATOM 120 CD GLU A 8 0.157 5.781 -8.159 1.00 0.00 C ATOM 121 OE1 GLU A 8 -0.533 6.612 -8.699 1.00 0.00 O ATOM 122 OE2 GLU A 8 0.654 4.850 -8.748 1.00 0.00 O ATOM 123 H GLU A 8 3.167 6.486 -5.785 1.00 0.00 H ATOM 124 HA GLU A 8 1.914 7.726 -8.055 1.00 0.00 H ATOM 125 1HB GLU A 8 0.972 7.323 -5.195 1.00 0.00 H ATOM 126 2HB GLU A 8 -0.043 7.978 -6.473 1.00 0.00 H ATOM 127 1HG GLU A 8 1.211 5.226 -6.403 1.00 0.00 H ATOM 128 2HG GLU A 8 -0.485 5.622 -6.138 1.00 0.00 H ATOM 129 N ALA A 9 2.893 9.675 -5.609 1.00 0.00 N ATOM 130 CA ALA A 9 3.230 11.058 -5.297 1.00 0.00 C ATOM 131 C ALA A 9 4.150 11.654 -6.355 1.00 0.00 C ATOM 132 O ALA A 9 3.986 12.806 -6.757 1.00 0.00 O ATOM 133 CB ALA A 9 3.877 11.149 -3.923 1.00 0.00 C ATOM 134 H ALA A 9 3.196 8.942 -4.984 1.00 0.00 H ATOM 135 HA ALA A 9 2.309 11.641 -5.267 1.00 0.00 H ATOM 136 1HB ALA A 9 4.123 12.188 -3.704 1.00 0.00 H ATOM 137 2HB ALA A 9 3.185 10.773 -3.169 1.00 0.00 H ATOM 138 3HB ALA A 9 4.787 10.551 -3.909 1.00 0.00 H ATOM 139 N LYS A 10 5.118 10.862 -6.804 1.00 0.00 N ATOM 140 CA LYS A 10 5.991 11.265 -7.900 1.00 0.00 C ATOM 141 C LYS A 10 5.187 11.596 -9.151 1.00 0.00 C ATOM 142 O LYS A 10 5.465 12.580 -9.836 1.00 0.00 O ATOM 143 CB LYS A 10 7.010 10.165 -8.205 1.00 0.00 C ATOM 144 CG LYS A 10 8.076 9.980 -7.134 1.00 0.00 C ATOM 145 CD LYS A 10 9.010 8.829 -7.476 1.00 0.00 C ATOM 146 CE LYS A 10 10.030 8.596 -6.372 1.00 0.00 C ATOM 147 NZ LYS A 10 10.889 7.412 -6.648 1.00 0.00 N ATOM 148 H LYS A 10 5.253 9.958 -6.374 1.00 0.00 H ATOM 149 HA LYS A 10 6.544 12.154 -7.594 1.00 0.00 H ATOM 150 1HB LYS A 10 6.492 9.214 -8.329 1.00 0.00 H ATOM 151 2HB LYS A 10 7.515 10.388 -9.145 1.00 0.00 H ATOM 152 1HG LYS A 10 8.661 10.896 -7.041 1.00 0.00 H ATOM 153 2HG LYS A 10 7.598 9.777 -6.176 1.00 0.00 H ATOM 154 1HD LYS A 10 8.427 7.918 -7.619 1.00 0.00 H ATOM 155 2HD LYS A 10 9.537 9.051 -8.404 1.00 0.00 H ATOM 156 1HE LYS A 10 10.666 9.475 -6.273 1.00 0.00 H ATOM 157 2HE LYS A 10 9.513 8.441 -5.425 1.00 0.00 H ATOM 158 1HZ LYS A 10 11.550 7.292 -5.895 1.00 0.00 H ATOM 159 2HZ LYS A 10 10.311 6.587 -6.724 1.00 0.00 H ATOM 160 3HZ LYS A 10 11.388 7.553 -7.515 1.00 0.00 H ATOM 161 N LYS A 11 4.190 10.769 -9.443 1.00 0.00 N ATOM 162 CA LYS A 11 3.301 11.009 -10.574 1.00 0.00 C ATOM 163 C LYS A 11 2.564 12.334 -10.423 1.00 0.00 C ATOM 164 O LYS A 11 2.506 13.133 -11.357 1.00 0.00 O ATOM 165 CB LYS A 11 2.298 9.863 -10.720 1.00 0.00 C ATOM 166 CG LYS A 11 2.912 8.545 -11.173 1.00 0.00 C ATOM 167 CD LYS A 11 1.871 7.436 -11.213 1.00 0.00 C ATOM 168 CE LYS A 11 2.500 6.098 -11.571 1.00 0.00 C ATOM 169 NZ LYS A 11 1.512 4.987 -11.520 1.00 0.00 N ATOM 170 H LYS A 11 4.043 9.952 -8.867 1.00 0.00 H ATOM 171 HA LYS A 11 3.901 11.044 -11.484 1.00 0.00 H ATOM 172 1HB LYS A 11 1.801 9.691 -9.766 1.00 0.00 H ATOM 173 2HB LYS A 11 1.532 10.141 -11.444 1.00 0.00 H ATOM 174 1HG LYS A 11 3.341 8.666 -12.168 1.00 0.00 H ATOM 175 2HG LYS A 11 3.708 8.259 -10.486 1.00 0.00 H ATOM 176 1HD LYS A 11 1.389 7.353 -10.238 1.00 0.00 H ATOM 177 2HD LYS A 11 1.110 7.679 -11.955 1.00 0.00 H ATOM 178 1HE LYS A 11 2.919 6.149 -12.575 1.00 0.00 H ATOM 179 2HE LYS A 11 3.310 5.879 -10.875 1.00 0.00 H ATOM 180 1HZ LYS A 11 1.967 4.118 -11.762 1.00 0.00 H ATOM 181 2HZ LYS A 11 1.130 4.917 -10.586 1.00 0.00 H ATOM 182 3HZ LYS A 11 0.765 5.169 -12.175 1.00 0.00 H ATOM 183 N ALA A 12 2.002 12.561 -9.240 1.00 0.00 N ATOM 184 CA ALA A 12 1.269 13.791 -8.964 1.00 0.00 C ATOM 185 C ALA A 12 2.158 15.015 -9.146 1.00 0.00 C ATOM 186 O ALA A 12 1.740 16.017 -9.726 1.00 0.00 O ATOM 187 CB ALA A 12 0.693 13.760 -7.556 1.00 0.00 C ATOM 188 H ALA A 12 2.085 11.864 -8.514 1.00 0.00 H ATOM 189 HA ALA A 12 0.433 13.860 -9.661 1.00 0.00 H ATOM 190 1HB ALA A 12 0.149 14.685 -7.365 1.00 0.00 H ATOM 191 2HB ALA A 12 0.014 12.912 -7.459 1.00 0.00 H ATOM 192 3HB ALA A 12 1.503 13.660 -6.834 1.00 0.00 H ATOM 193 N TYR A 13 3.386 14.927 -8.646 1.00 0.00 N ATOM 194 CA TYR A 13 4.356 16.004 -8.804 1.00 0.00 C ATOM 195 C TYR A 13 4.646 16.272 -10.275 1.00 0.00 C ATOM 196 O TYR A 13 4.666 17.422 -10.714 1.00 0.00 O ATOM 197 CB TYR A 13 5.652 15.670 -8.061 1.00 0.00 C ATOM 198 CG TYR A 13 6.668 16.791 -8.072 1.00 0.00 C ATOM 199 CD1 TYR A 13 6.751 17.663 -6.997 1.00 0.00 C ATOM 200 CD2 TYR A 13 7.516 16.946 -9.158 1.00 0.00 C ATOM 201 CE1 TYR A 13 7.679 18.687 -7.007 1.00 0.00 C ATOM 202 CE2 TYR A 13 8.444 17.970 -9.169 1.00 0.00 C ATOM 203 CZ TYR A 13 8.527 18.837 -8.099 1.00 0.00 C ATOM 204 OH TYR A 13 9.451 19.857 -8.110 1.00 0.00 O ATOM 205 H TYR A 13 3.654 14.093 -8.143 1.00 0.00 H ATOM 206 HA TYR A 13 3.944 16.909 -8.358 1.00 0.00 H ATOM 207 1HB TYR A 13 5.423 15.429 -7.022 1.00 0.00 H ATOM 208 2HB TYR A 13 6.112 14.790 -8.508 1.00 0.00 H ATOM 209 HD1 TYR A 13 6.084 17.541 -6.143 1.00 0.00 H ATOM 210 HD2 TYR A 13 7.450 16.262 -10.004 1.00 0.00 H ATOM 211 HE1 TYR A 13 7.744 19.372 -6.163 1.00 0.00 H ATOM 212 HE2 TYR A 13 9.110 18.092 -10.023 1.00 0.00 H ATOM 213 HH TYR A 13 9.945 19.831 -8.933 1.00 0.00 H ATOM 214 N LYS A 14 4.869 15.205 -11.034 1.00 0.00 N ATOM 215 CA LYS A 14 5.154 15.323 -12.459 1.00 0.00 C ATOM 216 C LYS A 14 3.960 15.896 -13.213 1.00 0.00 C ATOM 217 O LYS A 14 4.116 16.500 -14.274 1.00 0.00 O ATOM 218 CB LYS A 14 5.541 13.964 -13.042 1.00 0.00 C ATOM 219 CG LYS A 14 6.908 13.456 -12.601 1.00 0.00 C ATOM 220 CD LYS A 14 7.207 12.088 -13.194 1.00 0.00 C ATOM 221 CE LYS A 14 8.573 11.580 -12.757 1.00 0.00 C ATOM 222 NZ LYS A 14 8.881 10.243 -13.333 1.00 0.00 N ATOM 223 H LYS A 14 4.842 14.287 -10.612 1.00 0.00 H ATOM 224 HA LYS A 14 6.003 15.994 -12.588 1.00 0.00 H ATOM 225 1HB LYS A 14 4.799 13.219 -12.754 1.00 0.00 H ATOM 226 2HB LYS A 14 5.542 14.022 -14.131 1.00 0.00 H ATOM 227 1HG LYS A 14 7.678 14.158 -12.922 1.00 0.00 H ATOM 228 2HG LYS A 14 6.936 13.386 -11.514 1.00 0.00 H ATOM 229 1HD LYS A 14 6.444 11.377 -12.873 1.00 0.00 H ATOM 230 2HD LYS A 14 7.185 12.150 -14.282 1.00 0.00 H ATOM 231 1HE LYS A 14 9.341 12.284 -13.074 1.00 0.00 H ATOM 232 2HE LYS A 14 8.604 11.509 -11.670 1.00 0.00 H ATOM 233 1HZ LYS A 14 9.793 9.943 -13.019 1.00 0.00 H ATOM 234 2HZ LYS A 14 8.184 9.577 -13.029 1.00 0.00 H ATOM 235 3HZ LYS A 14 8.875 10.301 -14.341 1.00 0.00 H ATOM 236 N ASN A 15 2.768 15.702 -12.659 1.00 0.00 N ATOM 237 CA ASN A 15 1.546 16.207 -13.273 1.00 0.00 C ATOM 238 C ASN A 15 1.293 17.658 -12.881 1.00 0.00 C ATOM 239 O ASN A 15 0.277 18.243 -13.257 1.00 0.00 O ATOM 240 CB ASN A 15 0.361 15.338 -12.897 1.00 0.00 C ATOM 241 CG ASN A 15 0.400 13.990 -13.561 1.00 0.00 C ATOM 242 OD1 ASN A 15 0.924 13.846 -14.672 1.00 0.00 O ATOM 243 ND2 ASN A 15 -0.145 12.998 -12.903 1.00 0.00 N ATOM 244 H ASN A 15 2.707 15.190 -11.790 1.00 0.00 H ATOM 245 HA ASN A 15 1.660 16.163 -14.356 1.00 0.00 H ATOM 246 1HB ASN A 15 0.340 15.197 -11.816 1.00 0.00 H ATOM 247 2HB ASN A 15 -0.564 15.842 -13.179 1.00 0.00 H ATOM 248 1HD2 ASN A 15 -0.148 12.078 -13.296 1.00 0.00 H ATOM 249 2HD2 ASN A 15 -0.558 13.160 -12.007 1.00 0.00 H ATOM 250 N GLY A 16 2.222 18.232 -12.125 1.00 0.00 N ATOM 251 CA GLY A 16 2.138 19.637 -11.742 1.00 0.00 C ATOM 252 C GLY A 16 1.293 19.816 -10.488 1.00 0.00 C ATOM 253 O GLY A 16 0.666 20.857 -10.294 1.00 0.00 O ATOM 254 H GLY A 16 3.007 17.682 -11.807 1.00 0.00 H ATOM 255 1HA GLY A 16 3.141 20.027 -11.569 1.00 0.00 H ATOM 256 2HA GLY A 16 1.706 20.211 -12.561 1.00 0.00 H ATOM 257 N ASN A 17 1.279 18.794 -9.638 1.00 0.00 N ATOM 258 CA ASN A 17 0.512 18.838 -8.399 1.00 0.00 C ATOM 259 C ASN A 17 1.383 18.487 -7.200 1.00 0.00 C ATOM 260 O ASN A 17 1.235 17.420 -6.605 1.00 0.00 O ATOM 261 CB ASN A 17 -0.686 17.910 -8.480 1.00 0.00 C ATOM 262 CG ASN A 17 -1.636 18.288 -9.581 1.00 0.00 C ATOM 263 OD1 ASN A 17 -2.388 19.263 -9.463 1.00 0.00 O ATOM 264 ND2 ASN A 17 -1.619 17.535 -10.652 1.00 0.00 N ATOM 265 H ASN A 17 1.815 17.966 -9.857 1.00 0.00 H ATOM 266 HA ASN A 17 0.153 19.858 -8.250 1.00 0.00 H ATOM 267 1HB ASN A 17 -0.344 16.887 -8.646 1.00 0.00 H ATOM 268 2HB ASN A 17 -1.223 17.926 -7.531 1.00 0.00 H ATOM 269 1HD2 ASN A 17 -2.230 17.739 -11.417 1.00 0.00 H ATOM 270 2HD2 ASN A 17 -0.995 16.756 -10.705 1.00 0.00 H ATOM 271 N GLU A 18 2.291 19.391 -6.849 1.00 0.00 N ATOM 272 CA GLU A 18 3.177 19.185 -5.710 1.00 0.00 C ATOM 273 C GLU A 18 2.384 18.963 -4.428 1.00 0.00 C ATOM 274 O GLU A 18 2.695 18.069 -3.641 1.00 0.00 O ATOM 275 CB GLU A 18 4.115 20.383 -5.540 1.00 0.00 C ATOM 276 CG GLU A 18 5.090 20.258 -4.378 1.00 0.00 C ATOM 277 CD GLU A 18 5.978 21.461 -4.228 1.00 0.00 C ATOM 278 OE1 GLU A 18 5.910 22.335 -5.059 1.00 0.00 O ATOM 279 OE2 GLU A 18 6.727 21.508 -3.280 1.00 0.00 O ATOM 280 H GLU A 18 2.370 20.243 -7.386 1.00 0.00 H ATOM 281 HA GLU A 18 3.787 18.302 -5.901 1.00 0.00 H ATOM 282 1HB GLU A 18 4.696 20.523 -6.451 1.00 0.00 H ATOM 283 2HB GLU A 18 3.525 21.287 -5.385 1.00 0.00 H ATOM 284 1HG GLU A 18 4.526 20.120 -3.456 1.00 0.00 H ATOM 285 2HG GLU A 18 5.708 19.373 -4.530 1.00 0.00 H ATOM 286 N GLU A 19 1.357 19.782 -4.224 1.00 0.00 N ATOM 287 CA GLU A 19 0.498 19.656 -3.053 1.00 0.00 C ATOM 288 C GLU A 19 -0.097 18.257 -2.955 1.00 0.00 C ATOM 289 O GLU A 19 -0.032 17.617 -1.906 1.00 0.00 O ATOM 290 CB GLU A 19 -0.624 20.696 -3.101 1.00 0.00 C ATOM 291 CG GLU A 19 -1.595 20.626 -1.931 1.00 0.00 C ATOM 292 CD GLU A 19 -2.719 21.619 -2.044 1.00 0.00 C ATOM 293 OE1 GLU A 19 -2.579 22.564 -2.783 1.00 0.00 O ATOM 294 OE2 GLU A 19 -3.718 21.432 -1.390 1.00 0.00 O ATOM 295 H GLU A 19 1.168 20.510 -4.898 1.00 0.00 H ATOM 296 HA GLU A 19 1.097 19.844 -2.162 1.00 0.00 H ATOM 297 1HB GLU A 19 -0.192 21.696 -3.117 1.00 0.00 H ATOM 298 2HB GLU A 19 -1.197 20.571 -4.020 1.00 0.00 H ATOM 299 1HG GLU A 19 -2.017 19.622 -1.881 1.00 0.00 H ATOM 300 2HG GLU A 19 -1.048 20.807 -1.007 1.00 0.00 H ATOM 301 N LYS A 20 -0.678 17.788 -4.055 1.00 0.00 N ATOM 302 CA LYS A 20 -1.259 16.452 -4.103 1.00 0.00 C ATOM 303 C LYS A 20 -0.225 15.388 -3.755 1.00 0.00 C ATOM 304 O LYS A 20 -0.510 14.453 -3.007 1.00 0.00 O ATOM 305 CB LYS A 20 -1.852 16.176 -5.486 1.00 0.00 C ATOM 306 CG LYS A 20 -2.528 14.818 -5.621 1.00 0.00 C ATOM 307 CD LYS A 20 -3.156 14.647 -6.996 1.00 0.00 C ATOM 308 CE LYS A 20 -3.807 13.280 -7.143 1.00 0.00 C ATOM 309 NZ LYS A 20 -4.461 13.114 -8.469 1.00 0.00 N ATOM 310 H LYS A 20 -0.717 18.372 -4.878 1.00 0.00 H ATOM 311 HA LYS A 20 -2.071 16.401 -3.377 1.00 0.00 H ATOM 312 1HB LYS A 20 -2.590 16.942 -5.725 1.00 0.00 H ATOM 313 2HB LYS A 20 -1.065 16.234 -6.238 1.00 0.00 H ATOM 314 1HG LYS A 20 -1.793 14.028 -5.466 1.00 0.00 H ATOM 315 2HG LYS A 20 -3.304 14.721 -4.862 1.00 0.00 H ATOM 316 1HD LYS A 20 -3.912 15.419 -7.150 1.00 0.00 H ATOM 317 2HD LYS A 20 -2.389 14.757 -7.762 1.00 0.00 H ATOM 318 1HE LYS A 20 -3.052 12.503 -7.024 1.00 0.00 H ATOM 319 2HE LYS A 20 -4.557 13.148 -6.363 1.00 0.00 H ATOM 320 1HZ LYS A 20 -4.880 12.196 -8.526 1.00 0.00 H ATOM 321 2HZ LYS A 20 -5.177 13.818 -8.582 1.00 0.00 H ATOM 322 3HZ LYS A 20 -3.772 13.214 -9.200 1.00 0.00 H ATOM 323 N ALA A 21 0.976 15.536 -4.303 1.00 0.00 N ATOM 324 CA ALA A 21 2.069 14.615 -4.014 1.00 0.00 C ATOM 325 C ALA A 21 2.358 14.556 -2.519 1.00 0.00 C ATOM 326 O ALA A 21 2.547 13.478 -1.956 1.00 0.00 O ATOM 327 CB ALA A 21 3.320 15.021 -4.779 1.00 0.00 C ATOM 328 H ALA A 21 1.137 16.307 -4.936 1.00 0.00 H ATOM 329 HA ALA A 21 1.781 13.620 -4.354 1.00 0.00 H ATOM 330 1HB ALA A 21 4.127 14.324 -4.553 1.00 0.00 H ATOM 331 2HB ALA A 21 3.114 15.002 -5.849 1.00 0.00 H ATOM 332 3HB ALA A 21 3.616 16.026 -4.485 1.00 0.00 H ATOM 333 N LYS A 22 2.392 15.721 -1.882 1.00 0.00 N ATOM 334 CA LYS A 22 2.636 15.802 -0.446 1.00 0.00 C ATOM 335 C LYS A 22 1.512 15.142 0.342 1.00 0.00 C ATOM 336 O LYS A 22 1.755 14.472 1.345 1.00 0.00 O ATOM 337 CB LYS A 22 2.797 17.260 -0.012 1.00 0.00 C ATOM 338 CG LYS A 22 4.089 17.916 -0.480 1.00 0.00 C ATOM 339 CD LYS A 22 4.160 19.372 -0.043 1.00 0.00 C ATOM 340 CE LYS A 22 5.450 20.029 -0.511 1.00 0.00 C ATOM 341 NZ LYS A 22 5.496 21.475 -0.160 1.00 0.00 N ATOM 342 H LYS A 22 2.244 16.572 -2.404 1.00 0.00 H ATOM 343 HA LYS A 22 3.570 15.284 -0.225 1.00 0.00 H ATOM 344 1HB LYS A 22 1.964 17.849 -0.397 1.00 0.00 H ATOM 345 2HB LYS A 22 2.766 17.321 1.076 1.00 0.00 H ATOM 346 1HG LYS A 22 4.942 17.379 -0.063 1.00 0.00 H ATOM 347 2HG LYS A 22 4.149 17.868 -1.567 1.00 0.00 H ATOM 348 1HD LYS A 22 3.312 19.918 -0.459 1.00 0.00 H ATOM 349 2HD LYS A 22 4.108 19.428 1.044 1.00 0.00 H ATOM 350 1HE LYS A 22 6.300 19.529 -0.050 1.00 0.00 H ATOM 351 2HE LYS A 22 5.538 19.928 -1.592 1.00 0.00 H ATOM 352 1HZ LYS A 22 6.365 21.873 -0.487 1.00 0.00 H ATOM 353 2HZ LYS A 22 4.721 21.953 -0.598 1.00 0.00 H ATOM 354 3HZ LYS A 22 5.434 21.581 0.842 1.00 0.00 H ATOM 355 N ARG A 23 0.281 15.335 -0.119 1.00 0.00 N ATOM 356 CA ARG A 23 -0.881 14.733 0.524 1.00 0.00 C ATOM 357 C ARG A 23 -0.839 13.213 0.426 1.00 0.00 C ATOM 358 O ARG A 23 -1.181 12.510 1.376 1.00 0.00 O ATOM 359 CB ARG A 23 -2.168 15.243 -0.109 1.00 0.00 C ATOM 360 CG ARG A 23 -2.503 16.693 0.204 1.00 0.00 C ATOM 361 CD ARG A 23 -3.765 17.118 -0.453 1.00 0.00 C ATOM 362 NE ARG A 23 -4.057 18.522 -0.209 1.00 0.00 N ATOM 363 CZ ARG A 23 -4.681 18.994 0.888 1.00 0.00 C ATOM 364 NH1 ARG A 23 -5.071 18.164 1.830 1.00 0.00 N ATOM 365 NH2 ARG A 23 -4.901 20.291 1.017 1.00 0.00 N ATOM 366 H ARG A 23 0.146 15.915 -0.935 1.00 0.00 H ATOM 367 HA ARG A 23 -0.879 15.015 1.577 1.00 0.00 H ATOM 368 1HB ARG A 23 -2.104 15.145 -1.191 1.00 0.00 H ATOM 369 2HB ARG A 23 -3.005 14.631 0.227 1.00 0.00 H ATOM 370 1HG ARG A 23 -2.618 16.816 1.281 1.00 0.00 H ATOM 371 2HG ARG A 23 -1.697 17.337 -0.151 1.00 0.00 H ATOM 372 1HD ARG A 23 -3.683 16.970 -1.529 1.00 0.00 H ATOM 373 2HD ARG A 23 -4.594 16.526 -0.067 1.00 0.00 H ATOM 374 HE ARG A 23 -3.772 19.191 -0.912 1.00 0.00 H ATOM 375 1HH1 ARG A 23 -4.904 17.173 1.732 1.00 0.00 H ATOM 376 2HH1 ARG A 23 -5.539 18.518 2.652 1.00 0.00 H ATOM 377 1HH2 ARG A 23 -4.600 20.929 0.292 1.00 0.00 H ATOM 378 2HH2 ARG A 23 -5.368 20.644 1.839 1.00 0.00 H ATOM 379 N ILE A 24 -0.416 12.712 -0.730 1.00 0.00 N ATOM 380 CA ILE A 24 -0.250 11.277 -0.927 1.00 0.00 C ATOM 381 C ILE A 24 0.828 10.715 -0.010 1.00 0.00 C ATOM 382 O ILE A 24 0.648 9.664 0.605 1.00 0.00 O ATOM 383 CB ILE A 24 0.106 10.961 -2.392 1.00 0.00 C ATOM 384 CG1 ILE A 24 -1.076 11.286 -3.310 1.00 0.00 C ATOM 385 CG2 ILE A 24 0.513 9.503 -2.538 1.00 0.00 C ATOM 386 CD1 ILE A 24 -0.722 11.294 -4.780 1.00 0.00 C ATOM 387 H ILE A 24 -0.204 13.341 -1.491 1.00 0.00 H ATOM 388 HA ILE A 24 -1.196 10.784 -0.697 1.00 0.00 H ATOM 389 HB ILE A 24 0.934 11.593 -2.709 1.00 0.00 H ATOM 390 1HG1 ILE A 24 -1.869 10.556 -3.153 1.00 0.00 H ATOM 391 2HG1 ILE A 24 -1.479 12.265 -3.052 1.00 0.00 H ATOM 392 1HG2 ILE A 24 0.760 9.297 -3.579 1.00 0.00 H ATOM 393 2HG2 ILE A 24 1.382 9.304 -1.912 1.00 0.00 H ATOM 394 3HG2 ILE A 24 -0.313 8.862 -2.227 1.00 0.00 H ATOM 395 1HD1 ILE A 24 -1.610 11.532 -5.366 1.00 0.00 H ATOM 396 2HD1 ILE A 24 0.047 12.044 -4.965 1.00 0.00 H ATOM 397 3HD1 ILE A 24 -0.350 10.312 -5.069 1.00 0.00 H ATOM 398 N LEU A 25 1.950 11.423 0.079 1.00 0.00 N ATOM 399 CA LEU A 25 3.047 11.013 0.947 1.00 0.00 C ATOM 400 C LEU A 25 2.625 11.019 2.410 1.00 0.00 C ATOM 401 O LEU A 25 3.046 10.166 3.191 1.00 0.00 O ATOM 402 CB LEU A 25 4.252 11.941 0.751 1.00 0.00 C ATOM 403 CG LEU A 25 4.963 11.833 -0.604 1.00 0.00 C ATOM 404 CD1 LEU A 25 5.947 12.986 -0.755 1.00 0.00 C ATOM 405 CD2 LEU A 25 5.674 10.492 -0.699 1.00 0.00 C ATOM 406 H LEU A 25 2.044 12.266 -0.468 1.00 0.00 H ATOM 407 HA LEU A 25 3.345 9.999 0.673 1.00 0.00 H ATOM 408 1HB LEU A 25 3.920 12.971 0.870 1.00 0.00 H ATOM 409 2HB LEU A 25 4.986 11.727 1.528 1.00 0.00 H ATOM 410 HG LEU A 25 4.230 11.913 -1.407 1.00 0.00 H ATOM 411 1HD1 LEU A 25 6.451 12.909 -1.719 1.00 0.00 H ATOM 412 2HD1 LEU A 25 5.409 13.932 -0.703 1.00 0.00 H ATOM 413 3HD1 LEU A 25 6.684 12.942 0.045 1.00 0.00 H ATOM 414 1HD2 LEU A 25 6.178 10.414 -1.663 1.00 0.00 H ATOM 415 2HD2 LEU A 25 6.408 10.411 0.102 1.00 0.00 H ATOM 416 3HD2 LEU A 25 4.945 9.686 -0.606 1.00 0.00 H ATOM 417 N LYS A 26 1.792 11.987 2.776 1.00 0.00 N ATOM 418 CA LYS A 26 1.195 12.022 4.105 1.00 0.00 C ATOM 419 C LYS A 26 0.341 10.787 4.359 1.00 0.00 C ATOM 420 O LYS A 26 0.402 10.187 5.432 1.00 0.00 O ATOM 421 CB LYS A 26 0.354 13.288 4.282 1.00 0.00 C ATOM 422 CG LYS A 26 -0.235 13.462 5.675 1.00 0.00 C ATOM 423 CD LYS A 26 -0.952 14.798 5.809 1.00 0.00 C ATOM 424 CE LYS A 26 -1.540 14.975 7.201 1.00 0.00 C ATOM 425 NZ LYS A 26 -2.201 16.298 7.362 1.00 0.00 N ATOM 426 H LYS A 26 1.566 12.717 2.116 1.00 0.00 H ATOM 427 HA LYS A 26 1.997 12.051 4.844 1.00 0.00 H ATOM 428 1HB LYS A 26 0.965 14.164 4.065 1.00 0.00 H ATOM 429 2HB LYS A 26 -0.471 13.279 3.569 1.00 0.00 H ATOM 430 1HG LYS A 26 -0.944 12.658 5.874 1.00 0.00 H ATOM 431 2HG LYS A 26 0.562 13.411 6.416 1.00 0.00 H ATOM 432 1HD LYS A 26 -0.249 15.609 5.615 1.00 0.00 H ATOM 433 2HD LYS A 26 -1.756 14.854 5.076 1.00 0.00 H ATOM 434 1HE LYS A 26 -2.272 14.191 7.389 1.00 0.00 H ATOM 435 2HE LYS A 26 -0.748 14.886 7.945 1.00 0.00 H ATOM 436 1HZ LYS A 26 -2.576 16.376 8.297 1.00 0.00 H ATOM 437 2HZ LYS A 26 -1.525 17.033 7.209 1.00 0.00 H ATOM 438 3HZ LYS A 26 -2.950 16.384 6.691 1.00 0.00 H ATOM 439 N LYS A 27 -0.456 10.410 3.364 1.00 0.00 N ATOM 440 CA LYS A 27 -1.278 9.210 3.454 1.00 0.00 C ATOM 441 C LYS A 27 -0.416 7.956 3.538 1.00 0.00 C ATOM 442 O LYS A 27 -0.829 6.945 4.105 1.00 0.00 O ATOM 443 CB LYS A 27 -2.225 9.118 2.256 1.00 0.00 C ATOM 444 CG LYS A 27 -3.344 10.150 2.258 1.00 0.00 C ATOM 445 CD LYS A 27 -4.210 10.028 1.013 1.00 0.00 C ATOM 446 CE LYS A 27 -5.323 11.066 1.008 1.00 0.00 C ATOM 447 NZ LYS A 27 -6.166 10.973 -0.214 1.00 0.00 N ATOM 448 H LYS A 27 -0.492 10.970 2.524 1.00 0.00 H ATOM 449 HA LYS A 27 -1.889 9.275 4.355 1.00 0.00 H ATOM 450 1HB LYS A 27 -1.657 9.242 1.333 1.00 0.00 H ATOM 451 2HB LYS A 27 -2.682 8.128 2.228 1.00 0.00 H ATOM 452 1HG LYS A 27 -3.969 10.008 3.140 1.00 0.00 H ATOM 453 2HG LYS A 27 -2.916 11.151 2.296 1.00 0.00 H ATOM 454 1HD LYS A 27 -3.593 10.166 0.125 1.00 0.00 H ATOM 455 2HD LYS A 27 -4.654 9.034 0.975 1.00 0.00 H ATOM 456 1HE LYS A 27 -5.956 10.924 1.883 1.00 0.00 H ATOM 457 2HE LYS A 27 -4.890 12.065 1.060 1.00 0.00 H ATOM 458 1HZ LYS A 27 -6.890 11.677 -0.179 1.00 0.00 H ATOM 459 2HZ LYS A 27 -5.591 11.122 -1.032 1.00 0.00 H ATOM 460 3HZ LYS A 27 -6.589 10.057 -0.263 1.00 0.00 H ATOM 461 N ALA A 28 0.782 8.030 2.969 1.00 0.00 N ATOM 462 CA ALA A 28 1.722 6.916 3.016 1.00 0.00 C ATOM 463 C ALA A 28 2.249 6.698 4.429 1.00 0.00 C ATOM 464 O ALA A 28 2.812 5.648 4.736 1.00 0.00 O ATOM 465 CB ALA A 28 2.875 7.154 2.052 1.00 0.00 C ATOM 466 H ALA A 28 1.050 8.879 2.493 1.00 0.00 H ATOM 467 HA ALA A 28 1.202 6.012 2.700 1.00 0.00 H ATOM 468 1HB ALA A 28 3.568 6.314 2.098 1.00 0.00 H ATOM 469 2HB ALA A 28 2.487 7.250 1.038 1.00 0.00 H ATOM 470 3HB ALA A 28 3.396 8.069 2.329 1.00 0.00 H ATOM 471 N GLY A 29 2.062 7.697 5.284 1.00 0.00 N ATOM 472 CA GLY A 29 2.451 7.588 6.685 1.00 0.00 C ATOM 473 C GLY A 29 3.645 8.482 6.997 1.00 0.00 C ATOM 474 O GLY A 29 4.335 8.285 7.997 1.00 0.00 O ATOM 475 H GLY A 29 1.640 8.554 4.956 1.00 0.00 H ATOM 476 1HA GLY A 29 1.609 7.866 7.319 1.00 0.00 H ATOM 477 2HA GLY A 29 2.698 6.552 6.915 1.00 0.00 H ATOM 478 N LEU A 30 3.882 9.465 6.135 1.00 0.00 N ATOM 479 CA LEU A 30 4.959 10.425 6.346 1.00 0.00 C ATOM 480 C LEU A 30 4.427 11.735 6.911 1.00 0.00 C ATOM 481 O LEU A 30 3.260 12.076 6.719 1.00 0.00 O ATOM 482 CB LEU A 30 5.697 10.691 5.027 1.00 0.00 C ATOM 483 CG LEU A 30 6.328 9.464 4.358 1.00 0.00 C ATOM 484 CD1 LEU A 30 6.948 9.873 3.028 1.00 0.00 C ATOM 485 CD2 LEU A 30 7.371 8.860 5.285 1.00 0.00 C ATOM 486 H LEU A 30 3.302 9.549 5.313 1.00 0.00 H ATOM 487 HA LEU A 30 5.663 10.002 7.062 1.00 0.00 H ATOM 488 1HB LEU A 30 4.995 11.131 4.320 1.00 0.00 H ATOM 489 2HB LEU A 30 6.492 11.413 5.214 1.00 0.00 H ATOM 490 HG LEU A 30 5.554 8.724 4.151 1.00 0.00 H ATOM 491 1HD1 LEU A 30 7.396 9.001 2.552 1.00 0.00 H ATOM 492 2HD1 LEU A 30 6.176 10.284 2.378 1.00 0.00 H ATOM 493 3HD1 LEU A 30 7.716 10.626 3.202 1.00 0.00 H ATOM 494 1HD2 LEU A 30 7.819 7.987 4.809 1.00 0.00 H ATOM 495 2HD2 LEU A 30 8.146 9.598 5.491 1.00 0.00 H ATOM 496 3HD2 LEU A 30 6.897 8.560 6.220 1.00 0.00 H ATOM 497 N ASP A 31 5.289 12.466 7.609 1.00 0.00 N ATOM 498 CA ASP A 31 4.966 13.817 8.052 1.00 0.00 C ATOM 499 C ASP A 31 4.874 14.776 6.873 1.00 0.00 C ATOM 500 O ASP A 31 5.435 14.520 5.807 1.00 0.00 O ATOM 501 CB ASP A 31 6.014 14.321 9.048 1.00 0.00 C ATOM 502 CG ASP A 31 5.579 15.585 9.777 1.00 0.00 C ATOM 503 OD1 ASP A 31 4.844 15.475 10.729 1.00 0.00 O ATOM 504 OD2 ASP A 31 5.987 16.648 9.375 1.00 0.00 O ATOM 505 H ASP A 31 6.192 12.076 7.839 1.00 0.00 H ATOM 506 HA ASP A 31 3.985 13.799 8.531 1.00 0.00 H ATOM 507 1HB ASP A 31 6.217 13.545 9.786 1.00 0.00 H ATOM 508 2HB ASP A 31 6.947 14.525 8.521 1.00 0.00 H ATOM 509 N GLU A 32 4.165 15.882 7.070 1.00 0.00 N ATOM 510 CA GLU A 32 4.022 16.896 6.031 1.00 0.00 C ATOM 511 C GLU A 32 5.374 17.476 5.638 1.00 0.00 C ATOM 512 O GLU A 32 5.614 17.779 4.469 1.00 0.00 O ATOM 513 CB GLU A 32 3.093 18.017 6.504 1.00 0.00 C ATOM 514 CG GLU A 32 1.633 17.607 6.642 1.00 0.00 C ATOM 515 CD GLU A 32 0.761 18.716 7.162 1.00 0.00 C ATOM 516 OE1 GLU A 32 1.281 19.764 7.463 1.00 0.00 O ATOM 517 OE2 GLU A 32 -0.427 18.516 7.257 1.00 0.00 O ATOM 518 H GLU A 32 3.713 16.025 7.962 1.00 0.00 H ATOM 519 HA GLU A 32 3.572 16.431 5.153 1.00 0.00 H ATOM 520 1HB GLU A 32 3.430 18.384 7.473 1.00 0.00 H ATOM 521 2HB GLU A 32 3.142 18.850 5.803 1.00 0.00 H ATOM 522 1HG GLU A 32 1.261 17.294 5.668 1.00 0.00 H ATOM 523 2HG GLU A 32 1.569 16.754 7.317 1.00 0.00 H ATOM 524 N SER A 33 6.255 17.629 6.620 1.00 0.00 N ATOM 525 CA SER A 33 7.602 18.129 6.371 1.00 0.00 C ATOM 526 C SER A 33 8.479 17.056 5.738 1.00 0.00 C ATOM 527 O SER A 33 9.380 17.360 4.956 1.00 0.00 O ATOM 528 CB SER A 33 8.229 18.609 7.666 1.00 0.00 C ATOM 529 OG SER A 33 8.428 17.542 8.552 1.00 0.00 O ATOM 530 H SER A 33 5.985 17.393 7.564 1.00 0.00 H ATOM 531 HA SER A 33 7.535 18.975 5.686 1.00 0.00 H ATOM 532 1HB SER A 33 9.183 19.090 7.451 1.00 0.00 H ATOM 533 2HB SER A 33 7.583 19.354 8.128 1.00 0.00 H ATOM 534 HG SER A 33 7.552 17.248 8.813 1.00 0.00 H ATOM 535 N GLU A 34 8.210 15.801 6.081 1.00 0.00 N ATOM 536 CA GLU A 34 8.901 14.674 5.465 1.00 0.00 C ATOM 537 C GLU A 34 8.461 14.481 4.020 1.00 0.00 C ATOM 538 O GLU A 34 9.254 14.082 3.168 1.00 0.00 O ATOM 539 CB GLU A 34 8.646 13.393 6.262 1.00 0.00 C ATOM 540 CG GLU A 34 9.333 13.350 7.620 1.00 0.00 C ATOM 541 CD GLU A 34 9.003 12.110 8.403 1.00 0.00 C ATOM 542 OE1 GLU A 34 7.936 11.577 8.214 1.00 0.00 O ATOM 543 OE2 GLU A 34 9.819 11.695 9.192 1.00 0.00 O ATOM 544 H GLU A 34 7.509 15.623 6.785 1.00 0.00 H ATOM 545 HA GLU A 34 9.973 14.875 5.481 1.00 0.00 H ATOM 546 1HB GLU A 34 7.575 13.272 6.425 1.00 0.00 H ATOM 547 2HB GLU A 34 8.989 12.533 5.687 1.00 0.00 H ATOM 548 1HG GLU A 34 10.412 13.396 7.472 1.00 0.00 H ATOM 549 2HG GLU A 34 9.035 14.226 8.194 1.00 0.00 H ATOM 550 N ALA A 35 7.192 14.766 3.750 1.00 0.00 N ATOM 551 CA ALA A 35 6.666 14.709 2.392 1.00 0.00 C ATOM 552 C ALA A 35 7.375 15.706 1.484 1.00 0.00 C ATOM 553 O ALA A 35 7.755 15.377 0.361 1.00 0.00 O ATOM 554 CB ALA A 35 5.166 14.968 2.393 1.00 0.00 C ATOM 555 H ALA A 35 6.575 15.028 4.506 1.00 0.00 H ATOM 556 HA ALA A 35 6.827 13.704 2.000 1.00 0.00 H ATOM 557 1HB ALA A 35 4.788 14.922 1.371 1.00 0.00 H ATOM 558 2HB ALA A 35 4.667 14.212 2.998 1.00 0.00 H ATOM 559 3HB ALA A 35 4.968 15.954 2.809 1.00 0.00 H ATOM 560 N GLU A 36 7.550 16.927 1.979 1.00 0.00 N ATOM 561 CA GLU A 36 8.311 17.942 1.260 1.00 0.00 C ATOM 562 C GLU A 36 9.748 17.493 1.030 1.00 0.00 C ATOM 563 O GLU A 36 10.255 17.551 -0.090 1.00 0.00 O ATOM 564 CB GLU A 36 8.296 19.264 2.031 1.00 0.00 C ATOM 565 CG GLU A 36 9.061 20.394 1.356 1.00 0.00 C ATOM 566 CD GLU A 36 8.978 21.691 2.112 1.00 0.00 C ATOM 567 OE1 GLU A 36 8.012 21.890 2.808 1.00 0.00 O ATOM 568 OE2 GLU A 36 9.883 22.483 1.994 1.00 0.00 O ATOM 569 H GLU A 36 7.146 17.158 2.875 1.00 0.00 H ATOM 570 HA GLU A 36 7.838 18.109 0.292 1.00 0.00 H ATOM 571 1HB GLU A 36 7.266 19.594 2.169 1.00 0.00 H ATOM 572 2HB GLU A 36 8.727 19.113 3.021 1.00 0.00 H ATOM 573 1HG GLU A 36 10.108 20.106 1.265 1.00 0.00 H ATOM 574 2HG GLU A 36 8.664 20.538 0.352 1.00 0.00 H ATOM 575 N GLU A 37 10.401 17.046 2.098 1.00 0.00 N ATOM 576 CA GLU A 37 11.778 16.573 2.012 1.00 0.00 C ATOM 577 C GLU A 37 11.912 15.451 0.991 1.00 0.00 C ATOM 578 O GLU A 37 12.868 15.414 0.217 1.00 0.00 O ATOM 579 CB GLU A 37 12.263 16.091 3.381 1.00 0.00 C ATOM 580 CG GLU A 37 13.684 15.546 3.388 1.00 0.00 C ATOM 581 CD GLU A 37 14.716 16.599 3.101 1.00 0.00 C ATOM 582 OE1 GLU A 37 14.417 17.758 3.263 1.00 0.00 O ATOM 583 OE2 GLU A 37 15.807 16.245 2.718 1.00 0.00 O ATOM 584 H GLU A 37 9.931 17.033 2.992 1.00 0.00 H ATOM 585 HA GLU A 37 12.410 17.406 1.702 1.00 0.00 H ATOM 586 1HB GLU A 37 12.217 16.915 4.094 1.00 0.00 H ATOM 587 2HB GLU A 37 11.601 15.306 3.745 1.00 0.00 H ATOM 588 1HG GLU A 37 13.889 15.109 4.365 1.00 0.00 H ATOM 589 2HG GLU A 37 13.761 14.755 2.643 1.00 0.00 H ATOM 590 N PHE A 38 10.948 14.537 0.994 1.00 0.00 N ATOM 591 CA PHE A 38 10.932 13.437 0.037 1.00 0.00 C ATOM 592 C PHE A 38 10.983 13.953 -1.396 1.00 0.00 C ATOM 593 O PHE A 38 11.800 13.502 -2.199 1.00 0.00 O ATOM 594 CB PHE A 38 9.680 12.578 0.230 1.00 0.00 C ATOM 595 CG PHE A 38 9.551 11.463 -0.767 1.00 0.00 C ATOM 596 CD1 PHE A 38 10.048 10.199 -0.485 1.00 0.00 C ATOM 597 CD2 PHE A 38 8.932 11.675 -1.990 1.00 0.00 C ATOM 598 CE1 PHE A 38 9.929 9.172 -1.403 1.00 0.00 C ATOM 599 CE2 PHE A 38 8.811 10.650 -2.909 1.00 0.00 C ATOM 600 CZ PHE A 38 9.310 9.397 -2.614 1.00 0.00 C ATOM 601 H PHE A 38 10.207 14.605 1.677 1.00 0.00 H ATOM 602 HA PHE A 38 11.807 12.811 0.214 1.00 0.00 H ATOM 603 1HB PHE A 38 9.690 12.142 1.228 1.00 0.00 H ATOM 604 2HB PHE A 38 8.794 13.206 0.156 1.00 0.00 H ATOM 605 HD1 PHE A 38 10.536 10.021 0.473 1.00 0.00 H ATOM 606 HD2 PHE A 38 8.538 12.665 -2.223 1.00 0.00 H ATOM 607 HE1 PHE A 38 10.324 8.184 -1.168 1.00 0.00 H ATOM 608 HE2 PHE A 38 8.322 10.830 -3.866 1.00 0.00 H ATOM 609 HZ PHE A 38 9.217 8.589 -3.338 1.00 0.00 H ATOM 610 N LEU A 39 10.105 14.900 -1.710 1.00 0.00 N ATOM 611 CA LEU A 39 10.024 15.452 -3.057 1.00 0.00 C ATOM 612 C LEU A 39 11.285 16.231 -3.410 1.00 0.00 C ATOM 613 O LEU A 39 11.713 16.247 -4.564 1.00 0.00 O ATOM 614 CB LEU A 39 8.799 16.367 -3.181 1.00 0.00 C ATOM 615 CG LEU A 39 7.436 15.667 -3.104 1.00 0.00 C ATOM 616 CD1 LEU A 39 6.328 16.712 -3.088 1.00 0.00 C ATOM 617 CD2 LEU A 39 7.281 14.725 -4.289 1.00 0.00 C ATOM 618 H LEU A 39 9.479 15.246 -0.998 1.00 0.00 H ATOM 619 HA LEU A 39 9.913 14.628 -3.763 1.00 0.00 H ATOM 620 1HB LEU A 39 8.836 17.108 -2.384 1.00 0.00 H ATOM 621 2HB LEU A 39 8.850 16.888 -4.137 1.00 0.00 H ATOM 622 HG LEU A 39 7.371 15.097 -2.177 1.00 0.00 H ATOM 623 1HD1 LEU A 39 5.360 16.214 -3.033 1.00 0.00 H ATOM 624 2HD1 LEU A 39 6.452 17.360 -2.220 1.00 0.00 H ATOM 625 3HD1 LEU A 39 6.378 17.309 -3.997 1.00 0.00 H ATOM 626 1HD2 LEU A 39 6.312 14.227 -4.234 1.00 0.00 H ATOM 627 2HD2 LEU A 39 7.344 15.294 -5.217 1.00 0.00 H ATOM 628 3HD2 LEU A 39 8.075 13.978 -4.266 1.00 0.00 H ATOM 629 N ARG A 40 11.875 16.876 -2.410 1.00 0.00 N ATOM 630 CA ARG A 40 13.129 17.597 -2.597 1.00 0.00 C ATOM 631 C ARG A 40 14.266 16.643 -2.940 1.00 0.00 C ATOM 632 O ARG A 40 15.164 16.984 -3.710 1.00 0.00 O ATOM 633 CB ARG A 40 13.488 18.380 -1.343 1.00 0.00 C ATOM 634 CG ARG A 40 12.644 19.622 -1.102 1.00 0.00 C ATOM 635 CD ARG A 40 13.104 20.374 0.094 1.00 0.00 C ATOM 636 NE ARG A 40 12.286 21.550 0.342 1.00 0.00 N ATOM 637 CZ ARG A 40 12.447 22.738 -0.273 1.00 0.00 C ATOM 638 NH1 ARG A 40 13.398 22.891 -1.167 1.00 0.00 N ATOM 639 NH2 ARG A 40 11.649 23.749 0.023 1.00 0.00 N ATOM 640 H ARG A 40 11.445 16.866 -1.496 1.00 0.00 H ATOM 641 HA ARG A 40 13.003 18.301 -3.420 1.00 0.00 H ATOM 642 1HB ARG A 40 13.385 17.737 -0.471 1.00 0.00 H ATOM 643 2HB ARG A 40 14.530 18.695 -1.397 1.00 0.00 H ATOM 644 1HG ARG A 40 12.710 20.281 -1.967 1.00 0.00 H ATOM 645 2HG ARG A 40 11.605 19.331 -0.945 1.00 0.00 H ATOM 646 1HD ARG A 40 13.050 19.730 0.971 1.00 0.00 H ATOM 647 2HD ARG A 40 14.132 20.700 -0.054 1.00 0.00 H ATOM 648 HE ARG A 40 11.543 21.471 1.025 1.00 0.00 H ATOM 649 1HH1 ARG A 40 14.007 22.118 -1.394 1.00 0.00 H ATOM 650 2HH1 ARG A 40 13.519 23.781 -1.628 1.00 0.00 H ATOM 651 1HH2 ARG A 40 10.918 23.631 0.712 1.00 0.00 H ATOM 652 2HH2 ARG A 40 11.770 24.639 -0.437 1.00 0.00 H ATOM 653 N ARG A 41 14.223 15.447 -2.363 1.00 0.00 N ATOM 654 CA ARG A 41 15.223 14.424 -2.645 1.00 0.00 C ATOM 655 C ARG A 41 14.909 13.690 -3.942 1.00 0.00 C ATOM 656 O ARG A 41 15.814 13.302 -4.682 1.00 0.00 O ATOM 657 CB ARG A 41 15.299 13.421 -1.503 1.00 0.00 C ATOM 658 CG ARG A 41 15.849 13.977 -0.199 1.00 0.00 C ATOM 659 CD ARG A 41 15.881 12.944 0.868 1.00 0.00 C ATOM 660 NE ARG A 41 16.309 13.495 2.143 1.00 0.00 N ATOM 661 CZ ARG A 41 16.641 12.759 3.222 1.00 0.00 C ATOM 662 NH1 ARG A 41 16.589 11.446 3.164 1.00 0.00 N ATOM 663 NH2 ARG A 41 17.020 13.356 4.339 1.00 0.00 N ATOM 664 H ARG A 41 13.479 15.241 -1.712 1.00 0.00 H ATOM 665 HA ARG A 41 16.195 14.908 -2.744 1.00 0.00 H ATOM 666 1HB ARG A 41 14.305 13.025 -1.300 1.00 0.00 H ATOM 667 2HB ARG A 41 15.932 12.583 -1.797 1.00 0.00 H ATOM 668 1HG ARG A 41 16.866 14.338 -0.357 1.00 0.00 H ATOM 669 2HG ARG A 41 15.220 14.800 0.140 1.00 0.00 H ATOM 670 1HD ARG A 41 14.884 12.523 0.996 1.00 0.00 H ATOM 671 2HD ARG A 41 16.575 12.153 0.588 1.00 0.00 H ATOM 672 HE ARG A 41 16.362 14.501 2.227 1.00 0.00 H ATOM 673 1HH1 ARG A 41 16.300 10.990 2.310 1.00 0.00 H ATOM 674 2HH1 ARG A 41 16.838 10.895 3.972 1.00 0.00 H ATOM 675 1HH2 ARG A 41 17.060 14.365 4.384 1.00 0.00 H ATOM 676 2HH2 ARG A 41 17.268 12.804 5.146 1.00 0.00 H ATOM 677 N ALA A 42 13.622 13.502 -4.213 1.00 0.00 N ATOM 678 CA ALA A 42 13.188 12.759 -5.390 1.00 0.00 C ATOM 679 C ALA A 42 13.410 13.565 -6.663 1.00 0.00 C ATOM 680 O ALA A 42 13.832 13.025 -7.685 1.00 0.00 O ATOM 681 CB ALA A 42 11.722 12.370 -5.259 1.00 0.00 C ATOM 682 H ALA A 42 12.927 13.883 -3.587 1.00 0.00 H ATOM 683 HA ALA A 42 13.769 11.839 -5.453 1.00 0.00 H ATOM 684 1HB ALA A 42 11.413 11.816 -6.146 1.00 0.00 H ATOM 685 2HB ALA A 42 11.589 11.745 -4.376 1.00 0.00 H ATOM 686 3HB ALA A 42 11.115 13.268 -5.163 1.00 0.00 H ATOM 687 N PHE A 43 13.123 14.861 -6.594 1.00 0.00 N ATOM 688 CA PHE A 43 13.196 15.725 -7.767 1.00 0.00 C ATOM 689 C PHE A 43 14.245 16.814 -7.583 1.00 0.00 C ATOM 690 O PHE A 43 14.507 17.255 -6.464 1.00 0.00 O ATOM 691 OXT PHE A 43 14.826 17.254 -8.536 1.00 0.00 O ATOM 692 CB PHE A 43 11.834 16.362 -8.047 1.00 0.00 C ATOM 693 CG PHE A 43 10.755 15.369 -8.370 1.00 0.00 C ATOM 694 CD1 PHE A 43 9.955 14.842 -7.367 1.00 0.00 C ATOM 695 CD2 PHE A 43 10.538 14.958 -9.677 1.00 0.00 C ATOM 696 CE1 PHE A 43 8.961 13.927 -7.664 1.00 0.00 C ATOM 697 CE2 PHE A 43 9.545 14.046 -9.976 1.00 0.00 C ATOM 698 CZ PHE A 43 8.757 13.529 -8.968 1.00 0.00 C ATOM 699 H PHE A 43 12.847 15.257 -5.708 1.00 0.00 H ATOM 700 HA PHE A 43 13.479 15.117 -8.627 1.00 0.00 H ATOM 701 1HB PHE A 43 11.517 16.938 -7.178 1.00 0.00 H ATOM 702 2HB PHE A 43 11.922 17.054 -8.883 1.00 0.00 H ATOM 703 HD1 PHE A 43 10.116 15.157 -6.336 1.00 0.00 H ATOM 704 HD2 PHE A 43 11.162 15.366 -10.473 1.00 0.00 H ATOM 705 HE1 PHE A 43 8.340 13.521 -6.866 1.00 0.00 H ATOM 706 HE2 PHE A 43 9.385 13.732 -11.007 1.00 0.00 H ATOM 707 HZ PHE A 43 7.975 12.808 -9.202 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE nods_bigger.blueprint.34_try367_pass_20150521032304_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 rama omega fa_dun p_aa_pp ref total weights 0.8 0.44 0.75 0.004 0.7 1 1.17 1.17 1.17 1.1 1 0.2 0.5 0.56 0.32 1 NA pose -176.562 16.2062 96.7485 0.28152 -22.4907 0 -23.0504 -1.70536 -2.1983 -6.53162 0 -6.5512 2.62241 47.4125 -5.4285 -13.9399 -95.187 ASP:NtermProteinFull_1 -2.84343 0.22183 2.3619 0.01414 -0.38736 0 0 0 -0.05823 0 0 0 0.01288 1.4899 0 -1.28682 -0.47519 SER_2 -3.05899 0.22541 2.0452 0.00082 -0.2429 0 0 0 -0.49259 0 0 -0.17023 0.02415 0.51377 0.06109 0.17658 -0.9177 GLU_3 -3.63312 0.34988 2.89736 0.00509 -1.31701 0 0 0 -0.05823 -0.36556 0 -0.25852 0.20761 2.36936 -0.15675 -1.55374 -1.51365 GLN_4 -3.93565 0.3993 2.63476 0.00732 -0.41499 0 0 0 0 -0.31042 0 -0.16163 0.02411 2.0171 -0.12836 -1.17797 -1.04642 LEU_5 -4.93278 0.49559 2.20456 0.00721 -0.17652 0 0 0 0 0 0 -0.1208 0.1912 0.16766 -0.11818 0.60233 -1.67973 LYS_6 -5.6469 0.50908 3.08659 0.00309 -1.15334 0 0 0 0 -0.36556 0 -0.17508 0.02502 0.88817 -0.04842 -0.28737 -3.16471 GLU_7 -4.41613 0.33746 3.0978 0.0051 -1.11589 0 0 0 0 -0.42854 0 -0.24076 0.07375 2.31368 -0.17046 -1.55374 -2.09775 GLU_8 -5.10338 0.3904 3.28251 0.00554 -1.42691 0 0 0 0 -0.74986 0 -0.26493 0.20936 2.38916 -0.15576 -1.55374 -2.9776 ALA_9 -4.72896 0.53018 1.8943 0.00074 -0.29934 0 0 0 0 0 0 -0.16754 0.15622 0 -0.1729 0.59294 -2.19435 LYS_10 -5.32333 0.45021 3.06513 0.00313 -1.07809 0 0 0 0 -0.42854 0 -0.16312 0.04934 0.89048 -0.04717 -0.28737 -2.86933 LYS_11 -4.56753 0.39754 3.28179 0.00316 -0.96227 0 0 0 0 -0.43944 0 -0.12839 4e-05 0.98879 -0.03091 -0.28737 -1.7446 ALA_12 -4.77126 0.25761 2.25405 0.00073 -0.30602 0 0 0 0 0 0 -0.13847 0.03805 0 -0.17237 0.59294 -2.24473 TYR_13 -6.20815 0.53778 1.91787 0.02918 -0.19122 0 0 0 0 0 0 -0.04821 0.00021 1.75677 -0.00349 0.1317 -2.07757 LYS_14 -3.06339 0.44529 1.54206 0.00314 -0.0893 0 0 0 0 0 0 -0.26119 0.00095 0.71565 -0.04161 -0.28737 -1.03578 ASN_15 -3.00609 0.35617 2.1296 0.00383 -0.04595 0 0 0 0 0 0 -0.23093 0.05917 1.39057 -0.22184 -0.94198 -0.50745 GLY_16 -1.58913 0.38416 1.11521 2e-05 -0.167 0 0 0 0 0 0 -0.27365 6e-05 0 -0.78427 0.14053 -1.17408 ASN_17 -4.1656 0.31697 2.61556 0.00444 -0.29949 0 0 0 0 0 0 0.02843 0.00274 1.51755 -0.30891 -0.94198 -1.23031 GLU_18 -3.41391 0.30208 2.03238 0.00742 -0.46822 0 0 0 0 0 0 -0.16522 0.01118 2.23482 -0.09423 -1.55374 -1.10745 GLU_19 -3.22531 0.37057 2.18218 0.00762 -0.86975 0 0 0 0 -0.44486 0 -0.07459 0.00987 2.27097 -0.10536 -1.55374 -1.43239 LYS_20 -3.94371 0.4077 1.69431 0.0053 -0.08669 0 0 0 0 0 0 -0.15518 0.02489 0.86889 -0.04562 -0.28737 -1.51748 ALA_21 -5.01577 0.4801 2.07404 0.00073 -0.24918 0 0 0 0 0 0 -0.11599 0.00554 0 -0.16161 0.59294 -2.3892 LYS_22 -5.37715 0.36164 3.12729 0.00309 -0.79016 0 0 0 0 0 0 -0.22413 0.01057 0.77755 -0.04252 -0.28737 -2.44119 ARG_23 -4.33976 0.28473 2.7923 0.00955 -1.00022 0 0 0 0 -0.44486 0 -0.20824 0.07349 1.59884 -0.08898 -0.14916 -1.47231 ILE_24 -5.56846 0.45143 2.11423 0.02002 -0.21524 0 0 0 0 0 0 -0.0364 0.01172 0.08593 -0.0907 0.8318 -2.39567 LEU_25 -6.52564 0.87382 1.79772 0.0061 -0.23598 0 0 0 0 0 0 -0.12281 0.23857 0.23927 -0.12158 0.60233 -3.2482 LYS_26 -3.98472 0.49553 2.63254 0.00487 -0.98647 0 0 0 0 -0.36011 0 -0.17394 0.04221 0.94811 -0.04548 -0.28737 -1.71484 LYS_27 -2.58602 0.4704 1.35118 0.00315 -0.03833 0 0 0 0 0 0 -0.26704 0.02065 0.70978 -0.04001 -0.28737 -0.66362 ALA_28 -3.06969 0.44874 1.38257 0.0009 -0.34536 0 0 0 -0.49259 0 0 -0.27488 0.06047 0 -0.037 0.59294 -1.7339 GLY_29 -1.35252 0.39905 0.88269 2e-05 0.03633 0 0 0 0 0 0 -0.00249 0.03341 0 -0.79775 0.14053 -0.66075 LEU_30 -3.65851 0.24993 1.77195 0.00696 0.02472 0 0 0 0 0 0 -0.146 0.34513 0.04429 -0.16901 0.60233 -0.92821 ASP_31 -3.90807 0.36973 2.99831 0.00263 -1.3074 0 0 0 -0.54833 -0.22773 0 -0.15709 0.00868 2.66346 0.03734 -1.28682 -1.3553 GLU_32 -2.61161 0.17535 2.01588 0.00453 -0.67337 0 0 0 0 -0.36011 0 -0.24779 0.02454 2.12203 -0.10955 -1.55374 -1.21383 SER_33 -2.65413 0.2115 2.00514 0.00152 -0.94978 0 0 0 -0.2153 -0.22773 0 -0.18233 0.12907 0.29174 -0.00506 0.17658 -1.41877 GLU_34 -4.35791 0.2602 2.75077 0.00398 -0.73189 0 0 0 -0.33304 0 0 -0.24073 0.08432 2.26547 -0.17063 -1.55374 -2.0232 ALA_35 -4.33108 0.43436 1.85036 0.00073 -0.21645 0 0 0 0 0 0 -0.11289 0.1355 0 -0.15133 0.59294 -1.79785 GLU_36 -4.58336 0.38137 3.35166 0.00661 -1.17798 0 0 0 0 -0.41571 0 -0.10314 0.00204 2.36075 -0.10999 -1.55374 -1.8415 GLU_37 -4.46842 0.31369 3.058 0.00975 -1.08623 0 0 0 0 -0.27344 0 -0.17454 0.02344 2.61106 -0.08776 -1.55374 -1.62819 PHE_38 -5.86064 0.64206 1.93923 0.0305 -0.36941 0 0 0 0 0 0 0.01927 0.01526 1.44082 -0.12014 0.43057 -1.83248 LEU_39 -5.87934 0.31698 1.84903 0.0071 -0.06363 0 0 0 0 0 0 -0.14102 0.06065 0.12158 -0.12356 0.60233 -3.24988 ARG_40 -3.7863 0.25626 2.74774 0.00958 -0.74014 0 0 0 0 -0.41571 0 -0.23403 0.02646 1.62612 -0.0929 -0.14916 -0.75209 ARG_41 -3.20923 0.20049 2.35502 0.0078 -0.6826 0 0 0 0 -0.27344 0 -0.12982 0.04292 1.30659 -0.0872 -0.14916 -0.61862 ALA_42 -2.56881 0.1307 0.99813 0.00071 0.09593 0 0 0 0 0 0 -0.10516 0.107 0 -0.06757 0.59294 -0.81613 PHE:CtermProteinFull_43 -5.28837 0.3129 1.56764 0.02371 0.31042 0 0 0 0 0 0 0 0 1.41583 0 0.43057 -1.22729 #END_POSE_ENERGIES_TABLE nods_bigger.blueprint.34_try367_pass_20150521032304_0001.pdb AlaCount 6 bb -0.0396503 buried_minus_exposed 3844.74 buried_np 5275.87 buried_over_exposed 3.68648 cavity_volume 0 contact_all 310 contact_core_SASA 310 contact_core_SCN 155 degree 10.4884 degree_core_SASA 10.4884 degree_core_SCN 10.4884 exposed_hydrophobics 1431.13 holes 0.997406 mismatch_probability 0.085874 one_core_each 1 pack 0.711774 percent_core_SASA 0.0697512 percent_core_SCN 0.162753 res_count_core_SASA 3 res_count_core_SCN 7 ss_sc 0.816204 two_core_each 1 unsat_hbond 3
HHH_rd2_0074.pdb
ATOM 1 N GLY A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA GLY A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C GLY A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O GLY A 1 2.164 2.036 -1.054 1.00 0.00 O ATOM 5 1H GLY A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 6 2H GLY A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 7 3H GLY A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 8 1HA GLY A 1 1.822 -0.535 0.877 1.00 0.00 H ATOM 9 2HA GLY A 1 1.822 -0.535 -0.876 1.00 0.00 H ATOM 10 N GLN A 2 2.303 1.935 1.189 1.00 0.00 N ATOM 11 CA GLN A 2 2.803 3.297 1.331 1.00 0.00 C ATOM 12 C GLN A 2 4.166 3.456 0.669 1.00 0.00 C ATOM 13 O GLN A 2 4.460 4.491 0.072 1.00 0.00 O ATOM 14 CB GLN A 2 2.892 3.684 2.810 1.00 0.00 C ATOM 15 CG GLN A 2 3.243 5.142 3.052 1.00 0.00 C ATOM 16 CD GLN A 2 2.158 6.086 2.570 1.00 0.00 C ATOM 17 OE1 GLN A 2 0.972 5.881 2.842 1.00 0.00 O ATOM 18 NE2 GLN A 2 2.559 7.128 1.852 1.00 0.00 N ATOM 19 H GLN A 2 2.177 1.368 2.015 1.00 0.00 H ATOM 20 HA GLN A 2 2.099 3.977 0.849 1.00 0.00 H ATOM 21 1HB GLN A 2 1.938 3.482 3.297 1.00 0.00 H ATOM 22 2HB GLN A 2 3.647 3.070 3.302 1.00 0.00 H ATOM 23 1HG GLN A 2 3.383 5.298 4.122 1.00 0.00 H ATOM 24 2HG GLN A 2 4.163 5.377 2.517 1.00 0.00 H ATOM 25 1HE2 GLN A 2 1.888 7.786 1.506 1.00 0.00 H ATOM 26 2HE2 GLN A 2 3.531 7.257 1.655 1.00 0.00 H ATOM 27 N GLU A 3 4.995 2.423 0.779 1.00 0.00 N ATOM 28 CA GLU A 3 6.307 2.423 0.143 1.00 0.00 C ATOM 29 C GLU A 3 6.192 2.672 -1.356 1.00 0.00 C ATOM 30 O GLU A 3 6.892 3.520 -1.909 1.00 0.00 O ATOM 31 CB GLU A 3 7.022 1.094 0.396 1.00 0.00 C ATOM 32 CG GLU A 3 8.392 0.982 -0.260 1.00 0.00 C ATOM 33 CD GLU A 3 9.038 -0.357 -0.040 1.00 0.00 C ATOM 34 OE1 GLU A 3 8.618 -1.059 0.849 1.00 0.00 O ATOM 35 OE2 GLU A 3 9.953 -0.678 -0.761 1.00 0.00 O ATOM 36 H GLU A 3 4.709 1.618 1.317 1.00 0.00 H ATOM 37 HA GLU A 3 6.906 3.220 0.585 1.00 0.00 H ATOM 38 1HB GLU A 3 7.152 0.949 1.468 1.00 0.00 H ATOM 39 2HB GLU A 3 6.407 0.274 0.027 1.00 0.00 H ATOM 40 1HG GLU A 3 8.285 1.150 -1.331 1.00 0.00 H ATOM 41 2HG GLU A 3 9.038 1.763 0.139 1.00 0.00 H ATOM 42 N ALA A 4 5.306 1.927 -2.008 1.00 0.00 N ATOM 43 CA ALA A 4 5.097 2.068 -3.444 1.00 0.00 C ATOM 44 C ALA A 4 4.617 3.470 -3.797 1.00 0.00 C ATOM 45 O ALA A 4 5.036 4.045 -4.801 1.00 0.00 O ATOM 46 CB ALA A 4 4.100 1.029 -3.938 1.00 0.00 C ATOM 47 H ALA A 4 4.763 1.247 -1.496 1.00 0.00 H ATOM 48 HA ALA A 4 6.044 1.884 -3.952 1.00 0.00 H ATOM 49 1HB ALA A 4 3.955 1.146 -5.012 1.00 0.00 H ATOM 50 2HB ALA A 4 4.484 0.030 -3.731 1.00 0.00 H ATOM 51 3HB ALA A 4 3.149 1.165 -3.426 1.00 0.00 H ATOM 52 N GLU A 5 3.738 4.016 -2.964 1.00 0.00 N ATOM 53 CA GLU A 5 3.268 5.385 -3.136 1.00 0.00 C ATOM 54 C GLU A 5 4.425 6.375 -3.088 1.00 0.00 C ATOM 55 O GLU A 5 4.494 7.303 -3.893 1.00 0.00 O ATOM 56 CB GLU A 5 2.240 5.736 -2.058 1.00 0.00 C ATOM 57 CG GLU A 5 1.647 7.132 -2.184 1.00 0.00 C ATOM 58 CD GLU A 5 0.541 7.390 -1.199 1.00 0.00 C ATOM 59 OE1 GLU A 5 0.269 6.526 -0.401 1.00 0.00 O ATOM 60 OE2 GLU A 5 -0.034 8.452 -1.246 1.00 0.00 O ATOM 61 H GLU A 5 3.385 3.468 -2.192 1.00 0.00 H ATOM 62 HA GLU A 5 2.780 5.465 -4.108 1.00 0.00 H ATOM 63 1HB GLU A 5 1.418 5.020 -2.092 1.00 0.00 H ATOM 64 2HB GLU A 5 2.702 5.656 -1.074 1.00 0.00 H ATOM 65 1HG GLU A 5 2.437 7.866 -2.025 1.00 0.00 H ATOM 66 2HG GLU A 5 1.265 7.263 -3.195 1.00 0.00 H ATOM 67 N GLU A 6 5.333 6.170 -2.139 1.00 0.00 N ATOM 68 CA GLU A 6 6.491 7.043 -1.986 1.00 0.00 C ATOM 69 C GLU A 6 7.450 6.896 -3.159 1.00 0.00 C ATOM 70 O GLU A 6 8.063 7.869 -3.598 1.00 0.00 O ATOM 71 CB GLU A 6 7.220 6.736 -0.676 1.00 0.00 C ATOM 72 CG GLU A 6 6.435 7.090 0.579 1.00 0.00 C ATOM 73 CD GLU A 6 6.058 8.544 0.643 1.00 0.00 C ATOM 74 OE1 GLU A 6 6.870 9.364 0.288 1.00 0.00 O ATOM 75 OE2 GLU A 6 4.957 8.834 1.048 1.00 0.00 O ATOM 76 H GLU A 6 5.217 5.390 -1.508 1.00 0.00 H ATOM 77 HA GLU A 6 6.143 8.076 -1.946 1.00 0.00 H ATOM 78 1HB GLU A 6 7.459 5.673 -0.633 1.00 0.00 H ATOM 79 2HB GLU A 6 8.162 7.284 -0.647 1.00 0.00 H ATOM 80 1HG GLU A 6 5.526 6.489 0.608 1.00 0.00 H ATOM 81 2HG GLU A 6 7.033 6.835 1.453 1.00 0.00 H ATOM 82 N ARG A 7 7.577 5.673 -3.664 1.00 0.00 N ATOM 83 CA ARG A 7 8.393 5.412 -4.844 1.00 0.00 C ATOM 84 C ARG A 7 7.809 6.086 -6.078 1.00 0.00 C ATOM 85 O ARG A 7 8.542 6.602 -6.921 1.00 0.00 O ATOM 86 CB ARG A 7 8.509 3.916 -5.093 1.00 0.00 C ATOM 87 CG ARG A 7 9.375 3.166 -4.094 1.00 0.00 C ATOM 88 CD ARG A 7 9.448 1.716 -4.409 1.00 0.00 C ATOM 89 NE ARG A 7 10.219 0.983 -3.418 1.00 0.00 N ATOM 90 CZ ARG A 7 11.563 0.881 -3.417 1.00 0.00 C ATOM 91 NH1 ARG A 7 12.267 1.469 -4.359 1.00 0.00 N ATOM 92 NH2 ARG A 7 12.172 0.191 -2.470 1.00 0.00 N ATOM 93 H ARG A 7 7.095 4.905 -3.219 1.00 0.00 H ATOM 94 HA ARG A 7 9.393 5.811 -4.668 1.00 0.00 H ATOM 95 1HB ARG A 7 7.518 3.466 -5.073 1.00 0.00 H ATOM 96 2HB ARG A 7 8.927 3.744 -6.086 1.00 0.00 H ATOM 97 1HG ARG A 7 10.387 3.572 -4.112 1.00 0.00 H ATOM 98 2HG ARG A 7 8.957 3.279 -3.093 1.00 0.00 H ATOM 99 1HD ARG A 7 8.442 1.299 -4.434 1.00 0.00 H ATOM 100 2HD ARG A 7 9.922 1.578 -5.380 1.00 0.00 H ATOM 101 HE ARG A 7 9.712 0.518 -2.677 1.00 0.00 H ATOM 102 1HH1 ARG A 7 11.801 1.997 -5.083 1.00 0.00 H ATOM 103 2HH1 ARG A 7 13.274 1.392 -4.358 1.00 0.00 H ATOM 104 1HH2 ARG A 7 11.631 -0.261 -1.746 1.00 0.00 H ATOM 105 2HH2 ARG A 7 13.179 0.114 -2.469 1.00 0.00 H ATOM 106 N ALA A 8 6.484 6.078 -6.179 1.00 0.00 N ATOM 107 CA ALA A 8 5.793 6.794 -7.245 1.00 0.00 C ATOM 108 C ALA A 8 6.059 8.292 -7.165 1.00 0.00 C ATOM 109 O ALA A 8 6.281 8.948 -8.183 1.00 0.00 O ATOM 110 CB ALA A 8 4.297 6.519 -7.184 1.00 0.00 C ATOM 111 H ALA A 8 5.942 5.563 -5.500 1.00 0.00 H ATOM 112 HA ALA A 8 6.158 6.425 -8.204 1.00 0.00 H ATOM 113 1HB ALA A 8 3.795 7.060 -7.986 1.00 0.00 H ATOM 114 2HB ALA A 8 4.119 5.450 -7.301 1.00 0.00 H ATOM 115 3HB ALA A 8 3.905 6.849 -6.224 1.00 0.00 H ATOM 116 N ARG A 9 6.035 8.828 -5.950 1.00 0.00 N ATOM 117 CA ARG A 9 6.340 10.237 -5.727 1.00 0.00 C ATOM 118 C ARG A 9 7.751 10.575 -6.190 1.00 0.00 C ATOM 119 O ARG A 9 7.970 11.582 -6.862 1.00 0.00 O ATOM 120 CB ARG A 9 6.193 10.590 -4.255 1.00 0.00 C ATOM 121 CG ARG A 9 6.541 12.028 -3.905 1.00 0.00 C ATOM 122 CD ARG A 9 6.350 12.302 -2.457 1.00 0.00 C ATOM 123 NE ARG A 9 7.177 11.439 -1.629 1.00 0.00 N ATOM 124 CZ ARG A 9 8.502 11.597 -1.443 1.00 0.00 C ATOM 125 NH1 ARG A 9 9.135 12.586 -2.033 1.00 0.00 N ATOM 126 NH2 ARG A 9 9.165 10.756 -0.669 1.00 0.00 N ATOM 127 H ARG A 9 5.800 8.245 -5.159 1.00 0.00 H ATOM 128 HA ARG A 9 5.631 10.838 -6.298 1.00 0.00 H ATOM 129 1HB ARG A 9 5.166 10.413 -3.939 1.00 0.00 H ATOM 130 2HB ARG A 9 6.835 9.941 -3.659 1.00 0.00 H ATOM 131 1HG ARG A 9 7.584 12.222 -4.156 1.00 0.00 H ATOM 132 2HG ARG A 9 5.899 12.706 -4.469 1.00 0.00 H ATOM 133 1HD ARG A 9 6.618 13.337 -2.245 1.00 0.00 H ATOM 134 2HD ARG A 9 5.308 12.136 -2.189 1.00 0.00 H ATOM 135 HE ARG A 9 6.725 10.666 -1.158 1.00 0.00 H ATOM 136 1HH1 ARG A 9 8.628 13.229 -2.626 1.00 0.00 H ATOM 137 2HH1 ARG A 9 10.128 12.704 -1.895 1.00 0.00 H ATOM 138 1HH2 ARG A 9 8.678 9.995 -0.215 1.00 0.00 H ATOM 139 2HH2 ARG A 9 10.158 10.874 -0.530 1.00 0.00 H ATOM 140 N GLU A 10 8.707 9.726 -5.826 1.00 0.00 N ATOM 141 CA GLU A 10 10.094 9.913 -6.234 1.00 0.00 C ATOM 142 C GLU A 10 10.205 10.088 -7.743 1.00 0.00 C ATOM 143 O GLU A 10 10.796 11.055 -8.223 1.00 0.00 O ATOM 144 CB GLU A 10 10.947 8.726 -5.783 1.00 0.00 C ATOM 145 CG GLU A 10 12.410 8.811 -6.194 1.00 0.00 C ATOM 146 CD GLU A 10 13.221 7.637 -5.719 1.00 0.00 C ATOM 147 OE1 GLU A 10 12.709 6.857 -4.953 1.00 0.00 O ATOM 148 OE2 GLU A 10 14.354 7.521 -6.123 1.00 0.00 O ATOM 149 H GLU A 10 8.466 8.931 -5.251 1.00 0.00 H ATOM 150 HA GLU A 10 10.479 10.811 -5.748 1.00 0.00 H ATOM 151 1HB GLU A 10 10.909 8.641 -4.697 1.00 0.00 H ATOM 152 2HB GLU A 10 10.537 7.805 -6.198 1.00 0.00 H ATOM 153 1HG GLU A 10 12.469 8.863 -7.281 1.00 0.00 H ATOM 154 2HG GLU A 10 12.837 9.728 -5.791 1.00 0.00 H ATOM 155 N GLU A 11 9.634 9.147 -8.486 1.00 0.00 N ATOM 156 CA GLU A 11 9.708 9.170 -9.942 1.00 0.00 C ATOM 157 C GLU A 11 8.866 10.302 -10.518 1.00 0.00 C ATOM 158 O GLU A 11 9.222 10.898 -11.535 1.00 0.00 O ATOM 159 CB GLU A 11 9.245 7.832 -10.521 1.00 0.00 C ATOM 160 CG GLU A 11 10.147 6.654 -10.181 1.00 0.00 C ATOM 161 CD GLU A 11 11.554 6.830 -10.680 1.00 0.00 C ATOM 162 OE1 GLU A 11 11.722 7.076 -11.851 1.00 0.00 O ATOM 163 OE2 GLU A 11 12.462 6.719 -9.891 1.00 0.00 O ATOM 164 H GLU A 11 9.136 8.395 -8.031 1.00 0.00 H ATOM 165 HA GLU A 11 10.748 9.325 -10.233 1.00 0.00 H ATOM 166 1HB GLU A 11 8.244 7.603 -10.155 1.00 0.00 H ATOM 167 2HB GLU A 11 9.188 7.906 -11.607 1.00 0.00 H ATOM 168 1HG GLU A 11 10.171 6.529 -9.098 1.00 0.00 H ATOM 169 2HG GLU A 11 9.723 5.749 -10.614 1.00 0.00 H ATOM 170 N TRP A 12 7.749 10.594 -9.862 1.00 0.00 N ATOM 171 CA TRP A 12 6.901 11.714 -10.253 1.00 0.00 C ATOM 172 C TRP A 12 7.652 13.035 -10.150 1.00 0.00 C ATOM 173 O TRP A 12 7.551 13.889 -11.031 1.00 0.00 O ATOM 174 CB TRP A 12 5.648 11.766 -9.377 1.00 0.00 C ATOM 175 CG TRP A 12 4.736 12.910 -9.704 1.00 0.00 C ATOM 176 CD1 TRP A 12 3.793 12.944 -10.686 1.00 0.00 C ATOM 177 CD2 TRP A 12 4.676 14.198 -9.044 1.00 0.00 C ATOM 178 NE1 TRP A 12 3.153 14.159 -10.685 1.00 0.00 N ATOM 179 CE2 TRP A 12 3.680 14.938 -9.686 1.00 0.00 C ATOM 180 CE3 TRP A 12 5.376 14.772 -7.976 1.00 0.00 C ATOM 181 CZ2 TRP A 12 3.362 16.230 -9.299 1.00 0.00 C ATOM 182 CZ3 TRP A 12 5.057 16.067 -7.587 1.00 0.00 C ATOM 183 CH2 TRP A 12 4.075 16.777 -8.232 1.00 0.00 C ATOM 184 H TRP A 12 7.479 10.026 -9.071 1.00 0.00 H ATOM 185 HA TRP A 12 6.591 11.568 -11.288 1.00 0.00 H ATOM 186 1HB TRP A 12 5.087 10.838 -9.488 1.00 0.00 H ATOM 187 2HB TRP A 12 5.939 11.849 -8.330 1.00 0.00 H ATOM 188 HD1 TRP A 12 3.578 12.127 -11.373 1.00 0.00 H ATOM 189 HE1 TRP A 12 2.415 14.436 -11.317 1.00 0.00 H ATOM 190 HE3 TRP A 12 6.155 14.212 -7.459 1.00 0.00 H ATOM 191 HZ2 TRP A 12 2.586 16.810 -9.798 1.00 0.00 H ATOM 192 HZ3 TRP A 12 5.607 16.507 -6.755 1.00 0.00 H ATOM 193 HH2 TRP A 12 3.850 17.791 -7.900 1.00 0.00 H ATOM 194 N GLU A 13 8.406 13.199 -9.068 1.00 0.00 N ATOM 195 CA GLU A 13 9.212 14.398 -8.870 1.00 0.00 C ATOM 196 C GLU A 13 10.314 14.500 -9.916 1.00 0.00 C ATOM 197 O GLU A 13 10.648 15.592 -10.375 1.00 0.00 O ATOM 198 CB GLU A 13 9.825 14.402 -7.467 1.00 0.00 C ATOM 199 CG GLU A 13 8.822 14.620 -6.343 1.00 0.00 C ATOM 200 CD GLU A 13 9.426 14.444 -4.978 1.00 0.00 C ATOM 201 OE1 GLU A 13 10.593 14.141 -4.900 1.00 0.00 O ATOM 202 OE2 GLU A 13 8.721 14.614 -4.012 1.00 0.00 O ATOM 203 H GLU A 13 8.421 12.474 -8.365 1.00 0.00 H ATOM 204 HA GLU A 13 8.563 15.270 -8.959 1.00 0.00 H ATOM 205 1HB GLU A 13 10.329 13.453 -7.287 1.00 0.00 H ATOM 206 2HB GLU A 13 10.577 15.189 -7.402 1.00 0.00 H ATOM 207 1HG GLU A 13 8.417 15.628 -6.422 1.00 0.00 H ATOM 208 2HG GLU A 13 7.999 13.917 -6.464 1.00 0.00 H ATOM 209 N LYS A 14 10.875 13.355 -10.291 1.00 0.00 N ATOM 210 CA LYS A 14 11.852 13.299 -11.372 1.00 0.00 C ATOM 211 C LYS A 14 11.243 13.761 -12.689 1.00 0.00 C ATOM 212 O LYS A 14 11.885 14.465 -13.468 1.00 0.00 O ATOM 213 CB LYS A 14 12.407 11.881 -11.518 1.00 0.00 C ATOM 214 CG LYS A 14 13.317 11.441 -10.379 1.00 0.00 C ATOM 215 CD LYS A 14 13.773 10.001 -10.561 1.00 0.00 C ATOM 216 CE LYS A 14 14.588 9.523 -9.368 1.00 0.00 C ATOM 217 NZ LYS A 14 14.952 8.085 -9.483 1.00 0.00 N ATOM 218 H LYS A 14 10.619 12.503 -9.814 1.00 0.00 H ATOM 219 HA LYS A 14 12.675 13.972 -11.131 1.00 0.00 H ATOM 220 1HB LYS A 14 11.582 11.171 -11.581 1.00 0.00 H ATOM 221 2HB LYS A 14 12.974 11.806 -12.447 1.00 0.00 H ATOM 222 1HG LYS A 14 14.193 12.089 -10.342 1.00 0.00 H ATOM 223 2HG LYS A 14 12.783 11.527 -9.433 1.00 0.00 H ATOM 224 1HD LYS A 14 12.902 9.355 -10.678 1.00 0.00 H ATOM 225 2HD LYS A 14 14.384 9.924 -11.460 1.00 0.00 H ATOM 226 1HE LYS A 14 15.501 10.111 -9.292 1.00 0.00 H ATOM 227 2HE LYS A 14 14.013 9.666 -8.454 1.00 0.00 H ATOM 228 1HZ LYS A 14 15.490 7.807 -8.675 1.00 0.00 H ATOM 229 2HZ LYS A 14 14.111 7.527 -9.535 1.00 0.00 H ATOM 230 3HZ LYS A 14 15.502 7.942 -10.318 1.00 0.00 H ATOM 231 N GLY A 15 9.999 13.361 -12.933 1.00 0.00 N ATOM 232 CA GLY A 15 9.274 13.795 -14.121 1.00 0.00 C ATOM 233 C GLY A 15 8.852 12.606 -14.974 1.00 0.00 C ATOM 234 O GLY A 15 8.792 12.699 -16.200 1.00 0.00 O ATOM 235 H GLY A 15 9.545 12.740 -12.278 1.00 0.00 H ATOM 236 1HA GLY A 15 8.393 14.364 -13.822 1.00 0.00 H ATOM 237 2HA GLY A 15 9.903 14.463 -14.708 1.00 0.00 H ATOM 238 N ARG A 16 8.560 11.487 -14.318 1.00 0.00 N ATOM 239 CA ARG A 16 8.103 10.289 -15.012 1.00 0.00 C ATOM 240 C ARG A 16 6.619 10.378 -15.344 1.00 0.00 C ATOM 241 O ARG A 16 5.829 10.912 -14.565 1.00 0.00 O ATOM 242 CB ARG A 16 8.357 9.051 -14.165 1.00 0.00 C ATOM 243 CG ARG A 16 7.994 7.734 -14.833 1.00 0.00 C ATOM 244 CD ARG A 16 8.392 6.569 -14.003 1.00 0.00 C ATOM 245 NE ARG A 16 9.835 6.473 -13.859 1.00 0.00 N ATOM 246 CZ ARG A 16 10.659 5.914 -14.766 1.00 0.00 C ATOM 247 NH1 ARG A 16 10.168 5.407 -15.875 1.00 0.00 N ATOM 248 NH2 ARG A 16 11.961 5.875 -14.542 1.00 0.00 N ATOM 249 H ARG A 16 8.657 11.467 -13.313 1.00 0.00 H ATOM 250 HA ARG A 16 8.651 10.212 -15.950 1.00 0.00 H ATOM 251 1HB ARG A 16 9.411 9.004 -13.897 1.00 0.00 H ATOM 252 2HB ARG A 16 7.786 9.119 -13.239 1.00 0.00 H ATOM 253 1HG ARG A 16 6.916 7.691 -14.991 1.00 0.00 H ATOM 254 2HG ARG A 16 8.504 7.660 -15.794 1.00 0.00 H ATOM 255 1HD ARG A 16 7.956 6.665 -13.009 1.00 0.00 H ATOM 256 2HD ARG A 16 8.034 5.651 -14.468 1.00 0.00 H ATOM 257 HE ARG A 16 10.250 6.852 -13.018 1.00 0.00 H ATOM 258 1HH1 ARG A 16 9.173 5.436 -16.047 1.00 0.00 H ATOM 259 2HH1 ARG A 16 10.786 4.988 -16.556 1.00 0.00 H ATOM 260 1HH2 ARG A 16 12.339 6.265 -13.689 1.00 0.00 H ATOM 261 2HH2 ARG A 16 12.578 5.457 -15.222 1.00 0.00 H ATOM 262 N SER A 17 6.245 9.851 -16.505 1.00 0.00 N ATOM 263 CA SER A 17 4.855 9.871 -16.944 1.00 0.00 C ATOM 264 C SER A 17 3.967 9.073 -15.998 1.00 0.00 C ATOM 265 O SER A 17 4.391 8.062 -15.438 1.00 0.00 O ATOM 266 CB SER A 17 4.743 9.313 -18.349 1.00 0.00 C ATOM 267 OG SER A 17 3.401 9.199 -18.738 1.00 0.00 O ATOM 268 H SER A 17 6.942 9.425 -17.099 1.00 0.00 H ATOM 269 HA SER A 17 4.508 10.906 -16.947 1.00 0.00 H ATOM 270 1HB SER A 17 5.271 9.966 -19.043 1.00 0.00 H ATOM 271 2HB SER A 17 5.221 8.336 -18.391 1.00 0.00 H ATOM 272 HG SER A 17 3.369 9.468 -19.660 1.00 0.00 H ATOM 273 N LYS A 18 2.733 9.533 -15.824 1.00 0.00 N ATOM 274 CA LYS A 18 1.790 8.876 -14.927 1.00 0.00 C ATOM 275 C LYS A 18 1.534 7.437 -15.355 1.00 0.00 C ATOM 276 O LYS A 18 1.303 6.562 -14.520 1.00 0.00 O ATOM 277 CB LYS A 18 0.472 9.651 -14.873 1.00 0.00 C ATOM 278 CG LYS A 18 0.559 10.990 -14.153 1.00 0.00 C ATOM 279 CD LYS A 18 -0.777 11.718 -14.177 1.00 0.00 C ATOM 280 CE LYS A 18 -0.699 13.043 -13.434 1.00 0.00 C ATOM 281 NZ LYS A 18 -1.973 13.807 -13.523 1.00 0.00 N ATOM 282 H LYS A 18 2.440 10.359 -16.325 1.00 0.00 H ATOM 283 HA LYS A 18 2.214 8.872 -13.922 1.00 0.00 H ATOM 284 1HB LYS A 18 0.119 9.838 -15.887 1.00 0.00 H ATOM 285 2HB LYS A 18 -0.284 9.049 -14.369 1.00 0.00 H ATOM 286 1HG LYS A 18 0.857 10.828 -13.117 1.00 0.00 H ATOM 287 2HG LYS A 18 1.311 11.614 -14.636 1.00 0.00 H ATOM 288 1HD LYS A 18 -1.071 11.906 -15.210 1.00 0.00 H ATOM 289 2HD LYS A 18 -1.539 11.094 -13.709 1.00 0.00 H ATOM 290 1HE LYS A 18 -0.473 12.859 -12.384 1.00 0.00 H ATOM 291 2HE LYS A 18 0.103 13.650 -13.854 1.00 0.00 H ATOM 292 1HZ LYS A 18 -1.881 14.678 -13.019 1.00 0.00 H ATOM 293 2HZ LYS A 18 -2.184 14.000 -14.492 1.00 0.00 H ATOM 294 3HZ LYS A 18 -2.722 13.263 -13.118 1.00 0.00 H ATOM 295 N ASP A 19 1.575 7.197 -16.661 1.00 0.00 N ATOM 296 CA ASP A 19 1.393 5.854 -17.200 1.00 0.00 C ATOM 297 C ASP A 19 2.591 4.968 -16.884 1.00 0.00 C ATOM 298 O ASP A 19 2.437 3.784 -16.584 1.00 0.00 O ATOM 299 CB ASP A 19 1.176 5.909 -18.714 1.00 0.00 C ATOM 300 CG ASP A 19 -0.182 6.481 -19.097 1.00 0.00 C ATOM 301 OD1 ASP A 19 -1.037 6.550 -18.247 1.00 0.00 O ATOM 302 OD2 ASP A 19 -0.351 6.844 -20.237 1.00 0.00 O ATOM 303 H ASP A 19 1.737 7.965 -17.297 1.00 0.00 H ATOM 304 HA ASP A 19 0.504 5.416 -16.745 1.00 0.00 H ATOM 305 1HB ASP A 19 1.954 6.520 -19.172 1.00 0.00 H ATOM 306 2HB ASP A 19 1.262 4.905 -19.130 1.00 0.00 H ATOM 307 N GLN A 20 3.785 5.547 -16.954 1.00 0.00 N ATOM 308 CA GLN A 20 5.004 4.837 -16.588 1.00 0.00 C ATOM 309 C GLN A 20 5.036 4.531 -15.096 1.00 0.00 C ATOM 310 O GLN A 20 5.468 3.455 -14.682 1.00 0.00 O ATOM 311 CB GLN A 20 6.239 5.653 -16.981 1.00 0.00 C ATOM 312 CG GLN A 20 6.464 5.757 -18.479 1.00 0.00 C ATOM 313 CD GLN A 20 7.604 6.695 -18.829 1.00 0.00 C ATOM 314 OE1 GLN A 20 7.754 7.763 -18.228 1.00 0.00 O ATOM 315 NE2 GLN A 20 8.415 6.302 -19.804 1.00 0.00 N ATOM 316 H GLN A 20 3.849 6.505 -17.269 1.00 0.00 H ATOM 317 HA GLN A 20 5.035 3.896 -17.138 1.00 0.00 H ATOM 318 1HB GLN A 20 6.149 6.663 -16.582 1.00 0.00 H ATOM 319 2HB GLN A 20 7.127 5.204 -16.537 1.00 0.00 H ATOM 320 1HG GLN A 20 6.703 4.768 -18.870 1.00 0.00 H ATOM 321 2HG GLN A 20 5.555 6.134 -18.948 1.00 0.00 H ATOM 322 1HE2 GLN A 20 9.185 6.880 -20.079 1.00 0.00 H ATOM 323 2HE2 GLN A 20 8.257 5.429 -20.265 1.00 0.00 H ATOM 324 N ILE A 21 4.577 5.484 -14.292 1.00 0.00 N ATOM 325 CA ILE A 21 4.476 5.288 -12.850 1.00 0.00 C ATOM 326 C ILE A 21 3.501 4.167 -12.514 1.00 0.00 C ATOM 327 O ILE A 21 3.796 3.302 -11.688 1.00 0.00 O ATOM 328 CB ILE A 21 4.031 6.584 -12.149 1.00 0.00 C ATOM 329 CG1 ILE A 21 5.133 7.643 -12.234 1.00 0.00 C ATOM 330 CG2 ILE A 21 3.666 6.306 -10.699 1.00 0.00 C ATOM 331 CD1 ILE A 21 4.682 9.028 -11.829 1.00 0.00 C ATOM 332 H ILE A 21 4.290 6.367 -14.689 1.00 0.00 H ATOM 333 HA ILE A 21 5.462 5.020 -12.468 1.00 0.00 H ATOM 334 HB ILE A 21 3.160 6.994 -12.661 1.00 0.00 H ATOM 335 1HG1 ILE A 21 5.966 7.354 -11.594 1.00 0.00 H ATOM 336 2HG1 ILE A 21 5.511 7.694 -13.256 1.00 0.00 H ATOM 337 1HG2 ILE A 21 3.354 7.233 -10.218 1.00 0.00 H ATOM 338 2HG2 ILE A 21 2.850 5.586 -10.661 1.00 0.00 H ATOM 339 3HG2 ILE A 21 4.533 5.901 -10.177 1.00 0.00 H ATOM 340 1HD1 ILE A 21 5.518 9.723 -11.916 1.00 0.00 H ATOM 341 2HD1 ILE A 21 3.871 9.352 -12.482 1.00 0.00 H ATOM 342 3HD1 ILE A 21 4.333 9.009 -10.798 1.00 0.00 H ATOM 343 N LYS A 22 2.339 4.187 -13.157 1.00 0.00 N ATOM 344 CA LYS A 22 1.340 3.142 -12.968 1.00 0.00 C ATOM 345 C LYS A 22 1.907 1.770 -13.309 1.00 0.00 C ATOM 346 O LYS A 22 1.694 0.801 -12.580 1.00 0.00 O ATOM 347 CB LYS A 22 0.101 3.425 -13.818 1.00 0.00 C ATOM 348 CG LYS A 22 -1.021 2.408 -13.654 1.00 0.00 C ATOM 349 CD LYS A 22 -2.263 2.826 -14.425 1.00 0.00 C ATOM 350 CE LYS A 22 -3.372 1.793 -14.293 1.00 0.00 C ATOM 351 NZ LYS A 22 -4.633 2.242 -14.943 1.00 0.00 N ATOM 352 H LYS A 22 2.143 4.946 -13.794 1.00 0.00 H ATOM 353 HA LYS A 22 1.033 3.143 -11.922 1.00 0.00 H ATOM 354 1HB LYS A 22 -0.298 4.407 -13.564 1.00 0.00 H ATOM 355 2HB LYS A 22 0.380 3.447 -14.872 1.00 0.00 H ATOM 356 1HG LYS A 22 -0.687 1.436 -14.018 1.00 0.00 H ATOM 357 2HG LYS A 22 -1.274 2.314 -12.598 1.00 0.00 H ATOM 358 1HD LYS A 22 -2.623 3.784 -14.046 1.00 0.00 H ATOM 359 2HD LYS A 22 -2.014 2.944 -15.480 1.00 0.00 H ATOM 360 1HE LYS A 22 -3.054 0.858 -14.751 1.00 0.00 H ATOM 361 2HE LYS A 22 -3.570 1.605 -13.237 1.00 0.00 H ATOM 362 1HZ LYS A 22 -5.341 1.531 -14.833 1.00 0.00 H ATOM 363 2HZ LYS A 22 -4.947 3.100 -14.513 1.00 0.00 H ATOM 364 3HZ LYS A 22 -4.466 2.401 -15.927 1.00 0.00 H ATOM 365 N GLU A 23 2.630 1.693 -14.421 1.00 0.00 N ATOM 366 CA GLU A 23 3.308 0.463 -14.812 1.00 0.00 C ATOM 367 C GLU A 23 4.196 -0.057 -13.688 1.00 0.00 C ATOM 368 O GLU A 23 4.137 -1.234 -13.332 1.00 0.00 O ATOM 369 CB GLU A 23 4.145 0.692 -16.072 1.00 0.00 C ATOM 370 CG GLU A 23 4.923 -0.529 -16.541 1.00 0.00 C ATOM 371 CD GLU A 23 5.766 -0.256 -17.755 1.00 0.00 C ATOM 372 OE1 GLU A 23 5.619 0.795 -18.332 1.00 0.00 O ATOM 373 OE2 GLU A 23 6.557 -1.099 -18.107 1.00 0.00 O ATOM 374 H GLU A 23 2.712 2.509 -15.012 1.00 0.00 H ATOM 375 HA GLU A 23 2.553 -0.291 -15.039 1.00 0.00 H ATOM 376 1HB GLU A 23 3.496 1.008 -16.888 1.00 0.00 H ATOM 377 2HB GLU A 23 4.860 1.495 -15.893 1.00 0.00 H ATOM 378 1HG GLU A 23 5.571 -0.867 -15.732 1.00 0.00 H ATOM 379 2HG GLU A 23 4.220 -1.331 -16.765 1.00 0.00 H ATOM 380 N ILE A 24 5.017 0.827 -13.133 1.00 0.00 N ATOM 381 CA ILE A 24 5.887 0.470 -12.018 1.00 0.00 C ATOM 382 C ILE A 24 5.078 -0.022 -10.825 1.00 0.00 C ATOM 383 O ILE A 24 5.405 -1.043 -10.219 1.00 0.00 O ATOM 384 CB ILE A 24 6.754 1.669 -11.592 1.00 0.00 C ATOM 385 CG1 ILE A 24 7.773 2.005 -12.683 1.00 0.00 C ATOM 386 CG2 ILE A 24 7.456 1.376 -10.275 1.00 0.00 C ATOM 387 CD1 ILE A 24 8.464 3.335 -12.484 1.00 0.00 C ATOM 388 H ILE A 24 5.040 1.771 -13.492 1.00 0.00 H ATOM 389 HA ILE A 24 6.554 -0.329 -12.342 1.00 0.00 H ATOM 390 HB ILE A 24 6.122 2.548 -11.468 1.00 0.00 H ATOM 391 1HG1 ILE A 24 8.535 1.227 -12.722 1.00 0.00 H ATOM 392 2HG1 ILE A 24 7.275 2.023 -13.653 1.00 0.00 H ATOM 393 1HG2 ILE A 24 8.065 2.233 -9.989 1.00 0.00 H ATOM 394 2HG2 ILE A 24 6.713 1.184 -9.502 1.00 0.00 H ATOM 395 3HG2 ILE A 24 8.094 0.500 -10.390 1.00 0.00 H ATOM 396 1HD1 ILE A 24 9.170 3.503 -13.297 1.00 0.00 H ATOM 397 2HD1 ILE A 24 7.721 4.134 -12.478 1.00 0.00 H ATOM 398 3HD1 ILE A 24 8.998 3.329 -11.536 1.00 0.00 H ATOM 399 N LEU A 25 4.020 0.709 -10.491 1.00 0.00 N ATOM 400 CA LEU A 25 3.172 0.358 -9.358 1.00 0.00 C ATOM 401 C LEU A 25 2.556 -1.024 -9.538 1.00 0.00 C ATOM 402 O LEU A 25 2.456 -1.798 -8.587 1.00 0.00 O ATOM 403 CB LEU A 25 2.061 1.401 -9.183 1.00 0.00 C ATOM 404 CG LEU A 25 2.514 2.777 -8.679 1.00 0.00 C ATOM 405 CD1 LEU A 25 1.357 3.761 -8.780 1.00 0.00 C ATOM 406 CD2 LEU A 25 3.005 2.656 -7.244 1.00 0.00 C ATOM 407 H LEU A 25 3.797 1.529 -11.036 1.00 0.00 H ATOM 408 HA LEU A 25 3.785 0.352 -8.456 1.00 0.00 H ATOM 409 1HB LEU A 25 1.567 1.546 -10.143 1.00 0.00 H ATOM 410 2HB LEU A 25 1.329 1.013 -8.476 1.00 0.00 H ATOM 411 HG LEU A 25 3.323 3.147 -9.310 1.00 0.00 H ATOM 412 1HD1 LEU A 25 1.679 4.739 -8.422 1.00 0.00 H ATOM 413 2HD1 LEU A 25 1.039 3.843 -9.820 1.00 0.00 H ATOM 414 3HD1 LEU A 25 0.525 3.408 -8.172 1.00 0.00 H ATOM 415 1HD2 LEU A 25 3.328 3.634 -6.886 1.00 0.00 H ATOM 416 2HD2 LEU A 25 2.197 2.287 -6.613 1.00 0.00 H ATOM 417 3HD2 LEU A 25 3.844 1.960 -7.204 1.00 0.00 H ATOM 418 N GLN A 26 2.145 -1.327 -10.765 1.00 0.00 N ATOM 419 CA GLN A 26 1.637 -2.653 -11.097 1.00 0.00 C ATOM 420 C GLN A 26 2.702 -3.721 -10.882 1.00 0.00 C ATOM 421 O GLN A 26 2.414 -4.806 -10.378 1.00 0.00 O ATOM 422 CB GLN A 26 1.144 -2.691 -12.545 1.00 0.00 C ATOM 423 CG GLN A 26 -0.131 -1.902 -12.789 1.00 0.00 C ATOM 424 CD GLN A 26 -0.505 -1.844 -14.259 1.00 0.00 C ATOM 425 OE1 GLN A 26 0.365 -1.842 -15.135 1.00 0.00 O ATOM 426 NE2 GLN A 26 -1.802 -1.798 -14.537 1.00 0.00 N ATOM 427 H GLN A 26 2.186 -0.621 -11.486 1.00 0.00 H ATOM 428 HA GLN A 26 0.788 -2.871 -10.447 1.00 0.00 H ATOM 429 1HB GLN A 26 1.916 -2.293 -13.204 1.00 0.00 H ATOM 430 2HB GLN A 26 0.962 -3.724 -12.841 1.00 0.00 H ATOM 431 1HG GLN A 26 -0.949 -2.376 -12.247 1.00 0.00 H ATOM 432 2HG GLN A 26 0.011 -0.882 -12.433 1.00 0.00 H ATOM 433 1HE2 GLN A 26 -2.109 -1.759 -15.489 1.00 0.00 H ATOM 434 2HE2 GLN A 26 -2.474 -1.802 -13.796 1.00 0.00 H ATOM 435 N LYS A 27 3.934 -3.406 -11.268 1.00 0.00 N ATOM 436 CA LYS A 27 5.055 -4.318 -11.072 1.00 0.00 C ATOM 437 C LYS A 27 5.382 -4.478 -9.593 1.00 0.00 C ATOM 438 O LYS A 27 5.951 -5.489 -9.179 1.00 0.00 O ATOM 439 CB LYS A 27 6.286 -3.825 -11.833 1.00 0.00 C ATOM 440 CG LYS A 27 6.168 -3.918 -13.349 1.00 0.00 C ATOM 441 CD LYS A 27 7.391 -3.328 -14.035 1.00 0.00 C ATOM 442 CE LYS A 27 7.277 -3.425 -15.549 1.00 0.00 C ATOM 443 NZ LYS A 27 8.422 -2.768 -16.237 1.00 0.00 N ATOM 444 H LYS A 27 4.099 -2.512 -11.708 1.00 0.00 H ATOM 445 HA LYS A 27 4.782 -5.293 -11.477 1.00 0.00 H ATOM 446 1HB LYS A 27 6.480 -2.783 -11.576 1.00 0.00 H ATOM 447 2HB LYS A 27 7.158 -4.404 -11.529 1.00 0.00 H ATOM 448 1HG LYS A 27 6.066 -4.963 -13.642 1.00 0.00 H ATOM 449 2HG LYS A 27 5.281 -3.378 -13.678 1.00 0.00 H ATOM 450 1HD LYS A 27 7.497 -2.280 -13.753 1.00 0.00 H ATOM 451 2HD LYS A 27 8.283 -3.865 -13.713 1.00 0.00 H ATOM 452 1HE LYS A 27 7.244 -4.472 -15.845 1.00 0.00 H ATOM 453 2HE LYS A 27 6.352 -2.949 -15.876 1.00 0.00 H ATOM 454 1HZ LYS A 27 8.308 -2.853 -17.237 1.00 0.00 H ATOM 455 2HZ LYS A 27 8.451 -1.790 -15.984 1.00 0.00 H ATOM 456 3HZ LYS A 27 9.284 -3.213 -15.957 1.00 0.00 H ATOM 457 N LEU A 28 5.020 -3.476 -8.800 1.00 0.00 N ATOM 458 CA LEU A 28 5.223 -3.529 -7.357 1.00 0.00 C ATOM 459 C LEU A 28 4.095 -4.287 -6.670 1.00 0.00 C ATOM 460 O LEU A 28 4.128 -4.505 -5.458 1.00 0.00 O ATOM 461 CB LEU A 28 5.317 -2.110 -6.783 1.00 0.00 C ATOM 462 CG LEU A 28 6.544 -1.297 -7.216 1.00 0.00 C ATOM 463 CD1 LEU A 28 6.420 0.128 -6.693 1.00 0.00 C ATOM 464 CD2 LEU A 28 7.806 -1.964 -6.690 1.00 0.00 C ATOM 465 H LEU A 28 4.593 -2.656 -9.207 1.00 0.00 H ATOM 466 HA LEU A 28 6.159 -4.050 -7.158 1.00 0.00 H ATOM 467 1HB LEU A 28 4.430 -1.554 -7.082 1.00 0.00 H ATOM 468 2HB LEU A 28 5.330 -2.175 -5.695 1.00 0.00 H ATOM 469 HG LEU A 28 6.584 -1.250 -8.304 1.00 0.00 H ATOM 470 1HD1 LEU A 28 7.292 0.705 -7.001 1.00 0.00 H ATOM 471 2HD1 LEU A 28 5.520 0.588 -7.100 1.00 0.00 H ATOM 472 3HD1 LEU A 28 6.361 0.112 -5.605 1.00 0.00 H ATOM 473 1HD2 LEU A 28 8.679 -1.387 -6.998 1.00 0.00 H ATOM 474 2HD2 LEU A 28 7.768 -2.010 -5.602 1.00 0.00 H ATOM 475 3HD2 LEU A 28 7.879 -2.974 -7.093 1.00 0.00 H ATOM 476 N GLY A 29 3.097 -4.688 -7.450 1.00 0.00 N ATOM 477 CA GLY A 29 1.975 -5.457 -6.924 1.00 0.00 C ATOM 478 C GLY A 29 0.917 -4.543 -6.319 1.00 0.00 C ATOM 479 O GLY A 29 0.204 -4.931 -5.394 1.00 0.00 O ATOM 480 H GLY A 29 3.116 -4.454 -8.432 1.00 0.00 H ATOM 481 1HA GLY A 29 1.534 -6.050 -7.725 1.00 0.00 H ATOM 482 2HA GLY A 29 2.334 -6.154 -6.168 1.00 0.00 H ATOM 483 N VAL A 30 0.819 -3.328 -6.848 1.00 0.00 N ATOM 484 CA VAL A 30 -0.159 -2.360 -6.367 1.00 0.00 C ATOM 485 C VAL A 30 -1.467 -2.467 -7.141 1.00 0.00 C ATOM 486 O VAL A 30 -1.472 -2.474 -8.372 1.00 0.00 O ATOM 487 CB VAL A 30 0.396 -0.929 -6.498 1.00 0.00 C ATOM 488 CG1 VAL A 30 -0.648 0.089 -6.065 1.00 0.00 C ATOM 489 CG2 VAL A 30 1.664 -0.788 -5.670 1.00 0.00 C ATOM 490 H VAL A 30 1.439 -3.068 -7.602 1.00 0.00 H ATOM 491 HA VAL A 30 -0.358 -2.563 -5.314 1.00 0.00 H ATOM 492 HB VAL A 30 0.622 -0.731 -7.546 1.00 0.00 H ATOM 493 1HG1 VAL A 30 -0.238 1.095 -6.164 1.00 0.00 H ATOM 494 2HG1 VAL A 30 -1.532 -0.006 -6.694 1.00 0.00 H ATOM 495 3HG1 VAL A 30 -0.920 -0.089 -5.025 1.00 0.00 H ATOM 496 1HG2 VAL A 30 2.052 0.226 -5.768 1.00 0.00 H ATOM 497 2HG2 VAL A 30 1.440 -0.991 -4.623 1.00 0.00 H ATOM 498 3HG2 VAL A 30 2.412 -1.498 -6.025 1.00 0.00 H ATOM 499 N SER A 31 -2.575 -2.549 -6.412 1.00 0.00 N ATOM 500 CA SER A 31 -3.895 -2.608 -7.029 1.00 0.00 C ATOM 501 C SER A 31 -4.143 -1.394 -7.915 1.00 0.00 C ATOM 502 O SER A 31 -3.779 -0.272 -7.563 1.00 0.00 O ATOM 503 CB SER A 31 -4.967 -2.693 -5.960 1.00 0.00 C ATOM 504 OG SER A 31 -6.247 -2.649 -6.528 1.00 0.00 O ATOM 505 H SER A 31 -2.501 -2.572 -5.405 1.00 0.00 H ATOM 506 HA SER A 31 -3.946 -3.502 -7.651 1.00 0.00 H ATOM 507 1HB SER A 31 -4.847 -3.619 -5.398 1.00 0.00 H ATOM 508 2HB SER A 31 -4.848 -1.868 -5.259 1.00 0.00 H ATOM 509 HG SER A 31 -6.840 -3.022 -5.872 1.00 0.00 H ATOM 510 N GLU A 32 -4.766 -1.625 -9.066 1.00 0.00 N ATOM 511 CA GLU A 32 -4.972 -0.570 -10.051 1.00 0.00 C ATOM 512 C GLU A 32 -5.694 0.622 -9.437 1.00 0.00 C ATOM 513 O GLU A 32 -5.332 1.773 -9.682 1.00 0.00 O ATOM 514 CB GLU A 32 -5.768 -1.103 -11.244 1.00 0.00 C ATOM 515 CG GLU A 32 -5.971 -0.094 -12.365 1.00 0.00 C ATOM 516 CD GLU A 32 -6.610 -0.696 -13.586 1.00 0.00 C ATOM 517 OE1 GLU A 32 -7.119 -1.787 -13.490 1.00 0.00 O ATOM 518 OE2 GLU A 32 -6.588 -0.065 -14.616 1.00 0.00 O ATOM 519 H GLU A 32 -5.105 -2.556 -9.263 1.00 0.00 H ATOM 520 HA GLU A 32 -3.998 -0.240 -10.414 1.00 0.00 H ATOM 521 1HB GLU A 32 -5.259 -1.971 -11.663 1.00 0.00 H ATOM 522 2HB GLU A 32 -6.752 -1.431 -10.907 1.00 0.00 H ATOM 523 1HG GLU A 32 -6.603 0.716 -12.001 1.00 0.00 H ATOM 524 2HG GLU A 32 -5.005 0.329 -12.638 1.00 0.00 H ATOM 525 N ASP A 33 -6.718 0.341 -8.639 1.00 0.00 N ATOM 526 CA ASP A 33 -7.473 1.389 -7.962 1.00 0.00 C ATOM 527 C ASP A 33 -6.569 2.227 -7.067 1.00 0.00 C ATOM 528 O ASP A 33 -6.650 3.455 -7.063 1.00 0.00 O ATOM 529 CB ASP A 33 -8.605 0.782 -7.129 1.00 0.00 C ATOM 530 CG ASP A 33 -9.742 0.238 -7.983 1.00 0.00 C ATOM 531 OD1 ASP A 33 -9.800 0.571 -9.143 1.00 0.00 O ATOM 532 OD2 ASP A 33 -10.542 -0.505 -7.467 1.00 0.00 O ATOM 533 H ASP A 33 -6.981 -0.624 -8.497 1.00 0.00 H ATOM 534 HA ASP A 33 -7.917 2.038 -8.717 1.00 0.00 H ATOM 535 1HB ASP A 33 -8.211 -0.028 -6.515 1.00 0.00 H ATOM 536 2HB ASP A 33 -9.006 1.539 -6.454 1.00 0.00 H ATOM 537 N GLU A 34 -5.708 1.556 -6.309 1.00 0.00 N ATOM 538 CA GLU A 34 -4.738 2.240 -5.462 1.00 0.00 C ATOM 539 C GLU A 34 -3.757 3.054 -6.296 1.00 0.00 C ATOM 540 O GLU A 34 -3.435 4.193 -5.957 1.00 0.00 O ATOM 541 CB GLU A 34 -3.975 1.230 -4.602 1.00 0.00 C ATOM 542 CG GLU A 34 -2.960 1.852 -3.654 1.00 0.00 C ATOM 543 CD GLU A 34 -2.287 0.839 -2.770 1.00 0.00 C ATOM 544 OE1 GLU A 34 -2.634 -0.315 -2.850 1.00 0.00 O ATOM 545 OE2 GLU A 34 -1.424 1.219 -2.015 1.00 0.00 O ATOM 546 H GLU A 34 -5.727 0.546 -6.319 1.00 0.00 H ATOM 547 HA GLU A 34 -5.275 2.916 -4.796 1.00 0.00 H ATOM 548 1HB GLU A 34 -4.682 0.655 -4.004 1.00 0.00 H ATOM 549 2HB GLU A 34 -3.445 0.529 -5.247 1.00 0.00 H ATOM 550 1HG GLU A 34 -2.200 2.368 -4.240 1.00 0.00 H ATOM 551 2HG GLU A 34 -3.464 2.591 -3.032 1.00 0.00 H ATOM 552 N ALA A 35 -3.285 2.464 -7.388 1.00 0.00 N ATOM 553 CA ALA A 35 -2.335 3.132 -8.270 1.00 0.00 C ATOM 554 C ALA A 35 -2.915 4.426 -8.826 1.00 0.00 C ATOM 555 O ALA A 35 -2.222 5.439 -8.917 1.00 0.00 O ATOM 556 CB ALA A 35 -1.925 2.206 -9.406 1.00 0.00 C ATOM 557 H ALA A 35 -3.592 1.529 -7.614 1.00 0.00 H ATOM 558 HA ALA A 35 -1.438 3.368 -7.697 1.00 0.00 H ATOM 559 1HB ALA A 35 -1.215 2.718 -10.055 1.00 0.00 H ATOM 560 2HB ALA A 35 -1.458 1.310 -8.995 1.00 0.00 H ATOM 561 3HB ALA A 35 -2.805 1.924 -9.981 1.00 0.00 H ATOM 562 N GLU A 36 -4.190 4.386 -9.197 1.00 0.00 N ATOM 563 CA GLU A 36 -4.882 5.570 -9.691 1.00 0.00 C ATOM 564 C GLU A 36 -5.037 6.615 -8.595 1.00 0.00 C ATOM 565 O GLU A 36 -4.926 7.815 -8.847 1.00 0.00 O ATOM 566 CB GLU A 36 -6.256 5.191 -10.247 1.00 0.00 C ATOM 567 CG GLU A 36 -6.214 4.435 -11.568 1.00 0.00 C ATOM 568 CD GLU A 36 -5.706 5.275 -12.707 1.00 0.00 C ATOM 569 OE1 GLU A 36 -5.844 6.473 -12.644 1.00 0.00 O ATOM 570 OE2 GLU A 36 -5.181 4.717 -13.641 1.00 0.00 O ATOM 571 H GLU A 36 -4.693 3.512 -9.134 1.00 0.00 H ATOM 572 HA GLU A 36 -4.294 6.000 -10.503 1.00 0.00 H ATOM 573 1HB GLU A 36 -6.783 4.570 -9.523 1.00 0.00 H ATOM 574 2HB GLU A 36 -6.849 6.094 -10.398 1.00 0.00 H ATOM 575 1HG GLU A 36 -5.566 3.566 -11.456 1.00 0.00 H ATOM 576 2HG GLU A 36 -7.216 4.079 -11.803 1.00 0.00 H ATOM 577 N GLU A 37 -5.296 6.153 -7.376 1.00 0.00 N ATOM 578 CA GLU A 37 -5.386 7.041 -6.223 1.00 0.00 C ATOM 579 C GLU A 37 -4.051 7.717 -5.942 1.00 0.00 C ATOM 580 O GLU A 37 -4.000 8.903 -5.616 1.00 0.00 O ATOM 581 CB GLU A 37 -5.846 6.265 -4.987 1.00 0.00 C ATOM 582 CG GLU A 37 -5.880 7.086 -3.706 1.00 0.00 C ATOM 583 CD GLU A 37 -6.844 8.238 -3.773 1.00 0.00 C ATOM 584 OE1 GLU A 37 -7.721 8.205 -4.602 1.00 0.00 O ATOM 585 OE2 GLU A 37 -6.702 9.151 -2.995 1.00 0.00 O ATOM 586 H GLU A 37 -5.434 5.161 -7.245 1.00 0.00 H ATOM 587 HA GLU A 37 -6.130 7.811 -6.436 1.00 0.00 H ATOM 588 1HB GLU A 37 -6.848 5.870 -5.157 1.00 0.00 H ATOM 589 2HB GLU A 37 -5.183 5.416 -4.823 1.00 0.00 H ATOM 590 1HG GLU A 37 -6.165 6.437 -2.878 1.00 0.00 H ATOM 591 2HG GLU A 37 -4.879 7.467 -3.505 1.00 0.00 H ATOM 592 N ILE A 38 -2.969 6.955 -6.070 1.00 0.00 N ATOM 593 CA ILE A 38 -1.626 7.501 -5.922 1.00 0.00 C ATOM 594 C ILE A 38 -1.369 8.615 -6.929 1.00 0.00 C ATOM 595 O ILE A 38 -0.859 9.678 -6.576 1.00 0.00 O ATOM 596 CB ILE A 38 -0.563 6.400 -6.092 1.00 0.00 C ATOM 597 CG1 ILE A 38 -0.618 5.419 -4.918 1.00 0.00 C ATOM 598 CG2 ILE A 38 0.823 7.012 -6.214 1.00 0.00 C ATOM 599 CD1 ILE A 38 0.177 4.153 -5.141 1.00 0.00 C ATOM 600 H ILE A 38 -3.081 5.973 -6.276 1.00 0.00 H ATOM 601 HA ILE A 38 -1.528 7.910 -4.916 1.00 0.00 H ATOM 602 HB ILE A 38 -0.777 5.825 -6.993 1.00 0.00 H ATOM 603 1HG1 ILE A 38 -0.239 5.906 -4.019 1.00 0.00 H ATOM 604 2HG1 ILE A 38 -1.654 5.140 -4.725 1.00 0.00 H ATOM 605 1HG2 ILE A 38 1.562 6.220 -6.333 1.00 0.00 H ATOM 606 2HG2 ILE A 38 0.855 7.671 -7.081 1.00 0.00 H ATOM 607 3HG2 ILE A 38 1.048 7.586 -5.314 1.00 0.00 H ATOM 608 1HD1 ILE A 38 0.089 3.509 -4.266 1.00 0.00 H ATOM 609 2HD1 ILE A 38 -0.210 3.631 -6.017 1.00 0.00 H ATOM 610 3HD1 ILE A 38 1.224 4.405 -5.302 1.00 0.00 H ATOM 611 N LEU A 39 -1.726 8.365 -8.184 1.00 0.00 N ATOM 612 CA LEU A 39 -1.529 9.344 -9.246 1.00 0.00 C ATOM 613 C LEU A 39 -2.364 10.594 -9.005 1.00 0.00 C ATOM 614 O LEU A 39 -1.922 11.710 -9.279 1.00 0.00 O ATOM 615 CB LEU A 39 -1.894 8.732 -10.605 1.00 0.00 C ATOM 616 CG LEU A 39 -0.966 7.618 -11.104 1.00 0.00 C ATOM 617 CD1 LEU A 39 -1.542 7.006 -12.374 1.00 0.00 C ATOM 618 CD2 LEU A 39 0.423 8.187 -11.353 1.00 0.00 C ATOM 619 H LEU A 39 -2.145 7.473 -8.408 1.00 0.00 H ATOM 620 HA LEU A 39 -0.476 9.625 -9.267 1.00 0.00 H ATOM 621 1HB LEU A 39 -2.900 8.321 -10.542 1.00 0.00 H ATOM 622 2HB LEU A 39 -1.894 9.524 -11.354 1.00 0.00 H ATOM 623 HG LEU A 39 -0.905 6.830 -10.352 1.00 0.00 H ATOM 624 1HD1 LEU A 39 -0.883 6.214 -12.728 1.00 0.00 H ATOM 625 2HD1 LEU A 39 -2.527 6.590 -12.162 1.00 0.00 H ATOM 626 3HD1 LEU A 39 -1.630 7.775 -13.140 1.00 0.00 H ATOM 627 1HD2 LEU A 39 1.083 7.395 -11.707 1.00 0.00 H ATOM 628 2HD2 LEU A 39 0.364 8.974 -12.106 1.00 0.00 H ATOM 629 3HD2 LEU A 39 0.818 8.602 -10.426 1.00 0.00 H ATOM 630 N ARG A 40 -3.574 10.402 -8.489 1.00 0.00 N ATOM 631 CA ARG A 40 -4.443 11.518 -8.138 1.00 0.00 C ATOM 632 C ARG A 40 -3.831 12.365 -7.029 1.00 0.00 C ATOM 633 O ARG A 40 -3.898 13.594 -7.065 1.00 0.00 O ATOM 634 CB ARG A 40 -5.808 11.014 -7.692 1.00 0.00 C ATOM 635 CG ARG A 40 -6.717 10.548 -8.818 1.00 0.00 C ATOM 636 CD ARG A 40 -8.117 10.370 -8.355 1.00 0.00 C ATOM 637 NE ARG A 40 -8.253 9.229 -7.464 1.00 0.00 N ATOM 638 CZ ARG A 40 -8.564 7.980 -7.862 1.00 0.00 C ATOM 639 NH1 ARG A 40 -8.769 7.728 -9.136 1.00 0.00 N ATOM 640 NH2 ARG A 40 -8.665 7.009 -6.972 1.00 0.00 N ATOM 641 H ARG A 40 -3.899 9.458 -8.338 1.00 0.00 H ATOM 642 HA ARG A 40 -4.579 12.143 -9.021 1.00 0.00 H ATOM 643 1HB ARG A 40 -5.680 10.178 -7.005 1.00 0.00 H ATOM 644 2HB ARG A 40 -6.329 11.804 -7.152 1.00 0.00 H ATOM 645 1HG ARG A 40 -6.712 11.288 -9.619 1.00 0.00 H ATOM 646 2HG ARG A 40 -6.359 9.593 -9.204 1.00 0.00 H ATOM 647 1HD ARG A 40 -8.439 11.262 -7.819 1.00 0.00 H ATOM 648 2HD ARG A 40 -8.767 10.210 -9.215 1.00 0.00 H ATOM 649 HE ARG A 40 -8.103 9.384 -6.476 1.00 0.00 H ATOM 650 1HH1 ARG A 40 -8.692 8.471 -9.817 1.00 0.00 H ATOM 651 2HH1 ARG A 40 -9.002 6.792 -9.435 1.00 0.00 H ATOM 652 1HH2 ARG A 40 -8.507 7.203 -5.992 1.00 0.00 H ATOM 653 2HH2 ARG A 40 -8.898 6.073 -7.270 1.00 0.00 H ATOM 654 N ARG A 41 -3.234 11.701 -6.045 1.00 0.00 N ATOM 655 CA ARG A 41 -2.591 12.393 -4.935 1.00 0.00 C ATOM 656 C ARG A 41 -1.356 13.154 -5.401 1.00 0.00 C ATOM 657 O ARG A 41 -1.052 14.233 -4.893 1.00 0.00 O ATOM 658 CB ARG A 41 -2.194 11.405 -3.847 1.00 0.00 C ATOM 659 CG ARG A 41 -3.357 10.797 -3.080 1.00 0.00 C ATOM 660 CD ARG A 41 -2.899 9.765 -2.115 1.00 0.00 C ATOM 661 NE ARG A 41 -4.015 9.111 -1.449 1.00 0.00 N ATOM 662 CZ ARG A 41 -3.892 8.235 -0.434 1.00 0.00 C ATOM 663 NH1 ARG A 41 -2.700 7.918 0.021 1.00 0.00 N ATOM 664 NH2 ARG A 41 -4.971 7.694 0.106 1.00 0.00 N ATOM 665 H ARG A 41 -3.226 10.691 -6.067 1.00 0.00 H ATOM 666 HA ARG A 41 -3.301 13.104 -4.512 1.00 0.00 H ATOM 667 1HB ARG A 41 -1.626 10.587 -4.288 1.00 0.00 H ATOM 668 2HB ARG A 41 -1.546 11.901 -3.124 1.00 0.00 H ATOM 669 1HG ARG A 41 -3.876 11.579 -2.525 1.00 0.00 H ATOM 670 2HG ARG A 41 -4.050 10.328 -3.780 1.00 0.00 H ATOM 671 1HD ARG A 41 -2.324 9.004 -2.642 1.00 0.00 H ATOM 672 2HD ARG A 41 -2.274 10.231 -1.354 1.00 0.00 H ATOM 673 HE ARG A 41 -4.948 9.330 -1.772 1.00 0.00 H ATOM 674 1HH1 ARG A 41 -1.876 8.331 -0.391 1.00 0.00 H ATOM 675 2HH1 ARG A 41 -2.609 7.261 0.782 1.00 0.00 H ATOM 676 1HH2 ARG A 41 -5.887 7.938 -0.244 1.00 0.00 H ATOM 677 2HH2 ARG A 41 -4.879 7.037 0.867 1.00 0.00 H ATOM 678 N LEU A 42 -0.648 12.585 -6.370 1.00 0.00 N ATOM 679 CA LEU A 42 0.537 13.224 -6.929 1.00 0.00 C ATOM 680 C LEU A 42 0.166 14.464 -7.733 1.00 0.00 C ATOM 681 O LEU A 42 0.811 15.506 -7.617 1.00 0.00 O ATOM 682 CB LEU A 42 1.300 12.238 -7.822 1.00 0.00 C ATOM 683 CG LEU A 42 1.976 11.068 -7.095 1.00 0.00 C ATOM 684 CD1 LEU A 42 2.496 10.067 -8.117 1.00 0.00 C ATOM 685 CD2 LEU A 42 3.106 11.597 -6.224 1.00 0.00 C ATOM 686 H LEU A 42 -0.938 11.686 -6.729 1.00 0.00 H ATOM 687 HA LEU A 42 1.190 13.522 -6.108 1.00 0.00 H ATOM 688 1HB LEU A 42 0.606 11.819 -8.549 1.00 0.00 H ATOM 689 2HB LEU A 42 2.074 12.784 -8.362 1.00 0.00 H ATOM 690 HG LEU A 42 1.244 10.557 -6.469 1.00 0.00 H ATOM 691 1HD1 LEU A 42 2.976 9.235 -7.600 1.00 0.00 H ATOM 692 2HD1 LEU A 42 1.665 9.690 -8.713 1.00 0.00 H ATOM 693 3HD1 LEU A 42 3.220 10.555 -8.769 1.00 0.00 H ATOM 694 1HD2 LEU A 42 3.586 10.766 -5.706 1.00 0.00 H ATOM 695 2HD2 LEU A 42 3.839 12.107 -6.849 1.00 0.00 H ATOM 696 3HD2 LEU A 42 2.704 12.297 -5.491 1.00 0.00 H ATOM 697 N GLY A 43 -0.876 14.345 -8.548 1.00 0.00 N ATOM 698 CA GLY A 43 -1.362 15.468 -9.340 1.00 0.00 C ATOM 699 C GLY A 43 -0.829 15.408 -10.766 1.00 0.00 C ATOM 700 O GLY A 43 0.264 14.897 -11.009 1.00 0.00 O ATOM 701 OXT GLY A 43 -1.477 15.863 -11.668 1.00 0.00 O ATOM 702 H GLY A 43 -1.344 13.453 -8.621 1.00 0.00 H ATOM 703 1HA GLY A 43 -2.452 15.459 -9.355 1.00 0.00 H ATOM 704 2HA GLY A 43 -1.055 16.403 -8.872 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE nods_bigger.blueprint.44_try329_pass_20150520135725_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 rama omega fa_dun p_aa_pp ref total weights 0.8 0.44 0.75 0.004 0.7 1 1.17 1.17 1.17 1.1 1 0.2 0.5 0.56 0.32 1 NA pose -173.34 15.7425 105.222 0.30018 -29.5785 0 -23.6017 -1.7511 -1.70021 -7.79692 0 -6.35348 1.91601 48.7701 -5.6595 -15.821 -93.6515 GLY:NtermProteinFull_1 -1.54639 0.12675 1.47363 0.00017 -0.86902 0 0 0 -0.40663 0 0 0 0.01456 0 0 0.14053 -1.0664 GLN_2 -2.90412 0.27732 2.3606 0.00679 -0.15288 0 0 0 0 -0.16454 0 -0.17035 0.03564 2.00437 -0.14152 -1.17797 -0.02665 GLU_3 -3.13877 0.35213 2.15083 0.0077 -0.86602 0 0 0 0 -0.45057 0 -0.08572 6e-05 2.26826 -0.10223 -1.55374 -1.41807 ALA_4 -3.49367 0.35445 1.3941 0.00074 -0.13854 0 0 0 0 0 0 -0.18834 0.08913 0 -0.19403 0.59294 -1.58321 GLU_5 -5.27971 0.33902 3.61752 0.0066 -1.02542 0 0 0 0 -0.41855 0 -0.18897 8e-05 2.28866 -0.097 -1.55374 -2.31151 GLU_6 -4.72466 0.31538 3.64146 0.00575 -1.49586 0 0 0 0 -0.49665 0 -0.25088 0.08762 2.4245 -0.15636 -1.55374 -2.20345 ARG_7 -4.41668 0.26356 2.87425 0.00957 -1.00897 0 0 0 0 -0.45057 0 -0.2172 0.16475 1.57609 -0.09382 -0.14916 -1.44818 ALA_8 -3.98526 0.43246 1.60511 0.00073 -0.29074 0 0 0 0 0 0 -0.16057 0.0496 0 -0.17924 0.59294 -1.93495 ARG_9 -5.6984 0.65814 4.23138 0.01601 -1.86741 0 0 0 0 -0.52068 0 -0.12482 0.01461 1.5415 -0.08734 -0.14916 -1.98617 GLU_10 -4.21528 0.365 3.04448 0.00754 -0.54428 0 0 0 0 0 0 0.00435 0.02419 2.0893 -0.09707 -1.55374 -0.87551 GLU_11 -5.85648 0.34232 4.14648 0.00491 -2.09609 0 0 0 0 -0.84124 0 -0.24705 0.09216 2.37421 -0.16759 -1.55374 -3.80212 TRP_12 -6.33495 0.46148 2.828 0.02496 -0.30873 0 0 0 -0.03367 0 0 -0.1511 0.02307 1.25166 -0.016 0.92933 -1.32596 GLU_13 -3.70361 0.33451 2.56802 0.00469 -0.74759 0 0 0 0 -0.18857 0 -0.26013 0.16872 2.16384 -0.13733 -1.55374 -1.35119 LYS_14 -3.24687 0.27262 2.52885 0.00312 -1.19564 0 0 0 0 -0.27368 0 -0.20933 0.06171 0.85609 -0.04855 -0.28737 -1.53906 GLY_15 -1.2484 0.11753 0.83239 4e-05 0.03876 0 0 0 0 0 0 0.33922 0.0186 0 -1.07771 0.14053 -0.83905 ARG_16 -4.85598 0.39326 3.05919 0.01321 -0.76482 0 0 0 0 -0.56756 0 -0.22513 3e-05 1.99231 -0.06943 -0.14916 -1.17407 SER_17 -3.24308 0.3774 2.2298 0.00174 -0.72343 0 0 0 -0.18221 0 0 -0.29228 0.00598 0.53171 -0.04948 0.17658 -1.16727 LYS_18 -3.57793 0.27386 2.39135 0.00313 -1.35619 0 0 0 -0.2276 0 0 -0.22132 0.02302 0.75445 -0.04648 -0.28737 -2.27107 ASP_19 -2.41637 0.26239 1.6682 0.00334 -0.11452 0 0 0 -0.02994 0 0 -0.15534 0.08973 1.34024 0.00048 -1.28682 -0.63861 GLN_20 -4.58235 0.3633 2.8919 0.00344 -0.21423 0 0 0 -0.15227 0 0 -0.16918 0.072 1.97552 -0.13529 -1.17797 -1.12512 ILE_21 -6.12998 0.42563 2.0828 0.0206 -0.28892 0 0 0 0 0 0 -0.02053 0.03237 0.07736 -0.10519 0.8318 -3.07406 LYS_22 -5.19526 0.44933 3.57637 0.00518 -1.67581 0 0 0 0 -0.84591 0 -0.15309 0.09784 0.9294 -0.04401 -0.28737 -3.14334 GLU_23 -4.13992 0.38522 2.87369 0.00783 -0.72031 0 0 0 0 0 0 -0.059 0.02187 2.15741 -0.09169 -1.55374 -1.11864 ILE_24 -4.58482 0.49481 2.35929 0.02043 -0.22804 0 0 0 0 0 0 0.00688 0.00347 0.06889 -0.07212 0.8318 -1.0994 LEU_25 -6.39636 0.65463 1.85873 0.00649 -0.33367 0 0 0 0 0 0 -0.09464 0.12557 0.2828 -0.12049 0.60233 -3.41463 GLN_26 -3.8058 0.42085 2.44439 0.00361 -0.2068 0 0 0 0 0 0 -0.13158 0.02816 1.93945 -0.10859 -1.17797 -0.59428 LYS_27 -2.91611 0.38461 1.90444 0.00321 -0.49081 0 0 0 0 0 0 -0.27682 0.03557 0.73228 -0.03908 -0.28737 -0.95009 LEU_28 -3.39029 0.46922 1.16281 0.00718 -0.00499 0 0 0 0 0 0 -0.20411 0.01649 0.07021 -0.08883 0.60233 -1.35997 GLY_29 -1.34188 0.30719 0.88118 2e-05 0.03054 0 0 0 0 0 0 -0.28898 0.00098 0 -0.78277 0.14053 -1.0532 VAL_30 -3.74547 0.49757 1.4517 0.01304 -0.06221 0 0 0 0 0 0 -0.22155 0.02437 0.01762 -0.20851 0.74484 -1.48859 SER_31 -2.42552 0.36077 1.77536 0.00167 -0.55834 0 0 0 0 0 0 -0.24441 0.11727 0.33379 -0.01931 0.17658 -0.48213 GLU_32 -2.83308 0.32137 2.29014 0.00615 -0.96712 0 0 0 0 -0.44682 0 -0.14875 0.01174 2.33388 -0.08472 -1.55374 -1.07096 ASP_33 -2.37137 0.24146 1.66652 0.00338 -0.18601 0 0 0 0 0 0 -0.06692 0.05654 1.29454 0.05221 -1.28682 -0.59646 GLU_34 -4.34191 0.44371 3.08359 0.00693 -1.24922 0 0 0 -0.40663 0 0 -0.20685 0.00032 2.3488 -0.11149 -1.55374 -1.98649 ALA_35 -4.31897 0.35278 1.85699 0.00074 -0.23985 0 0 0 0 0 0 -0.16701 0.03621 0 -0.18941 0.59294 -2.07558 GLU_36 -4.69664 0.29485 3.54144 0.00562 -1.1001 0 0 0 0 -0.39909 0 -0.24816 0.07306 2.61872 -0.1428 -1.55374 -1.60683 GLU_37 -5.61597 0.41785 4.28562 0.01093 -1.67038 0 0 0 0 -0.65697 0 -0.2318 0.09575 2.64074 -0.11962 -1.55374 -2.39759 ILE_38 -5.91818 0.5195 2.0613 0.02063 -0.39986 0 0 0 0 0 0 0.01232 0.00042 0.07547 -0.07103 0.8318 -2.86761 LEU_39 -5.06941 0.30116 2.00617 0.00704 -0.21811 0 0 0 0 0 0 -0.12416 0.06529 0.17715 -0.12404 0.60233 -2.3766 ARG_40 -4.61329 0.37547 3.63092 0.01107 -0.93253 0 0 0 0 -0.30842 0 -0.20071 0.00478 1.61125 -0.08627 -0.14916 -0.65689 ARG_41 -3.84731 0.25321 3.04237 0.00767 -1.35183 0 0 0 0 -0.76711 0 -0.22867 0.01159 1.27875 -0.10268 -0.14916 -1.85318 LEU_42 -5.07408 0.51985 1.56421 0.00648 0.12762 0 0 0 0 0 0 -0.08079 0.02107 0.34883 -0.10306 0.60233 -2.06754 GLY:CtermProteinFull_43 -2.09948 0.16858 2.28468 0.0001 -1.11015 0 0 0 -0.26127 0 0 0 0 0 0 0.14053 -0.877 #END_POSE_ENERGIES_TABLE nods_bigger.blueprint.44_try329_pass_20150520135725_0001.pdb AlaCount 3 bb -0.0407139 buried_minus_exposed 3551.91 buried_np 5052.46 buried_over_exposed 3.36706 cavity_volume 0 contact_all 250 contact_core_SASA 250 contact_core_SCN 250 degree 10.0698 degree_core_SASA 10.0698 degree_core_SCN 10.0698 exposed_hydrophobics 1500.54 holes 1.76188 mismatch_probability 0.0992051 one_core_each 1 pack 0.60502 percent_core_SASA 0.116252 percent_core_SCN 0.162753 res_count_core_SASA 5 res_count_core_SCN 7 ss_sc 0.724531 two_core_each 0.666667 unsat_hbond 3
HHH_rd2_0090.pdb
ATOM 1 N GLY A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA GLY A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C GLY A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O GLY A 1 2.040 2.084 -1.036 1.00 0.00 O ATOM 5 1H GLY A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 6 2H GLY A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 7 3H GLY A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 8 1HA GLY A 1 1.822 -0.535 0.877 1.00 0.00 H ATOM 9 2HA GLY A 1 1.822 -0.535 -0.876 1.00 0.00 H ATOM 10 N THR A 2 2.443 1.881 1.168 1.00 0.00 N ATOM 11 CA THR A 2 2.988 3.226 1.306 1.00 0.00 C ATOM 12 C THR A 2 4.240 3.404 0.458 1.00 0.00 C ATOM 13 O THR A 2 4.370 4.382 -0.278 1.00 0.00 O ATOM 14 CB THR A 2 3.310 3.545 2.778 1.00 0.00 C ATOM 15 OG1 THR A 2 2.103 3.522 3.551 1.00 0.00 O ATOM 16 CG2 THR A 2 3.957 4.917 2.897 1.00 0.00 C ATOM 17 H THR A 2 2.395 1.284 1.981 1.00 0.00 H ATOM 18 HA THR A 2 2.234 3.941 0.971 1.00 0.00 H ATOM 19 HB THR A 2 3.992 2.793 3.172 1.00 0.00 H ATOM 20 HG1 THR A 2 1.798 4.421 3.695 1.00 0.00 H ATOM 21 1HG2 THR A 2 4.178 5.125 3.944 1.00 0.00 H ATOM 22 2HG2 THR A 2 4.881 4.934 2.320 1.00 0.00 H ATOM 23 3HG2 THR A 2 3.275 5.675 2.513 1.00 0.00 H ATOM 24 N GLU A 3 5.161 2.452 0.565 1.00 0.00 N ATOM 25 CA GLU A 3 6.415 2.511 -0.176 1.00 0.00 C ATOM 26 C GLU A 3 6.184 2.295 -1.666 1.00 0.00 C ATOM 27 O GLU A 3 6.904 2.841 -2.502 1.00 0.00 O ATOM 28 CB GLU A 3 7.399 1.466 0.354 1.00 0.00 C ATOM 29 CG GLU A 3 7.864 1.709 1.783 1.00 0.00 C ATOM 30 CD GLU A 3 8.547 3.037 1.958 1.00 0.00 C ATOM 31 OE1 GLU A 3 9.446 3.325 1.205 1.00 0.00 O ATOM 32 OE2 GLU A 3 8.169 3.764 2.846 1.00 0.00 O ATOM 33 H GLU A 3 4.988 1.666 1.177 1.00 0.00 H ATOM 34 HA GLU A 3 6.856 3.498 -0.031 1.00 0.00 H ATOM 35 1HB GLU A 3 6.937 0.479 0.316 1.00 0.00 H ATOM 36 2HB GLU A 3 8.281 1.440 -0.285 1.00 0.00 H ATOM 37 1HG GLU A 3 7.001 1.667 2.447 1.00 0.00 H ATOM 38 2HG GLU A 3 8.548 0.913 2.071 1.00 0.00 H ATOM 39 N ASP A 4 5.175 1.494 -1.994 1.00 0.00 N ATOM 40 CA ASP A 4 4.791 1.274 -3.383 1.00 0.00 C ATOM 41 C ASP A 4 4.341 2.571 -4.042 1.00 0.00 C ATOM 42 O ASP A 4 4.698 2.854 -5.186 1.00 0.00 O ATOM 43 CB ASP A 4 3.671 0.235 -3.471 1.00 0.00 C ATOM 44 CG ASP A 4 4.143 -1.175 -3.140 1.00 0.00 C ATOM 45 OD1 ASP A 4 5.330 -1.400 -3.149 1.00 0.00 O ATOM 46 OD2 ASP A 4 3.312 -2.012 -2.880 1.00 0.00 O ATOM 47 H ASP A 4 4.661 1.026 -1.261 1.00 0.00 H ATOM 48 HA ASP A 4 5.656 0.888 -3.924 1.00 0.00 H ATOM 49 1HB ASP A 4 2.869 0.505 -2.784 1.00 0.00 H ATOM 50 2HB ASP A 4 3.253 0.235 -4.479 1.00 0.00 H ATOM 51 N LEU A 5 3.556 3.358 -3.314 1.00 0.00 N ATOM 52 CA LEU A 5 3.108 4.657 -3.802 1.00 0.00 C ATOM 53 C LEU A 5 4.285 5.599 -4.022 1.00 0.00 C ATOM 54 O LEU A 5 4.299 6.379 -4.974 1.00 0.00 O ATOM 55 CB LEU A 5 2.121 5.284 -2.810 1.00 0.00 C ATOM 56 CG LEU A 5 0.740 4.620 -2.736 1.00 0.00 C ATOM 57 CD1 LEU A 5 -0.035 5.189 -1.555 1.00 0.00 C ATOM 58 CD2 LEU A 5 -0.006 4.850 -4.041 1.00 0.00 C ATOM 59 H LEU A 5 3.262 3.048 -2.399 1.00 0.00 H ATOM 60 HA LEU A 5 2.595 4.511 -4.754 1.00 0.00 H ATOM 61 1HB LEU A 5 2.559 5.249 -1.814 1.00 0.00 H ATOM 62 2HB LEU A 5 1.971 6.329 -3.082 1.00 0.00 H ATOM 63 HG LEU A 5 0.860 3.549 -2.570 1.00 0.00 H ATOM 64 1HD1 LEU A 5 -1.016 4.717 -1.502 1.00 0.00 H ATOM 65 2HD1 LEU A 5 0.512 4.993 -0.632 1.00 0.00 H ATOM 66 3HD1 LEU A 5 -0.156 6.264 -1.684 1.00 0.00 H ATOM 67 1HD2 LEU A 5 -0.987 4.377 -3.989 1.00 0.00 H ATOM 68 2HD2 LEU A 5 -0.128 5.921 -4.207 1.00 0.00 H ATOM 69 3HD2 LEU A 5 0.561 4.418 -4.866 1.00 0.00 H ATOM 70 N LYS A 6 5.271 5.521 -3.135 1.00 0.00 N ATOM 71 CA LYS A 6 6.499 6.293 -3.286 1.00 0.00 C ATOM 72 C LYS A 6 7.225 5.927 -4.574 1.00 0.00 C ATOM 73 O LYS A 6 7.745 6.797 -5.273 1.00 0.00 O ATOM 74 CB LYS A 6 7.419 6.075 -2.084 1.00 0.00 C ATOM 75 CG LYS A 6 6.927 6.711 -0.791 1.00 0.00 C ATOM 76 CD LYS A 6 7.874 6.421 0.364 1.00 0.00 C ATOM 77 CE LYS A 6 7.341 6.985 1.673 1.00 0.00 C ATOM 78 NZ LYS A 6 8.205 6.621 2.829 1.00 0.00 N ATOM 79 H LYS A 6 5.168 4.912 -2.336 1.00 0.00 H ATOM 80 HA LYS A 6 6.240 7.352 -3.318 1.00 0.00 H ATOM 81 1HB LYS A 6 7.539 5.006 -1.906 1.00 0.00 H ATOM 82 2HB LYS A 6 8.407 6.483 -2.302 1.00 0.00 H ATOM 83 1HG LYS A 6 6.849 7.791 -0.923 1.00 0.00 H ATOM 84 2HG LYS A 6 5.939 6.321 -0.547 1.00 0.00 H ATOM 85 1HD LYS A 6 8.001 5.342 0.468 1.00 0.00 H ATOM 86 2HD LYS A 6 8.847 6.866 0.157 1.00 0.00 H ATOM 87 1HE LYS A 6 7.285 8.070 1.605 1.00 0.00 H ATOM 88 2HE LYS A 6 6.337 6.602 1.852 1.00 0.00 H ATOM 89 1HZ LYS A 6 7.818 7.013 3.676 1.00 0.00 H ATOM 90 2HZ LYS A 6 8.249 5.615 2.913 1.00 0.00 H ATOM 91 3HZ LYS A 6 9.135 6.987 2.683 1.00 0.00 H ATOM 92 N GLU A 7 7.257 4.635 -4.883 1.00 0.00 N ATOM 93 CA GLU A 7 7.899 4.154 -6.100 1.00 0.00 C ATOM 94 C GLU A 7 7.113 4.569 -7.338 1.00 0.00 C ATOM 95 O GLU A 7 7.692 4.852 -8.387 1.00 0.00 O ATOM 96 CB GLU A 7 8.043 2.631 -6.062 1.00 0.00 C ATOM 97 CG GLU A 7 9.043 2.120 -5.035 1.00 0.00 C ATOM 98 CD GLU A 7 10.437 2.628 -5.272 1.00 0.00 C ATOM 99 OE1 GLU A 7 10.901 2.538 -6.384 1.00 0.00 O ATOM 100 OE2 GLU A 7 11.040 3.107 -4.341 1.00 0.00 O ATOM 101 H GLU A 7 6.826 3.969 -4.258 1.00 0.00 H ATOM 102 HA GLU A 7 8.898 4.588 -6.159 1.00 0.00 H ATOM 103 1HB GLU A 7 7.075 2.180 -5.841 1.00 0.00 H ATOM 104 2HB GLU A 7 8.356 2.270 -7.042 1.00 0.00 H ATOM 105 1HG GLU A 7 8.719 2.431 -4.042 1.00 0.00 H ATOM 106 2HG GLU A 7 9.049 1.031 -5.060 1.00 0.00 H ATOM 107 N GLU A 8 5.791 4.603 -7.209 1.00 0.00 N ATOM 108 CA GLU A 8 4.929 5.086 -8.281 1.00 0.00 C ATOM 109 C GLU A 8 5.111 6.582 -8.501 1.00 0.00 C ATOM 110 O GLU A 8 5.026 7.068 -9.629 1.00 0.00 O ATOM 111 CB GLU A 8 3.463 4.781 -7.965 1.00 0.00 C ATOM 112 CG GLU A 8 3.098 3.305 -8.037 1.00 0.00 C ATOM 113 CD GLU A 8 3.329 2.712 -9.399 1.00 0.00 C ATOM 114 OE1 GLU A 8 2.845 3.265 -10.357 1.00 0.00 O ATOM 115 OE2 GLU A 8 3.990 1.703 -9.481 1.00 0.00 O ATOM 116 H GLU A 8 5.373 4.285 -6.347 1.00 0.00 H ATOM 117 HA GLU A 8 5.194 4.563 -9.201 1.00 0.00 H ATOM 118 1HB GLU A 8 3.226 5.136 -6.962 1.00 0.00 H ATOM 119 2HB GLU A 8 2.821 5.319 -8.663 1.00 0.00 H ATOM 120 1HG GLU A 8 3.696 2.758 -7.309 1.00 0.00 H ATOM 121 2HG GLU A 8 2.050 3.188 -7.768 1.00 0.00 H ATOM 122 N ALA A 9 5.361 7.309 -7.417 1.00 0.00 N ATOM 123 CA ALA A 9 5.693 8.726 -7.505 1.00 0.00 C ATOM 124 C ALA A 9 6.998 8.940 -8.260 1.00 0.00 C ATOM 125 O ALA A 9 7.112 9.857 -9.074 1.00 0.00 O ATOM 126 CB ALA A 9 5.781 9.336 -6.113 1.00 0.00 C ATOM 127 H ALA A 9 5.320 6.868 -6.510 1.00 0.00 H ATOM 128 HA ALA A 9 4.891 9.237 -8.039 1.00 0.00 H ATOM 129 1HB ALA A 9 6.030 10.394 -6.195 1.00 0.00 H ATOM 130 2HB ALA A 9 4.822 9.227 -5.607 1.00 0.00 H ATOM 131 3HB ALA A 9 6.554 8.825 -5.541 1.00 0.00 H ATOM 132 N LYS A 10 7.981 8.089 -7.987 1.00 0.00 N ATOM 133 CA LYS A 10 9.239 8.109 -8.724 1.00 0.00 C ATOM 134 C LYS A 10 9.006 7.919 -10.217 1.00 0.00 C ATOM 135 O LYS A 10 9.574 8.636 -11.040 1.00 0.00 O ATOM 136 CB LYS A 10 10.185 7.029 -8.197 1.00 0.00 C ATOM 137 CG LYS A 10 10.743 7.304 -6.807 1.00 0.00 C ATOM 138 CD LYS A 10 11.626 6.161 -6.330 1.00 0.00 C ATOM 139 CE LYS A 10 12.130 6.404 -4.915 1.00 0.00 C ATOM 140 NZ LYS A 10 12.929 5.256 -4.404 1.00 0.00 N ATOM 141 H LYS A 10 7.853 7.411 -7.250 1.00 0.00 H ATOM 142 HA LYS A 10 9.718 9.076 -8.565 1.00 0.00 H ATOM 143 1HB LYS A 10 9.663 6.072 -8.165 1.00 0.00 H ATOM 144 2HB LYS A 10 11.028 6.919 -8.880 1.00 0.00 H ATOM 145 1HG LYS A 10 11.331 8.222 -6.827 1.00 0.00 H ATOM 146 2HG LYS A 10 9.921 7.435 -6.105 1.00 0.00 H ATOM 147 1HD LYS A 10 11.058 5.230 -6.349 1.00 0.00 H ATOM 148 2HD LYS A 10 12.481 6.058 -6.997 1.00 0.00 H ATOM 149 1HE LYS A 10 12.751 7.298 -4.899 1.00 0.00 H ATOM 150 2HE LYS A 10 11.282 6.564 -4.249 1.00 0.00 H ATOM 151 1HZ LYS A 10 13.244 5.456 -3.465 1.00 0.00 H ATOM 152 2HZ LYS A 10 12.356 4.424 -4.397 1.00 0.00 H ATOM 153 3HZ LYS A 10 13.729 5.109 -5.003 1.00 0.00 H ATOM 154 N LYS A 11 8.166 6.948 -10.561 1.00 0.00 N ATOM 155 CA LYS A 11 7.821 6.691 -11.954 1.00 0.00 C ATOM 156 C LYS A 11 7.206 7.923 -12.605 1.00 0.00 C ATOM 157 O LYS A 11 7.575 8.298 -13.718 1.00 0.00 O ATOM 158 CB LYS A 11 6.859 5.506 -12.057 1.00 0.00 C ATOM 159 CG LYS A 11 7.478 4.160 -11.707 1.00 0.00 C ATOM 160 CD LYS A 11 6.445 3.045 -11.764 1.00 0.00 C ATOM 161 CE LYS A 11 7.023 1.728 -11.265 1.00 0.00 C ATOM 162 NZ LYS A 11 6.001 0.647 -11.239 1.00 0.00 N ATOM 163 H LYS A 11 7.757 6.372 -9.838 1.00 0.00 H ATOM 164 HA LYS A 11 8.731 6.428 -12.493 1.00 0.00 H ATOM 165 1HB LYS A 11 6.010 5.667 -11.392 1.00 0.00 H ATOM 166 2HB LYS A 11 6.469 5.442 -13.074 1.00 0.00 H ATOM 167 1HG LYS A 11 8.282 3.936 -12.410 1.00 0.00 H ATOM 168 2HG LYS A 11 7.899 4.203 -10.703 1.00 0.00 H ATOM 169 1HD LYS A 11 5.586 3.312 -11.147 1.00 0.00 H ATOM 170 2HD LYS A 11 6.106 2.915 -12.792 1.00 0.00 H ATOM 171 1HE LYS A 11 7.842 1.422 -11.913 1.00 0.00 H ATOM 172 2HE LYS A 11 7.416 1.863 -10.257 1.00 0.00 H ATOM 173 1HZ LYS A 11 6.423 -0.207 -10.902 1.00 0.00 H ATOM 174 2HZ LYS A 11 5.243 0.913 -10.625 1.00 0.00 H ATOM 175 3HZ LYS A 11 5.642 0.500 -12.172 1.00 0.00 H ATOM 176 N ALA A 12 6.267 8.550 -11.904 1.00 0.00 N ATOM 177 CA ALA A 12 5.590 9.735 -12.419 1.00 0.00 C ATOM 178 C ALA A 12 6.572 10.879 -12.635 1.00 0.00 C ATOM 179 O ALA A 12 6.505 11.585 -13.642 1.00 0.00 O ATOM 180 CB ALA A 12 4.479 10.163 -11.471 1.00 0.00 C ATOM 181 H ALA A 12 6.016 8.197 -10.992 1.00 0.00 H ATOM 182 HA ALA A 12 5.130 9.483 -13.375 1.00 0.00 H ATOM 183 1HB ALA A 12 3.983 11.049 -11.869 1.00 0.00 H ATOM 184 2HB ALA A 12 3.754 9.355 -11.372 1.00 0.00 H ATOM 185 3HB ALA A 12 4.902 10.392 -10.495 1.00 0.00 H ATOM 186 N LEU A 13 7.482 11.059 -11.685 1.00 0.00 N ATOM 187 CA LEU A 13 8.471 12.128 -11.763 1.00 0.00 C ATOM 188 C LEU A 13 9.437 11.901 -12.919 1.00 0.00 C ATOM 189 O LEU A 13 9.893 12.850 -13.556 1.00 0.00 O ATOM 190 CB LEU A 13 9.253 12.224 -10.447 1.00 0.00 C ATOM 191 CG LEU A 13 8.460 12.740 -9.239 1.00 0.00 C ATOM 192 CD1 LEU A 13 9.315 12.627 -7.984 1.00 0.00 C ATOM 193 CD2 LEU A 13 8.039 14.181 -9.486 1.00 0.00 C ATOM 194 H LEU A 13 7.490 10.440 -10.887 1.00 0.00 H ATOM 195 HA LEU A 13 7.949 13.071 -11.924 1.00 0.00 H ATOM 196 1HB LEU A 13 9.633 11.236 -10.196 1.00 0.00 H ATOM 197 2HB LEU A 13 10.102 12.891 -10.595 1.00 0.00 H ATOM 198 HG LEU A 13 7.573 12.122 -9.095 1.00 0.00 H ATOM 199 1HD1 LEU A 13 8.752 12.993 -7.126 1.00 0.00 H ATOM 200 2HD1 LEU A 13 9.586 11.584 -7.821 1.00 0.00 H ATOM 201 3HD1 LEU A 13 10.220 13.222 -8.105 1.00 0.00 H ATOM 202 1HD2 LEU A 13 7.475 14.548 -8.627 1.00 0.00 H ATOM 203 2HD2 LEU A 13 8.925 14.800 -9.628 1.00 0.00 H ATOM 204 3HD2 LEU A 13 7.415 14.230 -10.378 1.00 0.00 H ATOM 205 N LYS A 14 9.746 10.636 -13.185 1.00 0.00 N ATOM 206 CA LYS A 14 10.546 10.272 -14.349 1.00 0.00 C ATOM 207 C LYS A 14 9.809 10.586 -15.644 1.00 0.00 C ATOM 208 O LYS A 14 10.417 11.006 -16.629 1.00 0.00 O ATOM 209 CB LYS A 14 10.916 8.788 -14.301 1.00 0.00 C ATOM 210 CG LYS A 14 11.945 8.431 -13.236 1.00 0.00 C ATOM 211 CD LYS A 14 12.223 6.935 -13.216 1.00 0.00 C ATOM 212 CE LYS A 14 13.242 6.575 -12.145 1.00 0.00 C ATOM 213 NZ LYS A 14 13.519 5.114 -12.109 1.00 0.00 N ATOM 214 H LYS A 14 9.418 9.909 -12.566 1.00 0.00 H ATOM 215 HA LYS A 14 11.472 10.846 -14.325 1.00 0.00 H ATOM 216 1HB LYS A 14 10.021 8.195 -14.113 1.00 0.00 H ATOM 217 2HB LYS A 14 11.315 8.481 -15.268 1.00 0.00 H ATOM 218 1HG LYS A 14 12.876 8.962 -13.437 1.00 0.00 H ATOM 219 2HG LYS A 14 11.577 8.737 -12.257 1.00 0.00 H ATOM 220 1HD LYS A 14 11.295 6.395 -13.019 1.00 0.00 H ATOM 221 2HD LYS A 14 12.605 6.623 -14.187 1.00 0.00 H ATOM 222 1HE LYS A 14 14.174 7.104 -12.338 1.00 0.00 H ATOM 223 2HE LYS A 14 12.869 6.885 -11.169 1.00 0.00 H ATOM 224 1HZ LYS A 14 14.198 4.916 -11.388 1.00 0.00 H ATOM 225 2HZ LYS A 14 12.664 4.613 -11.912 1.00 0.00 H ATOM 226 3HZ LYS A 14 13.883 4.818 -13.003 1.00 0.00 H ATOM 227 N LYS A 15 8.496 10.379 -15.637 1.00 0.00 N ATOM 228 CA LYS A 15 7.661 10.724 -16.781 1.00 0.00 C ATOM 229 C LYS A 15 7.484 12.232 -16.900 1.00 0.00 C ATOM 230 O LYS A 15 7.312 12.763 -17.998 1.00 0.00 O ATOM 231 CB LYS A 15 6.296 10.041 -16.673 1.00 0.00 C ATOM 232 CG LYS A 15 6.333 8.530 -16.854 1.00 0.00 C ATOM 233 CD LYS A 15 4.946 7.922 -16.707 1.00 0.00 C ATOM 234 CE LYS A 15 4.981 6.411 -16.888 1.00 0.00 C ATOM 235 NZ LYS A 15 3.632 5.801 -16.737 1.00 0.00 N ATOM 236 H LYS A 15 8.066 9.973 -14.819 1.00 0.00 H ATOM 237 HA LYS A 15 8.161 10.385 -17.690 1.00 0.00 H ATOM 238 1HB LYS A 15 5.861 10.251 -15.696 1.00 0.00 H ATOM 239 2HB LYS A 15 5.623 10.452 -17.426 1.00 0.00 H ATOM 240 1HG LYS A 15 6.722 8.291 -17.845 1.00 0.00 H ATOM 241 2HG LYS A 15 6.994 8.090 -16.109 1.00 0.00 H ATOM 242 1HD LYS A 15 4.551 8.152 -15.717 1.00 0.00 H ATOM 243 2HD LYS A 15 4.279 8.352 -17.454 1.00 0.00 H ATOM 244 1HE LYS A 15 5.365 6.173 -17.879 1.00 0.00 H ATOM 245 2HE LYS A 15 5.650 5.972 -16.148 1.00 0.00 H ATOM 246 1HZ LYS A 15 3.698 4.801 -16.863 1.00 0.00 H ATOM 247 2HZ LYS A 15 3.274 6.001 -15.813 1.00 0.00 H ATOM 248 3HZ LYS A 15 3.008 6.187 -17.430 1.00 0.00 H ATOM 249 N GLY A 16 7.527 12.919 -15.763 1.00 0.00 N ATOM 250 CA GLY A 16 7.366 14.368 -15.737 1.00 0.00 C ATOM 251 C GLY A 16 5.995 14.760 -15.202 1.00 0.00 C ATOM 252 O GLY A 16 5.611 15.929 -15.249 1.00 0.00 O ATOM 253 H GLY A 16 7.675 12.425 -14.895 1.00 0.00 H ATOM 254 1HA GLY A 16 8.144 14.809 -15.113 1.00 0.00 H ATOM 255 2HA GLY A 16 7.496 14.767 -16.743 1.00 0.00 H ATOM 256 N ASP A 17 5.260 13.777 -14.695 1.00 0.00 N ATOM 257 CA ASP A 17 3.926 14.016 -14.158 1.00 0.00 C ATOM 258 C ASP A 17 3.971 14.246 -12.652 1.00 0.00 C ATOM 259 O ASP A 17 3.749 13.324 -11.867 1.00 0.00 O ATOM 260 CB ASP A 17 3.001 12.838 -14.472 1.00 0.00 C ATOM 261 CG ASP A 17 1.564 13.077 -14.030 1.00 0.00 C ATOM 262 OD1 ASP A 17 1.339 13.998 -13.281 1.00 0.00 O ATOM 263 OD2 ASP A 17 0.704 12.338 -14.447 1.00 0.00 O ATOM 264 H ASP A 17 5.635 12.839 -14.681 1.00 0.00 H ATOM 265 HA ASP A 17 3.528 14.925 -14.612 1.00 0.00 H ATOM 266 1HB ASP A 17 3.009 12.646 -15.546 1.00 0.00 H ATOM 267 2HB ASP A 17 3.373 11.940 -13.977 1.00 0.00 H ATOM 268 N LYS A 18 4.260 15.481 -12.256 1.00 0.00 N ATOM 269 CA LYS A 18 4.393 15.821 -10.844 1.00 0.00 C ATOM 270 C LYS A 18 3.061 15.683 -10.117 1.00 0.00 C ATOM 271 O LYS A 18 3.022 15.365 -8.929 1.00 0.00 O ATOM 272 CB LYS A 18 4.935 17.242 -10.684 1.00 0.00 C ATOM 273 CG LYS A 18 6.394 17.408 -11.088 1.00 0.00 C ATOM 274 CD LYS A 18 6.854 18.848 -10.919 1.00 0.00 C ATOM 275 CE LYS A 18 8.308 19.018 -11.333 1.00 0.00 C ATOM 276 NZ LYS A 18 8.754 20.434 -11.229 1.00 0.00 N ATOM 277 H LYS A 18 4.392 16.202 -12.950 1.00 0.00 H ATOM 278 HA LYS A 18 5.112 15.138 -10.390 1.00 0.00 H ATOM 279 1HB LYS A 18 4.340 17.928 -11.288 1.00 0.00 H ATOM 280 2HB LYS A 18 4.838 17.553 -9.644 1.00 0.00 H ATOM 281 1HG LYS A 18 7.018 16.761 -10.471 1.00 0.00 H ATOM 282 2HG LYS A 18 6.518 17.116 -12.130 1.00 0.00 H ATOM 283 1HD LYS A 18 6.231 19.503 -11.530 1.00 0.00 H ATOM 284 2HD LYS A 18 6.746 19.144 -9.875 1.00 0.00 H ATOM 285 1HE LYS A 18 8.942 18.402 -10.696 1.00 0.00 H ATOM 286 2HE LYS A 18 8.434 18.686 -12.363 1.00 0.00 H ATOM 287 1HZ LYS A 18 9.722 20.504 -11.512 1.00 0.00 H ATOM 288 2HZ LYS A 18 8.185 21.012 -11.830 1.00 0.00 H ATOM 289 3HZ LYS A 18 8.660 20.747 -10.273 1.00 0.00 H ATOM 290 N GLU A 19 1.972 15.924 -10.838 1.00 0.00 N ATOM 291 CA GLU A 19 0.636 15.834 -10.261 1.00 0.00 C ATOM 292 C GLU A 19 0.366 14.438 -9.713 1.00 0.00 C ATOM 293 O GLU A 19 -0.018 14.280 -8.554 1.00 0.00 O ATOM 294 CB GLU A 19 -0.422 16.195 -11.306 1.00 0.00 C ATOM 295 CG GLU A 19 -1.855 16.139 -10.795 1.00 0.00 C ATOM 296 CD GLU A 19 -2.864 16.529 -11.839 1.00 0.00 C ATOM 297 OE1 GLU A 19 -2.463 16.943 -12.900 1.00 0.00 O ATOM 298 OE2 GLU A 19 -4.038 16.413 -11.575 1.00 0.00 O ATOM 299 H GLU A 19 2.071 16.177 -11.811 1.00 0.00 H ATOM 300 HA GLU A 19 0.563 16.551 -9.443 1.00 0.00 H ATOM 301 1HB GLU A 19 -0.239 17.204 -11.676 1.00 0.00 H ATOM 302 2HB GLU A 19 -0.343 15.515 -12.154 1.00 0.00 H ATOM 303 1HG GLU A 19 -2.071 15.124 -10.460 1.00 0.00 H ATOM 304 2HG GLU A 19 -1.951 16.803 -9.938 1.00 0.00 H ATOM 305 N ARG A 20 0.569 13.429 -10.552 1.00 0.00 N ATOM 306 CA ARG A 20 0.378 12.042 -10.144 1.00 0.00 C ATOM 307 C ARG A 20 1.283 11.684 -8.972 1.00 0.00 C ATOM 308 O ARG A 20 0.862 11.007 -8.034 1.00 0.00 O ATOM 309 CB ARG A 20 0.658 11.099 -11.304 1.00 0.00 C ATOM 310 CG ARG A 20 0.417 9.628 -11.005 1.00 0.00 C ATOM 311 CD ARG A 20 0.682 8.775 -12.192 1.00 0.00 C ATOM 312 NE ARG A 20 0.363 7.379 -11.939 1.00 0.00 N ATOM 313 CZ ARG A 20 1.217 6.484 -11.404 1.00 0.00 C ATOM 314 NH1 ARG A 20 2.434 6.854 -11.071 1.00 0.00 N ATOM 315 NH2 ARG A 20 0.831 5.235 -11.213 1.00 0.00 N ATOM 316 H ARG A 20 0.863 13.627 -11.498 1.00 0.00 H ATOM 317 HA ARG A 20 -0.660 11.912 -9.836 1.00 0.00 H ATOM 318 1HB ARG A 20 0.030 11.370 -12.152 1.00 0.00 H ATOM 319 2HB ARG A 20 1.696 11.206 -11.618 1.00 0.00 H ATOM 320 1HG ARG A 20 1.077 9.308 -10.198 1.00 0.00 H ATOM 321 2HG ARG A 20 -0.621 9.483 -10.703 1.00 0.00 H ATOM 322 1HD ARG A 20 0.074 9.117 -13.028 1.00 0.00 H ATOM 323 2HD ARG A 20 1.736 8.841 -12.458 1.00 0.00 H ATOM 324 HE ARG A 20 -0.564 7.057 -12.182 1.00 0.00 H ATOM 325 1HH1 ARG A 20 2.729 7.809 -11.217 1.00 0.00 H ATOM 326 2HH1 ARG A 20 3.073 6.184 -10.670 1.00 0.00 H ATOM 327 1HH2 ARG A 20 -0.105 4.950 -11.468 1.00 0.00 H ATOM 328 2HH2 ARG A 20 1.470 4.565 -10.812 1.00 0.00 H ATOM 329 N ALA A 21 2.529 12.141 -9.032 1.00 0.00 N ATOM 330 CA ALA A 21 3.484 11.907 -7.956 1.00 0.00 C ATOM 331 C ALA A 21 2.971 12.463 -6.634 1.00 0.00 C ATOM 332 O ALA A 21 3.050 11.801 -5.599 1.00 0.00 O ATOM 333 CB ALA A 21 4.833 12.523 -8.300 1.00 0.00 C ATOM 334 H ALA A 21 2.823 12.665 -9.845 1.00 0.00 H ATOM 335 HA ALA A 21 3.630 10.832 -7.850 1.00 0.00 H ATOM 336 1HB ALA A 21 5.535 12.340 -7.487 1.00 0.00 H ATOM 337 2HB ALA A 21 5.214 12.073 -9.217 1.00 0.00 H ATOM 338 3HB ALA A 21 4.716 13.596 -8.444 1.00 0.00 H ATOM 339 N LYS A 22 2.445 13.683 -6.675 1.00 0.00 N ATOM 340 CA LYS A 22 1.906 14.325 -5.482 1.00 0.00 C ATOM 341 C LYS A 22 0.713 13.553 -4.933 1.00 0.00 C ATOM 342 O LYS A 22 0.558 13.413 -3.720 1.00 0.00 O ATOM 343 CB LYS A 22 1.503 15.769 -5.787 1.00 0.00 C ATOM 344 CG LYS A 22 2.675 16.714 -6.013 1.00 0.00 C ATOM 345 CD LYS A 22 2.196 18.112 -6.376 1.00 0.00 C ATOM 346 CE LYS A 22 3.366 19.050 -6.635 1.00 0.00 C ATOM 347 NZ LYS A 22 2.911 20.412 -7.023 1.00 0.00 N ATOM 348 H LYS A 22 2.419 14.178 -7.555 1.00 0.00 H ATOM 349 HA LYS A 22 2.686 14.352 -4.720 1.00 0.00 H ATOM 350 1HB LYS A 22 0.878 15.791 -6.680 1.00 0.00 H ATOM 351 2HB LYS A 22 0.910 16.163 -4.961 1.00 0.00 H ATOM 352 1HG LYS A 22 3.279 16.770 -5.107 1.00 0.00 H ATOM 353 2HG LYS A 22 3.300 16.333 -6.821 1.00 0.00 H ATOM 354 1HD LYS A 22 1.575 18.063 -7.272 1.00 0.00 H ATOM 355 2HD LYS A 22 1.595 18.513 -5.560 1.00 0.00 H ATOM 356 1HE LYS A 22 3.976 19.126 -5.737 1.00 0.00 H ATOM 357 2HE LYS A 22 3.986 18.646 -7.436 1.00 0.00 H ATOM 358 1HZ LYS A 22 3.715 21.002 -7.186 1.00 0.00 H ATOM 359 2HZ LYS A 22 2.359 20.356 -7.867 1.00 0.00 H ATOM 360 3HZ LYS A 22 2.351 20.805 -6.280 1.00 0.00 H ATOM 361 N ARG A 23 -0.128 13.055 -5.832 1.00 0.00 N ATOM 362 CA ARG A 23 -1.310 12.298 -5.439 1.00 0.00 C ATOM 363 C ARG A 23 -0.926 10.999 -4.741 1.00 0.00 C ATOM 364 O ARG A 23 -1.508 10.637 -3.719 1.00 0.00 O ATOM 365 CB ARG A 23 -2.172 11.981 -6.653 1.00 0.00 C ATOM 366 CG ARG A 23 -2.881 13.180 -7.263 1.00 0.00 C ATOM 367 CD ARG A 23 -3.700 12.792 -8.440 1.00 0.00 C ATOM 368 NE ARG A 23 -4.248 13.952 -9.126 1.00 0.00 N ATOM 369 CZ ARG A 23 -5.373 14.595 -8.761 1.00 0.00 C ATOM 370 NH1 ARG A 23 -6.058 14.181 -7.718 1.00 0.00 N ATOM 371 NH2 ARG A 23 -5.789 15.643 -9.451 1.00 0.00 N ATOM 372 H ARG A 23 0.057 13.204 -6.814 1.00 0.00 H ATOM 373 HA ARG A 23 -1.897 12.905 -4.749 1.00 0.00 H ATOM 374 1HB ARG A 23 -1.554 11.533 -7.430 1.00 0.00 H ATOM 375 2HB ARG A 23 -2.933 11.252 -6.378 1.00 0.00 H ATOM 376 1HG ARG A 23 -3.540 13.630 -6.520 1.00 0.00 H ATOM 377 2HG ARG A 23 -2.143 13.914 -7.586 1.00 0.00 H ATOM 378 1HD ARG A 23 -3.082 12.239 -9.147 1.00 0.00 H ATOM 379 2HD ARG A 23 -4.530 12.165 -8.116 1.00 0.00 H ATOM 380 HE ARG A 23 -3.748 14.300 -9.933 1.00 0.00 H ATOM 381 1HH1 ARG A 23 -5.741 13.381 -7.190 1.00 0.00 H ATOM 382 2HH1 ARG A 23 -6.902 14.664 -7.444 1.00 0.00 H ATOM 383 1HH2 ARG A 23 -5.263 15.961 -10.253 1.00 0.00 H ATOM 384 2HH2 ARG A 23 -6.633 16.125 -9.177 1.00 0.00 H ATOM 385 N ALA A 24 0.058 10.302 -5.299 1.00 0.00 N ATOM 386 CA ALA A 24 0.538 9.054 -4.718 1.00 0.00 C ATOM 387 C ALA A 24 1.164 9.288 -3.349 1.00 0.00 C ATOM 388 O ALA A 24 0.926 8.529 -2.410 1.00 0.00 O ATOM 389 CB ALA A 24 1.538 8.386 -5.650 1.00 0.00 C ATOM 390 H ALA A 24 0.485 10.646 -6.147 1.00 0.00 H ATOM 391 HA ALA A 24 -0.310 8.377 -4.604 1.00 0.00 H ATOM 392 1HB ALA A 24 1.887 7.455 -5.203 1.00 0.00 H ATOM 393 2HB ALA A 24 1.059 8.172 -6.606 1.00 0.00 H ATOM 394 3HB ALA A 24 2.386 9.051 -5.811 1.00 0.00 H ATOM 395 N LEU A 25 1.965 10.343 -3.243 1.00 0.00 N ATOM 396 CA LEU A 25 2.652 10.660 -1.997 1.00 0.00 C ATOM 397 C LEU A 25 1.675 11.159 -0.941 1.00 0.00 C ATOM 398 O LEU A 25 1.867 10.931 0.254 1.00 0.00 O ATOM 399 CB LEU A 25 3.734 11.719 -2.244 1.00 0.00 C ATOM 400 CG LEU A 25 4.911 11.277 -3.123 1.00 0.00 C ATOM 401 CD1 LEU A 25 5.783 12.481 -3.449 1.00 0.00 C ATOM 402 CD2 LEU A 25 5.710 10.203 -2.399 1.00 0.00 C ATOM 403 H LEU A 25 2.101 10.940 -4.046 1.00 0.00 H ATOM 404 HA LEU A 25 3.134 9.754 -1.627 1.00 0.00 H ATOM 405 1HB LEU A 25 3.272 12.583 -2.719 1.00 0.00 H ATOM 406 2HB LEU A 25 4.139 12.033 -1.282 1.00 0.00 H ATOM 407 HG LEU A 25 4.532 10.875 -4.063 1.00 0.00 H ATOM 408 1HD1 LEU A 25 6.619 12.167 -4.074 1.00 0.00 H ATOM 409 2HD1 LEU A 25 5.191 13.225 -3.983 1.00 0.00 H ATOM 410 3HD1 LEU A 25 6.164 12.915 -2.525 1.00 0.00 H ATOM 411 1HD2 LEU A 25 6.546 9.888 -3.024 1.00 0.00 H ATOM 412 2HD2 LEU A 25 6.090 10.604 -1.459 1.00 0.00 H ATOM 413 3HD2 LEU A 25 5.067 9.347 -2.194 1.00 0.00 H ATOM 414 N LYS A 26 0.626 11.842 -1.387 1.00 0.00 N ATOM 415 CA LYS A 26 -0.483 12.201 -0.513 1.00 0.00 C ATOM 416 C LYS A 26 -1.165 10.960 0.049 1.00 0.00 C ATOM 417 O LYS A 26 -1.425 10.873 1.249 1.00 0.00 O ATOM 418 CB LYS A 26 -1.498 13.065 -1.262 1.00 0.00 C ATOM 419 CG LYS A 26 -2.682 13.520 -0.419 1.00 0.00 C ATOM 420 CD LYS A 26 -3.613 14.422 -1.214 1.00 0.00 C ATOM 421 CE LYS A 26 -4.816 14.848 -0.384 1.00 0.00 C ATOM 422 NZ LYS A 26 -5.736 15.732 -1.149 1.00 0.00 N ATOM 423 H LYS A 26 0.597 12.119 -2.358 1.00 0.00 H ATOM 424 HA LYS A 26 -0.093 12.791 0.317 1.00 0.00 H ATOM 425 1HB LYS A 26 -1.002 13.956 -1.649 1.00 0.00 H ATOM 426 2HB LYS A 26 -1.889 12.511 -2.116 1.00 0.00 H ATOM 427 1HG LYS A 26 -3.240 12.648 -0.075 1.00 0.00 H ATOM 428 2HG LYS A 26 -2.320 14.063 0.453 1.00 0.00 H ATOM 429 1HD LYS A 26 -3.071 15.312 -1.536 1.00 0.00 H ATOM 430 2HD LYS A 26 -3.965 13.893 -2.099 1.00 0.00 H ATOM 431 1HE LYS A 26 -5.365 13.965 -0.060 1.00 0.00 H ATOM 432 2HE LYS A 26 -4.475 15.381 0.503 1.00 0.00 H ATOM 433 1HZ LYS A 26 -6.518 15.992 -0.565 1.00 0.00 H ATOM 434 2HZ LYS A 26 -5.241 16.564 -1.439 1.00 0.00 H ATOM 435 3HZ LYS A 26 -6.074 15.241 -1.965 1.00 0.00 H ATOM 436 N LYS A 27 -1.453 10.002 -0.825 1.00 0.00 N ATOM 437 CA LYS A 27 -2.059 8.743 -0.410 1.00 0.00 C ATOM 438 C LYS A 27 -1.117 7.948 0.485 1.00 0.00 C ATOM 439 O LYS A 27 -1.558 7.159 1.321 1.00 0.00 O ATOM 440 CB LYS A 27 -2.452 7.909 -1.631 1.00 0.00 C ATOM 441 CG LYS A 27 -3.630 8.467 -2.420 1.00 0.00 C ATOM 442 CD LYS A 27 -3.934 7.608 -3.639 1.00 0.00 C ATOM 443 CE LYS A 27 -5.108 8.165 -4.430 1.00 0.00 C ATOM 444 NZ LYS A 27 -5.407 7.345 -5.635 1.00 0.00 N ATOM 445 H LYS A 27 -1.248 10.151 -1.803 1.00 0.00 H ATOM 446 HA LYS A 27 -2.969 8.963 0.149 1.00 0.00 H ATOM 447 1HB LYS A 27 -1.602 7.833 -2.309 1.00 0.00 H ATOM 448 2HB LYS A 27 -2.710 6.899 -1.314 1.00 0.00 H ATOM 449 1HG LYS A 27 -4.512 8.501 -1.781 1.00 0.00 H ATOM 450 2HG LYS A 27 -3.401 9.480 -2.748 1.00 0.00 H ATOM 451 1HD LYS A 27 -3.056 7.570 -4.285 1.00 0.00 H ATOM 452 2HD LYS A 27 -4.173 6.594 -3.319 1.00 0.00 H ATOM 453 1HE LYS A 27 -5.993 8.193 -3.796 1.00 0.00 H ATOM 454 2HE LYS A 27 -4.883 9.184 -4.746 1.00 0.00 H ATOM 455 1HZ LYS A 27 -6.190 7.747 -6.131 1.00 0.00 H ATOM 456 2HZ LYS A 27 -4.598 7.327 -6.240 1.00 0.00 H ATOM 457 3HZ LYS A 27 -5.636 6.403 -5.353 1.00 0.00 H ATOM 458 N ALA A 28 0.182 8.160 0.305 1.00 0.00 N ATOM 459 CA ALA A 28 1.187 7.515 1.142 1.00 0.00 C ATOM 460 C ALA A 28 1.113 8.018 2.578 1.00 0.00 C ATOM 461 O ALA A 28 1.642 7.388 3.494 1.00 0.00 O ATOM 462 CB ALA A 28 2.579 7.747 0.572 1.00 0.00 C ATOM 463 H ALA A 28 0.482 8.785 -0.430 1.00 0.00 H ATOM 464 HA ALA A 28 0.999 6.442 1.143 1.00 0.00 H ATOM 465 1HB ALA A 28 3.318 7.259 1.207 1.00 0.00 H ATOM 466 2HB ALA A 28 2.634 7.330 -0.434 1.00 0.00 H ATOM 467 3HB ALA A 28 2.783 8.816 0.533 1.00 0.00 H ATOM 468 N GLY A 29 0.454 9.155 2.768 1.00 0.00 N ATOM 469 CA GLY A 29 0.255 9.712 4.101 1.00 0.00 C ATOM 470 C GLY A 29 1.282 10.796 4.404 1.00 0.00 C ATOM 471 O GLY A 29 1.611 11.047 5.563 1.00 0.00 O ATOM 472 H GLY A 29 0.081 9.647 1.969 1.00 0.00 H ATOM 473 1HA GLY A 29 -0.750 10.127 4.176 1.00 0.00 H ATOM 474 2HA GLY A 29 0.331 8.917 4.842 1.00 0.00 H ATOM 475 N LEU A 30 1.786 11.437 3.354 1.00 0.00 N ATOM 476 CA LEU A 30 2.772 12.499 3.506 1.00 0.00 C ATOM 477 C LEU A 30 2.118 13.873 3.435 1.00 0.00 C ATOM 478 O LEU A 30 1.171 14.082 2.677 1.00 0.00 O ATOM 479 CB LEU A 30 3.849 12.382 2.420 1.00 0.00 C ATOM 480 CG LEU A 30 4.652 11.075 2.417 1.00 0.00 C ATOM 481 CD1 LEU A 30 5.658 11.099 1.275 1.00 0.00 C ATOM 482 CD2 LEU A 30 5.351 10.906 3.758 1.00 0.00 C ATOM 483 H LEU A 30 1.477 11.181 2.427 1.00 0.00 H ATOM 484 HA LEU A 30 3.245 12.395 4.484 1.00 0.00 H ATOM 485 1HB LEU A 30 3.372 12.479 1.446 1.00 0.00 H ATOM 486 2HB LEU A 30 4.554 13.204 2.539 1.00 0.00 H ATOM 487 HG LEU A 30 3.978 10.234 2.251 1.00 0.00 H ATOM 488 1HD1 LEU A 30 6.229 10.170 1.273 1.00 0.00 H ATOM 489 2HD1 LEU A 30 5.130 11.201 0.327 1.00 0.00 H ATOM 490 3HD1 LEU A 30 6.337 11.941 1.406 1.00 0.00 H ATOM 491 1HD2 LEU A 30 5.921 9.976 3.757 1.00 0.00 H ATOM 492 2HD2 LEU A 30 6.026 11.746 3.925 1.00 0.00 H ATOM 493 3HD2 LEU A 30 4.607 10.874 4.555 1.00 0.00 H ATOM 494 N SER A 31 2.629 14.808 4.230 1.00 0.00 N ATOM 495 CA SER A 31 2.161 16.188 4.187 1.00 0.00 C ATOM 496 C SER A 31 2.702 16.915 2.962 1.00 0.00 C ATOM 497 O SER A 31 3.576 16.405 2.262 1.00 0.00 O ATOM 498 CB SER A 31 2.581 16.920 5.446 1.00 0.00 C ATOM 499 OG SER A 31 3.965 17.142 5.461 1.00 0.00 O ATOM 500 H SER A 31 3.359 14.555 4.880 1.00 0.00 H ATOM 501 HA SER A 31 1.072 16.183 4.129 1.00 0.00 H ATOM 502 1HB SER A 31 2.057 17.874 5.505 1.00 0.00 H ATOM 503 2HB SER A 31 2.294 16.336 6.320 1.00 0.00 H ATOM 504 HG SER A 31 4.247 16.995 6.367 1.00 0.00 H ATOM 505 N GLU A 32 2.176 18.108 2.709 1.00 0.00 N ATOM 506 CA GLU A 32 2.612 18.912 1.573 1.00 0.00 C ATOM 507 C GLU A 32 4.128 19.059 1.552 1.00 0.00 C ATOM 508 O GLU A 32 4.761 18.901 0.508 1.00 0.00 O ATOM 509 CB GLU A 32 1.957 20.295 1.616 1.00 0.00 C ATOM 510 CG GLU A 32 2.348 21.211 0.465 1.00 0.00 C ATOM 511 CD GLU A 32 1.685 22.559 0.539 1.00 0.00 C ATOM 512 OE1 GLU A 32 0.854 22.745 1.395 1.00 0.00 O ATOM 513 OE2 GLU A 32 2.010 23.403 -0.262 1.00 0.00 O ATOM 514 H GLU A 32 1.455 18.468 3.318 1.00 0.00 H ATOM 515 HA GLU A 32 2.295 18.415 0.655 1.00 0.00 H ATOM 516 1HB GLU A 32 0.872 20.184 1.602 1.00 0.00 H ATOM 517 2HB GLU A 32 2.223 20.795 2.547 1.00 0.00 H ATOM 518 1HG GLU A 32 3.429 21.350 0.476 1.00 0.00 H ATOM 519 2HG GLU A 32 2.080 20.731 -0.475 1.00 0.00 H ATOM 520 N ASP A 33 4.705 19.360 2.710 1.00 0.00 N ATOM 521 CA ASP A 33 6.147 19.543 2.823 1.00 0.00 C ATOM 522 C ASP A 33 6.889 18.239 2.563 1.00 0.00 C ATOM 523 O ASP A 33 7.922 18.225 1.893 1.00 0.00 O ATOM 524 CB ASP A 33 6.512 20.078 4.210 1.00 0.00 C ATOM 525 CG ASP A 33 6.092 21.527 4.416 1.00 0.00 C ATOM 526 OD1 ASP A 33 5.797 22.184 3.446 1.00 0.00 O ATOM 527 OD2 ASP A 33 6.069 21.963 5.542 1.00 0.00 O ATOM 528 H ASP A 33 4.129 19.466 3.533 1.00 0.00 H ATOM 529 HA ASP A 33 6.461 20.279 2.082 1.00 0.00 H ATOM 530 1HB ASP A 33 6.035 19.464 4.974 1.00 0.00 H ATOM 531 2HB ASP A 33 7.590 20.003 4.356 1.00 0.00 H ATOM 532 N GLN A 34 6.357 17.145 3.096 1.00 0.00 N ATOM 533 CA GLN A 34 6.964 15.831 2.913 1.00 0.00 C ATOM 534 C GLN A 34 6.864 15.375 1.463 1.00 0.00 C ATOM 535 O GLN A 34 7.779 14.742 0.937 1.00 0.00 O ATOM 536 CB GLN A 34 6.299 14.802 3.831 1.00 0.00 C ATOM 537 CG GLN A 34 6.605 14.995 5.307 1.00 0.00 C ATOM 538 CD GLN A 34 5.847 14.019 6.187 1.00 0.00 C ATOM 539 OE1 GLN A 34 4.638 13.831 6.032 1.00 0.00 O ATOM 540 NE2 GLN A 34 6.556 13.391 7.119 1.00 0.00 N ATOM 541 H GLN A 34 5.511 17.225 3.641 1.00 0.00 H ATOM 542 HA GLN A 34 8.017 15.895 3.188 1.00 0.00 H ATOM 543 1HB GLN A 34 5.217 14.845 3.704 1.00 0.00 H ATOM 544 2HB GLN A 34 6.622 13.800 3.549 1.00 0.00 H ATOM 545 1HG GLN A 34 7.672 14.844 5.469 1.00 0.00 H ATOM 546 2HG GLN A 34 6.322 16.007 5.597 1.00 0.00 H ATOM 547 1HE2 GLN A 34 6.110 12.735 7.730 1.00 0.00 H ATOM 548 2HE2 GLN A 34 7.535 13.573 7.210 1.00 0.00 H ATOM 549 N ILE A 35 5.748 15.702 0.821 1.00 0.00 N ATOM 550 CA ILE A 35 5.560 15.396 -0.592 1.00 0.00 C ATOM 551 C ILE A 35 6.591 16.114 -1.453 1.00 0.00 C ATOM 552 O ILE A 35 7.246 15.500 -2.296 1.00 0.00 O ATOM 553 CB ILE A 35 4.143 15.785 -1.054 1.00 0.00 C ATOM 554 CG1 ILE A 35 3.101 14.869 -0.408 1.00 0.00 C ATOM 555 CG2 ILE A 35 4.043 15.724 -2.571 1.00 0.00 C ATOM 556 CD1 ILE A 35 1.679 15.358 -0.563 1.00 0.00 C ATOM 557 H ILE A 35 5.010 16.173 1.325 1.00 0.00 H ATOM 558 HA ILE A 35 5.675 14.320 -0.732 1.00 0.00 H ATOM 559 HB ILE A 35 3.919 16.799 -0.725 1.00 0.00 H ATOM 560 1HG1 ILE A 35 3.169 13.874 -0.846 1.00 0.00 H ATOM 561 2HG1 ILE A 35 3.312 14.771 0.657 1.00 0.00 H ATOM 562 1HG2 ILE A 35 3.036 16.001 -2.880 1.00 0.00 H ATOM 563 2HG2 ILE A 35 4.761 16.415 -3.011 1.00 0.00 H ATOM 564 3HG2 ILE A 35 4.261 14.711 -2.909 1.00 0.00 H ATOM 565 1HD1 ILE A 35 0.998 14.657 -0.079 1.00 0.00 H ATOM 566 2HD1 ILE A 35 1.579 16.340 -0.099 1.00 0.00 H ATOM 567 3HD1 ILE A 35 1.432 15.430 -1.622 1.00 0.00 H ATOM 568 N LYS A 36 6.730 17.418 -1.237 1.00 0.00 N ATOM 569 CA LYS A 36 7.690 18.220 -1.985 1.00 0.00 C ATOM 570 C LYS A 36 9.119 17.775 -1.702 1.00 0.00 C ATOM 571 O LYS A 36 9.949 17.703 -2.609 1.00 0.00 O ATOM 572 CB LYS A 36 7.525 19.703 -1.650 1.00 0.00 C ATOM 573 CG LYS A 36 6.240 20.328 -2.177 1.00 0.00 C ATOM 574 CD LYS A 36 6.104 21.775 -1.727 1.00 0.00 C ATOM 575 CE LYS A 36 4.804 22.390 -2.222 1.00 0.00 C ATOM 576 NZ LYS A 36 4.610 23.773 -1.708 1.00 0.00 N ATOM 577 H LYS A 36 6.156 17.864 -0.536 1.00 0.00 H ATOM 578 HA LYS A 36 7.490 18.096 -3.050 1.00 0.00 H ATOM 579 1HB LYS A 36 7.542 19.836 -0.568 1.00 0.00 H ATOM 580 2HB LYS A 36 8.364 20.265 -2.062 1.00 0.00 H ATOM 581 1HG LYS A 36 6.239 20.294 -3.267 1.00 0.00 H ATOM 582 2HG LYS A 36 5.384 19.761 -1.813 1.00 0.00 H ATOM 583 1HD LYS A 36 6.127 21.821 -0.637 1.00 0.00 H ATOM 584 2HD LYS A 36 6.941 22.357 -2.114 1.00 0.00 H ATOM 585 1HE LYS A 36 4.806 22.417 -3.311 1.00 0.00 H ATOM 586 2HE LYS A 36 3.964 21.775 -1.899 1.00 0.00 H ATOM 587 1HZ LYS A 36 3.739 24.144 -2.058 1.00 0.00 H ATOM 588 2HZ LYS A 36 4.588 23.757 -0.698 1.00 0.00 H ATOM 589 3HZ LYS A 36 5.373 24.357 -2.018 1.00 0.00 H ATOM 590 N LYS A 37 9.401 17.477 -0.438 1.00 0.00 N ATOM 591 CA LYS A 37 10.710 16.967 -0.045 1.00 0.00 C ATOM 592 C LYS A 37 11.072 15.715 -0.832 1.00 0.00 C ATOM 593 O LYS A 37 12.149 15.632 -1.423 1.00 0.00 O ATOM 594 CB LYS A 37 10.741 16.673 1.456 1.00 0.00 C ATOM 595 CG LYS A 37 12.081 16.164 1.969 1.00 0.00 C ATOM 596 CD LYS A 37 12.072 16.013 3.483 1.00 0.00 C ATOM 597 CE LYS A 37 13.446 15.629 4.011 1.00 0.00 C ATOM 598 NZ LYS A 37 13.755 14.194 3.765 1.00 0.00 N ATOM 599 H LYS A 37 8.691 17.607 0.268 1.00 0.00 H ATOM 600 HA LYS A 37 11.456 17.737 -0.248 1.00 0.00 H ATOM 601 1HB LYS A 37 10.493 17.579 2.010 1.00 0.00 H ATOM 602 2HB LYS A 37 9.985 15.925 1.696 1.00 0.00 H ATOM 603 1HG LYS A 37 12.300 15.195 1.518 1.00 0.00 H ATOM 604 2HG LYS A 37 12.868 16.862 1.687 1.00 0.00 H ATOM 605 1HD LYS A 37 11.767 16.955 3.941 1.00 0.00 H ATOM 606 2HD LYS A 37 11.356 15.242 3.768 1.00 0.00 H ATOM 607 1HE LYS A 37 14.206 16.239 3.525 1.00 0.00 H ATOM 608 2HE LYS A 37 13.491 15.818 5.083 1.00 0.00 H ATOM 609 1HZ LYS A 37 14.673 13.979 4.129 1.00 0.00 H ATOM 610 2HZ LYS A 37 13.067 13.617 4.228 1.00 0.00 H ATOM 611 3HZ LYS A 37 13.736 14.010 2.773 1.00 0.00 H ATOM 612 N PHE A 38 10.168 14.742 -0.835 1.00 0.00 N ATOM 613 CA PHE A 38 10.378 13.503 -1.575 1.00 0.00 C ATOM 614 C PHE A 38 10.668 13.782 -3.045 1.00 0.00 C ATOM 615 O PHE A 38 11.612 13.236 -3.615 1.00 0.00 O ATOM 616 CB PHE A 38 9.153 12.595 -1.455 1.00 0.00 C ATOM 617 CG PHE A 38 9.300 11.282 -2.171 1.00 0.00 C ATOM 618 CD1 PHE A 38 9.713 10.147 -1.489 1.00 0.00 C ATOM 619 CD2 PHE A 38 9.026 11.179 -3.526 1.00 0.00 C ATOM 620 CE1 PHE A 38 9.848 8.938 -2.146 1.00 0.00 C ATOM 621 CE2 PHE A 38 9.159 9.972 -4.185 1.00 0.00 C ATOM 622 CZ PHE A 38 9.571 8.851 -3.493 1.00 0.00 C ATOM 623 H PHE A 38 9.313 14.863 -0.311 1.00 0.00 H ATOM 624 HA PHE A 38 11.233 12.982 -1.143 1.00 0.00 H ATOM 625 1HB PHE A 38 8.954 12.389 -0.404 1.00 0.00 H ATOM 626 2HB PHE A 38 8.280 13.106 -1.859 1.00 0.00 H ATOM 627 HD1 PHE A 38 9.930 10.216 -0.423 1.00 0.00 H ATOM 628 HD2 PHE A 38 8.701 12.065 -4.072 1.00 0.00 H ATOM 629 HE1 PHE A 38 10.174 8.054 -1.598 1.00 0.00 H ATOM 630 HE2 PHE A 38 8.940 9.905 -5.250 1.00 0.00 H ATOM 631 HZ PHE A 38 9.679 7.899 -4.012 1.00 0.00 H ATOM 632 N ILE A 39 9.850 14.635 -3.652 1.00 0.00 N ATOM 633 CA ILE A 39 10.006 14.974 -5.062 1.00 0.00 C ATOM 634 C ILE A 39 11.380 15.573 -5.335 1.00 0.00 C ATOM 635 O ILE A 39 12.035 15.224 -6.317 1.00 0.00 O ATOM 636 CB ILE A 39 8.915 15.962 -5.513 1.00 0.00 C ATOM 637 CG1 ILE A 39 7.548 15.274 -5.535 1.00 0.00 C ATOM 638 CG2 ILE A 39 9.249 16.534 -6.882 1.00 0.00 C ATOM 639 CD1 ILE A 39 6.386 16.229 -5.689 1.00 0.00 C ATOM 640 H ILE A 39 9.100 15.059 -3.124 1.00 0.00 H ATOM 641 HA ILE A 39 9.899 14.062 -5.651 1.00 0.00 H ATOM 642 HB ILE A 39 8.845 16.779 -4.796 1.00 0.00 H ATOM 643 1HG1 ILE A 39 7.513 14.560 -6.357 1.00 0.00 H ATOM 644 2HG1 ILE A 39 7.407 14.714 -4.610 1.00 0.00 H ATOM 645 1HG2 ILE A 39 8.468 17.230 -7.186 1.00 0.00 H ATOM 646 2HG2 ILE A 39 10.203 17.058 -6.834 1.00 0.00 H ATOM 647 3HG2 ILE A 39 9.316 15.724 -7.608 1.00 0.00 H ATOM 648 1HD1 ILE A 39 5.452 15.668 -5.696 1.00 0.00 H ATOM 649 2HD1 ILE A 39 6.381 16.933 -4.856 1.00 0.00 H ATOM 650 3HD1 ILE A 39 6.487 16.776 -6.625 1.00 0.00 H ATOM 651 N LYS A 40 11.810 16.476 -4.461 1.00 0.00 N ATOM 652 CA LYS A 40 13.103 17.133 -4.612 1.00 0.00 C ATOM 653 C LYS A 40 14.246 16.132 -4.497 1.00 0.00 C ATOM 654 O LYS A 40 15.273 16.269 -5.162 1.00 0.00 O ATOM 655 CB LYS A 40 13.267 18.240 -3.569 1.00 0.00 C ATOM 656 CG LYS A 40 12.394 19.464 -3.809 1.00 0.00 C ATOM 657 CD LYS A 40 12.583 20.501 -2.712 1.00 0.00 C ATOM 658 CE LYS A 40 11.702 21.720 -2.943 1.00 0.00 C ATOM 659 NZ LYS A 40 11.872 22.741 -1.874 1.00 0.00 N ATOM 660 H LYS A 40 11.226 16.715 -3.672 1.00 0.00 H ATOM 661 HA LYS A 40 13.143 17.597 -5.598 1.00 0.00 H ATOM 662 1HB LYS A 40 13.027 17.847 -2.580 1.00 0.00 H ATOM 663 2HB LYS A 40 14.306 18.568 -3.547 1.00 0.00 H ATOM 664 1HG LYS A 40 12.652 19.913 -4.769 1.00 0.00 H ATOM 665 2HG LYS A 40 11.347 19.165 -3.838 1.00 0.00 H ATOM 666 1HD LYS A 40 12.332 20.060 -1.746 1.00 0.00 H ATOM 667 2HD LYS A 40 13.625 20.818 -2.686 1.00 0.00 H ATOM 668 1HE LYS A 40 11.950 22.171 -3.902 1.00 0.00 H ATOM 669 2HE LYS A 40 10.656 21.413 -2.971 1.00 0.00 H ATOM 670 1HZ LYS A 40 11.272 23.531 -2.064 1.00 0.00 H ATOM 671 2HZ LYS A 40 11.626 22.338 -0.980 1.00 0.00 H ATOM 672 3HZ LYS A 40 12.834 23.048 -1.851 1.00 0.00 H ATOM 673 N GLU A 41 14.061 15.125 -3.649 1.00 0.00 N ATOM 674 CA GLU A 41 15.065 14.085 -3.465 1.00 0.00 C ATOM 675 C GLU A 41 15.210 13.231 -4.718 1.00 0.00 C ATOM 676 O GLU A 41 16.316 12.837 -5.089 1.00 0.00 O ATOM 677 CB GLU A 41 14.702 13.199 -2.272 1.00 0.00 C ATOM 678 CG GLU A 41 14.847 13.878 -0.917 1.00 0.00 C ATOM 679 CD GLU A 41 14.324 13.040 0.216 1.00 0.00 C ATOM 680 OE1 GLU A 41 13.738 12.018 -0.047 1.00 0.00 O ATOM 681 OE2 GLU A 41 14.510 13.424 1.347 1.00 0.00 O ATOM 682 H GLU A 41 13.202 15.080 -3.119 1.00 0.00 H ATOM 683 HA GLU A 41 16.023 14.562 -3.255 1.00 0.00 H ATOM 684 1HB GLU A 41 13.670 12.862 -2.369 1.00 0.00 H ATOM 685 2HB GLU A 41 15.337 12.312 -2.270 1.00 0.00 H ATOM 686 1HG GLU A 41 15.900 14.092 -0.740 1.00 0.00 H ATOM 687 2HG GLU A 41 14.311 14.826 -0.939 1.00 0.00 H ATOM 688 N VAL A 42 14.086 12.948 -5.368 1.00 0.00 N ATOM 689 CA VAL A 42 14.084 12.130 -6.575 1.00 0.00 C ATOM 690 C VAL A 42 14.654 12.896 -7.761 1.00 0.00 C ATOM 691 O VAL A 42 15.507 12.389 -8.489 1.00 0.00 O ATOM 692 CB VAL A 42 12.652 11.668 -6.906 1.00 0.00 C ATOM 693 CG1 VAL A 42 12.616 10.972 -8.258 1.00 0.00 C ATOM 694 CG2 VAL A 42 12.139 10.746 -5.810 1.00 0.00 C ATOM 695 H VAL A 42 13.210 13.309 -5.017 1.00 0.00 H ATOM 696 HA VAL A 42 14.703 11.249 -6.398 1.00 0.00 H ATOM 697 HB VAL A 42 12.006 12.543 -6.977 1.00 0.00 H ATOM 698 1HG1 VAL A 42 11.596 10.653 -8.476 1.00 0.00 H ATOM 699 2HG1 VAL A 42 12.952 11.662 -9.032 1.00 0.00 H ATOM 700 3HG1 VAL A 42 13.271 10.102 -8.237 1.00 0.00 H ATOM 701 1HG2 VAL A 42 11.126 10.425 -6.050 1.00 0.00 H ATOM 702 2HG2 VAL A 42 12.789 9.874 -5.735 1.00 0.00 H ATOM 703 3HG2 VAL A 42 12.135 11.278 -4.859 1.00 0.00 H ATOM 704 N LEU A 43 14.177 14.122 -7.951 1.00 0.00 N ATOM 705 CA LEU A 43 14.583 14.933 -9.093 1.00 0.00 C ATOM 706 C LEU A 43 15.971 15.525 -8.883 1.00 0.00 C ATOM 707 O LEU A 43 16.380 15.787 -7.752 1.00 0.00 O ATOM 708 OXT LEU A 43 16.680 15.741 -9.826 1.00 0.00 O ATOM 709 CB LEU A 43 13.570 16.061 -9.328 1.00 0.00 C ATOM 710 CG LEU A 43 12.154 15.613 -9.713 1.00 0.00 C ATOM 711 CD1 LEU A 43 11.251 16.833 -9.835 1.00 0.00 C ATOM 712 CD2 LEU A 43 12.204 14.837 -11.020 1.00 0.00 C ATOM 713 H LEU A 43 13.517 14.501 -7.288 1.00 0.00 H ATOM 714 HA LEU A 43 14.623 14.294 -9.975 1.00 0.00 H ATOM 715 1HB LEU A 43 13.494 16.655 -8.419 1.00 0.00 H ATOM 716 2HB LEU A 43 13.943 16.702 -10.127 1.00 0.00 H ATOM 717 HG LEU A 43 11.748 14.976 -8.927 1.00 0.00 H ATOM 718 1HD1 LEU A 43 10.245 16.515 -10.108 1.00 0.00 H ATOM 719 2HD1 LEU A 43 11.218 17.359 -8.881 1.00 0.00 H ATOM 720 3HD1 LEU A 43 11.642 17.499 -10.604 1.00 0.00 H ATOM 721 1HD2 LEU A 43 11.198 14.518 -11.293 1.00 0.00 H ATOM 722 2HD2 LEU A 43 12.609 15.474 -11.807 1.00 0.00 H ATOM 723 3HD2 LEU A 43 12.842 13.961 -10.899 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE nods_bigger.blueprint.34_try246_pass_20150520064527_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 rama omega fa_dun p_aa_pp ref total weights 0.8 0.44 0.75 0.004 0.7 1 1.17 1.17 1.17 1.1 1 0.2 0.5 0.56 0.32 1 NA pose -166.582 15.6484 89.387 0.26402 -18.3491 0 -23.9181 -1.23531 -1.69987 -3.89859 0 -6.1282 2.05127 36.3289 -5.40997 -8.52961 -92.0717 GLY:NtermProteinFull_1 -1.57451 0.12769 1.31342 0.00016 0.00074 0 0 0 0 0 0 0 0.00044 0 0 0.14053 0.00846 THR_2 -2.70867 0.21542 1.6174 0.0106 -0.0346 0 0 0 0 0 0 0.03412 0.00462 0.02554 0.0929 0.16454 -0.57813 GLU_3 -3.30785 0.29457 2.55468 0.00511 -1.08608 0 0 0 0 -0.32969 0 -0.26292 0.08584 2.36751 -0.15781 -1.55374 -1.39037 ASP_4 -3.13639 0.30828 2.085 0.00332 -0.18617 0 0 0 0 0 0 -0.10608 0.04525 1.29545 0.05372 -1.28682 -0.92443 LEU_5 -5.14013 0.36577 2.18235 0.00646 -0.16917 0 0 0 0 0 0 -0.11991 0.11147 0.24489 -0.12287 0.60233 -2.03881 LYS_6 -5.8182 0.47489 3.16852 0.00311 -1.09609 0 0 0 0 -0.32969 0 -0.19805 0.00612 0.84083 -0.04924 -0.28737 -3.28517 GLU_7 -4.40927 0.3485 3.06173 0.00509 -1.18289 0 0 0 0 -0.40273 0 -0.25048 0.12638 2.32977 -0.16434 -1.55374 -2.092 GLU_8 -5.07161 0.26734 3.76018 0.00505 -1.95982 0 0 0 0 -0.84857 0 -0.26175 0.21171 2.377 -0.1559 -1.55374 -3.2301 ALA_9 -4.55045 0.44049 1.89283 0.00073 -0.24034 0 0 0 0 0 0 -0.16518 0.15273 0 -0.17549 0.59294 -2.05173 LYS_10 -5.27575 0.49801 2.93481 0.00312 -1.07145 0 0 0 0 -0.40273 0 -0.13543 0.02232 0.92989 -0.03973 -0.28737 -2.82431 LYS_11 -4.33282 0.32656 2.92255 0.00318 -1.00257 0 0 0 0 -0.38804 0 -0.13652 0.0017 1.00861 -0.038 -0.28737 -1.92272 ALA_12 -4.82166 0.43138 2.36374 0.00073 -0.35621 0 0 0 0 0 0 -0.15769 0.00231 0 -0.17539 0.59294 -2.11984 LEU_13 -5.22289 0.52337 1.22326 0.00717 0.01624 0 0 0 0 0 0 -0.13791 0.21168 0.13995 -0.12593 0.60233 -2.76274 LYS_14 -2.42307 0.26524 1.36803 0.00308 0.00646 0 0 0 0 0 0 -0.24202 0.08731 0.76322 -0.03695 -0.28737 -0.49607 LYS_15 -2.21016 0.15779 1.18381 0.0031 -0.01001 0 0 0 0 0 0 -0.26312 0.00031 0.70147 -0.04501 -0.28737 -0.76919 GLY_16 -1.46716 0.2022 0.95487 1e-05 -0.09392 0 0 0 0 0 0 -0.18001 0.00084 0 -0.80892 0.14053 -1.25158 ASP_17 -3.96842 0.40785 2.92206 0.01731 -0.75894 0 0 0 -0.29106 0 0 -0.02028 0.03815 1.42631 -0.42683 -1.28682 -1.94066 LYS_18 -2.90535 0.2666 1.5574 0.00312 0.01516 0 0 0 0 0 0 -0.27211 0.00056 0.70495 -0.03528 -0.28737 -0.95234 GLU_19 -3.56733 0.44407 2.62269 0.00714 -0.92599 0 0 0 0 -0.31349 0 -0.05429 0.01065 2.07377 -0.11364 -1.55374 -1.37017 ARG_20 -4.80606 0.33371 3.39124 0.01196 -1.30972 0 0 0 -0.29106 -0.46053 0 -0.16204 0.02052 1.7721 -0.09061 -0.14916 -1.73965 ALA_21 -4.42864 0.41913 1.78065 0.00073 -0.17514 0 0 0 0 0 0 -0.10677 0.00185 0 -0.1527 0.59294 -2.06795 LYS_22 -4.18413 0.3314 1.96471 0.0031 -0.21626 0 0 0 0 0 0 -0.21915 5e-05 0.79671 -0.0456 -0.28737 -1.85654 ARG_23 -4.21903 0.31362 2.73006 0.00956 -0.99636 0 0 0 0 -0.31349 0 -0.16589 0.00626 1.68235 -0.07282 -0.14916 -1.1749 ALA_24 -4.11599 0.17506 1.82031 0.00073 -0.2466 0 0 0 0 0 0 -0.13561 0.01135 0 -0.15773 0.59294 -2.05553 LEU_25 -6.54669 0.88565 1.67384 0.00645 -0.14684 0 0 0 0 0 0 -0.14548 0.44086 0.15129 -0.12665 0.60233 -3.20525 LYS_26 -3.27677 0.37418 1.8226 0.00538 -0.20745 0 0 0 0 0 0 -0.13449 0.02833 0.8558 -0.03211 -0.28737 -0.85191 LYS_27 -2.749 0.53477 1.26131 0.00314 -0.06022 0 0 0 0 0 0 -0.26851 0.05094 0.70539 -0.03992 -0.28737 -0.84948 ALA_28 -3.14845 0.42483 1.22495 0.00089 -0.06892 0 0 0 0 0 0 -0.27005 0.04386 0 -0.05021 0.59294 -1.25016 GLY_29 -1.38594 0.41724 0.90573 1e-05 0.01058 0 0 0 0 0 0 -0.10035 0.00037 0 -0.80747 0.14053 -0.81931 LEU_30 -4.22354 0.28273 1.61735 0.00757 0.10964 0 0 0 0 0 0 -0.17933 0.10672 0.12435 -0.13782 0.60233 -1.68999 SER_31 -3.28365 0.45007 2.51442 0.00163 -0.6197 0 0 0 -0.55887 0 0 -0.22172 0.00099 0.0941 -0.2884 0.17658 -1.73453 GLU_32 -2.85766 0.2074 2.11587 0.00737 -0.78909 0 0 0 0 0 0 -0.06796 0.00235 2.12337 -0.07266 -1.55374 -0.88474 ASP_33 -2.50277 0.24113 1.74531 0.00333 -0.27356 0 0 0 0 0 0 -0.1271 0.00115 1.30606 0.04528 -1.28682 -0.848 GLN_34 -4.65035 0.27396 2.68088 0.00323 -0.29241 0 0 0 -0.55887 0 0 -0.18661 0.06864 2.02419 -0.14196 -1.17797 -1.95728 ILE_35 -6.21036 0.63582 2.25699 0.02026 -0.32709 0 0 0 0 0 0 0.02017 0.00145 0.08906 -0.13117 0.8318 -2.81306 LYS_36 -4.1182 0.28382 2.62888 0.00315 -0.81884 0 0 0 0 0 0 -0.20724 0.06026 0.84308 -0.04544 -0.28737 -1.6579 LYS_37 -3.94783 0.46337 2.83393 0.00576 -1.18428 0 0 0 0 -0.05481 0 -0.04269 0.00992 1.46545 -0.04064 -0.28737 -0.77919 PHE_38 -6.42128 0.75676 2.14445 0.03068 -0.21786 0 0 0 0 0 0 -0.00151 0.00375 1.60181 -0.07501 0.43057 -1.74765 ILE_39 -5.43071 0.49047 1.81151 0.02128 -0.15964 0 0 0 0 0 0 -0.00968 0.00115 0.10406 -0.04789 0.8318 -2.38765 LYS_40 -3.00533 0.24878 1.78442 0.00309 0.09997 0 0 0 0 0 0 -0.25507 0.00755 0.74142 -0.03778 -0.28737 -0.70033 GLU_41 -3.26613 0.3054 2.69454 0.00469 -0.91022 0 0 0 0 -0.05481 0 -0.23874 0.00148 2.15343 -0.14556 -1.55374 -1.00966 VAL_42 -3.09842 0.29369 0.95943 0.01504 0.21928 0 0 0 0 0 0 0.02726 0.06108 0.01153 -0.19043 0.74484 -0.95669 LEU:CtermProteinFull_43 -2.79382 0.13935 1.33428 0.00739 0.36731 0 0 0 0 0 0 0 0 0.45417 0 0.60233 0.11101 #END_POSE_ENERGIES_TABLE nods_bigger.blueprint.34_try246_pass_20150520064527_0001.pdb AlaCount 5 bb -0.0287215 buried_minus_exposed 3699.7 buried_np 5342.35 buried_over_exposed 3.25226 cavity_volume 0 contact_all 226 contact_core_SASA 226 contact_core_SCN 226 degree 10.3488 degree_core_SASA 10.3488 degree_core_SCN 10.3488 exposed_hydrophobics 1642.65 holes 1.30703 mismatch_probability 0.114897 one_core_each 1 pack 0.716957 percent_core_SASA 0.0697512 percent_core_SCN 0.139502 res_count_core_SASA 3 res_count_core_SCN 6 ss_sc 0.828593 two_core_each 0.666667 unsat_hbond 0
HHH_rd2_0114.pdb
ATOM 1 N SER A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA SER A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C SER A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O SER A 1 1.260 2.387 -0.143 1.00 0.00 O ATOM 5 CB SER A 1 1.980 -0.754 -1.207 1.00 0.00 C ATOM 6 OG SER A 1 1.782 -0.019 -2.383 1.00 0.00 O ATOM 7 1H SER A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 8 2H SER A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 9 3H SER A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 10 HA SER A 1 1.820 -0.555 0.878 1.00 0.00 H ATOM 11 1HB SER A 1 3.042 -0.959 -1.077 1.00 0.00 H ATOM 12 2HB SER A 1 1.470 -1.714 -1.285 1.00 0.00 H ATOM 13 HG SER A 1 1.718 -0.664 -3.091 1.00 0.00 H ATOM 14 N ASP A 2 3.322 1.540 0.161 1.00 0.00 N ATOM 15 CA ASP A 2 3.983 2.839 0.130 1.00 0.00 C ATOM 16 C ASP A 2 3.899 3.467 -1.256 1.00 0.00 C ATOM 17 O ASP A 2 3.740 4.680 -1.390 1.00 0.00 O ATOM 18 CB ASP A 2 5.449 2.706 0.549 1.00 0.00 C ATOM 19 CG ASP A 2 5.618 2.449 2.040 1.00 0.00 C ATOM 20 OD1 ASP A 2 4.725 2.778 2.785 1.00 0.00 O ATOM 21 OD2 ASP A 2 6.638 1.926 2.420 1.00 0.00 O ATOM 22 H ASP A 2 3.878 0.709 0.308 1.00 0.00 H ATOM 23 HA ASP A 2 3.484 3.498 0.842 1.00 0.00 H ATOM 24 1HB ASP A 2 5.912 1.887 -0.001 1.00 0.00 H ATOM 25 2HB ASP A 2 5.986 3.619 0.289 1.00 0.00 H ATOM 26 N GLU A 3 4.008 2.633 -2.285 1.00 0.00 N ATOM 27 CA GLU A 3 3.926 3.102 -3.663 1.00 0.00 C ATOM 28 C GLU A 3 2.500 3.499 -4.025 1.00 0.00 C ATOM 29 O GLU A 3 2.283 4.435 -4.795 1.00 0.00 O ATOM 30 CB GLU A 3 4.424 2.021 -4.625 1.00 0.00 C ATOM 31 CG GLU A 3 5.909 1.709 -4.505 1.00 0.00 C ATOM 32 CD GLU A 3 6.781 2.908 -4.755 1.00 0.00 C ATOM 33 OE1 GLU A 3 6.591 3.559 -5.754 1.00 0.00 O ATOM 34 OE2 GLU A 3 7.637 3.174 -3.945 1.00 0.00 O ATOM 35 H GLU A 3 4.152 1.649 -2.108 1.00 0.00 H ATOM 36 HA GLU A 3 4.570 3.975 -3.771 1.00 0.00 H ATOM 37 1HB GLU A 3 3.873 1.096 -4.450 1.00 0.00 H ATOM 38 2HB GLU A 3 4.229 2.329 -5.652 1.00 0.00 H ATOM 39 1HG GLU A 3 6.111 1.330 -3.503 1.00 0.00 H ATOM 40 2HG GLU A 3 6.164 0.926 -5.218 1.00 0.00 H ATOM 41 N ALA A 4 1.531 2.782 -3.466 1.00 0.00 N ATOM 42 CA ALA A 4 0.126 3.128 -3.638 1.00 0.00 C ATOM 43 C ALA A 4 -0.181 4.499 -3.050 1.00 0.00 C ATOM 44 O ALA A 4 -0.945 5.275 -3.623 1.00 0.00 O ATOM 45 CB ALA A 4 -0.763 2.069 -3.002 1.00 0.00 C ATOM 46 H ALA A 4 1.775 1.977 -2.907 1.00 0.00 H ATOM 47 HA ALA A 4 -0.097 3.148 -4.706 1.00 0.00 H ATOM 48 1HB ALA A 4 -1.809 2.341 -3.139 1.00 0.00 H ATOM 49 2HB ALA A 4 -0.574 1.105 -3.473 1.00 0.00 H ATOM 50 3HB ALA A 4 -0.542 2.002 -1.938 1.00 0.00 H ATOM 51 N ARG A 5 0.421 4.793 -1.902 1.00 0.00 N ATOM 52 CA ARG A 5 0.313 6.115 -1.297 1.00 0.00 C ATOM 53 C ARG A 5 0.882 7.189 -2.214 1.00 0.00 C ATOM 54 O ARG A 5 0.278 8.246 -2.397 1.00 0.00 O ATOM 55 CB ARG A 5 1.043 6.153 0.038 1.00 0.00 C ATOM 56 CG ARG A 5 0.831 7.423 0.846 1.00 0.00 C ATOM 57 CD ARG A 5 1.603 7.402 2.115 1.00 0.00 C ATOM 58 NE ARG A 5 1.327 6.209 2.898 1.00 0.00 N ATOM 59 CZ ARG A 5 2.200 5.201 3.092 1.00 0.00 C ATOM 60 NH1 ARG A 5 3.399 5.258 2.554 1.00 0.00 N ATOM 61 NH2 ARG A 5 1.853 4.156 3.822 1.00 0.00 N ATOM 62 H ARG A 5 0.967 4.082 -1.437 1.00 0.00 H ATOM 63 HA ARG A 5 -0.741 6.329 -1.119 1.00 0.00 H ATOM 64 1HB ARG A 5 0.722 5.314 0.653 1.00 0.00 H ATOM 65 2HB ARG A 5 2.115 6.045 -0.130 1.00 0.00 H ATOM 66 1HG ARG A 5 1.154 8.285 0.262 1.00 0.00 H ATOM 67 2HG ARG A 5 -0.227 7.527 1.090 1.00 0.00 H ATOM 68 1HD ARG A 5 2.669 7.425 1.892 1.00 0.00 H ATOM 69 2HD ARG A 5 1.339 8.272 2.716 1.00 0.00 H ATOM 70 HE ARG A 5 0.415 6.129 3.328 1.00 0.00 H ATOM 71 1HH1 ARG A 5 3.664 6.057 1.995 1.00 0.00 H ATOM 72 2HH1 ARG A 5 4.053 4.503 2.698 1.00 0.00 H ATOM 73 1HH2 ARG A 5 0.932 4.113 4.236 1.00 0.00 H ATOM 74 2HH2 ARG A 5 2.507 3.402 3.967 1.00 0.00 H ATOM 75 N LYS A 6 2.047 6.912 -2.790 1.00 0.00 N ATOM 76 CA LYS A 6 2.658 7.816 -3.757 1.00 0.00 C ATOM 77 C LYS A 6 1.733 8.062 -4.942 1.00 0.00 C ATOM 78 O LYS A 6 1.588 9.193 -5.405 1.00 0.00 O ATOM 79 CB LYS A 6 3.996 7.257 -4.242 1.00 0.00 C ATOM 80 CG LYS A 6 5.092 7.243 -3.184 1.00 0.00 C ATOM 81 CD LYS A 6 6.364 6.598 -3.715 1.00 0.00 C ATOM 82 CE LYS A 6 7.410 6.452 -2.619 1.00 0.00 C ATOM 83 NZ LYS A 6 8.623 5.737 -3.100 1.00 0.00 N ATOM 84 H LYS A 6 2.521 6.053 -2.552 1.00 0.00 H ATOM 85 HA LYS A 6 2.855 8.769 -3.264 1.00 0.00 H ATOM 86 1HB LYS A 6 3.858 6.235 -4.594 1.00 0.00 H ATOM 87 2HB LYS A 6 4.353 7.848 -5.086 1.00 0.00 H ATOM 88 1HG LYS A 6 5.314 8.266 -2.877 1.00 0.00 H ATOM 89 2HG LYS A 6 4.749 6.687 -2.312 1.00 0.00 H ATOM 90 1HD LYS A 6 6.131 5.612 -4.118 1.00 0.00 H ATOM 91 2HD LYS A 6 6.776 7.211 -4.517 1.00 0.00 H ATOM 92 1HE LYS A 6 7.702 7.438 -2.261 1.00 0.00 H ATOM 93 2HE LYS A 6 6.985 5.897 -1.783 1.00 0.00 H ATOM 94 1HZ LYS A 6 9.290 5.660 -2.345 1.00 0.00 H ATOM 95 2HZ LYS A 6 8.366 4.813 -3.418 1.00 0.00 H ATOM 96 3HZ LYS A 6 9.037 6.252 -3.864 1.00 0.00 H ATOM 97 N ILE A 7 1.108 6.995 -5.430 1.00 0.00 N ATOM 98 CA ILE A 7 0.167 7.099 -6.539 1.00 0.00 C ATOM 99 C ILE A 7 -1.030 7.964 -6.166 1.00 0.00 C ATOM 100 O ILE A 7 -1.442 8.834 -6.933 1.00 0.00 O ATOM 101 CB ILE A 7 -0.322 5.706 -6.976 1.00 0.00 C ATOM 102 CG1 ILE A 7 0.817 4.922 -7.633 1.00 0.00 C ATOM 103 CG2 ILE A 7 -1.503 5.831 -7.926 1.00 0.00 C ATOM 104 CD1 ILE A 7 0.520 3.452 -7.817 1.00 0.00 C ATOM 105 H ILE A 7 1.290 6.089 -5.022 1.00 0.00 H ATOM 106 HA ILE A 7 0.679 7.557 -7.386 1.00 0.00 H ATOM 107 HB ILE A 7 -0.632 5.138 -6.100 1.00 0.00 H ATOM 108 1HG1 ILE A 7 1.038 5.351 -8.609 1.00 0.00 H ATOM 109 2HG1 ILE A 7 1.719 5.013 -7.026 1.00 0.00 H ATOM 110 1HG2 ILE A 7 -1.835 4.838 -8.226 1.00 0.00 H ATOM 111 2HG2 ILE A 7 -2.319 6.351 -7.426 1.00 0.00 H ATOM 112 3HG2 ILE A 7 -1.201 6.395 -8.810 1.00 0.00 H ATOM 113 1HD1 ILE A 7 1.374 2.964 -8.288 1.00 0.00 H ATOM 114 2HD1 ILE A 7 0.330 2.994 -6.846 1.00 0.00 H ATOM 115 3HD1 ILE A 7 -0.358 3.335 -8.451 1.00 0.00 H ATOM 116 N ALA A 8 -1.585 7.720 -4.983 1.00 0.00 N ATOM 117 CA ALA A 8 -2.737 8.475 -4.507 1.00 0.00 C ATOM 118 C ALA A 8 -2.440 9.969 -4.470 1.00 0.00 C ATOM 119 O ALA A 8 -3.254 10.785 -4.901 1.00 0.00 O ATOM 120 CB ALA A 8 -3.159 7.986 -3.130 1.00 0.00 C ATOM 121 H ALA A 8 -1.198 6.992 -4.400 1.00 0.00 H ATOM 122 HA ALA A 8 -3.571 8.302 -5.189 1.00 0.00 H ATOM 123 1HB ALA A 8 -4.021 8.559 -2.788 1.00 0.00 H ATOM 124 2HB ALA A 8 -3.425 6.930 -3.184 1.00 0.00 H ATOM 125 3HB ALA A 8 -2.336 8.116 -2.429 1.00 0.00 H ATOM 126 N GLU A 9 -1.268 10.321 -3.952 1.00 0.00 N ATOM 127 CA GLU A 9 -0.838 11.713 -3.905 1.00 0.00 C ATOM 128 C GLU A 9 -0.730 12.304 -5.305 1.00 0.00 C ATOM 129 O GLU A 9 -1.252 13.385 -5.575 1.00 0.00 O ATOM 130 CB GLU A 9 0.507 11.832 -3.185 1.00 0.00 C ATOM 131 CG GLU A 9 1.027 13.257 -3.057 1.00 0.00 C ATOM 132 CD GLU A 9 2.339 13.337 -2.326 1.00 0.00 C ATOM 133 OE1 GLU A 9 2.824 12.316 -1.901 1.00 0.00 O ATOM 134 OE2 GLU A 9 2.857 14.421 -2.193 1.00 0.00 O ATOM 135 H GLU A 9 -0.659 9.605 -3.581 1.00 0.00 H ATOM 136 HA GLU A 9 -1.576 12.284 -3.341 1.00 0.00 H ATOM 137 1HB GLU A 9 0.420 11.417 -2.181 1.00 0.00 H ATOM 138 2HB GLU A 9 1.258 11.249 -3.718 1.00 0.00 H ATOM 139 1HG GLU A 9 1.154 13.678 -4.054 1.00 0.00 H ATOM 140 2HG GLU A 9 0.286 13.857 -2.531 1.00 0.00 H ATOM 141 N GLU A 10 -0.048 11.587 -6.193 1.00 0.00 N ATOM 142 CA GLU A 10 0.185 12.068 -7.549 1.00 0.00 C ATOM 143 C GLU A 10 -1.128 12.285 -8.290 1.00 0.00 C ATOM 144 O GLU A 10 -1.332 13.322 -8.921 1.00 0.00 O ATOM 145 CB GLU A 10 1.061 11.081 -8.322 1.00 0.00 C ATOM 146 CG GLU A 10 1.304 11.460 -9.776 1.00 0.00 C ATOM 147 CD GLU A 10 2.118 12.715 -9.926 1.00 0.00 C ATOM 148 OE1 GLU A 10 2.810 13.065 -9.000 1.00 0.00 O ATOM 149 OE2 GLU A 10 2.049 13.324 -10.967 1.00 0.00 O ATOM 150 H GLU A 10 0.317 10.686 -5.921 1.00 0.00 H ATOM 151 HA GLU A 10 0.715 13.020 -7.492 1.00 0.00 H ATOM 152 1HB GLU A 10 2.032 10.995 -7.833 1.00 0.00 H ATOM 153 2HB GLU A 10 0.598 10.094 -8.307 1.00 0.00 H ATOM 154 1HG GLU A 10 1.825 10.641 -10.273 1.00 0.00 H ATOM 155 2HG GLU A 10 0.343 11.595 -10.271 1.00 0.00 H ATOM 156 N LEU A 11 -2.016 11.300 -8.211 1.00 0.00 N ATOM 157 CA LEU A 11 -3.297 11.365 -8.905 1.00 0.00 C ATOM 158 C LEU A 11 -4.137 12.532 -8.403 1.00 0.00 C ATOM 159 O LEU A 11 -4.784 13.225 -9.187 1.00 0.00 O ATOM 160 CB LEU A 11 -4.069 10.053 -8.716 1.00 0.00 C ATOM 161 CG LEU A 11 -3.515 8.840 -9.475 1.00 0.00 C ATOM 162 CD1 LEU A 11 -4.295 7.593 -9.079 1.00 0.00 C ATOM 163 CD2 LEU A 11 -3.610 9.091 -10.972 1.00 0.00 C ATOM 164 H LEU A 11 -1.798 10.485 -7.655 1.00 0.00 H ATOM 165 HA LEU A 11 -3.107 11.503 -9.970 1.00 0.00 H ATOM 166 1HB LEU A 11 -4.077 9.804 -7.656 1.00 0.00 H ATOM 167 2HB LEU A 11 -5.098 10.205 -9.040 1.00 0.00 H ATOM 168 HG LEU A 11 -2.472 8.683 -9.199 1.00 0.00 H ATOM 169 1HD1 LEU A 11 -3.901 6.731 -9.618 1.00 0.00 H ATOM 170 2HD1 LEU A 11 -4.193 7.426 -8.006 1.00 0.00 H ATOM 171 3HD1 LEU A 11 -5.347 7.728 -9.328 1.00 0.00 H ATOM 172 1HD2 LEU A 11 -3.216 8.230 -11.512 1.00 0.00 H ATOM 173 2HD2 LEU A 11 -4.653 9.247 -11.250 1.00 0.00 H ATOM 174 3HD2 LEU A 11 -3.030 9.977 -11.230 1.00 0.00 H ATOM 175 N LYS A 12 -4.122 12.744 -7.091 1.00 0.00 N ATOM 176 CA LYS A 12 -4.801 13.887 -6.493 1.00 0.00 C ATOM 177 C LYS A 12 -4.266 15.200 -7.050 1.00 0.00 C ATOM 178 O LYS A 12 -5.031 16.121 -7.338 1.00 0.00 O ATOM 179 CB LYS A 12 -4.651 13.862 -4.971 1.00 0.00 C ATOM 180 CG LYS A 12 -5.373 14.993 -4.249 1.00 0.00 C ATOM 181 CD LYS A 12 -5.380 14.772 -2.744 1.00 0.00 C ATOM 182 CE LYS A 12 -6.070 15.918 -2.019 1.00 0.00 C ATOM 183 NZ LYS A 12 -6.268 15.623 -0.574 1.00 0.00 N ATOM 184 H LYS A 12 -3.628 12.098 -6.494 1.00 0.00 H ATOM 185 HA LYS A 12 -5.865 13.817 -6.723 1.00 0.00 H ATOM 186 1HB LYS A 12 -5.035 12.919 -4.583 1.00 0.00 H ATOM 187 2HB LYS A 12 -3.595 13.919 -4.708 1.00 0.00 H ATOM 188 1HG LYS A 12 -4.876 15.939 -4.467 1.00 0.00 H ATOM 189 2HG LYS A 12 -6.401 15.053 -4.604 1.00 0.00 H ATOM 190 1HD LYS A 12 -5.900 13.841 -2.515 1.00 0.00 H ATOM 191 2HD LYS A 12 -4.354 14.692 -2.383 1.00 0.00 H ATOM 192 1HE LYS A 12 -5.471 16.822 -2.113 1.00 0.00 H ATOM 193 2HE LYS A 12 -7.043 16.103 -2.475 1.00 0.00 H ATOM 194 1HZ LYS A 12 -6.728 16.405 -0.130 1.00 0.00 H ATOM 195 2HZ LYS A 12 -6.839 14.795 -0.473 1.00 0.00 H ATOM 196 3HZ LYS A 12 -5.372 15.467 -0.135 1.00 0.00 H ATOM 197 N ARG A 13 -2.949 15.280 -7.201 1.00 0.00 N ATOM 198 CA ARG A 13 -2.315 16.452 -7.794 1.00 0.00 C ATOM 199 C ARG A 13 -2.704 16.606 -9.258 1.00 0.00 C ATOM 200 O ARG A 13 -2.734 17.717 -9.789 1.00 0.00 O ATOM 201 CB ARG A 13 -0.801 16.355 -7.682 1.00 0.00 C ATOM 202 CG ARG A 13 -0.255 16.479 -6.268 1.00 0.00 C ATOM 203 CD ARG A 13 1.227 16.383 -6.242 1.00 0.00 C ATOM 204 NE ARG A 13 1.742 16.308 -4.883 1.00 0.00 N ATOM 205 CZ ARG A 13 1.950 17.372 -4.085 1.00 0.00 C ATOM 206 NH1 ARG A 13 1.685 18.584 -4.521 1.00 0.00 N ATOM 207 NH2 ARG A 13 2.422 17.199 -2.862 1.00 0.00 N ATOM 208 H ARG A 13 -2.371 14.509 -6.897 1.00 0.00 H ATOM 209 HA ARG A 13 -2.645 17.337 -7.249 1.00 0.00 H ATOM 210 1HB ARG A 13 -0.467 15.399 -8.082 1.00 0.00 H ATOM 211 2HB ARG A 13 -0.341 17.140 -8.283 1.00 0.00 H ATOM 212 1HG ARG A 13 -0.543 17.443 -5.850 1.00 0.00 H ATOM 213 2HG ARG A 13 -0.661 15.678 -5.650 1.00 0.00 H ATOM 214 1HD ARG A 13 1.543 15.487 -6.775 1.00 0.00 H ATOM 215 2HD ARG A 13 1.657 17.261 -6.721 1.00 0.00 H ATOM 216 HE ARG A 13 1.958 15.392 -4.512 1.00 0.00 H ATOM 217 1HH1 ARG A 13 1.324 18.716 -5.456 1.00 0.00 H ATOM 218 2HH1 ARG A 13 1.841 19.382 -3.923 1.00 0.00 H ATOM 219 1HH2 ARG A 13 2.626 16.268 -2.527 1.00 0.00 H ATOM 220 2HH2 ARG A 13 2.579 17.997 -2.264 1.00 0.00 H ATOM 221 N ARG A 14 -3.001 15.486 -9.908 1.00 0.00 N ATOM 222 CA ARG A 14 -3.405 15.497 -11.309 1.00 0.00 C ATOM 223 C ARG A 14 -4.904 15.733 -11.448 1.00 0.00 C ATOM 224 O ARG A 14 -5.442 15.730 -12.555 1.00 0.00 O ATOM 225 CB ARG A 14 -3.037 14.183 -11.982 1.00 0.00 C ATOM 226 CG ARG A 14 -1.544 13.943 -12.142 1.00 0.00 C ATOM 227 CD ARG A 14 -1.265 12.660 -12.837 1.00 0.00 C ATOM 228 NE ARG A 14 0.161 12.398 -12.941 1.00 0.00 N ATOM 229 CZ ARG A 14 0.713 11.481 -13.759 1.00 0.00 C ATOM 230 NH1 ARG A 14 -0.053 10.747 -14.536 1.00 0.00 N ATOM 231 NH2 ARG A 14 2.024 11.318 -13.780 1.00 0.00 N ATOM 232 H ARG A 14 -2.946 14.604 -9.419 1.00 0.00 H ATOM 233 HA ARG A 14 -2.891 16.317 -11.811 1.00 0.00 H ATOM 234 1HB ARG A 14 -3.445 13.353 -11.408 1.00 0.00 H ATOM 235 2HB ARG A 14 -3.485 14.145 -12.975 1.00 0.00 H ATOM 236 1HG ARG A 14 -1.105 14.752 -12.726 1.00 0.00 H ATOM 237 2HG ARG A 14 -1.074 13.909 -11.158 1.00 0.00 H ATOM 238 1HD ARG A 14 -1.723 11.840 -12.285 1.00 0.00 H ATOM 239 2HD ARG A 14 -1.680 12.695 -13.844 1.00 0.00 H ATOM 240 HE ARG A 14 0.783 12.943 -12.358 1.00 0.00 H ATOM 241 1HH1 ARG A 14 -1.055 10.872 -14.520 1.00 0.00 H ATOM 242 2HH1 ARG A 14 0.361 10.060 -15.149 1.00 0.00 H ATOM 243 1HH2 ARG A 14 2.613 11.882 -13.182 1.00 0.00 H ATOM 244 2HH2 ARG A 14 2.438 10.631 -14.392 1.00 0.00 H ATOM 245 N GLY A 15 -5.573 15.937 -10.319 1.00 0.00 N ATOM 246 CA GLY A 15 -6.976 16.333 -10.321 1.00 0.00 C ATOM 247 C GLY A 15 -7.891 15.120 -10.425 1.00 0.00 C ATOM 248 O GLY A 15 -8.962 15.188 -11.028 1.00 0.00 O ATOM 249 H GLY A 15 -5.098 15.815 -9.436 1.00 0.00 H ATOM 250 1HA GLY A 15 -7.200 16.885 -9.408 1.00 0.00 H ATOM 251 2HA GLY A 15 -7.163 17.007 -11.157 1.00 0.00 H ATOM 252 N TYR A 16 -7.463 14.010 -9.833 1.00 0.00 N ATOM 253 CA TYR A 16 -8.305 12.825 -9.726 1.00 0.00 C ATOM 254 C TYR A 16 -8.954 12.733 -8.351 1.00 0.00 C ATOM 255 O TYR A 16 -8.333 13.056 -7.338 1.00 0.00 O ATOM 256 CB TYR A 16 -7.491 11.561 -10.014 1.00 0.00 C ATOM 257 CG TYR A 16 -7.118 11.395 -11.470 1.00 0.00 C ATOM 258 CD1 TYR A 16 -5.960 11.979 -11.961 1.00 0.00 C ATOM 259 CD2 TYR A 16 -7.934 10.657 -12.315 1.00 0.00 C ATOM 260 CE1 TYR A 16 -5.619 11.827 -13.291 1.00 0.00 C ATOM 261 CE2 TYR A 16 -7.593 10.504 -13.645 1.00 0.00 C ATOM 262 CZ TYR A 16 -6.441 11.086 -14.133 1.00 0.00 C ATOM 263 OH TYR A 16 -6.101 10.934 -15.458 1.00 0.00 O ATOM 264 H TYR A 16 -6.530 13.987 -9.447 1.00 0.00 H ATOM 265 HA TYR A 16 -9.104 12.900 -10.464 1.00 0.00 H ATOM 266 1HB TYR A 16 -6.572 11.579 -9.426 1.00 0.00 H ATOM 267 2HB TYR A 16 -8.059 10.684 -9.706 1.00 0.00 H ATOM 268 HD1 TYR A 16 -5.318 12.559 -11.297 1.00 0.00 H ATOM 269 HD2 TYR A 16 -8.844 10.198 -11.929 1.00 0.00 H ATOM 270 HE1 TYR A 16 -4.709 12.286 -13.676 1.00 0.00 H ATOM 271 HE2 TYR A 16 -8.235 9.925 -14.309 1.00 0.00 H ATOM 272 HH TYR A 16 -6.769 10.404 -15.899 1.00 0.00 H ATOM 273 N SER A 17 -10.207 12.291 -8.322 1.00 0.00 N ATOM 274 CA SER A 17 -10.938 12.143 -7.069 1.00 0.00 C ATOM 275 C SER A 17 -10.510 10.884 -6.326 1.00 0.00 C ATOM 276 O SER A 17 -9.973 9.952 -6.923 1.00 0.00 O ATOM 277 CB SER A 17 -12.430 12.100 -7.338 1.00 0.00 C ATOM 278 OG SER A 17 -12.788 10.914 -7.992 1.00 0.00 O ATOM 279 H SER A 17 -10.664 12.050 -9.189 1.00 0.00 H ATOM 280 HA SER A 17 -10.720 13.005 -6.437 1.00 0.00 H ATOM 281 1HB SER A 17 -12.972 12.176 -6.395 1.00 0.00 H ATOM 282 2HB SER A 17 -12.714 12.956 -7.948 1.00 0.00 H ATOM 283 HG SER A 17 -13.508 11.146 -8.584 1.00 0.00 H ATOM 284 N PRO A 18 -10.752 10.863 -5.020 1.00 0.00 N ATOM 285 CA PRO A 18 -10.446 9.695 -4.202 1.00 0.00 C ATOM 286 C PRO A 18 -11.051 8.431 -4.799 1.00 0.00 C ATOM 287 O PRO A 18 -10.436 7.366 -4.776 1.00 0.00 O ATOM 288 CB PRO A 18 -11.081 10.043 -2.852 1.00 0.00 C ATOM 289 CG PRO A 18 -11.022 11.531 -2.793 1.00 0.00 C ATOM 290 CD PRO A 18 -11.319 11.974 -4.201 1.00 0.00 C ATOM 291 HA PRO A 18 -9.362 9.577 -4.160 1.00 0.00 H ATOM 292 1HB PRO A 18 -12.109 9.654 -2.809 1.00 0.00 H ATOM 293 2HB PRO A 18 -10.521 9.561 -2.038 1.00 0.00 H ATOM 294 1HG PRO A 18 -11.755 11.912 -2.067 1.00 0.00 H ATOM 295 2HG PRO A 18 -10.031 11.859 -2.446 1.00 0.00 H ATOM 296 1HD PRO A 18 -12.406 12.066 -4.336 1.00 0.00 H ATOM 297 2HD PRO A 18 -10.820 12.935 -4.397 1.00 0.00 H ATOM 298 N GLU A 19 -12.261 8.557 -5.334 1.00 0.00 N ATOM 299 CA GLU A 19 -12.921 7.444 -6.007 1.00 0.00 C ATOM 300 C GLU A 19 -12.107 6.962 -7.201 1.00 0.00 C ATOM 301 O GLU A 19 -11.855 5.767 -7.351 1.00 0.00 O ATOM 302 CB GLU A 19 -14.323 7.852 -6.464 1.00 0.00 C ATOM 303 CG GLU A 19 -15.097 6.752 -7.177 1.00 0.00 C ATOM 304 CD GLU A 19 -16.474 7.184 -7.597 1.00 0.00 C ATOM 305 OE1 GLU A 19 -16.860 8.279 -7.264 1.00 0.00 O ATOM 306 OE2 GLU A 19 -17.141 6.419 -8.252 1.00 0.00 O ATOM 307 H GLU A 19 -12.737 9.446 -5.272 1.00 0.00 H ATOM 308 HA GLU A 19 -13.021 6.621 -5.297 1.00 0.00 H ATOM 309 1HB GLU A 19 -14.909 8.168 -5.601 1.00 0.00 H ATOM 310 2HB GLU A 19 -14.251 8.704 -7.140 1.00 0.00 H ATOM 311 1HG GLU A 19 -14.539 6.445 -8.061 1.00 0.00 H ATOM 312 2HG GLU A 19 -15.177 5.891 -6.515 1.00 0.00 H ATOM 313 N GLN A 20 -11.699 7.900 -8.049 1.00 0.00 N ATOM 314 CA GLN A 20 -10.903 7.574 -9.227 1.00 0.00 C ATOM 315 C GLN A 20 -9.564 6.963 -8.835 1.00 0.00 C ATOM 316 O GLN A 20 -9.062 6.061 -9.506 1.00 0.00 O ATOM 317 CB GLN A 20 -10.677 8.822 -10.083 1.00 0.00 C ATOM 318 CG GLN A 20 -11.923 9.325 -10.791 1.00 0.00 C ATOM 319 CD GLN A 20 -11.686 10.633 -11.523 1.00 0.00 C ATOM 320 OE1 GLN A 20 -11.184 11.601 -10.945 1.00 0.00 O ATOM 321 NE2 GLN A 20 -12.044 10.668 -12.801 1.00 0.00 N ATOM 322 H GLN A 20 -11.946 8.863 -7.874 1.00 0.00 H ATOM 323 HA GLN A 20 -11.455 6.850 -9.828 1.00 0.00 H ATOM 324 1HB GLN A 20 -10.297 9.629 -9.457 1.00 0.00 H ATOM 325 2HB GLN A 20 -9.922 8.612 -10.840 1.00 0.00 H ATOM 326 1HG GLN A 20 -12.242 8.579 -11.519 1.00 0.00 H ATOM 327 2HG GLN A 20 -12.709 9.485 -10.053 1.00 0.00 H ATOM 328 1HE2 GLN A 20 -11.911 11.504 -13.336 1.00 0.00 H ATOM 329 2HE2 GLN A 20 -12.447 9.859 -13.231 1.00 0.00 H ATOM 330 N ILE A 21 -8.990 7.459 -7.744 1.00 0.00 N ATOM 331 CA ILE A 21 -7.727 6.934 -7.237 1.00 0.00 C ATOM 332 C ILE A 21 -7.869 5.480 -6.805 1.00 0.00 C ATOM 333 O ILE A 21 -7.026 4.642 -7.126 1.00 0.00 O ATOM 334 CB ILE A 21 -7.220 7.775 -6.051 1.00 0.00 C ATOM 335 CG1 ILE A 21 -6.825 9.177 -6.522 1.00 0.00 C ATOM 336 CG2 ILE A 21 -6.045 7.086 -5.375 1.00 0.00 C ATOM 337 CD1 ILE A 21 -6.585 10.155 -5.394 1.00 0.00 C ATOM 338 H ILE A 21 -9.439 8.219 -7.254 1.00 0.00 H ATOM 339 HA ILE A 21 -6.984 6.992 -8.033 1.00 0.00 H ATOM 340 HB ILE A 21 -8.022 7.901 -5.325 1.00 0.00 H ATOM 341 1HG1 ILE A 21 -5.917 9.118 -7.121 1.00 0.00 H ATOM 342 2HG1 ILE A 21 -7.611 9.582 -7.160 1.00 0.00 H ATOM 343 1HG2 ILE A 21 -5.698 7.694 -4.540 1.00 0.00 H ATOM 344 2HG2 ILE A 21 -6.358 6.110 -5.007 1.00 0.00 H ATOM 345 3HG2 ILE A 21 -5.234 6.961 -6.093 1.00 0.00 H ATOM 346 1HD1 ILE A 21 -6.309 11.126 -5.806 1.00 0.00 H ATOM 347 2HD1 ILE A 21 -7.494 10.257 -4.801 1.00 0.00 H ATOM 348 3HD1 ILE A 21 -5.778 9.788 -4.761 1.00 0.00 H ATOM 349 N ILE A 22 -8.940 5.186 -6.076 1.00 0.00 N ATOM 350 CA ILE A 22 -9.222 3.822 -5.645 1.00 0.00 C ATOM 351 C ILE A 22 -9.398 2.893 -6.839 1.00 0.00 C ATOM 352 O ILE A 22 -8.877 1.778 -6.852 1.00 0.00 O ATOM 353 CB ILE A 22 -10.485 3.775 -4.766 1.00 0.00 C ATOM 354 CG1 ILE A 22 -10.225 4.457 -3.420 1.00 0.00 C ATOM 355 CG2 ILE A 22 -10.935 2.337 -4.559 1.00 0.00 C ATOM 356 CD1 ILE A 22 -11.477 4.711 -2.612 1.00 0.00 C ATOM 357 H ILE A 22 -9.574 5.927 -5.813 1.00 0.00 H ATOM 358 HA ILE A 22 -8.383 3.467 -5.046 1.00 0.00 H ATOM 359 HB ILE A 22 -11.287 4.330 -5.251 1.00 0.00 H ATOM 360 1HG1 ILE A 22 -9.553 3.841 -2.824 1.00 0.00 H ATOM 361 2HG1 ILE A 22 -9.729 5.414 -3.587 1.00 0.00 H ATOM 362 1HG2 ILE A 22 -11.829 2.321 -3.935 1.00 0.00 H ATOM 363 2HG2 ILE A 22 -11.159 1.883 -5.523 1.00 0.00 H ATOM 364 3HG2 ILE A 22 -10.141 1.774 -4.068 1.00 0.00 H ATOM 365 1HD1 ILE A 22 -11.212 5.197 -1.673 1.00 0.00 H ATOM 366 2HD1 ILE A 22 -12.151 5.356 -3.177 1.00 0.00 H ATOM 367 3HD1 ILE A 22 -11.973 3.764 -2.402 1.00 0.00 H ATOM 368 N ARG A 23 -10.136 3.359 -7.841 1.00 0.00 N ATOM 369 CA ARG A 23 -10.354 2.583 -9.056 1.00 0.00 C ATOM 370 C ARG A 23 -9.039 2.294 -9.769 1.00 0.00 C ATOM 371 O ARG A 23 -8.816 1.186 -10.255 1.00 0.00 O ATOM 372 CB ARG A 23 -11.288 3.323 -10.003 1.00 0.00 C ATOM 373 CG ARG A 23 -12.732 3.414 -9.534 1.00 0.00 C ATOM 374 CD ARG A 23 -13.577 4.161 -10.501 1.00 0.00 C ATOM 375 NE ARG A 23 -14.911 4.407 -9.978 1.00 0.00 N ATOM 376 CZ ARG A 23 -15.928 3.526 -10.031 1.00 0.00 C ATOM 377 NH1 ARG A 23 -15.749 2.347 -10.585 1.00 0.00 N ATOM 378 NH2 ARG A 23 -17.107 3.846 -9.526 1.00 0.00 N ATOM 379 H ARG A 23 -10.557 4.273 -7.759 1.00 0.00 H ATOM 380 HA ARG A 23 -10.820 1.635 -8.783 1.00 0.00 H ATOM 381 1HB ARG A 23 -10.925 4.339 -10.152 1.00 0.00 H ATOM 382 2HB ARG A 23 -11.288 2.829 -10.974 1.00 0.00 H ATOM 383 1HG ARG A 23 -13.143 2.411 -9.423 1.00 0.00 H ATOM 384 2HG ARG A 23 -12.771 3.931 -8.574 1.00 0.00 H ATOM 385 1HD ARG A 23 -13.114 5.122 -10.722 1.00 0.00 H ATOM 386 2HD ARG A 23 -13.672 3.585 -11.421 1.00 0.00 H ATOM 387 HE ARG A 23 -15.088 5.304 -9.544 1.00 0.00 H ATOM 388 1HH1 ARG A 23 -14.848 2.103 -10.971 1.00 0.00 H ATOM 389 2HH1 ARG A 23 -16.511 1.686 -10.625 1.00 0.00 H ATOM 390 1HH2 ARG A 23 -17.245 4.752 -9.100 1.00 0.00 H ATOM 391 2HH2 ARG A 23 -17.869 3.185 -9.566 1.00 0.00 H ATOM 392 N TYR A 24 -8.171 3.298 -9.827 1.00 0.00 N ATOM 393 CA TYR A 24 -6.855 3.139 -10.435 1.00 0.00 C ATOM 394 C TYR A 24 -6.041 2.073 -9.713 1.00 0.00 C ATOM 395 O TYR A 24 -5.525 1.145 -10.335 1.00 0.00 O ATOM 396 CB TYR A 24 -6.101 4.471 -10.437 1.00 0.00 C ATOM 397 CG TYR A 24 -4.728 4.394 -11.066 1.00 0.00 C ATOM 398 CD1 TYR A 24 -4.571 4.640 -12.422 1.00 0.00 C ATOM 399 CD2 TYR A 24 -3.625 4.078 -10.287 1.00 0.00 C ATOM 400 CE1 TYR A 24 -3.317 4.570 -12.997 1.00 0.00 C ATOM 401 CE2 TYR A 24 -2.371 4.007 -10.861 1.00 0.00 C ATOM 402 CZ TYR A 24 -2.215 4.252 -12.210 1.00 0.00 C ATOM 403 OH TYR A 24 -0.965 4.182 -12.782 1.00 0.00 O ATOM 404 H TYR A 24 -8.429 4.195 -9.441 1.00 0.00 H ATOM 405 HA TYR A 24 -6.988 2.834 -11.473 1.00 0.00 H ATOM 406 1HB TYR A 24 -6.683 5.217 -10.980 1.00 0.00 H ATOM 407 2HB TYR A 24 -5.987 4.826 -9.414 1.00 0.00 H ATOM 408 HD1 TYR A 24 -5.438 4.889 -13.035 1.00 0.00 H ATOM 409 HD2 TYR A 24 -3.748 3.883 -9.221 1.00 0.00 H ATOM 410 HE1 TYR A 24 -3.193 4.763 -14.062 1.00 0.00 H ATOM 411 HE2 TYR A 24 -1.504 3.758 -10.249 1.00 0.00 H ATOM 412 HH TYR A 24 -0.318 3.962 -12.108 1.00 0.00 H ATOM 413 N LEU A 25 -5.928 2.212 -8.396 1.00 0.00 N ATOM 414 CA LEU A 25 -5.149 1.279 -7.591 1.00 0.00 C ATOM 415 C LEU A 25 -5.769 -0.112 -7.604 1.00 0.00 C ATOM 416 O LEU A 25 -5.062 -1.118 -7.543 1.00 0.00 O ATOM 417 CB LEU A 25 -5.044 1.785 -6.147 1.00 0.00 C ATOM 418 CG LEU A 25 -4.169 3.029 -5.940 1.00 0.00 C ATOM 419 CD1 LEU A 25 -4.300 3.507 -4.500 1.00 0.00 C ATOM 420 CD2 LEU A 25 -2.724 2.695 -6.276 1.00 0.00 C ATOM 421 H LEU A 25 -6.395 2.984 -7.941 1.00 0.00 H ATOM 422 HA LEU A 25 -4.143 1.218 -8.009 1.00 0.00 H ATOM 423 1HB LEU A 25 -6.044 2.021 -5.788 1.00 0.00 H ATOM 424 2HB LEU A 25 -4.636 0.987 -5.527 1.00 0.00 H ATOM 425 HG LEU A 25 -4.517 3.831 -6.591 1.00 0.00 H ATOM 426 1HD1 LEU A 25 -3.679 4.391 -4.353 1.00 0.00 H ATOM 427 2HD1 LEU A 25 -5.340 3.758 -4.293 1.00 0.00 H ATOM 428 3HD1 LEU A 25 -3.974 2.718 -3.823 1.00 0.00 H ATOM 429 1HD2 LEU A 25 -2.102 3.579 -6.129 1.00 0.00 H ATOM 430 2HD2 LEU A 25 -2.374 1.893 -5.624 1.00 0.00 H ATOM 431 3HD2 LEU A 25 -2.657 2.372 -7.315 1.00 0.00 H ATOM 432 N LYS A 26 -7.094 -0.162 -7.685 1.00 0.00 N ATOM 433 CA LYS A 26 -7.806 -1.427 -7.823 1.00 0.00 C ATOM 434 C LYS A 26 -7.398 -2.153 -9.099 1.00 0.00 C ATOM 435 O LYS A 26 -7.229 -3.372 -9.105 1.00 0.00 O ATOM 436 CB LYS A 26 -9.318 -1.196 -7.810 1.00 0.00 C ATOM 437 CG LYS A 26 -10.150 -2.472 -7.826 1.00 0.00 C ATOM 438 CD LYS A 26 -11.631 -2.167 -7.660 1.00 0.00 C ATOM 439 CE LYS A 26 -12.460 -3.443 -7.638 1.00 0.00 C ATOM 440 NZ LYS A 26 -13.906 -3.164 -7.427 1.00 0.00 N ATOM 441 H LYS A 26 -7.623 0.698 -7.649 1.00 0.00 H ATOM 442 HA LYS A 26 -7.559 -2.058 -6.968 1.00 0.00 H ATOM 443 1HB LYS A 26 -9.591 -0.629 -6.920 1.00 0.00 H ATOM 444 2HB LYS A 26 -9.602 -0.600 -8.678 1.00 0.00 H ATOM 445 1HG LYS A 26 -9.998 -2.994 -8.771 1.00 0.00 H ATOM 446 2HG LYS A 26 -9.829 -3.125 -7.015 1.00 0.00 H ATOM 447 1HD LYS A 26 -11.789 -1.625 -6.727 1.00 0.00 H ATOM 448 2HD LYS A 26 -11.968 -1.541 -8.486 1.00 0.00 H ATOM 449 1HE LYS A 26 -12.338 -3.972 -8.582 1.00 0.00 H ATOM 450 2HE LYS A 26 -12.108 -4.092 -6.835 1.00 0.00 H ATOM 451 1HZ LYS A 26 -14.420 -4.034 -7.418 1.00 0.00 H ATOM 452 2HZ LYS A 26 -14.033 -2.689 -6.544 1.00 0.00 H ATOM 453 3HZ LYS A 26 -14.249 -2.579 -8.176 1.00 0.00 H ATOM 454 N LYS A 27 -7.240 -1.395 -10.179 1.00 0.00 N ATOM 455 CA LYS A 27 -6.750 -1.946 -11.436 1.00 0.00 C ATOM 456 C LYS A 27 -5.291 -2.370 -11.320 1.00 0.00 C ATOM 457 O LYS A 27 -4.865 -3.341 -11.946 1.00 0.00 O ATOM 458 CB LYS A 27 -6.913 -0.930 -12.567 1.00 0.00 C ATOM 459 CG LYS A 27 -8.356 -0.682 -12.987 1.00 0.00 C ATOM 460 CD LYS A 27 -8.441 0.372 -14.080 1.00 0.00 C ATOM 461 CE LYS A 27 -9.883 0.630 -14.491 1.00 0.00 C ATOM 462 NZ LYS A 27 -9.984 1.680 -15.541 1.00 0.00 N ATOM 463 H LYS A 27 -7.466 -0.412 -10.128 1.00 0.00 H ATOM 464 HA LYS A 27 -7.349 -2.822 -11.688 1.00 0.00 H ATOM 465 1HB LYS A 27 -6.485 0.025 -12.263 1.00 0.00 H ATOM 466 2HB LYS A 27 -6.364 -1.270 -13.445 1.00 0.00 H ATOM 467 1HG LYS A 27 -8.793 -1.612 -13.355 1.00 0.00 H ATOM 468 2HG LYS A 27 -8.933 -0.348 -12.125 1.00 0.00 H ATOM 469 1HD LYS A 27 -8.002 1.305 -13.721 1.00 0.00 H ATOM 470 2HD LYS A 27 -7.879 0.039 -14.952 1.00 0.00 H ATOM 471 1HE LYS A 27 -10.322 -0.291 -14.873 1.00 0.00 H ATOM 472 2HE LYS A 27 -10.459 0.947 -13.622 1.00 0.00 H ATOM 473 1HZ LYS A 27 -10.954 1.821 -15.785 1.00 0.00 H ATOM 474 2HZ LYS A 27 -9.596 2.545 -15.191 1.00 0.00 H ATOM 475 3HZ LYS A 27 -9.470 1.388 -16.360 1.00 0.00 H ATOM 476 N GLN A 28 -4.529 -1.636 -10.516 1.00 0.00 N ATOM 477 CA GLN A 28 -3.133 -1.973 -10.266 1.00 0.00 C ATOM 478 C GLN A 28 -3.012 -3.271 -9.478 1.00 0.00 C ATOM 479 O GLN A 28 -2.039 -4.010 -9.628 1.00 0.00 O ATOM 480 CB GLN A 28 -2.435 -0.837 -9.513 1.00 0.00 C ATOM 481 CG GLN A 28 -2.253 0.431 -10.328 1.00 0.00 C ATOM 482 CD GLN A 28 -1.368 0.217 -11.542 1.00 0.00 C ATOM 483 OE1 GLN A 28 -0.276 -0.347 -11.439 1.00 0.00 O ATOM 484 NE2 GLN A 28 -1.835 0.668 -12.700 1.00 0.00 N ATOM 485 H GLN A 28 -4.928 -0.824 -10.067 1.00 0.00 H ATOM 486 HA GLN A 28 -2.634 -2.113 -11.224 1.00 0.00 H ATOM 487 1HB GLN A 28 -3.009 -0.585 -8.621 1.00 0.00 H ATOM 488 2HB GLN A 28 -1.450 -1.170 -9.184 1.00 0.00 H ATOM 489 1HG GLN A 28 -3.229 0.773 -10.673 1.00 0.00 H ATOM 490 2HG GLN A 28 -1.792 1.193 -9.699 1.00 0.00 H ATOM 491 1HE2 GLN A 28 -1.296 0.555 -13.536 1.00 0.00 H ATOM 492 2HE2 GLN A 28 -2.726 1.120 -12.739 1.00 0.00 H ATOM 493 N GLY A 29 -4.005 -3.543 -8.639 1.00 0.00 N ATOM 494 CA GLY A 29 -4.070 -4.805 -7.911 1.00 0.00 C ATOM 495 C GLY A 29 -4.097 -4.572 -6.406 1.00 0.00 C ATOM 496 O GLY A 29 -3.538 -5.353 -5.637 1.00 0.00 O ATOM 497 H GLY A 29 -4.735 -2.858 -8.502 1.00 0.00 H ATOM 498 1HA GLY A 29 -4.961 -5.354 -8.214 1.00 0.00 H ATOM 499 2HA GLY A 29 -3.209 -5.419 -8.172 1.00 0.00 H ATOM 500 N TYR A 30 -4.751 -3.492 -5.991 1.00 0.00 N ATOM 501 CA TYR A 30 -4.934 -3.204 -4.574 1.00 0.00 C ATOM 502 C TYR A 30 -6.402 -3.302 -4.177 1.00 0.00 C ATOM 503 O TYR A 30 -7.291 -3.192 -5.021 1.00 0.00 O ATOM 504 CB TYR A 30 -4.384 -1.818 -4.233 1.00 0.00 C ATOM 505 CG TYR A 30 -2.887 -1.694 -4.411 1.00 0.00 C ATOM 506 CD1 TYR A 30 -2.371 -1.086 -5.546 1.00 0.00 C ATOM 507 CD2 TYR A 30 -2.030 -2.189 -3.440 1.00 0.00 C ATOM 508 CE1 TYR A 30 -1.004 -0.974 -5.709 1.00 0.00 C ATOM 509 CE2 TYR A 30 -0.663 -2.077 -3.602 1.00 0.00 C ATOM 510 CZ TYR A 30 -0.150 -1.472 -4.731 1.00 0.00 C ATOM 511 OH TYR A 30 1.212 -1.360 -4.893 1.00 0.00 O ATOM 512 H TYR A 30 -5.131 -2.853 -6.676 1.00 0.00 H ATOM 513 HA TYR A 30 -4.373 -3.939 -3.997 1.00 0.00 H ATOM 514 1HB TYR A 30 -4.865 -1.070 -4.865 1.00 0.00 H ATOM 515 2HB TYR A 30 -4.625 -1.575 -3.199 1.00 0.00 H ATOM 516 HD1 TYR A 30 -3.045 -0.697 -6.310 1.00 0.00 H ATOM 517 HD2 TYR A 30 -2.435 -2.668 -2.548 1.00 0.00 H ATOM 518 HE1 TYR A 30 -0.599 -0.496 -6.600 1.00 0.00 H ATOM 519 HE2 TYR A 30 0.011 -2.467 -2.839 1.00 0.00 H ATOM 520 HH TYR A 30 1.411 -1.193 -5.818 1.00 0.00 H ATOM 521 N SER A 31 -6.649 -3.510 -2.888 1.00 0.00 N ATOM 522 CA SER A 31 -8.009 -3.538 -2.363 1.00 0.00 C ATOM 523 C SER A 31 -8.580 -2.131 -2.239 1.00 0.00 C ATOM 524 O SER A 31 -7.836 -1.154 -2.153 1.00 0.00 O ATOM 525 CB SER A 31 -8.032 -4.225 -1.012 1.00 0.00 C ATOM 526 OG SER A 31 -7.373 -3.454 -0.045 1.00 0.00 O ATOM 527 H SER A 31 -5.874 -3.652 -2.256 1.00 0.00 H ATOM 528 HA SER A 31 -8.635 -4.102 -3.056 1.00 0.00 H ATOM 529 1HB SER A 31 -9.065 -4.390 -0.706 1.00 0.00 H ATOM 530 2HB SER A 31 -7.554 -5.200 -1.091 1.00 0.00 H ATOM 531 HG SER A 31 -6.489 -3.822 0.029 1.00 0.00 H ATOM 532 N GLU A 32 -9.905 -2.035 -2.229 1.00 0.00 N ATOM 533 CA GLU A 32 -10.579 -0.747 -2.120 1.00 0.00 C ATOM 534 C GLU A 32 -10.310 -0.097 -0.769 1.00 0.00 C ATOM 535 O GLU A 32 -10.143 1.119 -0.676 1.00 0.00 O ATOM 536 CB GLU A 32 -12.087 -0.915 -2.325 1.00 0.00 C ATOM 537 CG GLU A 32 -12.489 -1.307 -3.739 1.00 0.00 C ATOM 538 CD GLU A 32 -13.968 -1.536 -3.884 1.00 0.00 C ATOM 539 OE1 GLU A 32 -14.671 -1.388 -2.914 1.00 0.00 O ATOM 540 OE2 GLU A 32 -14.395 -1.860 -4.967 1.00 0.00 O ATOM 541 H GLU A 32 -10.460 -2.876 -2.299 1.00 0.00 H ATOM 542 HA GLU A 32 -10.201 -0.091 -2.905 1.00 0.00 H ATOM 543 1HB GLU A 32 -12.463 -1.680 -1.646 1.00 0.00 H ATOM 544 2HB GLU A 32 -12.593 0.019 -2.079 1.00 0.00 H ATOM 545 1HG GLU A 32 -12.187 -0.515 -4.424 1.00 0.00 H ATOM 546 2HG GLU A 32 -11.956 -2.214 -4.019 1.00 0.00 H ATOM 547 N GLU A 33 -10.269 -0.915 0.278 1.00 0.00 N ATOM 548 CA GLU A 33 -9.945 -0.433 1.615 1.00 0.00 C ATOM 549 C GLU A 33 -8.526 0.117 1.673 1.00 0.00 C ATOM 550 O GLU A 33 -8.300 1.231 2.146 1.00 0.00 O ATOM 551 CB GLU A 33 -10.110 -1.556 2.642 1.00 0.00 C ATOM 552 CG GLU A 33 -9.780 -1.153 4.072 1.00 0.00 C ATOM 553 CD GLU A 33 -9.936 -2.285 5.049 1.00 0.00 C ATOM 554 OE1 GLU A 33 -10.489 -3.292 4.679 1.00 0.00 O ATOM 555 OE2 GLU A 33 -9.502 -2.142 6.168 1.00 0.00 O ATOM 556 H GLU A 33 -10.468 -1.896 0.144 1.00 0.00 H ATOM 557 HA GLU A 33 -10.641 0.367 1.872 1.00 0.00 H ATOM 558 1HB GLU A 33 -11.139 -1.916 2.625 1.00 0.00 H ATOM 559 2HB GLU A 33 -9.465 -2.392 2.372 1.00 0.00 H ATOM 560 1HG GLU A 33 -8.751 -0.796 4.110 1.00 0.00 H ATOM 561 2HG GLU A 33 -10.432 -0.332 4.367 1.00 0.00 H ATOM 562 N GLU A 34 -7.571 -0.670 1.190 1.00 0.00 N ATOM 563 CA GLU A 34 -6.171 -0.265 1.190 1.00 0.00 C ATOM 564 C GLU A 34 -5.972 1.034 0.420 1.00 0.00 C ATOM 565 O GLU A 34 -5.262 1.932 0.872 1.00 0.00 O ATOM 566 CB GLU A 34 -5.297 -1.367 0.585 1.00 0.00 C ATOM 567 CG GLU A 34 -3.806 -1.060 0.590 1.00 0.00 C ATOM 568 CD GLU A 34 -2.971 -2.206 0.089 1.00 0.00 C ATOM 569 OE1 GLU A 34 -3.532 -3.218 -0.255 1.00 0.00 O ATOM 570 OE2 GLU A 34 -1.771 -2.068 0.052 1.00 0.00 O ATOM 571 H GLU A 34 -7.822 -1.573 0.812 1.00 0.00 H ATOM 572 HA GLU A 34 -5.855 -0.112 2.223 1.00 0.00 H ATOM 573 1HB GLU A 34 -5.449 -2.295 1.135 1.00 0.00 H ATOM 574 2HB GLU A 34 -5.598 -1.544 -0.447 1.00 0.00 H ATOM 575 1HG GLU A 34 -3.623 -0.190 -0.040 1.00 0.00 H ATOM 576 2HG GLU A 34 -3.500 -0.810 1.605 1.00 0.00 H ATOM 577 N ALA A 35 -6.605 1.128 -0.744 1.00 0.00 N ATOM 578 CA ALA A 35 -6.526 2.331 -1.564 1.00 0.00 C ATOM 579 C ALA A 35 -7.069 3.543 -0.817 1.00 0.00 C ATOM 580 O ALA A 35 -6.461 4.614 -0.827 1.00 0.00 O ATOM 581 CB ALA A 35 -7.282 2.133 -2.869 1.00 0.00 C ATOM 582 H ALA A 35 -7.154 0.346 -1.070 1.00 0.00 H ATOM 583 HA ALA A 35 -5.480 2.513 -1.812 1.00 0.00 H ATOM 584 1HB ALA A 35 -7.214 3.040 -3.470 1.00 0.00 H ATOM 585 2HB ALA A 35 -6.846 1.300 -3.420 1.00 0.00 H ATOM 586 3HB ALA A 35 -8.328 1.918 -2.655 1.00 0.00 H ATOM 587 N GLU A 36 -8.215 3.367 -0.168 1.00 0.00 N ATOM 588 CA GLU A 36 -8.806 4.425 0.642 1.00 0.00 C ATOM 589 C GLU A 36 -7.858 4.866 1.750 1.00 0.00 C ATOM 590 O GLU A 36 -7.639 6.060 1.955 1.00 0.00 O ATOM 591 CB GLU A 36 -10.131 3.956 1.248 1.00 0.00 C ATOM 592 CG GLU A 36 -10.816 4.985 2.137 1.00 0.00 C ATOM 593 CD GLU A 36 -12.086 4.471 2.755 1.00 0.00 C ATOM 594 OE1 GLU A 36 -12.600 3.487 2.279 1.00 0.00 O ATOM 595 OE2 GLU A 36 -12.543 5.063 3.704 1.00 0.00 O ATOM 596 H GLU A 36 -8.689 2.478 -0.238 1.00 0.00 H ATOM 597 HA GLU A 36 -9.013 5.281 -0.002 1.00 0.00 H ATOM 598 1HB GLU A 36 -10.823 3.691 0.449 1.00 0.00 H ATOM 599 2HB GLU A 36 -9.961 3.059 1.845 1.00 0.00 H ATOM 600 1HG GLU A 36 -10.130 5.276 2.932 1.00 0.00 H ATOM 601 2HG GLU A 36 -11.038 5.871 1.543 1.00 0.00 H ATOM 602 N ARG A 37 -7.297 3.895 2.463 1.00 0.00 N ATOM 603 CA ARG A 37 -6.374 4.182 3.554 1.00 0.00 C ATOM 604 C ARG A 37 -5.164 4.964 3.061 1.00 0.00 C ATOM 605 O ARG A 37 -4.715 5.907 3.713 1.00 0.00 O ATOM 606 CB ARG A 37 -5.906 2.892 4.212 1.00 0.00 C ATOM 607 CG ARG A 37 -6.959 2.181 5.048 1.00 0.00 C ATOM 608 CD ARG A 37 -6.420 0.951 5.681 1.00 0.00 C ATOM 609 NE ARG A 37 -7.443 0.229 6.420 1.00 0.00 N ATOM 610 CZ ARG A 37 -7.823 0.516 7.681 1.00 0.00 C ATOM 611 NH1 ARG A 37 -7.257 1.511 8.327 1.00 0.00 N ATOM 612 NH2 ARG A 37 -8.764 -0.203 8.267 1.00 0.00 N ATOM 613 H ARG A 37 -7.515 2.934 2.243 1.00 0.00 H ATOM 614 HA ARG A 37 -6.896 4.780 4.302 1.00 0.00 H ATOM 615 1HB ARG A 37 -5.568 2.195 3.447 1.00 0.00 H ATOM 616 2HB ARG A 37 -5.056 3.102 4.862 1.00 0.00 H ATOM 617 1HG ARG A 37 -7.309 2.848 5.836 1.00 0.00 H ATOM 618 2HG ARG A 37 -7.799 1.900 4.412 1.00 0.00 H ATOM 619 1HD ARG A 37 -6.024 0.289 4.912 1.00 0.00 H ATOM 620 2HD ARG A 37 -5.623 1.218 6.375 1.00 0.00 H ATOM 621 HE ARG A 37 -7.901 -0.544 5.956 1.00 0.00 H ATOM 622 1HH1 ARG A 37 -6.537 2.060 7.879 1.00 0.00 H ATOM 623 2HH1 ARG A 37 -7.542 1.726 9.272 1.00 0.00 H ATOM 624 1HH2 ARG A 37 -9.200 -0.968 7.770 1.00 0.00 H ATOM 625 2HH2 ARG A 37 -9.049 0.013 9.211 1.00 0.00 H ATOM 626 N ALA A 38 -4.639 4.568 1.907 1.00 0.00 N ATOM 627 CA ALA A 38 -3.518 5.270 1.293 1.00 0.00 C ATOM 628 C ALA A 38 -3.862 6.731 1.029 1.00 0.00 C ATOM 629 O ALA A 38 -3.059 7.625 1.297 1.00 0.00 O ATOM 630 CB ALA A 38 -3.106 4.582 0.000 1.00 0.00 C ATOM 631 H ALA A 38 -5.026 3.759 1.443 1.00 0.00 H ATOM 632 HA ALA A 38 -2.668 5.228 1.975 1.00 0.00 H ATOM 633 1HB ALA A 38 -2.269 5.118 -0.447 1.00 0.00 H ATOM 634 2HB ALA A 38 -2.808 3.555 0.213 1.00 0.00 H ATOM 635 3HB ALA A 38 -3.946 4.579 -0.694 1.00 0.00 H ATOM 636 N ILE A 39 -5.059 6.966 0.503 1.00 0.00 N ATOM 637 CA ILE A 39 -5.530 8.322 0.248 1.00 0.00 C ATOM 638 C ILE A 39 -5.588 9.136 1.534 1.00 0.00 C ATOM 639 O ILE A 39 -5.167 10.292 1.568 1.00 0.00 O ATOM 640 CB ILE A 39 -6.921 8.305 -0.413 1.00 0.00 C ATOM 641 CG1 ILE A 39 -6.835 7.715 -1.823 1.00 0.00 C ATOM 642 CG2 ILE A 39 -7.507 9.707 -0.454 1.00 0.00 C ATOM 643 CD1 ILE A 39 -8.178 7.358 -2.418 1.00 0.00 C ATOM 644 H ILE A 39 -5.657 6.186 0.273 1.00 0.00 H ATOM 645 HA ILE A 39 -4.837 8.806 -0.441 1.00 0.00 H ATOM 646 HB ILE A 39 -7.587 7.659 0.159 1.00 0.00 H ATOM 647 1HG1 ILE A 39 -6.345 8.427 -2.486 1.00 0.00 H ATOM 648 2HG1 ILE A 39 -6.222 6.814 -1.803 1.00 0.00 H ATOM 649 1HG2 ILE A 39 -8.490 9.677 -0.924 1.00 0.00 H ATOM 650 2HG2 ILE A 39 -7.603 10.092 0.561 1.00 0.00 H ATOM 651 3HG2 ILE A 39 -6.850 10.360 -1.028 1.00 0.00 H ATOM 652 1HD1 ILE A 39 -8.035 6.946 -3.418 1.00 0.00 H ATOM 653 2HD1 ILE A 39 -8.671 6.618 -1.788 1.00 0.00 H ATOM 654 3HD1 ILE A 39 -8.797 8.252 -2.481 1.00 0.00 H ATOM 655 N ARG A 40 -6.112 8.525 2.592 1.00 0.00 N ATOM 656 CA ARG A 40 -6.242 9.198 3.879 1.00 0.00 C ATOM 657 C ARG A 40 -4.876 9.521 4.471 1.00 0.00 C ATOM 658 O ARG A 40 -4.697 10.556 5.114 1.00 0.00 O ATOM 659 CB ARG A 40 -7.024 8.334 4.858 1.00 0.00 C ATOM 660 CG ARG A 40 -8.501 8.178 4.534 1.00 0.00 C ATOM 661 CD ARG A 40 -9.192 7.314 5.525 1.00 0.00 C ATOM 662 NE ARG A 40 -10.584 7.088 5.170 1.00 0.00 N ATOM 663 CZ ARG A 40 -11.594 7.932 5.456 1.00 0.00 C ATOM 664 NH1 ARG A 40 -11.351 9.052 6.101 1.00 0.00 N ATOM 665 NH2 ARG A 40 -12.828 7.635 5.089 1.00 0.00 N ATOM 666 H ARG A 40 -6.429 7.570 2.502 1.00 0.00 H ATOM 667 HA ARG A 40 -6.788 10.130 3.729 1.00 0.00 H ATOM 668 1HB ARG A 40 -6.586 7.338 4.893 1.00 0.00 H ATOM 669 2HB ARG A 40 -6.949 8.760 5.858 1.00 0.00 H ATOM 670 1HG ARG A 40 -8.980 9.157 4.538 1.00 0.00 H ATOM 671 2HG ARG A 40 -8.611 7.724 3.548 1.00 0.00 H ATOM 672 1HD ARG A 40 -8.692 6.348 5.577 1.00 0.00 H ATOM 673 2HD ARG A 40 -9.164 7.790 6.504 1.00 0.00 H ATOM 674 HE ARG A 40 -10.810 6.236 4.672 1.00 0.00 H ATOM 675 1HH1 ARG A 40 -10.408 9.279 6.382 1.00 0.00 H ATOM 676 2HH1 ARG A 40 -12.108 9.684 6.316 1.00 0.00 H ATOM 677 1HH2 ARG A 40 -13.014 6.774 4.593 1.00 0.00 H ATOM 678 2HH2 ARG A 40 -13.585 8.267 5.304 1.00 0.00 H ATOM 679 N GLU A 41 -3.915 8.631 4.251 1.00 0.00 N ATOM 680 CA GLU A 41 -2.557 8.831 4.743 1.00 0.00 C ATOM 681 C GLU A 41 -1.870 9.978 4.013 1.00 0.00 C ATOM 682 O GLU A 41 -1.075 10.712 4.599 1.00 0.00 O ATOM 683 CB GLU A 41 -1.738 7.548 4.584 1.00 0.00 C ATOM 684 CG GLU A 41 -2.127 6.431 5.542 1.00 0.00 C ATOM 685 CD GLU A 41 -1.360 5.160 5.301 1.00 0.00 C ATOM 686 OE1 GLU A 41 -0.691 5.074 4.300 1.00 0.00 O ATOM 687 OE2 GLU A 41 -1.444 4.275 6.119 1.00 0.00 O ATOM 688 H GLU A 41 -4.130 7.793 3.729 1.00 0.00 H ATOM 689 HA GLU A 41 -2.606 9.072 5.805 1.00 0.00 H ATOM 690 1HB GLU A 41 -1.846 7.171 3.567 1.00 0.00 H ATOM 691 2HB GLU A 41 -0.682 7.770 4.740 1.00 0.00 H ATOM 692 1HG GLU A 41 -1.946 6.763 6.564 1.00 0.00 H ATOM 693 2HG GLU A 41 -3.193 6.232 5.437 1.00 0.00 H ATOM 694 N VAL A 42 -2.181 10.126 2.730 1.00 0.00 N ATOM 695 CA VAL A 42 -1.730 11.280 1.961 1.00 0.00 C ATOM 696 C VAL A 42 -2.319 12.573 2.511 1.00 0.00 C ATOM 697 O VAL A 42 -1.605 13.556 2.709 1.00 0.00 O ATOM 698 CB VAL A 42 -2.131 11.126 0.481 1.00 0.00 C ATOM 699 CG1 VAL A 42 -1.887 12.424 -0.274 1.00 0.00 C ATOM 700 CG2 VAL A 42 -1.354 9.980 -0.149 1.00 0.00 C ATOM 701 H VAL A 42 -2.745 9.422 2.275 1.00 0.00 H ATOM 702 HA VAL A 42 -0.643 11.336 2.025 1.00 0.00 H ATOM 703 HB VAL A 42 -3.199 10.917 0.424 1.00 0.00 H ATOM 704 1HG1 VAL A 42 -2.176 12.297 -1.318 1.00 0.00 H ATOM 705 2HG1 VAL A 42 -2.480 13.221 0.171 1.00 0.00 H ATOM 706 3HG1 VAL A 42 -0.829 12.683 -0.220 1.00 0.00 H ATOM 707 1HG2 VAL A 42 -1.643 9.877 -1.194 1.00 0.00 H ATOM 708 2HG2 VAL A 42 -0.285 10.187 -0.086 1.00 0.00 H ATOM 709 3HG2 VAL A 42 -1.576 9.054 0.382 1.00 0.00 H ATOM 710 N GLY A 43 -3.625 12.565 2.756 1.00 0.00 N ATOM 711 CA GLY A 43 -4.302 13.719 3.335 1.00 0.00 C ATOM 712 C GLY A 43 -4.927 14.591 2.253 1.00 0.00 C ATOM 713 O GLY A 43 -4.426 14.657 1.130 1.00 0.00 O ATOM 714 OXT GLY A 43 -5.918 15.224 2.490 1.00 0.00 O ATOM 715 H GLY A 43 -4.162 11.738 2.537 1.00 0.00 H ATOM 716 1HA GLY A 43 -5.075 13.380 4.024 1.00 0.00 H ATOM 717 2HA GLY A 43 -3.591 14.306 3.914 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE nods_bigger.blueprint.44_try33_pass_20150521045519_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 rama omega fa_dun p_aa_pp ref total weights 0.8 0.44 0.75 0.004 0.7 1 1.17 1.17 1.17 1.1 1 0.2 0.5 0.56 0.32 1 NA pose -169.164 16.2628 96.9448 0.35024 -27.6492 0.03125 -23.7995 -1.85138 -4.11409 -7.42038 0 -5.46884 2.63119 45.3291 -6.3383 -10.8953 -95.1515 SER:NtermProteinFull_1 -3.113 0.1995 3.42579 0.0019 -1.34089 0 0 0 -0.72838 -0.41897 0 0 0.02723 0.18748 0 0.17658 -1.58276 ASP_2 -2.87768 0.25991 2.32476 0.0033 -0.98172 0 0 0 0 -0.26335 0 -0.15977 0.00377 1.38326 0.01408 -1.28682 -1.58026 GLU_3 -3.53316 0.31213 2.68304 0.00514 -0.97773 0 0 0 0 -0.30167 0 -0.23166 0.14045 2.33351 -0.17416 -1.55374 -1.29784 ALA_4 -4.32657 0.2543 2.141 0.00074 -0.11849 0 0 0 -0.44027 0 0 -0.19314 0.16955 0 -0.18968 0.59294 -2.10961 ARG_5 -5.90443 0.63687 4.22158 0.01984 -2.06226 0 0 0 0 -0.80333 0 -0.14656 0.08272 2.18087 -0.08605 -0.14916 -2.0099 LYS_6 -4.03572 0.27801 2.85718 0.00321 -1.0967 0 0 0 0 -0.30167 0 -0.16428 0.01484 0.97377 -0.04658 -0.28737 -1.80533 ILE_7 -4.81418 0.6312 1.88668 0.02073 -0.28575 0 0 0 0 0 0 -0.01974 4e-05 0.10185 -0.10278 0.8318 -1.75015 ALA_8 -4.11978 0.28957 1.5734 0.00073 -0.28509 0 0 0 0 0 0 -0.10559 0.02982 0 -0.15491 0.59294 -2.17891 GLU_9 -4.33616 0.34673 2.75336 0.00703 -0.97768 0 0 0 0 -0.32724 0 -0.12185 0.0448 2.13025 -0.1083 -1.55374 -2.14279 GLU_10 -4.43433 0.33758 3.02938 0.00994 -1.11984 0 0 0 0 -0.33476 0 -0.15121 0.0153 2.62143 -0.10606 -1.55374 -1.68633 LEU_11 -6.28556 0.81364 1.9689 0.00758 -0.4141 0 0 0 0 0 0 -0.10621 0.10958 0.30798 -0.12233 0.60233 -3.11819 LYS_12 -3.64544 0.45937 2.63357 0.00499 -1.34446 0 0 0 -0.31828 0 0 -0.17941 0.06132 1.18534 -0.0488 -0.28737 -1.47916 ARG_13 -3.19538 0.45202 2.21864 0.00965 -0.91827 0 0 0 0 -0.32724 0 -0.24247 0.003 1.55277 -0.08477 -0.14916 -0.6812 ARG_14 -3.86765 0.4603 2.30788 0.00849 -0.70236 0 0 0 0 -0.33476 0 -0.19227 0.28074 1.29064 -0.01303 -0.14916 -0.91117 GLY_15 -1.57042 0.32 0.95879 2e-05 0.033 0 0 0 0 0 0 -0.21019 0.24954 0 -0.7795 0.14053 -0.85823 TYR_16 -4.67821 0.36602 1.76251 0.02317 -0.04604 0 0 0 0 0 0 -0.15847 0.002 1.41954 -0.13254 0.1317 -1.31031 SER_17 -3.34012 0.51463 2.5308 0.00154 -0.59207 0.00152 0 0 -0.67009 0 0 -0.27727 0.03773 0.18333 -0.21524 0.17658 -1.64865 PRO_18 -2.86983 0.44788 1.1471 0.00094 -0.15404 0.02973 0 0 0 0 0 0.03796 0.06417 0.06259 -0.31275 -0.21929 -1.76554 GLU_19 -3.50904 0.4652 2.44342 0.00728 -0.90877 0 0 0 0 -0.3325 0 -0.11604 0.00123 2.13485 -0.10887 -1.55374 -1.477 GLN_20 -4.68415 0.2143 2.836 0.00316 -0.42537 0 0 0 -0.67009 0 0 -0.15993 0.01859 2.09136 -0.13741 -1.17797 -2.09151 ILE_21 -6.32237 0.68408 1.87646 0.02015 -0.33202 0 0 0 0 0 0 -0.02896 0.03224 0.07092 -0.10237 0.8318 -3.27007 ILE_22 -5.00906 0.49008 2.03711 0.02106 -0.35103 0 0 0 0 0 0 -0.02405 0.01222 0.09557 -0.05961 0.8318 -1.95591 ARG_23 -4.22943 0.31106 2.67916 0.00957 -0.99442 0 0 0 0 -0.3325 0 -0.18198 0.02927 1.68547 -0.0876 -0.14916 -1.26055 TYR_24 -5.32668 0.5612 2.28867 0.02806 -0.29793 0 0 0 0 0 0 0.07004 0.01153 1.4013 -0.14964 0.1317 -1.28175 LEU_25 -6.33174 0.43431 1.89806 0.00712 -0.34104 0 0 0 0 0 0 -0.14061 0.14586 0.13714 -0.11671 0.60233 -3.70527 LYS_26 -3.78926 0.41224 2.52877 0.00471 -0.97993 0 0 0 0 -0.28635 0 -0.20137 0.12126 1.03387 -0.04957 -0.28737 -1.49301 LYS_27 -2.42337 0.28452 1.402 0.00311 -0.0061 0 0 0 0 0 0 -0.26534 0.04601 0.71997 -0.0297 -0.28737 -0.55627 GLN_28 -3.33127 0.28082 1.62537 0.005 -0.02942 0 0 0 0 0 0 -0.21978 0.14349 2.04212 -0.10955 -1.17797 -0.77118 GLY_29 -1.63515 0.16226 0.92117 4e-05 0.02539 0 0 0 0 0 0 0.37265 0.09835 0 -1.10661 0.14053 -1.02137 TYR_30 -4.96639 0.31345 2.6846 0.02286 -0.1716 0 0 0 0 -0.41897 0 -0.11681 0.07967 1.42179 -0.18173 0.1317 -1.20144 SER_31 -2.36457 0.19559 1.89375 0.00149 -0.45506 0 0 0 -0.34029 0 0 -0.28218 0.00023 0.18175 -0.21527 0.17658 -1.20796 GLU_32 -2.62187 0.10752 1.74673 0.00459 -0.85645 0 0 0 0 -0.28635 0 -0.24958 0.06319 2.13501 -0.13472 -1.55374 -1.64568 GLU_33 -3.29129 0.32337 2.41328 0.00746 -0.88545 0 0 0 0 -0.41298 0 -0.10606 0.00021 2.22134 -0.10539 -1.55374 -1.38927 GLU_34 -4.17908 0.38587 3.33194 0.0067 -1.48294 0 0 0 -0.6284 0 0 -0.17014 0.01231 2.2185 -0.09506 -1.55374 -2.15405 ALA_35 -4.07554 0.43694 1.64036 0.00073 -0.21987 0 0 0 0 0 0 -0.11473 0.05219 0 -0.15429 0.59294 -1.84127 GLU_36 -4.56688 0.31853 2.93873 0.00764 -0.97101 0 0 0 0 -0.49238 0 -0.135 0.00014 2.31711 -0.1043 -1.55374 -2.24117 ARG_37 -4.54047 0.3732 2.9913 0.00953 -1.07869 0 0 0 0 -0.41298 0 -0.1625 0.04245 1.65559 -0.09144 -0.14916 -1.36317 ALA_38 -4.10386 0.41091 2.15642 0.00073 -0.22536 0 0 0 0 0 0 -0.12387 0.0265 0 -0.16398 0.59294 -1.42956 ILE_39 -4.92823 0.5767 1.74996 0.0198 -0.16812 0 0 0 0 0 0 -0.01879 0.00326 0.11517 -0.06168 0.8318 -1.88014 ARG_40 -3.45341 0.19409 2.26421 0.00959 -0.85497 0 0 0 0 -0.49238 0 -0.231 0.00573 1.55388 -0.09366 -0.14916 -1.24709 GLU_41 -3.54193 0.36849 2.75551 0.00448 -1.0644 0 0 0 0 -0.53997 0 -0.25707 0.31593 2.13895 -0.1596 -1.55374 -1.53336 VAL_42 -3.3926 0.40044 1.62238 0.01635 0.01517 0 0 0 0 0 0 0.01636 0.03273 0.0428 -0.05615 0.74484 -0.55769 GLY:CtermProteinFull_43 -1.59859 0.17797 1.79505 0.0001 -1.20534 0 0 0 -0.31828 0 0 0 0 0 0 0.14053 -1.00857 #END_POSE_ENERGIES_TABLE nods_bigger.blueprint.44_try33_pass_20150521045519_0001.pdb AlaCount 4 bb -0.0430454 buried_minus_exposed 3458.22 buried_np 5075.61 buried_over_exposed 3.13813 cavity_volume 29.066 contact_all 238 contact_core_SASA 238 contact_core_SCN 238 degree 10.3023 degree_core_SASA 10.3023 degree_core_SCN 10.3023 exposed_hydrophobics 1617.39 holes 1.89025 mismatch_probability 0.073117 one_core_each 1 pack 0.618459 percent_core_SASA 0.116252 percent_core_SCN 0.139502 res_count_core_SASA 5 res_count_core_SCN 6 ss_sc 0.736352 two_core_each 0.666667 unsat_hbond 0
HHH_rd2_0134.pdb
ATOM 1 N SER A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA SER A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C SER A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O SER A 1 1.276 2.381 -0.235 1.00 0.00 O ATOM 5 CB SER A 1 1.980 -0.754 -1.207 1.00 0.00 C ATOM 6 OG SER A 1 1.713 -0.054 -2.391 1.00 0.00 O ATOM 7 1H SER A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 8 2H SER A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 9 3H SER A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 10 HA SER A 1 1.804 -0.502 0.905 1.00 0.00 H ATOM 11 1HB SER A 1 3.054 -0.906 -1.105 1.00 0.00 H ATOM 12 2HB SER A 1 1.514 -1.738 -1.251 1.00 0.00 H ATOM 13 HG SER A 1 1.458 -0.715 -3.038 1.00 0.00 H ATOM 14 N LYS A 2 3.305 1.547 0.265 1.00 0.00 N ATOM 15 CA LYS A 2 3.961 2.849 0.274 1.00 0.00 C ATOM 16 C LYS A 2 4.037 3.438 -1.128 1.00 0.00 C ATOM 17 O LYS A 2 4.020 4.656 -1.302 1.00 0.00 O ATOM 18 CB LYS A 2 5.363 2.737 0.875 1.00 0.00 C ATOM 19 CG LYS A 2 5.387 2.499 2.379 1.00 0.00 C ATOM 20 CD LYS A 2 6.812 2.404 2.901 1.00 0.00 C ATOM 21 CE LYS A 2 6.838 2.186 4.407 1.00 0.00 C ATOM 22 NZ LYS A 2 8.226 2.049 4.926 1.00 0.00 N ATOM 23 H LYS A 2 3.849 0.720 0.465 1.00 0.00 H ATOM 24 HA LYS A 2 3.382 3.523 0.906 1.00 0.00 H ATOM 25 1HB LYS A 2 5.899 1.916 0.398 1.00 0.00 H ATOM 26 2HB LYS A 2 5.920 3.652 0.672 1.00 0.00 H ATOM 27 1HG LYS A 2 4.877 3.319 2.885 1.00 0.00 H ATOM 28 2HG LYS A 2 4.862 1.572 2.608 1.00 0.00 H ATOM 29 1HD LYS A 2 7.324 1.573 2.414 1.00 0.00 H ATOM 30 2HD LYS A 2 7.348 3.324 2.668 1.00 0.00 H ATOM 31 1HE LYS A 2 6.359 3.029 4.904 1.00 0.00 H ATOM 32 2HE LYS A 2 6.281 1.283 4.654 1.00 0.00 H ATOM 33 1HZ LYS A 2 8.199 1.906 5.926 1.00 0.00 H ATOM 34 2HZ LYS A 2 8.674 1.258 4.485 1.00 0.00 H ATOM 35 3HZ LYS A 2 8.747 2.889 4.720 1.00 0.00 H ATOM 36 N ASP A 3 4.121 2.565 -2.127 1.00 0.00 N ATOM 37 CA ASP A 3 4.092 2.991 -3.521 1.00 0.00 C ATOM 38 C ASP A 3 2.762 3.647 -3.869 1.00 0.00 C ATOM 39 O ASP A 3 2.722 4.660 -4.567 1.00 0.00 O ATOM 40 CB ASP A 3 4.340 1.801 -4.451 1.00 0.00 C ATOM 41 CG ASP A 3 5.779 1.305 -4.408 1.00 0.00 C ATOM 42 OD1 ASP A 3 6.616 2.013 -3.899 1.00 0.00 O ATOM 43 OD2 ASP A 3 6.028 0.223 -4.884 1.00 0.00 O ATOM 44 H ASP A 3 4.208 1.581 -1.915 1.00 0.00 H ATOM 45 HA ASP A 3 4.891 3.717 -3.678 1.00 0.00 H ATOM 46 1HB ASP A 3 3.679 0.979 -4.175 1.00 0.00 H ATOM 47 2HB ASP A 3 4.099 2.084 -5.476 1.00 0.00 H ATOM 48 N GLU A 4 1.674 3.063 -3.378 1.00 0.00 N ATOM 49 CA GLU A 4 0.346 3.637 -3.563 1.00 0.00 C ATOM 50 C GLU A 4 0.187 4.924 -2.764 1.00 0.00 C ATOM 51 O GLU A 4 -0.508 5.847 -3.189 1.00 0.00 O ATOM 52 CB GLU A 4 -0.731 2.632 -3.150 1.00 0.00 C ATOM 53 CG GLU A 4 -0.848 1.422 -4.066 1.00 0.00 C ATOM 54 CD GLU A 4 -1.224 1.789 -5.475 1.00 0.00 C ATOM 55 OE1 GLU A 4 -2.114 2.588 -5.642 1.00 0.00 O ATOM 56 OE2 GLU A 4 -0.622 1.270 -6.384 1.00 0.00 O ATOM 57 H GLU A 4 1.769 2.199 -2.863 1.00 0.00 H ATOM 58 HA GLU A 4 0.211 3.863 -4.621 1.00 0.00 H ATOM 59 1HB GLU A 4 -0.525 2.270 -2.142 1.00 0.00 H ATOM 60 2HB GLU A 4 -1.702 3.128 -3.126 1.00 0.00 H ATOM 61 1HG GLU A 4 0.108 0.899 -4.083 1.00 0.00 H ATOM 62 2HG GLU A 4 -1.596 0.743 -3.660 1.00 0.00 H ATOM 63 N ALA A 5 0.834 4.979 -1.605 1.00 0.00 N ATOM 64 CA ALA A 5 0.834 6.184 -0.784 1.00 0.00 C ATOM 65 C ALA A 5 1.473 7.353 -1.522 1.00 0.00 C ATOM 66 O ALA A 5 1.006 8.489 -1.429 1.00 0.00 O ATOM 67 CB ALA A 5 1.556 5.929 0.531 1.00 0.00 C ATOM 68 H ALA A 5 1.340 4.166 -1.285 1.00 0.00 H ATOM 69 HA ALA A 5 -0.199 6.442 -0.549 1.00 0.00 H ATOM 70 1HB ALA A 5 1.548 6.838 1.133 1.00 0.00 H ATOM 71 2HB ALA A 5 1.053 5.130 1.074 1.00 0.00 H ATOM 72 3HB ALA A 5 2.586 5.638 0.329 1.00 0.00 H ATOM 73 N GLN A 6 2.545 7.070 -2.254 1.00 0.00 N ATOM 74 CA GLN A 6 3.202 8.080 -3.074 1.00 0.00 C ATOM 75 C GLN A 6 2.273 8.594 -4.166 1.00 0.00 C ATOM 76 O GLN A 6 2.215 9.794 -4.431 1.00 0.00 O ATOM 77 CB GLN A 6 4.481 7.516 -3.698 1.00 0.00 C ATOM 78 CG GLN A 6 5.607 7.281 -2.706 1.00 0.00 C ATOM 79 CD GLN A 6 6.868 6.764 -3.372 1.00 0.00 C ATOM 80 OE1 GLN A 6 7.122 7.038 -4.548 1.00 0.00 O ATOM 81 NE2 GLN A 6 7.666 6.011 -2.624 1.00 0.00 N ATOM 82 H GLN A 6 2.913 6.129 -2.243 1.00 0.00 H ATOM 83 HA GLN A 6 3.483 8.917 -2.432 1.00 0.00 H ATOM 84 1HB GLN A 6 4.260 6.567 -4.186 1.00 0.00 H ATOM 85 2HB GLN A 6 4.845 8.200 -4.464 1.00 0.00 H ATOM 86 1HG GLN A 6 5.844 8.223 -2.211 1.00 0.00 H ATOM 87 2HG GLN A 6 5.282 6.544 -1.971 1.00 0.00 H ATOM 88 1HE2 GLN A 6 8.512 5.641 -3.009 1.00 0.00 H ATOM 89 2HE2 GLN A 6 7.421 5.813 -1.674 1.00 0.00 H ATOM 90 N ARG A 7 1.548 7.677 -4.798 1.00 0.00 N ATOM 91 CA ARG A 7 0.548 8.044 -5.794 1.00 0.00 C ATOM 92 C ARG A 7 -0.529 8.936 -5.190 1.00 0.00 C ATOM 93 O ARG A 7 -0.904 9.954 -5.773 1.00 0.00 O ATOM 94 CB ARG A 7 -0.100 6.801 -6.385 1.00 0.00 C ATOM 95 CG ARG A 7 -1.180 7.073 -7.420 1.00 0.00 C ATOM 96 CD ARG A 7 -1.855 5.822 -7.851 1.00 0.00 C ATOM 97 NE ARG A 7 -2.397 5.082 -6.723 1.00 0.00 N ATOM 98 CZ ARG A 7 -3.444 5.483 -5.976 1.00 0.00 C ATOM 99 NH1 ARG A 7 -4.051 6.616 -6.250 1.00 0.00 N ATOM 100 NH2 ARG A 7 -3.861 4.736 -4.968 1.00 0.00 N ATOM 101 H ARG A 7 1.692 6.701 -4.582 1.00 0.00 H ATOM 102 HA ARG A 7 1.044 8.589 -6.597 1.00 0.00 H ATOM 103 1HB ARG A 7 0.662 6.183 -6.858 1.00 0.00 H ATOM 104 2HB ARG A 7 -0.550 6.210 -5.587 1.00 0.00 H ATOM 105 1HG ARG A 7 -1.931 7.740 -6.996 1.00 0.00 H ATOM 106 2HG ARG A 7 -0.732 7.541 -8.298 1.00 0.00 H ATOM 107 1HD ARG A 7 -2.677 6.066 -8.524 1.00 0.00 H ATOM 108 2HD ARG A 7 -1.141 5.182 -8.367 1.00 0.00 H ATOM 109 HE ARG A 7 -1.956 4.204 -6.481 1.00 0.00 H ATOM 110 1HH1 ARG A 7 -3.732 7.187 -7.020 1.00 0.00 H ATOM 111 2HH1 ARG A 7 -4.835 6.917 -5.690 1.00 0.00 H ATOM 112 1HH2 ARG A 7 -3.395 3.865 -4.758 1.00 0.00 H ATOM 113 2HH2 ARG A 7 -4.646 5.037 -4.409 1.00 0.00 H ATOM 114 N GLU A 8 -1.024 8.549 -4.019 1.00 0.00 N ATOM 115 CA GLU A 8 -2.039 9.328 -3.321 1.00 0.00 C ATOM 116 C GLU A 8 -1.487 10.674 -2.869 1.00 0.00 C ATOM 117 O GLU A 8 -2.193 11.682 -2.886 1.00 0.00 O ATOM 118 CB GLU A 8 -2.570 8.552 -2.114 1.00 0.00 C ATOM 119 CG GLU A 8 -3.475 7.380 -2.467 1.00 0.00 C ATOM 120 CD GLU A 8 -4.765 7.810 -3.109 1.00 0.00 C ATOM 121 OE1 GLU A 8 -5.180 8.921 -2.879 1.00 0.00 O ATOM 122 OE2 GLU A 8 -5.336 7.026 -3.830 1.00 0.00 O ATOM 123 H GLU A 8 -0.687 7.693 -3.602 1.00 0.00 H ATOM 124 HA GLU A 8 -2.871 9.503 -4.004 1.00 0.00 H ATOM 125 1HB GLU A 8 -1.733 8.164 -1.533 1.00 0.00 H ATOM 126 2HB GLU A 8 -3.133 9.225 -1.467 1.00 0.00 H ATOM 127 1HG GLU A 8 -2.945 6.719 -3.152 1.00 0.00 H ATOM 128 2HG GLU A 8 -3.695 6.818 -1.561 1.00 0.00 H ATOM 129 N ALA A 9 -0.221 10.683 -2.466 1.00 0.00 N ATOM 130 CA ALA A 9 0.456 11.920 -2.095 1.00 0.00 C ATOM 131 C ALA A 9 0.532 12.881 -3.274 1.00 0.00 C ATOM 132 O ALA A 9 0.295 14.080 -3.126 1.00 0.00 O ATOM 133 CB ALA A 9 1.850 11.622 -1.564 1.00 0.00 C ATOM 134 H ALA A 9 0.286 9.811 -2.416 1.00 0.00 H ATOM 135 HA ALA A 9 -0.109 12.395 -1.292 1.00 0.00 H ATOM 136 1HB ALA A 9 2.343 12.555 -1.291 1.00 0.00 H ATOM 137 2HB ALA A 9 1.776 10.980 -0.686 1.00 0.00 H ATOM 138 3HB ALA A 9 2.432 11.117 -2.333 1.00 0.00 H ATOM 139 N GLU A 10 0.865 12.348 -4.445 1.00 0.00 N ATOM 140 CA GLU A 10 0.887 13.141 -5.669 1.00 0.00 C ATOM 141 C GLU A 10 -0.468 13.783 -5.933 1.00 0.00 C ATOM 142 O GLU A 10 -0.554 14.976 -6.225 1.00 0.00 O ATOM 143 CB GLU A 10 1.291 12.270 -6.861 1.00 0.00 C ATOM 144 CG GLU A 10 1.352 13.011 -8.189 1.00 0.00 C ATOM 145 CD GLU A 10 1.700 12.114 -9.344 1.00 0.00 C ATOM 146 OE1 GLU A 10 2.210 11.045 -9.109 1.00 0.00 O ATOM 147 OE2 GLU A 10 1.455 12.498 -10.463 1.00 0.00 O ATOM 148 H GLU A 10 1.110 11.369 -4.488 1.00 0.00 H ATOM 149 HA GLU A 10 1.632 13.929 -5.557 1.00 0.00 H ATOM 150 1HB GLU A 10 2.272 11.833 -6.676 1.00 0.00 H ATOM 151 2HB GLU A 10 0.582 11.449 -6.968 1.00 0.00 H ATOM 152 1HG GLU A 10 0.383 13.472 -8.380 1.00 0.00 H ATOM 153 2HG GLU A 10 2.093 13.806 -8.116 1.00 0.00 H ATOM 154 N ARG A 11 -1.526 12.985 -5.829 1.00 0.00 N ATOM 155 CA ARG A 11 -2.884 13.486 -6.008 1.00 0.00 C ATOM 156 C ARG A 11 -3.181 14.628 -5.045 1.00 0.00 C ATOM 157 O ARG A 11 -3.730 15.658 -5.439 1.00 0.00 O ATOM 158 CB ARG A 11 -3.897 12.371 -5.796 1.00 0.00 C ATOM 159 CG ARG A 11 -5.347 12.775 -6.013 1.00 0.00 C ATOM 160 CD ARG A 11 -6.270 11.624 -5.843 1.00 0.00 C ATOM 161 NE ARG A 11 -6.273 11.129 -4.476 1.00 0.00 N ATOM 162 CZ ARG A 11 -6.945 11.701 -3.457 1.00 0.00 C ATOM 163 NH1 ARG A 11 -7.660 12.784 -3.667 1.00 0.00 N ATOM 164 NH2 ARG A 11 -6.884 11.173 -2.247 1.00 0.00 N ATOM 165 H ARG A 11 -1.386 12.007 -5.620 1.00 0.00 H ATOM 166 HA ARG A 11 -2.985 13.854 -7.030 1.00 0.00 H ATOM 167 1HB ARG A 11 -3.680 11.548 -6.475 1.00 0.00 H ATOM 168 2HB ARG A 11 -3.810 11.989 -4.779 1.00 0.00 H ATOM 169 1HG ARG A 11 -5.622 13.545 -5.292 1.00 0.00 H ATOM 170 2HG ARG A 11 -5.469 13.166 -7.024 1.00 0.00 H ATOM 171 1HD ARG A 11 -7.284 11.930 -6.097 1.00 0.00 H ATOM 172 2HD ARG A 11 -5.961 10.810 -6.499 1.00 0.00 H ATOM 173 HE ARG A 11 -5.734 10.298 -4.275 1.00 0.00 H ATOM 174 1HH1 ARG A 11 -7.707 13.187 -4.592 1.00 0.00 H ATOM 175 2HH1 ARG A 11 -8.164 13.212 -2.904 1.00 0.00 H ATOM 176 1HH2 ARG A 11 -6.334 10.341 -2.085 1.00 0.00 H ATOM 177 2HH2 ARG A 11 -7.387 11.602 -1.484 1.00 0.00 H ATOM 178 N ALA A 12 -2.816 14.441 -3.782 1.00 0.00 N ATOM 179 CA ALA A 12 -3.002 15.473 -2.769 1.00 0.00 C ATOM 180 C ALA A 12 -2.241 16.742 -3.130 1.00 0.00 C ATOM 181 O ALA A 12 -2.754 17.850 -2.977 1.00 0.00 O ATOM 182 CB ALA A 12 -2.561 14.963 -1.405 1.00 0.00 C ATOM 183 H ALA A 12 -2.399 13.560 -3.515 1.00 0.00 H ATOM 184 HA ALA A 12 -4.065 15.709 -2.706 1.00 0.00 H ATOM 185 1HB ALA A 12 -2.706 15.745 -0.660 1.00 0.00 H ATOM 186 2HB ALA A 12 -3.155 14.089 -1.134 1.00 0.00 H ATOM 187 3HB ALA A 12 -1.508 14.688 -1.442 1.00 0.00 H ATOM 188 N ILE A 13 -1.013 16.574 -3.611 1.00 0.00 N ATOM 189 CA ILE A 13 -0.203 17.701 -4.055 1.00 0.00 C ATOM 190 C ILE A 13 -0.876 18.447 -5.200 1.00 0.00 C ATOM 191 O ILE A 13 -0.931 19.677 -5.205 1.00 0.00 O ATOM 192 CB ILE A 13 1.195 17.232 -4.499 1.00 0.00 C ATOM 193 CG1 ILE A 13 1.994 16.722 -3.297 1.00 0.00 C ATOM 194 CG2 ILE A 13 1.938 18.361 -5.196 1.00 0.00 C ATOM 195 CD1 ILE A 13 3.248 15.967 -3.673 1.00 0.00 C ATOM 196 H ILE A 13 -0.632 15.640 -3.670 1.00 0.00 H ATOM 197 HA ILE A 13 -0.076 18.388 -3.217 1.00 0.00 H ATOM 198 HB ILE A 13 1.095 16.394 -5.189 1.00 0.00 H ATOM 199 1HG1 ILE A 13 2.278 17.563 -2.666 1.00 0.00 H ATOM 200 2HG1 ILE A 13 1.367 16.062 -2.697 1.00 0.00 H ATOM 201 1HG2 ILE A 13 2.924 18.012 -5.503 1.00 0.00 H ATOM 202 2HG2 ILE A 13 1.377 18.678 -6.074 1.00 0.00 H ATOM 203 3HG2 ILE A 13 2.048 19.202 -4.512 1.00 0.00 H ATOM 204 1HD1 ILE A 13 3.760 15.637 -2.768 1.00 0.00 H ATOM 205 2HD1 ILE A 13 2.983 15.098 -4.277 1.00 0.00 H ATOM 206 3HD1 ILE A 13 3.907 16.619 -4.244 1.00 0.00 H ATOM 207 N ARG A 14 -1.388 17.695 -6.168 1.00 0.00 N ATOM 208 CA ARG A 14 -2.038 18.285 -7.333 1.00 0.00 C ATOM 209 C ARG A 14 -3.309 19.026 -6.938 1.00 0.00 C ATOM 210 O ARG A 14 -3.707 19.989 -7.594 1.00 0.00 O ATOM 211 CB ARG A 14 -2.378 17.212 -8.357 1.00 0.00 C ATOM 212 CG ARG A 14 -1.181 16.615 -9.079 1.00 0.00 C ATOM 213 CD ARG A 14 -1.592 15.580 -10.062 1.00 0.00 C ATOM 214 NE ARG A 14 -0.446 14.953 -10.700 1.00 0.00 N ATOM 215 CZ ARG A 14 0.206 15.456 -11.767 1.00 0.00 C ATOM 216 NH1 ARG A 14 -0.186 16.591 -12.302 1.00 0.00 N ATOM 217 NH2 ARG A 14 1.239 14.808 -12.276 1.00 0.00 N ATOM 218 H ARG A 14 -1.326 16.690 -6.096 1.00 0.00 H ATOM 219 HA ARG A 14 -1.348 18.994 -7.792 1.00 0.00 H ATOM 220 1HB ARG A 14 -2.907 16.396 -7.866 1.00 0.00 H ATOM 221 2HB ARG A 14 -3.045 17.628 -9.112 1.00 0.00 H ATOM 222 1HG ARG A 14 -0.648 17.402 -9.612 1.00 0.00 H ATOM 223 2HG ARG A 14 -0.511 16.152 -8.353 1.00 0.00 H ATOM 224 1HD ARG A 14 -2.166 14.805 -9.555 1.00 0.00 H ATOM 225 2HD ARG A 14 -2.205 16.038 -10.837 1.00 0.00 H ATOM 226 HE ARG A 14 -0.115 14.078 -10.317 1.00 0.00 H ATOM 227 1HH1 ARG A 14 -0.976 17.086 -11.913 1.00 0.00 H ATOM 228 2HH1 ARG A 14 0.302 16.967 -13.101 1.00 0.00 H ATOM 229 1HH2 ARG A 14 1.541 13.935 -11.864 1.00 0.00 H ATOM 230 2HH2 ARG A 14 1.727 15.184 -13.075 1.00 0.00 H ATOM 231 N SER A 15 -3.943 18.572 -5.863 1.00 0.00 N ATOM 232 CA SER A 15 -5.144 19.220 -5.350 1.00 0.00 C ATOM 233 C SER A 15 -4.799 20.488 -4.578 1.00 0.00 C ATOM 234 O SER A 15 -5.683 21.262 -4.211 1.00 0.00 O ATOM 235 CB SER A 15 -5.912 18.266 -4.456 1.00 0.00 C ATOM 236 OG SER A 15 -5.228 18.046 -3.253 1.00 0.00 O ATOM 237 H SER A 15 -3.584 17.756 -5.388 1.00 0.00 H ATOM 238 HA SER A 15 -5.775 19.499 -6.195 1.00 0.00 H ATOM 239 1HB SER A 15 -6.899 18.679 -4.246 1.00 0.00 H ATOM 240 2HB SER A 15 -6.057 17.319 -4.974 1.00 0.00 H ATOM 241 HG SER A 15 -4.328 18.346 -3.401 1.00 0.00 H ATOM 242 N GLY A 16 -3.509 20.694 -4.336 1.00 0.00 N ATOM 243 CA GLY A 16 -3.045 21.870 -3.611 1.00 0.00 C ATOM 244 C GLY A 16 -2.971 21.601 -2.113 1.00 0.00 C ATOM 245 O GLY A 16 -3.133 22.511 -1.301 1.00 0.00 O ATOM 246 H GLY A 16 -2.833 20.019 -4.663 1.00 0.00 H ATOM 247 1HA GLY A 16 -2.061 22.161 -3.981 1.00 0.00 H ATOM 248 2HA GLY A 16 -3.719 22.705 -3.801 1.00 0.00 H ATOM 249 N ASN A 17 -2.727 20.345 -1.755 1.00 0.00 N ATOM 250 CA ASN A 17 -2.673 19.945 -0.354 1.00 0.00 C ATOM 251 C ASN A 17 -1.423 19.125 -0.063 1.00 0.00 C ATOM 252 O ASN A 17 -1.500 17.918 0.165 1.00 0.00 O ATOM 253 CB ASN A 17 -3.921 19.171 0.029 1.00 0.00 C ATOM 254 CG ASN A 17 -5.170 20.001 -0.073 1.00 0.00 C ATOM 255 OD1 ASN A 17 -5.431 20.860 0.777 1.00 0.00 O ATOM 256 ND2 ASN A 17 -5.947 19.762 -1.099 1.00 0.00 N ATOM 257 H ASN A 17 -2.574 19.650 -2.471 1.00 0.00 H ATOM 258 HA ASN A 17 -2.619 20.845 0.261 1.00 0.00 H ATOM 259 1HB ASN A 17 -4.022 18.301 -0.620 1.00 0.00 H ATOM 260 2HB ASN A 17 -3.824 18.807 1.052 1.00 0.00 H ATOM 261 1HD2 ASN A 17 -6.792 20.285 -1.219 1.00 0.00 H ATOM 262 2HD2 ASN A 17 -5.697 19.058 -1.762 1.00 0.00 H ATOM 263 N LYS A 18 -0.271 19.788 -0.071 1.00 0.00 N ATOM 264 CA LYS A 18 0.995 19.129 0.228 1.00 0.00 C ATOM 265 C LYS A 18 1.055 18.688 1.685 1.00 0.00 C ATOM 266 O LYS A 18 1.783 17.758 2.032 1.00 0.00 O ATOM 267 CB LYS A 18 2.169 20.054 -0.091 1.00 0.00 C ATOM 268 CG LYS A 18 2.365 20.335 -1.575 1.00 0.00 C ATOM 269 CD LYS A 18 3.572 21.230 -1.814 1.00 0.00 C ATOM 270 CE LYS A 18 3.775 21.501 -3.297 1.00 0.00 C ATOM 271 NZ LYS A 18 4.986 22.328 -3.550 1.00 0.00 N ATOM 272 H LYS A 18 -0.272 20.774 -0.290 1.00 0.00 H ATOM 273 HA LYS A 18 1.084 18.247 -0.408 1.00 0.00 H ATOM 274 1HB LYS A 18 2.027 21.010 0.414 1.00 0.00 H ATOM 275 2HB LYS A 18 3.092 19.617 0.292 1.00 0.00 H ATOM 276 1HG LYS A 18 2.510 19.394 -2.107 1.00 0.00 H ATOM 277 2HG LYS A 18 1.476 20.823 -1.973 1.00 0.00 H ATOM 278 1HD LYS A 18 3.430 22.179 -1.295 1.00 0.00 H ATOM 279 2HD LYS A 18 4.466 20.749 -1.417 1.00 0.00 H ATOM 280 1HE LYS A 18 3.878 20.557 -3.829 1.00 0.00 H ATOM 281 2HE LYS A 18 2.905 22.024 -3.694 1.00 0.00 H ATOM 282 1HZ LYS A 18 5.085 22.486 -4.543 1.00 0.00 H ATOM 283 2HZ LYS A 18 4.894 23.216 -3.076 1.00 0.00 H ATOM 284 3HZ LYS A 18 5.803 21.846 -3.204 1.00 0.00 H ATOM 285 N GLU A 19 0.286 19.361 2.534 1.00 0.00 N ATOM 286 CA GLU A 19 0.175 18.978 3.936 1.00 0.00 C ATOM 287 C GLU A 19 -0.512 17.626 4.084 1.00 0.00 C ATOM 288 O GLU A 19 -0.116 16.805 4.912 1.00 0.00 O ATOM 289 CB GLU A 19 -0.597 20.041 4.721 1.00 0.00 C ATOM 290 CG GLU A 19 -0.892 19.666 6.166 1.00 0.00 C ATOM 291 CD GLU A 19 0.351 19.371 6.959 1.00 0.00 C ATOM 292 OE1 GLU A 19 1.423 19.516 6.423 1.00 0.00 O ATOM 293 OE2 GLU A 19 0.228 18.999 8.102 1.00 0.00 O ATOM 294 H GLU A 19 -0.234 20.160 2.200 1.00 0.00 H ATOM 295 HA GLU A 19 1.179 18.908 4.357 1.00 0.00 H ATOM 296 1HB GLU A 19 -0.029 20.972 4.726 1.00 0.00 H ATOM 297 2HB GLU A 19 -1.547 20.240 4.226 1.00 0.00 H ATOM 298 1HG GLU A 19 -1.425 20.488 6.642 1.00 0.00 H ATOM 299 2HG GLU A 19 -1.541 18.792 6.178 1.00 0.00 H ATOM 300 N GLU A 20 -1.544 17.401 3.278 1.00 0.00 N ATOM 301 CA GLU A 20 -2.238 16.119 3.261 1.00 0.00 C ATOM 302 C GLU A 20 -1.359 15.025 2.667 1.00 0.00 C ATOM 303 O GLU A 20 -1.399 13.876 3.108 1.00 0.00 O ATOM 304 CB GLU A 20 -3.541 16.228 2.467 1.00 0.00 C ATOM 305 CG GLU A 20 -4.614 17.078 3.132 1.00 0.00 C ATOM 306 CD GLU A 20 -5.020 16.556 4.482 1.00 0.00 C ATOM 307 OE1 GLU A 20 -5.194 15.368 4.611 1.00 0.00 O ATOM 308 OE2 GLU A 20 -5.157 17.347 5.386 1.00 0.00 O ATOM 309 H GLU A 20 -1.855 18.137 2.660 1.00 0.00 H ATOM 310 HA GLU A 20 -2.488 15.847 4.287 1.00 0.00 H ATOM 311 1HB GLU A 20 -3.334 16.657 1.486 1.00 0.00 H ATOM 312 2HB GLU A 20 -3.954 15.232 2.308 1.00 0.00 H ATOM 313 1HG GLU A 20 -4.238 18.094 3.246 1.00 0.00 H ATOM 314 2HG GLU A 20 -5.488 17.114 2.483 1.00 0.00 H ATOM 315 N ALA A 21 -0.567 15.388 1.664 1.00 0.00 N ATOM 316 CA ALA A 21 0.408 14.471 1.087 1.00 0.00 C ATOM 317 C ALA A 21 1.398 13.986 2.139 1.00 0.00 C ATOM 318 O ALA A 21 1.722 12.800 2.199 1.00 0.00 O ATOM 319 CB ALA A 21 1.145 15.138 -0.065 1.00 0.00 C ATOM 320 H ALA A 21 -0.643 16.324 1.292 1.00 0.00 H ATOM 321 HA ALA A 21 -0.124 13.609 0.684 1.00 0.00 H ATOM 322 1HB ALA A 21 1.869 14.440 -0.486 1.00 0.00 H ATOM 323 2HB ALA A 21 0.430 15.427 -0.836 1.00 0.00 H ATOM 324 3HB ALA A 21 1.663 16.023 0.298 1.00 0.00 H ATOM 325 N ARG A 22 1.875 14.910 2.965 1.00 0.00 N ATOM 326 CA ARG A 22 2.771 14.567 4.063 1.00 0.00 C ATOM 327 C ARG A 22 2.124 13.565 5.010 1.00 0.00 C ATOM 328 O ARG A 22 2.736 12.563 5.381 1.00 0.00 O ATOM 329 CB ARG A 22 3.167 15.814 4.841 1.00 0.00 C ATOM 330 CG ARG A 22 4.157 15.575 5.970 1.00 0.00 C ATOM 331 CD ARG A 22 4.510 16.839 6.666 1.00 0.00 C ATOM 332 NE ARG A 22 3.404 17.350 7.459 1.00 0.00 N ATOM 333 CZ ARG A 22 3.090 16.924 8.698 1.00 0.00 C ATOM 334 NH1 ARG A 22 3.806 15.982 9.270 1.00 0.00 N ATOM 335 NH2 ARG A 22 2.061 17.454 9.337 1.00 0.00 N ATOM 336 H ARG A 22 1.609 15.875 2.830 1.00 0.00 H ATOM 337 HA ARG A 22 3.675 14.121 3.645 1.00 0.00 H ATOM 338 1HB ARG A 22 3.610 16.541 4.162 1.00 0.00 H ATOM 339 2HB ARG A 22 2.276 16.270 5.274 1.00 0.00 H ATOM 340 1HG ARG A 22 3.719 14.893 6.700 1.00 0.00 H ATOM 341 2HG ARG A 22 5.071 15.138 5.567 1.00 0.00 H ATOM 342 1HD ARG A 22 5.354 16.663 7.332 1.00 0.00 H ATOM 343 2HD ARG A 22 4.781 17.596 5.930 1.00 0.00 H ATOM 344 HE ARG A 22 2.830 18.076 7.051 1.00 0.00 H ATOM 345 1HH1 ARG A 22 4.592 15.578 8.781 1.00 0.00 H ATOM 346 2HH1 ARG A 22 3.571 15.663 10.199 1.00 0.00 H ATOM 347 1HH2 ARG A 22 1.511 18.178 8.897 1.00 0.00 H ATOM 348 2HH2 ARG A 22 1.826 17.135 10.265 1.00 0.00 H ATOM 349 N ARG A 23 0.884 13.841 5.399 1.00 0.00 N ATOM 350 CA ARG A 23 0.140 12.948 6.279 1.00 0.00 C ATOM 351 C ARG A 23 0.035 11.550 5.684 1.00 0.00 C ATOM 352 O ARG A 23 0.277 10.555 6.367 1.00 0.00 O ATOM 353 CB ARG A 23 -1.257 13.493 6.538 1.00 0.00 C ATOM 354 CG ARG A 23 -2.124 12.627 7.437 1.00 0.00 C ATOM 355 CD ARG A 23 -3.467 13.227 7.648 1.00 0.00 C ATOM 356 NE ARG A 23 -4.206 13.353 6.403 1.00 0.00 N ATOM 357 CZ ARG A 23 -4.816 12.332 5.769 1.00 0.00 C ATOM 358 NH1 ARG A 23 -4.766 11.120 6.275 1.00 0.00 N ATOM 359 NH2 ARG A 23 -5.465 12.550 4.638 1.00 0.00 N ATOM 360 H ARG A 23 0.445 14.692 5.076 1.00 0.00 H ATOM 361 HA ARG A 23 0.667 12.884 7.232 1.00 0.00 H ATOM 362 1HB ARG A 23 -1.183 14.477 6.999 1.00 0.00 H ATOM 363 2HB ARG A 23 -1.781 13.614 5.590 1.00 0.00 H ATOM 364 1HG ARG A 23 -2.255 11.645 6.981 1.00 0.00 H ATOM 365 2HG ARG A 23 -1.642 12.514 8.409 1.00 0.00 H ATOM 366 1HD ARG A 23 -4.044 12.598 8.325 1.00 0.00 H ATOM 367 2HD ARG A 23 -3.357 14.220 8.081 1.00 0.00 H ATOM 368 HE ARG A 23 -4.267 14.271 5.982 1.00 0.00 H ATOM 369 1HH1 ARG A 23 -4.270 10.953 7.139 1.00 0.00 H ATOM 370 2HH1 ARG A 23 -5.224 10.355 5.800 1.00 0.00 H ATOM 371 1HH2 ARG A 23 -5.504 13.482 4.249 1.00 0.00 H ATOM 372 2HH2 ARG A 23 -5.922 11.786 4.163 1.00 0.00 H ATOM 373 N ILE A 24 -0.328 11.481 4.408 1.00 0.00 N ATOM 374 CA ILE A 24 -0.486 10.204 3.724 1.00 0.00 C ATOM 375 C ILE A 24 0.791 9.376 3.801 1.00 0.00 C ATOM 376 O ILE A 24 0.754 8.191 4.131 1.00 0.00 O ATOM 377 CB ILE A 24 -0.874 10.414 2.249 1.00 0.00 C ATOM 378 CG1 ILE A 24 -2.292 10.981 2.146 1.00 0.00 C ATOM 379 CG2 ILE A 24 -0.761 9.108 1.478 1.00 0.00 C ATOM 380 CD1 ILE A 24 -2.638 11.516 0.774 1.00 0.00 C ATOM 381 H ILE A 24 -0.500 12.337 3.899 1.00 0.00 H ATOM 382 HA ILE A 24 -1.292 9.649 4.207 1.00 0.00 H ATOM 383 HB ILE A 24 -0.207 11.150 1.799 1.00 0.00 H ATOM 384 1HG1 ILE A 24 -3.013 10.205 2.401 1.00 0.00 H ATOM 385 2HG1 ILE A 24 -2.414 11.790 2.866 1.00 0.00 H ATOM 386 1HG2 ILE A 24 -1.040 9.275 0.437 1.00 0.00 H ATOM 387 2HG2 ILE A 24 0.264 8.745 1.525 1.00 0.00 H ATOM 388 3HG2 ILE A 24 -1.429 8.367 1.917 1.00 0.00 H ATOM 389 1HD1 ILE A 24 -3.658 11.900 0.780 1.00 0.00 H ATOM 390 2HD1 ILE A 24 -1.948 12.319 0.513 1.00 0.00 H ATOM 391 3HD1 ILE A 24 -2.557 10.714 0.041 1.00 0.00 H ATOM 392 N LEU A 25 1.918 10.008 3.495 1.00 0.00 N ATOM 393 CA LEU A 25 3.195 9.307 3.426 1.00 0.00 C ATOM 394 C LEU A 25 3.649 8.853 4.807 1.00 0.00 C ATOM 395 O LEU A 25 4.180 7.754 4.966 1.00 0.00 O ATOM 396 CB LEU A 25 4.264 10.213 2.802 1.00 0.00 C ATOM 397 CG LEU A 25 4.065 10.554 1.320 1.00 0.00 C ATOM 398 CD1 LEU A 25 5.052 11.638 0.910 1.00 0.00 C ATOM 399 CD2 LEU A 25 4.252 9.298 0.481 1.00 0.00 C ATOM 400 H LEU A 25 1.891 11.000 3.305 1.00 0.00 H ATOM 401 HA LEU A 25 3.074 8.429 2.791 1.00 0.00 H ATOM 402 1HB LEU A 25 4.292 11.150 3.356 1.00 0.00 H ATOM 403 2HB LEU A 25 5.234 9.726 2.903 1.00 0.00 H ATOM 404 HG LEU A 25 3.058 10.945 1.168 1.00 0.00 H ATOM 405 1HD1 LEU A 25 4.910 11.880 -0.143 1.00 0.00 H ATOM 406 2HD1 LEU A 25 4.883 12.530 1.512 1.00 0.00 H ATOM 407 3HD1 LEU A 25 6.070 11.281 1.066 1.00 0.00 H ATOM 408 1HD2 LEU A 25 4.109 9.540 -0.573 1.00 0.00 H ATOM 409 2HD2 LEU A 25 5.258 8.907 0.630 1.00 0.00 H ATOM 410 3HD2 LEU A 25 3.522 8.547 0.782 1.00 0.00 H ATOM 411 N GLU A 26 3.437 9.705 5.804 1.00 0.00 N ATOM 412 CA GLU A 26 3.828 9.394 7.174 1.00 0.00 C ATOM 413 C GLU A 26 2.983 8.262 7.745 1.00 0.00 C ATOM 414 O GLU A 26 3.472 7.440 8.520 1.00 0.00 O ATOM 415 CB GLU A 26 3.700 10.635 8.060 1.00 0.00 C ATOM 416 CG GLU A 26 4.747 11.707 7.795 1.00 0.00 C ATOM 417 CD GLU A 26 4.587 12.913 8.679 1.00 0.00 C ATOM 418 OE1 GLU A 26 3.725 12.896 9.525 1.00 0.00 O ATOM 419 OE2 GLU A 26 5.329 13.852 8.509 1.00 0.00 O ATOM 420 H GLU A 26 2.994 10.591 5.608 1.00 0.00 H ATOM 421 HA GLU A 26 4.874 9.084 7.174 1.00 0.00 H ATOM 422 1HB GLU A 26 2.717 11.085 7.917 1.00 0.00 H ATOM 423 2HB GLU A 26 3.777 10.344 9.108 1.00 0.00 H ATOM 424 1HG GLU A 26 5.737 11.281 7.957 1.00 0.00 H ATOM 425 2HG GLU A 26 4.681 12.016 6.753 1.00 0.00 H ATOM 426 N GLU A 27 1.713 8.225 7.356 1.00 0.00 N ATOM 427 CA GLU A 27 0.834 7.118 7.715 1.00 0.00 C ATOM 428 C GLU A 27 1.278 5.823 7.047 1.00 0.00 C ATOM 429 O GLU A 27 1.177 4.745 7.633 1.00 0.00 O ATOM 430 CB GLU A 27 -0.611 7.436 7.324 1.00 0.00 C ATOM 431 CG GLU A 27 -1.276 8.500 8.186 1.00 0.00 C ATOM 432 CD GLU A 27 -2.653 8.864 7.707 1.00 0.00 C ATOM 433 OE1 GLU A 27 -3.093 8.296 6.736 1.00 0.00 O ATOM 434 OE2 GLU A 27 -3.267 9.711 8.312 1.00 0.00 O ATOM 435 H GLU A 27 1.347 8.983 6.798 1.00 0.00 H ATOM 436 HA GLU A 27 0.871 6.984 8.797 1.00 0.00 H ATOM 437 1HB GLU A 27 -0.641 7.777 6.289 1.00 0.00 H ATOM 438 2HB GLU A 27 -1.213 6.529 7.388 1.00 0.00 H ATOM 439 1HG GLU A 27 -1.345 8.132 9.210 1.00 0.00 H ATOM 440 2HG GLU A 27 -0.650 9.391 8.191 1.00 0.00 H ATOM 441 N ALA A 28 1.770 5.936 5.818 1.00 0.00 N ATOM 442 CA ALA A 28 2.293 4.784 5.094 1.00 0.00 C ATOM 443 C ALA A 28 3.489 4.176 5.814 1.00 0.00 C ATOM 444 O ALA A 28 3.622 2.955 5.896 1.00 0.00 O ATOM 445 CB ALA A 28 2.675 5.179 3.675 1.00 0.00 C ATOM 446 H ALA A 28 1.783 6.843 5.375 1.00 0.00 H ATOM 447 HA ALA A 28 1.509 4.027 5.051 1.00 0.00 H ATOM 448 1HB ALA A 28 3.063 4.308 3.146 1.00 0.00 H ATOM 449 2HB ALA A 28 1.795 5.557 3.153 1.00 0.00 H ATOM 450 3HB ALA A 28 3.439 5.954 3.706 1.00 0.00 H ATOM 451 N GLY A 29 4.359 5.035 6.335 1.00 0.00 N ATOM 452 CA GLY A 29 5.477 4.589 7.157 1.00 0.00 C ATOM 453 C GLY A 29 6.744 5.372 6.835 1.00 0.00 C ATOM 454 O GLY A 29 7.855 4.907 7.092 1.00 0.00 O ATOM 455 H GLY A 29 4.242 6.022 6.157 1.00 0.00 H ATOM 456 1HA GLY A 29 5.227 4.714 8.211 1.00 0.00 H ATOM 457 2HA GLY A 29 5.650 3.527 6.992 1.00 0.00 H ATOM 458 N TYR A 30 6.571 6.562 6.271 1.00 0.00 N ATOM 459 CA TYR A 30 7.694 7.449 5.993 1.00 0.00 C ATOM 460 C TYR A 30 7.920 8.427 7.139 1.00 0.00 C ATOM 461 O TYR A 30 6.978 8.823 7.825 1.00 0.00 O ATOM 462 CB TYR A 30 7.465 8.210 4.685 1.00 0.00 C ATOM 463 CG TYR A 30 7.570 7.344 3.449 1.00 0.00 C ATOM 464 CD1 TYR A 30 6.427 7.008 2.738 1.00 0.00 C ATOM 465 CD2 TYR A 30 8.808 6.885 3.027 1.00 0.00 C ATOM 466 CE1 TYR A 30 6.522 6.218 1.610 1.00 0.00 C ATOM 467 CE2 TYR A 30 8.904 6.095 1.898 1.00 0.00 C ATOM 468 CZ TYR A 30 7.767 5.761 1.191 1.00 0.00 C ATOM 469 OH TYR A 30 7.862 4.973 0.067 1.00 0.00 O ATOM 470 H TYR A 30 5.637 6.860 6.028 1.00 0.00 H ATOM 471 HA TYR A 30 8.595 6.845 5.892 1.00 0.00 H ATOM 472 1HB TYR A 30 6.474 8.666 4.698 1.00 0.00 H ATOM 473 2HB TYR A 30 8.195 9.014 4.599 1.00 0.00 H ATOM 474 HD1 TYR A 30 5.453 7.369 3.071 1.00 0.00 H ATOM 475 HD2 TYR A 30 9.706 7.148 3.586 1.00 0.00 H ATOM 476 HE1 TYR A 30 5.624 5.954 1.051 1.00 0.00 H ATOM 477 HE2 TYR A 30 9.878 5.733 1.566 1.00 0.00 H ATOM 478 HH TYR A 30 8.759 4.640 -0.014 1.00 0.00 H ATOM 479 N SER A 31 9.175 8.812 7.343 1.00 0.00 N ATOM 480 CA SER A 31 9.509 9.865 8.294 1.00 0.00 C ATOM 481 C SER A 31 9.145 11.239 7.745 1.00 0.00 C ATOM 482 O SER A 31 8.979 11.411 6.538 1.00 0.00 O ATOM 483 CB SER A 31 10.988 9.819 8.626 1.00 0.00 C ATOM 484 OG SER A 31 11.761 10.225 7.531 1.00 0.00 O ATOM 485 H SER A 31 9.918 8.364 6.825 1.00 0.00 H ATOM 486 HA SER A 31 8.938 9.700 9.208 1.00 0.00 H ATOM 487 1HB SER A 31 11.189 10.469 9.478 1.00 0.00 H ATOM 488 2HB SER A 31 11.264 8.806 8.915 1.00 0.00 H ATOM 489 HG SER A 31 12.641 9.872 7.683 1.00 0.00 H ATOM 490 N PRO A 32 9.022 12.214 8.639 1.00 0.00 N ATOM 491 CA PRO A 32 8.728 13.586 8.241 1.00 0.00 C ATOM 492 C PRO A 32 9.688 14.063 7.160 1.00 0.00 C ATOM 493 O PRO A 32 9.289 14.753 6.222 1.00 0.00 O ATOM 494 CB PRO A 32 8.910 14.369 9.545 1.00 0.00 C ATOM 495 CG PRO A 32 8.557 13.391 10.612 1.00 0.00 C ATOM 496 CD PRO A 32 9.124 12.084 10.125 1.00 0.00 C ATOM 497 HA PRO A 32 7.712 13.621 7.847 1.00 0.00 H ATOM 498 1HB PRO A 32 9.945 14.732 9.624 1.00 0.00 H ATOM 499 2HB PRO A 32 8.258 15.255 9.545 1.00 0.00 H ATOM 500 1HG PRO A 32 8.986 13.706 11.574 1.00 0.00 H ATOM 501 2HG PRO A 32 7.466 13.354 10.748 1.00 0.00 H ATOM 502 1HD PRO A 32 10.169 11.991 10.455 1.00 0.00 H ATOM 503 2HD PRO A 32 8.518 11.253 10.515 1.00 0.00 H ATOM 504 N GLU A 33 10.957 13.693 7.297 1.00 0.00 N ATOM 505 CA GLU A 33 11.966 14.032 6.300 1.00 0.00 C ATOM 506 C GLU A 33 11.688 13.333 4.975 1.00 0.00 C ATOM 507 O GLU A 33 11.673 13.966 3.920 1.00 0.00 O ATOM 508 CB GLU A 33 13.361 13.656 6.804 1.00 0.00 C ATOM 509 CG GLU A 33 14.487 13.968 5.829 1.00 0.00 C ATOM 510 CD GLU A 33 15.841 13.583 6.356 1.00 0.00 C ATOM 511 OE1 GLU A 33 15.939 13.272 7.518 1.00 0.00 O ATOM 512 OE2 GLU A 33 16.780 13.600 5.594 1.00 0.00 O ATOM 513 H GLU A 33 11.230 13.163 8.112 1.00 0.00 H ATOM 514 HA GLU A 33 11.943 15.110 6.138 1.00 0.00 H ATOM 515 1HB GLU A 33 13.567 14.186 7.734 1.00 0.00 H ATOM 516 2HB GLU A 33 13.394 12.588 7.022 1.00 0.00 H ATOM 517 1HG GLU A 33 14.306 13.432 4.897 1.00 0.00 H ATOM 518 2HG GLU A 33 14.478 15.035 5.609 1.00 0.00 H ATOM 519 N GLN A 34 11.469 12.024 5.038 1.00 0.00 N ATOM 520 CA GLN A 34 11.224 11.230 3.840 1.00 0.00 C ATOM 521 C GLN A 34 9.977 11.709 3.107 1.00 0.00 C ATOM 522 O GLN A 34 9.961 11.792 1.879 1.00 0.00 O ATOM 523 CB GLN A 34 11.082 9.748 4.198 1.00 0.00 C ATOM 524 CG GLN A 34 12.381 9.084 4.622 1.00 0.00 C ATOM 525 CD GLN A 34 12.172 7.661 5.106 1.00 0.00 C ATOM 526 OE1 GLN A 34 11.193 7.363 5.796 1.00 0.00 O ATOM 527 NE2 GLN A 34 13.092 6.774 4.746 1.00 0.00 N ATOM 528 H GLN A 34 11.471 11.567 5.938 1.00 0.00 H ATOM 529 HA GLN A 34 12.082 11.334 3.174 1.00 0.00 H ATOM 530 1HB GLN A 34 10.366 9.638 5.012 1.00 0.00 H ATOM 531 2HB GLN A 34 10.689 9.203 3.340 1.00 0.00 H ATOM 532 1HG GLN A 34 13.059 9.059 3.769 1.00 0.00 H ATOM 533 2HG GLN A 34 12.824 9.660 5.434 1.00 0.00 H ATOM 534 1HE2 GLN A 34 13.008 5.820 5.036 1.00 0.00 H ATOM 535 2HE2 GLN A 34 13.870 7.059 4.186 1.00 0.00 H ATOM 536 N ALA A 35 8.934 12.024 3.867 1.00 0.00 N ATOM 537 CA ALA A 35 7.693 12.531 3.294 1.00 0.00 C ATOM 538 C ALA A 35 7.926 13.837 2.545 1.00 0.00 C ATOM 539 O ALA A 35 7.434 14.021 1.432 1.00 0.00 O ATOM 540 CB ALA A 35 6.647 12.724 4.382 1.00 0.00 C ATOM 541 H ALA A 35 9.002 11.908 4.868 1.00 0.00 H ATOM 542 HA ALA A 35 7.307 11.790 2.593 1.00 0.00 H ATOM 543 1HB ALA A 35 5.726 13.103 3.939 1.00 0.00 H ATOM 544 2HB ALA A 35 6.449 11.770 4.870 1.00 0.00 H ATOM 545 3HB ALA A 35 7.015 13.437 5.118 1.00 0.00 H ATOM 546 N GLU A 36 8.678 14.741 3.163 1.00 0.00 N ATOM 547 CA GLU A 36 9.037 16.003 2.526 1.00 0.00 C ATOM 548 C GLU A 36 9.796 15.768 1.226 1.00 0.00 C ATOM 549 O GLU A 36 9.479 16.361 0.195 1.00 0.00 O ATOM 550 CB GLU A 36 9.882 16.857 3.474 1.00 0.00 C ATOM 551 CG GLU A 36 10.323 18.193 2.892 1.00 0.00 C ATOM 552 CD GLU A 36 11.164 18.997 3.845 1.00 0.00 C ATOM 553 OE1 GLU A 36 11.186 18.672 5.007 1.00 0.00 O ATOM 554 OE2 GLU A 36 11.785 19.937 3.409 1.00 0.00 O ATOM 555 H GLU A 36 9.010 14.550 4.097 1.00 0.00 H ATOM 556 HA GLU A 36 8.121 16.550 2.302 1.00 0.00 H ATOM 557 1HB GLU A 36 9.317 17.058 4.384 1.00 0.00 H ATOM 558 2HB GLU A 36 10.778 16.305 3.760 1.00 0.00 H ATOM 559 1HG GLU A 36 10.897 18.010 1.984 1.00 0.00 H ATOM 560 2HG GLU A 36 9.439 18.768 2.621 1.00 0.00 H ATOM 561 N ARG A 37 10.800 14.899 1.282 1.00 0.00 N ATOM 562 CA ARG A 37 11.632 14.615 0.119 1.00 0.00 C ATOM 563 C ARG A 37 10.798 14.082 -1.039 1.00 0.00 C ATOM 564 O ARG A 37 10.987 14.483 -2.188 1.00 0.00 O ATOM 565 CB ARG A 37 12.713 13.602 0.469 1.00 0.00 C ATOM 566 CG ARG A 37 13.823 14.135 1.361 1.00 0.00 C ATOM 567 CD ARG A 37 14.855 13.101 1.630 1.00 0.00 C ATOM 568 NE ARG A 37 15.879 13.582 2.544 1.00 0.00 N ATOM 569 CZ ARG A 37 16.943 14.323 2.180 1.00 0.00 C ATOM 570 NH1 ARG A 37 17.109 14.661 0.920 1.00 0.00 N ATOM 571 NH2 ARG A 37 17.820 14.712 3.089 1.00 0.00 N ATOM 572 H ARG A 37 10.991 14.423 2.152 1.00 0.00 H ATOM 573 HA ARG A 37 12.116 15.540 -0.195 1.00 0.00 H ATOM 574 1HB ARG A 37 12.263 12.751 0.977 1.00 0.00 H ATOM 575 2HB ARG A 37 13.175 13.232 -0.446 1.00 0.00 H ATOM 576 1HG ARG A 37 14.306 14.983 0.874 1.00 0.00 H ATOM 577 2HG ARG A 37 13.402 14.456 2.315 1.00 0.00 H ATOM 578 1HD ARG A 37 14.385 12.225 2.076 1.00 0.00 H ATOM 579 2HD ARG A 37 15.339 12.818 0.696 1.00 0.00 H ATOM 580 HE ARG A 37 15.786 13.342 3.523 1.00 0.00 H ATOM 581 1HH1 ARG A 37 16.438 14.363 0.225 1.00 0.00 H ATOM 582 2HH1 ARG A 37 17.906 15.216 0.647 1.00 0.00 H ATOM 583 1HH2 ARG A 37 17.693 14.453 4.058 1.00 0.00 H ATOM 584 2HH2 ARG A 37 18.617 15.267 2.816 1.00 0.00 H ATOM 585 N ILE A 38 9.876 13.177 -0.730 1.00 0.00 N ATOM 586 CA ILE A 38 8.982 12.620 -1.738 1.00 0.00 C ATOM 587 C ILE A 38 8.114 13.703 -2.365 1.00 0.00 C ATOM 588 O ILE A 38 7.956 13.757 -3.585 1.00 0.00 O ATOM 589 CB ILE A 38 8.082 11.528 -1.130 1.00 0.00 C ATOM 590 CG1 ILE A 38 8.914 10.301 -0.749 1.00 0.00 C ATOM 591 CG2 ILE A 38 6.979 11.145 -2.105 1.00 0.00 C ATOM 592 CD1 ILE A 38 8.174 9.307 0.117 1.00 0.00 C ATOM 593 H ILE A 38 9.791 12.868 0.228 1.00 0.00 H ATOM 594 HA ILE A 38 9.587 12.160 -2.520 1.00 0.00 H ATOM 595 HB ILE A 38 7.629 11.900 -0.211 1.00 0.00 H ATOM 596 1HG1 ILE A 38 9.242 9.789 -1.653 1.00 0.00 H ATOM 597 2HG1 ILE A 38 9.808 10.620 -0.212 1.00 0.00 H ATOM 598 1HG2 ILE A 38 6.352 10.372 -1.660 1.00 0.00 H ATOM 599 2HG2 ILE A 38 6.370 12.021 -2.328 1.00 0.00 H ATOM 600 3HG2 ILE A 38 7.422 10.767 -3.026 1.00 0.00 H ATOM 601 1HD1 ILE A 38 8.829 8.465 0.345 1.00 0.00 H ATOM 602 2HD1 ILE A 38 7.867 9.790 1.045 1.00 0.00 H ATOM 603 3HD1 ILE A 38 7.294 8.946 -0.414 1.00 0.00 H ATOM 604 N ILE A 39 7.554 14.566 -1.524 1.00 0.00 N ATOM 605 CA ILE A 39 6.735 15.676 -1.997 1.00 0.00 C ATOM 606 C ILE A 39 7.522 16.578 -2.939 1.00 0.00 C ATOM 607 O ILE A 39 7.017 16.995 -3.981 1.00 0.00 O ATOM 608 CB ILE A 39 6.200 16.506 -0.816 1.00 0.00 C ATOM 609 CG1 ILE A 39 5.167 15.702 -0.023 1.00 0.00 C ATOM 610 CG2 ILE A 39 5.597 17.811 -1.314 1.00 0.00 C ATOM 611 CD1 ILE A 39 4.814 16.313 1.314 1.00 0.00 C ATOM 612 H ILE A 39 7.699 14.450 -0.531 1.00 0.00 H ATOM 613 HA ILE A 39 5.879 15.269 -2.537 1.00 0.00 H ATOM 614 HB ILE A 39 7.017 16.733 -0.131 1.00 0.00 H ATOM 615 1HG1 ILE A 39 4.253 15.608 -0.608 1.00 0.00 H ATOM 616 2HG1 ILE A 39 5.546 14.696 0.153 1.00 0.00 H ATOM 617 1HG2 ILE A 39 5.223 18.385 -0.467 1.00 0.00 H ATOM 618 2HG2 ILE A 39 6.359 18.388 -1.836 1.00 0.00 H ATOM 619 3HG2 ILE A 39 4.775 17.595 -1.996 1.00 0.00 H ATOM 620 1HD1 ILE A 39 4.077 15.687 1.817 1.00 0.00 H ATOM 621 2HD1 ILE A 39 5.711 16.384 1.930 1.00 0.00 H ATOM 622 3HD1 ILE A 39 4.398 17.308 1.161 1.00 0.00 H ATOM 623 N ARG A 40 8.762 16.877 -2.565 1.00 0.00 N ATOM 624 CA ARG A 40 9.625 17.723 -3.381 1.00 0.00 C ATOM 625 C ARG A 40 9.915 17.077 -4.729 1.00 0.00 C ATOM 626 O ARG A 40 9.974 17.757 -5.754 1.00 0.00 O ATOM 627 CB ARG A 40 10.937 18.000 -2.662 1.00 0.00 C ATOM 628 CG ARG A 40 10.829 18.944 -1.475 1.00 0.00 C ATOM 629 CD ARG A 40 12.152 19.188 -0.844 1.00 0.00 C ATOM 630 NE ARG A 40 12.046 20.046 0.325 1.00 0.00 N ATOM 631 CZ ARG A 40 12.004 21.392 0.285 1.00 0.00 C ATOM 632 NH1 ARG A 40 12.061 22.017 -0.870 1.00 0.00 N ATOM 633 NH2 ARG A 40 11.907 22.084 1.406 1.00 0.00 N ATOM 634 H ARG A 40 9.116 16.508 -1.694 1.00 0.00 H ATOM 635 HA ARG A 40 9.117 18.674 -3.550 1.00 0.00 H ATOM 636 1HB ARG A 40 11.359 17.063 -2.300 1.00 0.00 H ATOM 637 2HB ARG A 40 11.652 18.432 -3.362 1.00 0.00 H ATOM 638 1HG ARG A 40 10.425 19.901 -1.806 1.00 0.00 H ATOM 639 2HG ARG A 40 10.166 18.511 -0.724 1.00 0.00 H ATOM 640 1HD ARG A 40 12.586 18.239 -0.532 1.00 0.00 H ATOM 641 2HD ARG A 40 12.813 19.671 -1.563 1.00 0.00 H ATOM 642 HE ARG A 40 12.000 19.601 1.232 1.00 0.00 H ATOM 643 1HH1 ARG A 40 12.135 21.489 -1.728 1.00 0.00 H ATOM 644 2HH1 ARG A 40 12.030 23.026 -0.901 1.00 0.00 H ATOM 645 1HH2 ARG A 40 11.863 21.603 2.295 1.00 0.00 H ATOM 646 2HH2 ARG A 40 11.876 23.092 1.376 1.00 0.00 H ATOM 647 N LYS A 41 10.095 15.761 -4.722 1.00 0.00 N ATOM 648 CA LYS A 41 10.317 15.011 -5.953 1.00 0.00 C ATOM 649 C LYS A 41 9.073 15.014 -6.832 1.00 0.00 C ATOM 650 O LYS A 41 9.165 15.124 -8.054 1.00 0.00 O ATOM 651 CB LYS A 41 10.735 13.574 -5.638 1.00 0.00 C ATOM 652 CG LYS A 41 12.139 13.439 -5.063 1.00 0.00 C ATOM 653 CD LYS A 41 12.462 11.990 -4.729 1.00 0.00 C ATOM 654 CE LYS A 41 13.860 11.855 -4.144 1.00 0.00 C ATOM 655 NZ LYS A 41 14.185 10.444 -3.801 1.00 0.00 N ATOM 656 H LYS A 41 10.078 15.266 -3.842 1.00 0.00 H ATOM 657 HA LYS A 41 11.134 15.482 -6.502 1.00 0.00 H ATOM 658 1HB LYS A 41 10.037 13.141 -4.921 1.00 0.00 H ATOM 659 2HB LYS A 41 10.686 12.973 -6.546 1.00 0.00 H ATOM 660 1HG LYS A 41 12.866 13.807 -5.787 1.00 0.00 H ATOM 661 2HG LYS A 41 12.220 14.038 -4.156 1.00 0.00 H ATOM 662 1HD LYS A 41 11.736 11.612 -4.008 1.00 0.00 H ATOM 663 2HD LYS A 41 12.397 11.386 -5.634 1.00 0.00 H ATOM 664 1HE LYS A 41 14.592 12.219 -4.863 1.00 0.00 H ATOM 665 2HE LYS A 41 13.937 12.461 -3.242 1.00 0.00 H ATOM 666 1HZ LYS A 41 15.118 10.397 -3.417 1.00 0.00 H ATOM 667 2HZ LYS A 41 13.523 10.101 -3.120 1.00 0.00 H ATOM 668 3HZ LYS A 41 14.136 9.874 -4.634 1.00 0.00 H ATOM 669 N LEU A 42 7.910 14.893 -6.202 1.00 0.00 N ATOM 670 CA LEU A 42 6.644 14.879 -6.925 1.00 0.00 C ATOM 671 C LEU A 42 6.310 16.259 -7.477 1.00 0.00 C ATOM 672 O LEU A 42 5.746 16.384 -8.564 1.00 0.00 O ATOM 673 CB LEU A 42 5.513 14.402 -6.006 1.00 0.00 C ATOM 674 CG LEU A 42 5.569 12.925 -5.594 1.00 0.00 C ATOM 675 CD1 LEU A 42 4.515 12.654 -4.529 1.00 0.00 C ATOM 676 CD2 LEU A 42 5.348 12.048 -6.817 1.00 0.00 C ATOM 677 H LEU A 42 7.902 14.808 -5.195 1.00 0.00 H ATOM 678 HA LEU A 42 6.729 14.181 -7.758 1.00 0.00 H ATOM 679 1HB LEU A 42 5.529 15.000 -5.096 1.00 0.00 H ATOM 680 2HB LEU A 42 4.561 14.569 -6.510 1.00 0.00 H ATOM 681 HG LEU A 42 6.545 12.705 -5.160 1.00 0.00 H ATOM 682 1HD1 LEU A 42 4.555 11.605 -4.236 1.00 0.00 H ATOM 683 2HD1 LEU A 42 4.708 13.281 -3.658 1.00 0.00 H ATOM 684 3HD1 LEU A 42 3.527 12.882 -4.928 1.00 0.00 H ATOM 685 1HD2 LEU A 42 5.389 10.998 -6.524 1.00 0.00 H ATOM 686 2HD2 LEU A 42 4.372 12.266 -7.250 1.00 0.00 H ATOM 687 3HD2 LEU A 42 6.126 12.249 -7.554 1.00 0.00 H ATOM 688 N GLY A 43 6.661 17.294 -6.721 1.00 0.00 N ATOM 689 CA GLY A 43 6.444 18.669 -7.156 1.00 0.00 C ATOM 690 C GLY A 43 5.932 19.534 -6.011 1.00 0.00 C ATOM 691 O GLY A 43 5.251 19.047 -5.109 1.00 0.00 O ATOM 692 OXT GLY A 43 6.193 20.704 -5.980 1.00 0.00 O ATOM 693 H GLY A 43 7.090 17.124 -5.823 1.00 0.00 H ATOM 694 1HA GLY A 43 7.377 19.081 -7.539 1.00 0.00 H ATOM 695 2HA GLY A 43 5.726 18.682 -7.975 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE nods_bigger.blueprint.34_try249_pass_20150519224605_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 rama omega fa_dun p_aa_pp ref total weights 0.8 0.44 0.75 0.004 0.7 1 1.17 1.17 1.17 1.1 1 0.2 0.5 0.56 0.32 1 NA pose -174.704 16.0104 105.413 0.31206 -28.0545 0.04032 -24.3222 -1.83342 -1.77606 -10.2977 0 -5.41324 2.43832 44.5853 -6.94189 -11.5214 -96.0649 SER:NtermProteinFull_1 -2.10089 0.12323 1.7727 0.00171 -0.22573 0 0 0 -0.15485 0 0 0 0.00539 0.13145 0 0.17658 -0.27042 LYS_2 -4.05915 0.34076 2.34379 0.00309 -0.32813 0 0 0 0 0 0 -0.27673 0.12474 0.71522 -0.03426 -0.28737 -1.45806 ASP_3 -2.60904 0.22559 1.87059 0.00335 -0.1234 0 0 0 0 0 0 -0.11864 0.08139 1.28995 0.05094 -1.28682 -0.61609 GLU_4 -4.29991 0.3133 3.61839 0.00509 -1.11566 0 0 0 -0.15485 -0.3339 0 -0.25926 0.07704 2.31142 -0.16096 -1.55374 -1.55304 ALA_5 -3.99346 0.4865 1.80766 0.00074 -0.20069 0 0 0 0 0 0 -0.19274 0.07294 0 -0.19349 0.59294 -1.61961 GLN_6 -4.71386 0.32394 2.67289 0.00352 -0.3857 0 0 0 0 -0.50172 0 -0.12891 0.1068 2.23529 -0.10057 -1.17797 -1.6663 ARG_7 -5.04586 0.38812 4.26213 0.02101 -2.00196 0 0 0 0 -0.71974 0 -0.11671 0.0085 1.90825 -0.08566 -0.14916 -1.53107 GLU_8 -5.37262 0.27161 3.97269 0.00587 -2.05499 0 0 0 0 -0.82579 0 -0.25949 0.09008 2.62328 -0.14262 -1.55374 -3.24571 ALA_9 -4.67023 0.46181 1.89819 0.00073 -0.29792 0 0 0 0 0 0 -0.14028 0.08485 0 -0.16802 0.59294 -2.23793 GLU_10 -4.9447 0.42463 3.07581 0.00725 -1.08096 0 0 0 0 -0.53128 0 -0.12261 0.02668 2.28907 -0.10082 -1.55374 -2.51067 ARG_11 -3.95874 0.26806 3.00155 0.01369 -1.15353 0 0 0 0 -0.43994 0 -0.07961 0.02188 1.42903 -0.10665 -0.14916 -1.15343 ALA_12 -4.67433 0.32486 2.59162 0.00074 -0.59847 0 0 0 0 0 0 -0.15415 0.04517 0 -0.18054 0.59294 -2.05217 ILE_13 -5.51461 0.79273 2.21447 0.02025 -0.21309 0 0 0 0 0 0 -0.01573 0.00625 0.07662 -0.07593 0.8318 -1.87723 ARG_14 -3.0687 0.3887 2.10539 0.00957 -0.89237 0 0 0 0 -0.53128 0 -0.24081 0.02516 1.50027 -0.08374 -0.14916 -0.93698 SER_15 -2.66127 0.27765 2.41671 0.00412 -0.55516 0 0 0 0 -0.35091 0 -0.26481 0.00017 0.15654 -0.21233 0.17658 -1.01271 GLY_16 -1.67399 0.38685 1.20979 2e-05 -0.31115 0 0 0 0 0 0 -0.19193 0.01938 0 -0.78197 0.14053 -1.20249 ASN_17 -4.19035 0.33048 2.85822 0.00428 -0.48504 0 0 0 0 -0.35091 0 0.01503 0.01443 1.51609 -0.35542 -0.94198 -1.58518 LYS_18 -3.39943 0.24739 1.88728 0.00318 -0.67052 0 0 0 0 0 0 -0.27553 0.10534 0.74379 -0.03907 -0.28737 -1.68493 GLU_19 -3.0637 0.38636 2.48229 0.0182 -1.30137 0 0 0 0 -0.81836 0 -0.23218 0.07038 2.97915 -0.13444 -1.55374 -1.16741 GLU_20 -4.28552 0.35084 2.90335 0.00543 -1.08842 0 0 0 0 -0.40245 0 -0.24392 0.15572 2.36344 -0.16322 -1.55374 -1.95848 ALA_21 -4.67209 0.35258 1.81992 0.00073 -0.09733 0 0 0 0 0 0 -0.12942 0.06068 0 -0.16718 0.59294 -2.23917 ARG_22 -5.5868 0.62485 4.23547 0.01303 -2.25111 0 0 0 0 -1.13209 0 -0.07122 0.01083 1.53844 -0.08579 -0.14916 -2.85355 ARG_23 -5.28882 0.47524 4.43946 0.01526 -1.9043 0 0 0 0 -0.66654 0 -0.06402 0.00467 1.41144 -0.09994 -0.14916 -1.82671 ILE_24 -5.20185 0.32216 2.43786 0.0204 -0.30878 0 0 0 0 0 0 0.06519 0.1212 0.09943 -0.04245 0.8318 -1.65503 LEU_25 -6.5544 0.64624 1.78653 0.00628 -0.40058 0 0 0 0 0 0 -0.11418 0.00017 0.25712 -0.11607 0.60233 -3.88658 GLU_26 -5.24021 0.50192 3.74369 0.00442 -0.95746 0 0 0 0 -0.31374 0 -0.25857 0.21262 2.18951 -0.1562 -1.55374 -1.82777 GLU_27 -3.22619 0.35004 2.54744 0.00453 -0.75063 0 0 0 0 -0.26409 0 -0.25871 0.04996 2.16632 -0.14531 -1.55374 -1.08037 ALA_28 -2.57065 0.41883 1.02167 0.00074 -0.03586 0 0 0 0 0 0 -0.17302 0.1752 0 -0.18418 0.59294 -0.75432 GLY_29 -1.86103 0.19727 1.25065 8e-05 0.06956 0 0 0 0 0 0 0.51411 0.08389 0 -1.24906 0.14053 -0.85401 TYR_30 -6.2461 0.57003 2.56423 0.0228 -0.08858 0 0 0 0 -0.50172 0 -0.18492 0.29463 1.56504 -0.15491 0.1317 -2.02782 SER_31 -3.38777 0.54048 2.59096 0.0016 -0.62812 0.00061 0 0 -0.73318 0 0 -0.28609 0.02893 0.15845 -0.23314 0.17658 -1.77068 PRO_32 -2.36944 0.31097 1.46503 0.00093 -0.13772 0.0397 0 0 0 0 0 0.05785 0.03945 0.06253 -0.30633 -0.21929 -1.05633 GLU_33 -3.45664 0.43092 2.46864 0.00732 -0.92481 0 0 0 0 -0.34069 0 -0.11236 0.01208 2.24556 -0.10154 -1.55374 -1.32526 GLN_34 -4.89744 0.3041 2.84879 0.00342 -0.42938 0 0 0 -0.73318 0 0 -0.12069 0.01524 1.98549 -0.09893 -1.17797 -2.30055 ALA_35 -4.419 0.40511 1.91183 0.00073 -0.28128 0 0 0 0 0 0 -0.11058 0.0561 0 -0.15099 0.59294 -1.99515 GLU_36 -4.19005 0.31673 2.87804 0.00746 -0.95656 0 0 0 0 -0.46594 0 -0.12802 0.01837 2.24609 -0.1055 -1.55374 -1.9331 ARG_37 -4.42381 0.31193 2.80983 0.00953 -1.03948 0 0 0 0 -0.34069 0 -0.14903 0.02094 1.67523 -0.09546 -0.14916 -1.37017 ILE_38 -5.48941 0.53706 1.91284 0.02056 -0.24596 0 0 0 0 0 0 -0.02137 0.01988 0.07709 -0.08827 0.8318 -2.44578 ILE_39 -5.66124 0.42399 2.28728 0.02101 -0.12284 0 0 0 0 0 0 -0.00608 0.00101 0.10408 -0.04474 0.8318 -2.16572 ARG_40 -3.57789 0.2221 2.43199 0.00953 -0.84729 0 0 0 0 -0.46594 0 -0.21702 0.04311 1.58645 -0.08493 -0.14916 -1.04904 LYS_41 -2.39399 0.22286 1.33827 0.00308 0.03943 0 0 0 0 0 0 -0.21997 6e-05 0.77535 -0.03573 -0.28737 -0.55801 LEU_42 -3.50869 0.28096 1.26018 0.00663 -0.06647 0 0 0 0 0 0 -0.12613 0.02706 0.1728 -0.12648 0.60233 -1.47781 GLY:CtermProteinFull_43 -2.1802 0.13062 2.3971 0.00016 -0.60469 0 0 0 0 0 0 0 0 0 0 0.14053 -0.11648 #END_POSE_ENERGIES_TABLE nods_bigger.blueprint.34_try249_pass_20150519224605_0001.pdb AlaCount 6 bb -0.0426277 buried_minus_exposed 3378.59 buried_np 4895.79 buried_over_exposed 3.22682 cavity_volume 0 contact_all 224 contact_core_SASA 224 contact_core_SCN 224 degree 10.5814 degree_core_SASA 10.5814 degree_core_SCN 10.5814 exposed_hydrophobics 1517.21 holes -0.0716814 mismatch_probability 0.0710784 one_core_each 1 pack 0.712173 percent_core_SASA 0.0697512 percent_core_SCN 0.139502 res_count_core_SASA 3 res_count_core_SCN 6 ss_sc 0.844432 two_core_each 0.666667 unsat_hbond 3
HHH_rd2_0139.pdb
ATOM 1 N ASP A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA ASP A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C ASP A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O ASP A 1 1.251 2.390 0.012 1.00 0.00 O ATOM 5 CB ASP A 1 1.995 -0.762 -1.214 1.00 0.00 C ATOM 6 CG ASP A 1 1.675 -0.073 -2.534 1.00 0.00 C ATOM 7 OD1 ASP A 1 1.281 1.069 -2.506 1.00 0.00 O ATOM 8 OD2 ASP A 1 1.828 -0.695 -3.558 1.00 0.00 O ATOM 9 1H ASP A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 10 2H ASP A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 11 3H ASP A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 12 HA ASP A 1 1.804 -0.500 0.905 1.00 0.00 H ATOM 13 1HB ASP A 1 3.076 -0.867 -1.129 1.00 0.00 H ATOM 14 2HB ASP A 1 1.568 -1.765 -1.232 1.00 0.00 H ATOM 15 N ASP A 2 3.332 1.536 -0.013 1.00 0.00 N ATOM 16 CA ASP A 2 3.989 2.833 0.098 1.00 0.00 C ATOM 17 C ASP A 2 3.749 3.681 -1.145 1.00 0.00 C ATOM 18 O ASP A 2 3.719 4.909 -1.073 1.00 0.00 O ATOM 19 CB ASP A 2 5.493 2.655 0.319 1.00 0.00 C ATOM 20 CG ASP A 2 5.831 2.145 1.714 1.00 0.00 C ATOM 21 OD1 ASP A 2 4.989 2.231 2.576 1.00 0.00 O ATOM 22 OD2 ASP A 2 6.927 1.675 1.903 1.00 0.00 O ATOM 23 H ASP A 2 3.898 0.704 -0.103 1.00 0.00 H ATOM 24 HA ASP A 2 3.578 3.356 0.963 1.00 0.00 H ATOM 25 1HB ASP A 2 5.889 1.953 -0.414 1.00 0.00 H ATOM 26 2HB ASP A 2 5.999 3.609 0.165 1.00 0.00 H ATOM 27 N GLU A 3 3.579 3.017 -2.283 1.00 0.00 N ATOM 28 CA GLU A 3 3.326 3.708 -3.542 1.00 0.00 C ATOM 29 C GLU A 3 1.989 4.438 -3.511 1.00 0.00 C ATOM 30 O GLU A 3 1.894 5.597 -3.913 1.00 0.00 O ATOM 31 CB GLU A 3 3.351 2.718 -4.708 1.00 0.00 C ATOM 32 CG GLU A 3 3.036 3.335 -6.064 1.00 0.00 C ATOM 33 CD GLU A 3 4.068 4.334 -6.506 1.00 0.00 C ATOM 34 OE1 GLU A 3 5.172 4.273 -6.021 1.00 0.00 O ATOM 35 OE2 GLU A 3 3.752 5.159 -7.331 1.00 0.00 O ATOM 36 H GLU A 3 3.626 2.008 -2.277 1.00 0.00 H ATOM 37 HA GLU A 3 4.119 4.439 -3.701 1.00 0.00 H ATOM 38 1HB GLU A 3 4.336 2.256 -4.772 1.00 0.00 H ATOM 39 2HB GLU A 3 2.628 1.923 -4.526 1.00 0.00 H ATOM 40 1HG GLU A 3 2.973 2.541 -6.807 1.00 0.00 H ATOM 41 2HG GLU A 3 2.063 3.823 -6.011 1.00 0.00 H ATOM 42 N ALA A 4 0.957 3.751 -3.032 1.00 0.00 N ATOM 43 CA ALA A 4 -0.356 4.362 -2.859 1.00 0.00 C ATOM 44 C ALA A 4 -0.296 5.530 -1.884 1.00 0.00 C ATOM 45 O ALA A 4 -0.931 6.563 -2.097 1.00 0.00 O ATOM 46 CB ALA A 4 -1.363 3.326 -2.382 1.00 0.00 C ATOM 47 H ALA A 4 1.085 2.781 -2.781 1.00 0.00 H ATOM 48 HA ALA A 4 -0.695 4.731 -3.827 1.00 0.00 H ATOM 49 1HB ALA A 4 -2.338 3.797 -2.258 1.00 0.00 H ATOM 50 2HB ALA A 4 -1.438 2.525 -3.118 1.00 0.00 H ATOM 51 3HB ALA A 4 -1.036 2.913 -1.429 1.00 0.00 H ATOM 52 N ARG A 5 0.472 5.362 -0.813 1.00 0.00 N ATOM 53 CA ARG A 5 0.670 6.426 0.164 1.00 0.00 C ATOM 54 C ARG A 5 1.279 7.663 -0.485 1.00 0.00 C ATOM 55 O ARG A 5 0.830 8.784 -0.249 1.00 0.00 O ATOM 56 CB ARG A 5 1.572 5.955 1.295 1.00 0.00 C ATOM 57 CG ARG A 5 0.926 4.976 2.262 1.00 0.00 C ATOM 58 CD ARG A 5 1.908 4.441 3.240 1.00 0.00 C ATOM 59 NE ARG A 5 1.271 3.611 4.250 1.00 0.00 N ATOM 60 CZ ARG A 5 1.925 2.765 5.068 1.00 0.00 C ATOM 61 NH1 ARG A 5 3.232 2.648 4.985 1.00 0.00 N ATOM 62 NH2 ARG A 5 1.253 2.052 5.956 1.00 0.00 N ATOM 63 H ARG A 5 0.931 4.473 -0.671 1.00 0.00 H ATOM 64 HA ARG A 5 -0.300 6.694 0.585 1.00 0.00 H ATOM 65 1HB ARG A 5 2.455 5.472 0.878 1.00 0.00 H ATOM 66 2HB ARG A 5 1.911 6.815 1.872 1.00 0.00 H ATOM 67 1HG ARG A 5 0.132 5.481 2.814 1.00 0.00 H ATOM 68 2HG ARG A 5 0.505 4.138 1.706 1.00 0.00 H ATOM 69 1HD ARG A 5 2.648 3.836 2.718 1.00 0.00 H ATOM 70 2HD ARG A 5 2.406 5.269 3.744 1.00 0.00 H ATOM 71 HE ARG A 5 0.266 3.674 4.344 1.00 0.00 H ATOM 72 1HH1 ARG A 5 3.745 3.193 4.306 1.00 0.00 H ATOM 73 2HH1 ARG A 5 3.722 2.013 5.598 1.00 0.00 H ATOM 74 1HH2 ARG A 5 0.249 2.142 6.020 1.00 0.00 H ATOM 75 2HH2 ARG A 5 1.744 1.418 6.569 1.00 0.00 H ATOM 76 N ARG A 6 2.303 7.451 -1.305 1.00 0.00 N ATOM 77 CA ARG A 6 2.970 8.547 -1.997 1.00 0.00 C ATOM 78 C ARG A 6 2.029 9.233 -2.980 1.00 0.00 C ATOM 79 O ARG A 6 1.998 10.460 -3.072 1.00 0.00 O ATOM 80 CB ARG A 6 4.197 8.043 -2.742 1.00 0.00 C ATOM 81 CG ARG A 6 5.384 7.696 -1.857 1.00 0.00 C ATOM 82 CD ARG A 6 6.612 7.451 -2.657 1.00 0.00 C ATOM 83 NE ARG A 6 6.518 6.225 -3.434 1.00 0.00 N ATOM 84 CZ ARG A 6 6.916 5.013 -3.001 1.00 0.00 C ATOM 85 NH1 ARG A 6 7.431 4.881 -1.799 1.00 0.00 N ATOM 86 NH2 ARG A 6 6.788 3.957 -3.785 1.00 0.00 N ATOM 87 H ARG A 6 2.627 6.506 -1.453 1.00 0.00 H ATOM 88 HA ARG A 6 3.294 9.278 -1.255 1.00 0.00 H ATOM 89 1HB ARG A 6 3.936 7.150 -3.309 1.00 0.00 H ATOM 90 2HB ARG A 6 4.527 8.799 -3.454 1.00 0.00 H ATOM 91 1HG ARG A 6 5.580 8.520 -1.171 1.00 0.00 H ATOM 92 2HG ARG A 6 5.161 6.793 -1.286 1.00 0.00 H ATOM 93 1HD ARG A 6 6.768 8.280 -3.346 1.00 0.00 H ATOM 94 2HD ARG A 6 7.469 7.367 -1.991 1.00 0.00 H ATOM 95 HE ARG A 6 6.126 6.287 -4.364 1.00 0.00 H ATOM 96 1HH1 ARG A 6 7.529 5.688 -1.200 1.00 0.00 H ATOM 97 2HH1 ARG A 6 7.730 3.972 -1.475 1.00 0.00 H ATOM 98 1HH2 ARG A 6 6.391 4.059 -4.710 1.00 0.00 H ATOM 99 2HH2 ARG A 6 7.086 3.049 -3.462 1.00 0.00 H ATOM 100 N ARG A 7 1.262 8.432 -3.713 1.00 0.00 N ATOM 101 CA ARG A 7 0.351 8.958 -4.722 1.00 0.00 C ATOM 102 C ARG A 7 -0.748 9.800 -4.086 1.00 0.00 C ATOM 103 O ARG A 7 -1.123 10.849 -4.612 1.00 0.00 O ATOM 104 CB ARG A 7 -0.280 7.824 -5.516 1.00 0.00 C ATOM 105 CG ARG A 7 0.664 7.110 -6.471 1.00 0.00 C ATOM 106 CD ARG A 7 -0.020 6.013 -7.201 1.00 0.00 C ATOM 107 NE ARG A 7 0.896 5.280 -8.061 1.00 0.00 N ATOM 108 CZ ARG A 7 0.517 4.472 -9.070 1.00 0.00 C ATOM 109 NH1 ARG A 7 -0.760 4.305 -9.335 1.00 0.00 N ATOM 110 NH2 ARG A 7 1.429 3.849 -9.795 1.00 0.00 N ATOM 111 H ARG A 7 1.313 7.434 -3.567 1.00 0.00 H ATOM 112 HA ARG A 7 0.919 9.586 -5.409 1.00 0.00 H ATOM 113 1HB ARG A 7 -0.681 7.079 -4.831 1.00 0.00 H ATOM 114 2HB ARG A 7 -1.113 8.211 -6.104 1.00 0.00 H ATOM 115 1HG ARG A 7 1.048 7.822 -7.203 1.00 0.00 H ATOM 116 2HG ARG A 7 1.495 6.683 -5.909 1.00 0.00 H ATOM 117 1HD ARG A 7 -0.450 5.313 -6.486 1.00 0.00 H ATOM 118 2HD ARG A 7 -0.812 6.428 -7.823 1.00 0.00 H ATOM 119 HE ARG A 7 1.887 5.383 -7.888 1.00 0.00 H ATOM 120 1HH1 ARG A 7 -1.457 4.782 -8.780 1.00 0.00 H ATOM 121 2HH1 ARG A 7 -1.043 3.700 -10.091 1.00 0.00 H ATOM 122 1HH2 ARG A 7 2.411 3.977 -9.592 1.00 0.00 H ATOM 123 2HH2 ARG A 7 1.146 3.244 -10.552 1.00 0.00 H ATOM 124 N ALA A 8 -1.261 9.336 -2.952 1.00 0.00 N ATOM 125 CA ALA A 8 -2.275 10.076 -2.210 1.00 0.00 C ATOM 126 C ALA A 8 -1.768 11.455 -1.808 1.00 0.00 C ATOM 127 O ALA A 8 -2.477 12.452 -1.943 1.00 0.00 O ATOM 128 CB ALA A 8 -2.709 9.292 -0.980 1.00 0.00 C ATOM 129 H ALA A 8 -0.940 8.448 -2.594 1.00 0.00 H ATOM 130 HA ALA A 8 -3.151 10.198 -2.849 1.00 0.00 H ATOM 131 1HB ALA A 8 -3.467 9.857 -0.437 1.00 0.00 H ATOM 132 2HB ALA A 8 -3.124 8.332 -1.288 1.00 0.00 H ATOM 133 3HB ALA A 8 -1.849 9.125 -0.334 1.00 0.00 H ATOM 134 N LYS A 9 -0.536 11.505 -1.313 1.00 0.00 N ATOM 135 CA LYS A 9 0.096 12.769 -0.956 1.00 0.00 C ATOM 136 C LYS A 9 0.210 13.689 -2.165 1.00 0.00 C ATOM 137 O LYS A 9 -0.102 14.877 -2.086 1.00 0.00 O ATOM 138 CB LYS A 9 1.478 12.525 -0.348 1.00 0.00 C ATOM 139 CG LYS A 9 2.201 13.789 0.098 1.00 0.00 C ATOM 140 CD LYS A 9 3.540 13.462 0.742 1.00 0.00 C ATOM 141 CE LYS A 9 4.285 14.726 1.145 1.00 0.00 C ATOM 142 NZ LYS A 9 5.606 14.421 1.758 1.00 0.00 N ATOM 143 H LYS A 9 -0.023 10.644 -1.181 1.00 0.00 H ATOM 144 HA LYS A 9 -0.518 13.261 -0.200 1.00 0.00 H ATOM 145 1HB LYS A 9 1.384 11.870 0.518 1.00 0.00 H ATOM 146 2HB LYS A 9 2.111 12.017 -1.076 1.00 0.00 H ATOM 147 1HG LYS A 9 2.370 14.436 -0.764 1.00 0.00 H ATOM 148 2HG LYS A 9 1.583 14.327 0.817 1.00 0.00 H ATOM 149 1HD LYS A 9 3.377 12.847 1.629 1.00 0.00 H ATOM 150 2HD LYS A 9 4.153 12.899 0.039 1.00 0.00 H ATOM 151 1HE LYS A 9 4.441 15.351 0.268 1.00 0.00 H ATOM 152 2HE LYS A 9 3.687 15.287 1.863 1.00 0.00 H ATOM 153 1HZ LYS A 9 6.067 15.284 2.012 1.00 0.00 H ATOM 154 2HZ LYS A 9 5.472 13.856 2.585 1.00 0.00 H ATOM 155 3HZ LYS A 9 6.177 13.917 1.095 1.00 0.00 H ATOM 156 N LYS A 10 0.660 13.132 -3.285 1.00 0.00 N ATOM 157 CA LYS A 10 0.829 13.904 -4.510 1.00 0.00 C ATOM 158 C LYS A 10 -0.493 14.508 -4.967 1.00 0.00 C ATOM 159 O LYS A 10 -0.541 15.654 -5.415 1.00 0.00 O ATOM 160 CB LYS A 10 1.418 13.029 -5.618 1.00 0.00 C ATOM 161 CG LYS A 10 2.881 12.656 -5.414 1.00 0.00 C ATOM 162 CD LYS A 10 3.386 11.766 -6.539 1.00 0.00 C ATOM 163 CE LYS A 10 4.848 11.396 -6.340 1.00 0.00 C ATOM 164 NZ LYS A 10 5.360 10.535 -7.440 1.00 0.00 N ATOM 165 H LYS A 10 0.892 12.149 -3.287 1.00 0.00 H ATOM 166 HA LYS A 10 1.534 14.713 -4.315 1.00 0.00 H ATOM 167 1HB LYS A 10 0.845 12.104 -5.694 1.00 0.00 H ATOM 168 2HB LYS A 10 1.334 13.546 -6.574 1.00 0.00 H ATOM 169 1HG LYS A 10 3.486 13.563 -5.381 1.00 0.00 H ATOM 170 2HG LYS A 10 2.994 12.130 -4.467 1.00 0.00 H ATOM 171 1HD LYS A 10 2.790 10.852 -6.576 1.00 0.00 H ATOM 172 2HD LYS A 10 3.279 12.286 -7.491 1.00 0.00 H ATOM 173 1HE LYS A 10 5.450 12.303 -6.295 1.00 0.00 H ATOM 174 2HE LYS A 10 4.964 10.863 -5.396 1.00 0.00 H ATOM 175 1HZ LYS A 10 6.331 10.312 -7.271 1.00 0.00 H ATOM 176 2HZ LYS A 10 4.821 9.681 -7.479 1.00 0.00 H ATOM 177 3HZ LYS A 10 5.276 11.026 -8.319 1.00 0.00 H ATOM 178 N LEU A 11 -1.564 13.731 -4.851 1.00 0.00 N ATOM 179 CA LEU A 11 -2.888 14.185 -5.259 1.00 0.00 C ATOM 180 C LEU A 11 -3.382 15.315 -4.365 1.00 0.00 C ATOM 181 O LEU A 11 -4.031 16.250 -4.833 1.00 0.00 O ATOM 182 CB LEU A 11 -3.884 13.019 -5.219 1.00 0.00 C ATOM 183 CG LEU A 11 -3.687 11.939 -6.289 1.00 0.00 C ATOM 184 CD1 LEU A 11 -4.644 10.783 -6.027 1.00 0.00 C ATOM 185 CD2 LEU A 11 -3.921 12.540 -7.667 1.00 0.00 C ATOM 186 H LEU A 11 -1.458 12.801 -4.471 1.00 0.00 H ATOM 187 HA LEU A 11 -2.827 14.551 -6.285 1.00 0.00 H ATOM 188 1HB LEU A 11 -3.815 12.537 -4.245 1.00 0.00 H ATOM 189 2HB LEU A 11 -4.892 13.419 -5.332 1.00 0.00 H ATOM 190 HG LEU A 11 -2.671 11.549 -6.231 1.00 0.00 H ATOM 191 1HD1 LEU A 11 -4.504 10.015 -6.788 1.00 0.00 H ATOM 192 2HD1 LEU A 11 -4.442 10.359 -5.044 1.00 0.00 H ATOM 193 3HD1 LEU A 11 -5.671 11.146 -6.063 1.00 0.00 H ATOM 194 1HD2 LEU A 11 -3.781 11.772 -8.428 1.00 0.00 H ATOM 195 2HD2 LEU A 11 -4.938 12.929 -7.727 1.00 0.00 H ATOM 196 3HD2 LEU A 11 -3.212 13.351 -7.835 1.00 0.00 H ATOM 197 N LEU A 12 -3.071 15.222 -3.077 1.00 0.00 N ATOM 198 CA LEU A 12 -3.379 16.292 -2.135 1.00 0.00 C ATOM 199 C LEU A 12 -2.600 17.559 -2.468 1.00 0.00 C ATOM 200 O LEU A 12 -3.116 18.669 -2.336 1.00 0.00 O ATOM 201 CB LEU A 12 -3.056 15.848 -0.703 1.00 0.00 C ATOM 202 CG LEU A 12 -3.996 14.793 -0.107 1.00 0.00 C ATOM 203 CD1 LEU A 12 -3.454 14.332 1.240 1.00 0.00 C ATOM 204 CD2 LEU A 12 -5.392 15.380 0.037 1.00 0.00 C ATOM 205 H LEU A 12 -2.610 14.389 -2.741 1.00 0.00 H ATOM 206 HA LEU A 12 -4.445 16.511 -2.197 1.00 0.00 H ATOM 207 1HB LEU A 12 -2.047 15.440 -0.685 1.00 0.00 H ATOM 208 2HB LEU A 12 -3.084 16.722 -0.053 1.00 0.00 H ATOM 209 HG LEU A 12 -4.034 13.924 -0.765 1.00 0.00 H ATOM 210 1HD1 LEU A 12 -4.122 13.582 1.664 1.00 0.00 H ATOM 211 2HD1 LEU A 12 -2.463 13.899 1.104 1.00 0.00 H ATOM 212 3HD1 LEU A 12 -3.390 15.184 1.916 1.00 0.00 H ATOM 213 1HD2 LEU A 12 -6.061 14.629 0.461 1.00 0.00 H ATOM 214 2HD2 LEU A 12 -5.356 16.247 0.697 1.00 0.00 H ATOM 215 3HD2 LEU A 12 -5.762 15.684 -0.942 1.00 0.00 H ATOM 216 N GLU A 13 -1.356 17.386 -2.900 1.00 0.00 N ATOM 217 CA GLU A 13 -0.535 18.508 -3.341 1.00 0.00 C ATOM 218 C GLU A 13 -1.100 19.138 -4.607 1.00 0.00 C ATOM 219 O GLU A 13 -1.055 20.357 -4.779 1.00 0.00 O ATOM 220 CB GLU A 13 0.905 18.052 -3.585 1.00 0.00 C ATOM 221 CG GLU A 13 1.669 17.681 -2.322 1.00 0.00 C ATOM 222 CD GLU A 13 3.033 17.117 -2.608 1.00 0.00 C ATOM 223 OE1 GLU A 13 3.320 16.856 -3.752 1.00 0.00 O ATOM 224 OE2 GLU A 13 3.790 16.947 -1.681 1.00 0.00 O ATOM 225 H GLU A 13 -0.968 16.454 -2.923 1.00 0.00 H ATOM 226 HA GLU A 13 -0.524 19.260 -2.551 1.00 0.00 H ATOM 227 1HB GLU A 13 0.905 17.183 -4.243 1.00 0.00 H ATOM 228 2HB GLU A 13 1.457 18.845 -4.089 1.00 0.00 H ATOM 229 1HG GLU A 13 1.779 18.570 -1.702 1.00 0.00 H ATOM 230 2HG GLU A 13 1.090 16.949 -1.761 1.00 0.00 H ATOM 231 N LYS A 14 -1.631 18.302 -5.493 1.00 0.00 N ATOM 232 CA LYS A 14 -2.277 18.782 -6.708 1.00 0.00 C ATOM 233 C LYS A 14 -3.588 19.490 -6.392 1.00 0.00 C ATOM 234 O LYS A 14 -3.989 20.419 -7.094 1.00 0.00 O ATOM 235 CB LYS A 14 -2.525 17.624 -7.676 1.00 0.00 C ATOM 236 CG LYS A 14 -1.264 17.059 -8.317 1.00 0.00 C ATOM 237 CD LYS A 14 -1.587 15.895 -9.241 1.00 0.00 C ATOM 238 CE LYS A 14 -0.328 15.323 -9.874 1.00 0.00 C ATOM 239 NZ LYS A 14 -0.629 14.184 -10.783 1.00 0.00 N ATOM 240 H LYS A 14 -1.585 17.308 -5.319 1.00 0.00 H ATOM 241 HA LYS A 14 -1.616 19.504 -7.190 1.00 0.00 H ATOM 242 1HB LYS A 14 -3.026 16.811 -7.151 1.00 0.00 H ATOM 243 2HB LYS A 14 -3.187 17.954 -8.477 1.00 0.00 H ATOM 244 1HG LYS A 14 -0.766 17.841 -8.892 1.00 0.00 H ATOM 245 2HG LYS A 14 -0.583 16.716 -7.539 1.00 0.00 H ATOM 246 1HD LYS A 14 -2.089 15.109 -8.675 1.00 0.00 H ATOM 247 2HD LYS A 14 -2.258 16.233 -10.031 1.00 0.00 H ATOM 248 1HE LYS A 14 0.179 16.101 -10.443 1.00 0.00 H ATOM 249 2HE LYS A 14 0.348 14.977 -9.092 1.00 0.00 H ATOM 250 1HZ LYS A 14 0.230 13.833 -11.181 1.00 0.00 H ATOM 251 2HZ LYS A 14 -1.083 13.447 -10.261 1.00 0.00 H ATOM 252 3HZ LYS A 14 -1.240 14.496 -11.524 1.00 0.00 H ATOM 253 N GLY A 15 -4.254 19.045 -5.331 1.00 0.00 N ATOM 254 CA GLY A 15 -5.453 19.715 -4.843 1.00 0.00 C ATOM 255 C GLY A 15 -6.700 18.886 -5.123 1.00 0.00 C ATOM 256 O GLY A 15 -7.754 19.426 -5.458 1.00 0.00 O ATOM 257 H GLY A 15 -3.920 18.222 -4.851 1.00 0.00 H ATOM 258 1HA GLY A 15 -5.362 19.891 -3.771 1.00 0.00 H ATOM 259 2HA GLY A 15 -5.546 20.690 -5.322 1.00 0.00 H ATOM 260 N TYR A 16 -6.573 17.570 -4.983 1.00 0.00 N ATOM 261 CA TYR A 16 -7.704 16.668 -5.162 1.00 0.00 C ATOM 262 C TYR A 16 -8.324 16.291 -3.822 1.00 0.00 C ATOM 263 O TYR A 16 -7.642 16.263 -2.798 1.00 0.00 O ATOM 264 CB TYR A 16 -7.272 15.411 -5.920 1.00 0.00 C ATOM 265 CG TYR A 16 -6.979 15.651 -7.384 1.00 0.00 C ATOM 266 CD1 TYR A 16 -5.666 15.729 -7.825 1.00 0.00 C ATOM 267 CD2 TYR A 16 -8.023 15.794 -8.286 1.00 0.00 C ATOM 268 CE1 TYR A 16 -5.398 15.949 -9.162 1.00 0.00 C ATOM 269 CE2 TYR A 16 -7.755 16.014 -9.623 1.00 0.00 C ATOM 270 CZ TYR A 16 -6.449 16.091 -10.061 1.00 0.00 C ATOM 271 OH TYR A 16 -6.182 16.310 -11.393 1.00 0.00 O ATOM 272 H TYR A 16 -5.669 17.186 -4.748 1.00 0.00 H ATOM 273 HA TYR A 16 -8.468 17.182 -5.746 1.00 0.00 H ATOM 274 1HB TYR A 16 -6.376 14.997 -5.456 1.00 0.00 H ATOM 275 2HB TYR A 16 -8.055 14.657 -5.849 1.00 0.00 H ATOM 276 HD1 TYR A 16 -4.845 15.617 -7.116 1.00 0.00 H ATOM 277 HD2 TYR A 16 -9.055 15.734 -7.939 1.00 0.00 H ATOM 278 HE1 TYR A 16 -4.367 16.010 -9.508 1.00 0.00 H ATOM 279 HE2 TYR A 16 -8.576 16.127 -10.332 1.00 0.00 H ATOM 280 HH TYR A 16 -7.009 16.373 -11.878 1.00 0.00 H ATOM 281 N SER A 17 -9.621 16.000 -3.837 1.00 0.00 N ATOM 282 CA SER A 17 -10.337 15.634 -2.621 1.00 0.00 C ATOM 283 C SER A 17 -9.982 14.221 -2.176 1.00 0.00 C ATOM 284 O SER A 17 -9.442 13.433 -2.952 1.00 0.00 O ATOM 285 CB SER A 17 -11.833 15.743 -2.845 1.00 0.00 C ATOM 286 OG SER A 17 -12.281 14.756 -3.733 1.00 0.00 O ATOM 287 H SER A 17 -10.122 16.034 -4.713 1.00 0.00 H ATOM 288 HA SER A 17 -10.044 16.321 -1.827 1.00 0.00 H ATOM 289 1HB SER A 17 -12.352 15.640 -1.892 1.00 0.00 H ATOM 290 2HB SER A 17 -12.071 16.729 -3.242 1.00 0.00 H ATOM 291 HG SER A 17 -12.973 15.166 -4.257 1.00 0.00 H ATOM 292 N GLU A 18 -10.288 13.907 -0.922 1.00 0.00 N ATOM 293 CA GLU A 18 -10.042 12.574 -0.384 1.00 0.00 C ATOM 294 C GLU A 18 -10.858 11.522 -1.124 1.00 0.00 C ATOM 295 O GLU A 18 -10.384 10.413 -1.367 1.00 0.00 O ATOM 296 CB GLU A 18 -10.371 12.533 1.109 1.00 0.00 C ATOM 297 CG GLU A 18 -9.432 13.352 1.983 1.00 0.00 C ATOM 298 CD GLU A 18 -9.819 13.334 3.436 1.00 0.00 C ATOM 299 OE1 GLU A 18 -10.776 12.677 3.768 1.00 0.00 O ATOM 300 OE2 GLU A 18 -9.158 13.980 4.214 1.00 0.00 O ATOM 301 H GLU A 18 -10.703 14.609 -0.326 1.00 0.00 H ATOM 302 HA GLU A 18 -8.983 12.343 -0.505 1.00 0.00 H ATOM 303 1HB GLU A 18 -11.384 12.902 1.269 1.00 0.00 H ATOM 304 2HB GLU A 18 -10.340 11.501 1.460 1.00 0.00 H ATOM 305 1HG GLU A 18 -8.421 12.955 1.884 1.00 0.00 H ATOM 306 2HG GLU A 18 -9.425 14.381 1.626 1.00 0.00 H ATOM 307 N ASP A 19 -12.088 11.877 -1.479 1.00 0.00 N ATOM 308 CA ASP A 19 -12.960 10.977 -2.224 1.00 0.00 C ATOM 309 C ASP A 19 -12.366 10.634 -3.584 1.00 0.00 C ATOM 310 O ASP A 19 -12.403 9.482 -4.016 1.00 0.00 O ATOM 311 CB ASP A 19 -14.345 11.603 -2.409 1.00 0.00 C ATOM 312 CG ASP A 19 -15.146 11.663 -1.115 1.00 0.00 C ATOM 313 OD1 ASP A 19 -14.766 11.008 -0.174 1.00 0.00 O ATOM 314 OD2 ASP A 19 -16.129 12.364 -1.081 1.00 0.00 O ATOM 315 H ASP A 19 -12.428 12.794 -1.226 1.00 0.00 H ATOM 316 HA ASP A 19 -13.078 10.056 -1.651 1.00 0.00 H ATOM 317 1HB ASP A 19 -14.238 12.615 -2.800 1.00 0.00 H ATOM 318 2HB ASP A 19 -14.910 11.026 -3.142 1.00 0.00 H ATOM 319 N TYR A 20 -11.818 11.641 -4.255 1.00 0.00 N ATOM 320 CA TYR A 20 -11.106 11.429 -5.510 1.00 0.00 C ATOM 321 C TYR A 20 -9.943 10.463 -5.327 1.00 0.00 C ATOM 322 O TYR A 20 -9.776 9.523 -6.104 1.00 0.00 O ATOM 323 CB TYR A 20 -10.607 12.761 -6.074 1.00 0.00 C ATOM 324 CG TYR A 20 -9.803 12.621 -7.348 1.00 0.00 C ATOM 325 CD1 TYR A 20 -10.415 12.812 -8.579 1.00 0.00 C ATOM 326 CD2 TYR A 20 -8.455 12.301 -7.287 1.00 0.00 C ATOM 327 CE1 TYR A 20 -9.681 12.684 -9.742 1.00 0.00 C ATOM 328 CE2 TYR A 20 -7.721 12.173 -8.450 1.00 0.00 C ATOM 329 CZ TYR A 20 -8.330 12.363 -9.674 1.00 0.00 C ATOM 330 OH TYR A 20 -7.599 12.236 -10.833 1.00 0.00 O ATOM 331 H TYR A 20 -11.896 12.579 -3.886 1.00 0.00 H ATOM 332 HA TYR A 20 -11.802 11.005 -6.235 1.00 0.00 H ATOM 333 1HB TYR A 20 -11.458 13.412 -6.278 1.00 0.00 H ATOM 334 2HB TYR A 20 -9.983 13.259 -5.332 1.00 0.00 H ATOM 335 HD1 TYR A 20 -11.475 13.062 -8.627 1.00 0.00 H ATOM 336 HD2 TYR A 20 -7.974 12.150 -6.320 1.00 0.00 H ATOM 337 HE1 TYR A 20 -10.162 12.834 -10.709 1.00 0.00 H ATOM 338 HE2 TYR A 20 -6.662 11.922 -8.401 1.00 0.00 H ATOM 339 HH TYR A 20 -6.683 12.050 -10.613 1.00 0.00 H ATOM 340 N ILE A 21 -9.140 10.700 -4.295 1.00 0.00 N ATOM 341 CA ILE A 21 -7.967 9.875 -4.031 1.00 0.00 C ATOM 342 C ILE A 21 -8.354 8.416 -3.831 1.00 0.00 C ATOM 343 O ILE A 21 -7.725 7.515 -4.385 1.00 0.00 O ATOM 344 CB ILE A 21 -7.208 10.381 -2.791 1.00 0.00 C ATOM 345 CG1 ILE A 21 -6.593 11.755 -3.065 1.00 0.00 C ATOM 346 CG2 ILE A 21 -6.133 9.385 -2.383 1.00 0.00 C ATOM 347 CD1 ILE A 21 -6.091 12.458 -1.824 1.00 0.00 C ATOM 348 H ILE A 21 -9.348 11.472 -3.678 1.00 0.00 H ATOM 349 HA ILE A 21 -7.296 9.944 -4.888 1.00 0.00 H ATOM 350 HB ILE A 21 -7.906 10.507 -1.964 1.00 0.00 H ATOM 351 1HG1 ILE A 21 -5.759 11.649 -3.758 1.00 0.00 H ATOM 352 2HG1 ILE A 21 -7.334 12.397 -3.542 1.00 0.00 H ATOM 353 1HG2 ILE A 21 -5.606 9.758 -1.505 1.00 0.00 H ATOM 354 2HG2 ILE A 21 -6.596 8.427 -2.148 1.00 0.00 H ATOM 355 3HG2 ILE A 21 -5.427 9.256 -3.203 1.00 0.00 H ATOM 356 1HD1 ILE A 21 -5.670 13.425 -2.099 1.00 0.00 H ATOM 357 2HD1 ILE A 21 -6.919 12.607 -1.130 1.00 0.00 H ATOM 358 3HD1 ILE A 21 -5.322 11.851 -1.348 1.00 0.00 H ATOM 359 N ARG A 22 -9.394 8.188 -3.035 1.00 0.00 N ATOM 360 CA ARG A 22 -9.871 6.837 -2.765 1.00 0.00 C ATOM 361 C ARG A 22 -10.262 6.124 -4.053 1.00 0.00 C ATOM 362 O ARG A 22 -9.825 5.002 -4.310 1.00 0.00 O ATOM 363 CB ARG A 22 -11.066 6.870 -1.824 1.00 0.00 C ATOM 364 CG ARG A 22 -10.743 7.273 -0.394 1.00 0.00 C ATOM 365 CD ARG A 22 -11.931 7.160 0.490 1.00 0.00 C ATOM 366 NE ARG A 22 -11.666 7.675 1.824 1.00 0.00 N ATOM 367 CZ ARG A 22 -11.990 8.914 2.244 1.00 0.00 C ATOM 368 NH1 ARG A 22 -12.589 9.750 1.426 1.00 0.00 N ATOM 369 NH2 ARG A 22 -11.705 9.288 3.479 1.00 0.00 N ATOM 370 H ARG A 22 -9.866 8.972 -2.607 1.00 0.00 H ATOM 371 HA ARG A 22 -9.069 6.277 -2.284 1.00 0.00 H ATOM 372 1HB ARG A 22 -11.809 7.570 -2.204 1.00 0.00 H ATOM 373 2HB ARG A 22 -11.531 5.884 -1.792 1.00 0.00 H ATOM 374 1HG ARG A 22 -9.960 6.624 -0.001 1.00 0.00 H ATOM 375 2HG ARG A 22 -10.399 8.308 -0.376 1.00 0.00 H ATOM 376 1HD ARG A 22 -12.757 7.729 0.064 1.00 0.00 H ATOM 377 2HD ARG A 22 -12.220 6.114 0.580 1.00 0.00 H ATOM 378 HE ARG A 22 -11.206 7.061 2.482 1.00 0.00 H ATOM 379 1HH1 ARG A 22 -12.807 9.464 0.482 1.00 0.00 H ATOM 380 2HH1 ARG A 22 -12.831 10.678 1.741 1.00 0.00 H ATOM 381 1HH2 ARG A 22 -11.244 8.645 4.109 1.00 0.00 H ATOM 382 2HH2 ARG A 22 -11.947 10.215 3.794 1.00 0.00 H ATOM 383 N GLU A 23 -11.089 6.780 -4.860 1.00 0.00 N ATOM 384 CA GLU A 23 -11.510 6.226 -6.141 1.00 0.00 C ATOM 385 C GLU A 23 -10.315 5.974 -7.051 1.00 0.00 C ATOM 386 O GLU A 23 -10.186 4.900 -7.639 1.00 0.00 O ATOM 387 CB GLU A 23 -12.499 7.168 -6.831 1.00 0.00 C ATOM 388 CG GLU A 23 -12.989 6.682 -8.187 1.00 0.00 C ATOM 389 CD GLU A 23 -13.950 7.637 -8.839 1.00 0.00 C ATOM 390 OE1 GLU A 23 -14.381 8.556 -8.184 1.00 0.00 O ATOM 391 OE2 GLU A 23 -14.254 7.448 -9.993 1.00 0.00 O ATOM 392 H GLU A 23 -11.434 7.687 -4.578 1.00 0.00 H ATOM 393 HA GLU A 23 -12.017 5.278 -5.958 1.00 0.00 H ATOM 394 1HB GLU A 23 -13.371 7.312 -6.192 1.00 0.00 H ATOM 395 2HB GLU A 23 -12.034 8.144 -6.973 1.00 0.00 H ATOM 396 1HG GLU A 23 -12.131 6.544 -8.844 1.00 0.00 H ATOM 397 2HG GLU A 23 -13.474 5.715 -8.061 1.00 0.00 H ATOM 398 N TYR A 24 -9.443 6.969 -7.164 1.00 0.00 N ATOM 399 CA TYR A 24 -8.253 6.855 -7.999 1.00 0.00 C ATOM 400 C TYR A 24 -7.443 5.617 -7.638 1.00 0.00 C ATOM 401 O TYR A 24 -7.122 4.799 -8.500 1.00 0.00 O ATOM 402 CB TYR A 24 -7.388 8.111 -7.873 1.00 0.00 C ATOM 403 CG TYR A 24 -6.062 8.013 -8.594 1.00 0.00 C ATOM 404 CD1 TYR A 24 -5.981 8.328 -9.943 1.00 0.00 C ATOM 405 CD2 TYR A 24 -4.926 7.609 -7.907 1.00 0.00 C ATOM 406 CE1 TYR A 24 -4.770 8.239 -10.601 1.00 0.00 C ATOM 407 CE2 TYR A 24 -3.716 7.520 -8.566 1.00 0.00 C ATOM 408 CZ TYR A 24 -3.635 7.833 -9.907 1.00 0.00 C ATOM 409 OH TYR A 24 -2.429 7.745 -10.564 1.00 0.00 O ATOM 410 H TYR A 24 -9.608 7.828 -6.658 1.00 0.00 H ATOM 411 HA TYR A 24 -8.568 6.775 -9.041 1.00 0.00 H ATOM 412 1HB TYR A 24 -7.930 8.969 -8.272 1.00 0.00 H ATOM 413 2HB TYR A 24 -7.188 8.310 -6.820 1.00 0.00 H ATOM 414 HD1 TYR A 24 -6.873 8.645 -10.483 1.00 0.00 H ATOM 415 HD2 TYR A 24 -4.990 7.361 -6.848 1.00 0.00 H ATOM 416 HE1 TYR A 24 -4.706 8.486 -11.661 1.00 0.00 H ATOM 417 HE2 TYR A 24 -2.823 7.202 -8.026 1.00 0.00 H ATOM 418 HH TYR A 24 -2.544 8.008 -11.480 1.00 0.00 H ATOM 419 N LEU A 25 -7.116 5.484 -6.357 1.00 0.00 N ATOM 420 CA LEU A 25 -6.273 4.389 -5.892 1.00 0.00 C ATOM 421 C LEU A 25 -6.952 3.042 -6.104 1.00 0.00 C ATOM 422 O LEU A 25 -6.302 2.055 -6.449 1.00 0.00 O ATOM 423 CB LEU A 25 -5.939 4.571 -4.406 1.00 0.00 C ATOM 424 CG LEU A 25 -5.008 5.745 -4.072 1.00 0.00 C ATOM 425 CD1 LEU A 25 -4.881 5.879 -2.561 1.00 0.00 C ATOM 426 CD2 LEU A 25 -3.649 5.514 -4.717 1.00 0.00 C ATOM 427 H LEU A 25 -7.459 6.158 -5.688 1.00 0.00 H ATOM 428 HA LEU A 25 -5.341 4.404 -6.459 1.00 0.00 H ATOM 429 1HB LEU A 25 -6.867 4.719 -3.857 1.00 0.00 H ATOM 430 2HB LEU A 25 -5.466 3.660 -4.041 1.00 0.00 H ATOM 431 HG LEU A 25 -5.439 6.671 -4.455 1.00 0.00 H ATOM 432 1HD1 LEU A 25 -4.220 6.713 -2.324 1.00 0.00 H ATOM 433 2HD1 LEU A 25 -5.865 6.063 -2.128 1.00 0.00 H ATOM 434 3HD1 LEU A 25 -4.468 4.960 -2.148 1.00 0.00 H ATOM 435 1HD2 LEU A 25 -2.988 6.348 -4.481 1.00 0.00 H ATOM 436 2HD2 LEU A 25 -3.217 4.589 -4.334 1.00 0.00 H ATOM 437 3HD2 LEU A 25 -3.767 5.439 -5.798 1.00 0.00 H ATOM 438 N LYS A 26 -8.264 3.007 -5.895 1.00 0.00 N ATOM 439 CA LYS A 26 -9.050 1.809 -6.160 1.00 0.00 C ATOM 440 C LYS A 26 -8.944 1.392 -7.621 1.00 0.00 C ATOM 441 O LYS A 26 -8.834 0.206 -7.932 1.00 0.00 O ATOM 442 CB LYS A 26 -10.515 2.035 -5.783 1.00 0.00 C ATOM 443 CG LYS A 26 -10.782 2.060 -4.284 1.00 0.00 C ATOM 444 CD LYS A 26 -12.244 2.362 -3.988 1.00 0.00 C ATOM 445 CE LYS A 26 -12.498 2.458 -2.491 1.00 0.00 C ATOM 446 NZ LYS A 26 -13.927 2.739 -2.186 1.00 0.00 N ATOM 447 H LYS A 26 -8.728 3.833 -5.544 1.00 0.00 H ATOM 448 HA LYS A 26 -8.668 0.999 -5.537 1.00 0.00 H ATOM 449 1HB LYS A 26 -10.856 2.983 -6.199 1.00 0.00 H ATOM 450 2HB LYS A 26 -11.129 1.247 -6.219 1.00 0.00 H ATOM 451 1HG LYS A 26 -10.525 1.092 -3.852 1.00 0.00 H ATOM 452 2HG LYS A 26 -10.161 2.823 -3.816 1.00 0.00 H ATOM 453 1HD LYS A 26 -12.523 3.307 -4.457 1.00 0.00 H ATOM 454 2HD LYS A 26 -12.870 1.572 -4.403 1.00 0.00 H ATOM 455 1HE LYS A 26 -12.214 1.522 -2.013 1.00 0.00 H ATOM 456 2HE LYS A 26 -11.886 3.255 -2.068 1.00 0.00 H ATOM 457 1HZ LYS A 26 -14.053 2.796 -1.185 1.00 0.00 H ATOM 458 2HZ LYS A 26 -14.196 3.616 -2.609 1.00 0.00 H ATOM 459 3HZ LYS A 26 -14.503 1.997 -2.556 1.00 0.00 H ATOM 460 N ARG A 27 -8.978 2.374 -8.515 1.00 0.00 N ATOM 461 CA ARG A 27 -8.828 2.116 -9.943 1.00 0.00 C ATOM 462 C ARG A 27 -7.413 1.659 -10.274 1.00 0.00 C ATOM 463 O ARG A 27 -7.182 1.022 -11.302 1.00 0.00 O ATOM 464 CB ARG A 27 -9.157 3.364 -10.749 1.00 0.00 C ATOM 465 CG ARG A 27 -10.626 3.758 -10.747 1.00 0.00 C ATOM 466 CD ARG A 27 -10.870 4.973 -11.567 1.00 0.00 C ATOM 467 NE ARG A 27 -12.253 5.414 -11.484 1.00 0.00 N ATOM 468 CZ ARG A 27 -13.261 4.911 -12.222 1.00 0.00 C ATOM 469 NH1 ARG A 27 -13.026 3.954 -13.091 1.00 0.00 N ATOM 470 NH2 ARG A 27 -14.488 5.382 -12.072 1.00 0.00 N ATOM 471 H ARG A 27 -9.110 3.324 -8.198 1.00 0.00 H ATOM 472 HA ARG A 27 -9.526 1.328 -10.227 1.00 0.00 H ATOM 473 1HB ARG A 27 -8.589 4.208 -10.361 1.00 0.00 H ATOM 474 2HB ARG A 27 -8.857 3.216 -11.787 1.00 0.00 H ATOM 475 1HG ARG A 27 -11.222 2.942 -11.157 1.00 0.00 H ATOM 476 2HG ARG A 27 -10.946 3.964 -9.725 1.00 0.00 H ATOM 477 1HD ARG A 27 -10.232 5.783 -11.215 1.00 0.00 H ATOM 478 2HD ARG A 27 -10.642 4.759 -12.610 1.00 0.00 H ATOM 479 HE ARG A 27 -12.473 6.150 -10.826 1.00 0.00 H ATOM 480 1HH1 ARG A 27 -12.089 3.594 -13.206 1.00 0.00 H ATOM 481 2HH1 ARG A 27 -13.782 3.577 -13.645 1.00 0.00 H ATOM 482 1HH2 ARG A 27 -14.668 6.118 -11.404 1.00 0.00 H ATOM 483 2HH2 ARG A 27 -15.243 5.005 -12.625 1.00 0.00 H ATOM 484 N GLN A 28 -6.470 1.989 -9.399 1.00 0.00 N ATOM 485 CA GLN A 28 -5.085 1.567 -9.570 1.00 0.00 C ATOM 486 C GLN A 28 -4.839 0.209 -8.925 1.00 0.00 C ATOM 487 O GLN A 28 -3.718 -0.300 -8.935 1.00 0.00 O ATOM 488 CB GLN A 28 -4.130 2.607 -8.977 1.00 0.00 C ATOM 489 CG GLN A 28 -4.169 3.956 -9.675 1.00 0.00 C ATOM 490 CD GLN A 28 -3.686 3.879 -11.111 1.00 0.00 C ATOM 491 OE1 GLN A 28 -2.552 3.471 -11.378 1.00 0.00 O ATOM 492 NE2 GLN A 28 -4.545 4.271 -12.045 1.00 0.00 N ATOM 493 H GLN A 28 -6.719 2.545 -8.594 1.00 0.00 H ATOM 494 HA GLN A 28 -4.881 1.475 -10.637 1.00 0.00 H ATOM 495 1HB GLN A 28 -4.372 2.765 -7.926 1.00 0.00 H ATOM 496 2HB GLN A 28 -3.108 2.232 -9.026 1.00 0.00 H ATOM 497 1HG GLN A 28 -5.196 4.322 -9.679 1.00 0.00 H ATOM 498 2HG GLN A 28 -3.526 4.651 -9.135 1.00 0.00 H ATOM 499 1HE2 GLN A 28 -4.282 4.243 -13.010 1.00 0.00 H ATOM 500 2HE2 GLN A 28 -5.454 4.595 -11.784 1.00 0.00 H ATOM 501 N GLY A 29 -5.893 -0.375 -8.366 1.00 0.00 N ATOM 502 CA GLY A 29 -5.817 -1.717 -7.803 1.00 0.00 C ATOM 503 C GLY A 29 -5.417 -1.677 -6.334 1.00 0.00 C ATOM 504 O GLY A 29 -4.794 -2.609 -5.824 1.00 0.00 O ATOM 505 H GLY A 29 -6.770 0.125 -8.329 1.00 0.00 H ATOM 506 1HA GLY A 29 -6.784 -2.211 -7.907 1.00 0.00 H ATOM 507 2HA GLY A 29 -5.094 -2.307 -8.365 1.00 0.00 H ATOM 508 N VAL A 30 -5.777 -0.592 -5.657 1.00 0.00 N ATOM 509 CA VAL A 30 -5.498 -0.449 -4.233 1.00 0.00 C ATOM 510 C VAL A 30 -6.752 -0.684 -3.400 1.00 0.00 C ATOM 511 O VAL A 30 -7.832 -0.198 -3.736 1.00 0.00 O ATOM 512 CB VAL A 30 -4.944 0.957 -3.935 1.00 0.00 C ATOM 513 CG1 VAL A 30 -4.692 1.125 -2.444 1.00 0.00 C ATOM 514 CG2 VAL A 30 -3.667 1.189 -4.728 1.00 0.00 C ATOM 515 H VAL A 30 -6.256 0.154 -6.142 1.00 0.00 H ATOM 516 HA VAL A 30 -4.765 -1.203 -3.947 1.00 0.00 H ATOM 517 HB VAL A 30 -5.690 1.699 -4.220 1.00 0.00 H ATOM 518 1HG1 VAL A 30 -4.301 2.124 -2.251 1.00 0.00 H ATOM 519 2HG1 VAL A 30 -5.626 0.990 -1.899 1.00 0.00 H ATOM 520 3HG1 VAL A 30 -3.967 0.382 -2.112 1.00 0.00 H ATOM 521 1HG2 VAL A 30 -3.281 2.185 -4.513 1.00 0.00 H ATOM 522 2HG2 VAL A 30 -2.924 0.442 -4.446 1.00 0.00 H ATOM 523 3HG2 VAL A 30 -3.880 1.104 -5.794 1.00 0.00 H ATOM 524 N ASN A 31 -6.602 -1.433 -2.313 1.00 0.00 N ATOM 525 CA ASN A 31 -7.736 -1.800 -1.473 1.00 0.00 C ATOM 526 C ASN A 31 -8.339 -0.576 -0.796 1.00 0.00 C ATOM 527 O ASN A 31 -7.641 0.399 -0.519 1.00 0.00 O ATOM 528 CB ASN A 31 -7.324 -2.833 -0.440 1.00 0.00 C ATOM 529 CG ASN A 31 -7.012 -4.170 -1.053 1.00 0.00 C ATOM 530 OD1 ASN A 31 -7.681 -4.606 -1.997 1.00 0.00 O ATOM 531 ND2 ASN A 31 -6.008 -4.830 -0.534 1.00 0.00 N ATOM 532 H ASN A 31 -5.679 -1.757 -2.062 1.00 0.00 H ATOM 533 HA ASN A 31 -8.502 -2.254 -2.104 1.00 0.00 H ATOM 534 1HB ASN A 31 -6.443 -2.478 0.097 1.00 0.00 H ATOM 535 2HB ASN A 31 -8.124 -2.958 0.289 1.00 0.00 H ATOM 536 1HD2 ASN A 31 -5.754 -5.725 -0.902 1.00 0.00 H ATOM 537 2HD2 ASN A 31 -5.494 -4.439 0.229 1.00 0.00 H ATOM 538 N PRO A 32 -9.640 -0.633 -0.533 1.00 0.00 N ATOM 539 CA PRO A 32 -10.341 0.473 0.108 1.00 0.00 C ATOM 540 C PRO A 32 -9.650 0.889 1.401 1.00 0.00 C ATOM 541 O PRO A 32 -9.498 2.078 1.681 1.00 0.00 O ATOM 542 CB PRO A 32 -11.733 -0.108 0.374 1.00 0.00 C ATOM 543 CG PRO A 32 -11.929 -1.102 -0.719 1.00 0.00 C ATOM 544 CD PRO A 32 -10.576 -1.738 -0.895 1.00 0.00 C ATOM 545 HA PRO A 32 -10.344 1.323 -0.575 1.00 0.00 H ATOM 546 1HB PRO A 32 -11.766 -0.563 1.375 1.00 0.00 H ATOM 547 2HB PRO A 32 -12.485 0.695 0.361 1.00 0.00 H ATOM 548 1HG PRO A 32 -12.705 -1.829 -0.438 1.00 0.00 H ATOM 549 2HG PRO A 32 -12.282 -0.598 -1.632 1.00 0.00 H ATOM 550 1HD PRO A 32 -10.479 -2.591 -0.208 1.00 0.00 H ATOM 551 2HD PRO A 32 -10.456 -2.064 -1.938 1.00 0.00 H ATOM 552 N ASP A 33 -9.232 -0.099 2.186 1.00 0.00 N ATOM 553 CA ASP A 33 -8.553 0.163 3.450 1.00 0.00 C ATOM 554 C ASP A 33 -7.175 0.768 3.220 1.00 0.00 C ATOM 555 O ASP A 33 -6.738 1.643 3.967 1.00 0.00 O ATOM 556 CB ASP A 33 -8.421 -1.127 4.264 1.00 0.00 C ATOM 557 CG ASP A 33 -9.753 -1.617 4.817 1.00 0.00 C ATOM 558 OD1 ASP A 33 -10.687 -0.851 4.828 1.00 0.00 O ATOM 559 OD2 ASP A 33 -9.822 -2.753 5.222 1.00 0.00 O ATOM 560 H ASP A 33 -9.388 -1.055 1.900 1.00 0.00 H ATOM 561 HA ASP A 33 -9.153 0.868 4.025 1.00 0.00 H ATOM 562 1HB ASP A 33 -7.993 -1.910 3.638 1.00 0.00 H ATOM 563 2HB ASP A 33 -7.737 -0.963 5.097 1.00 0.00 H ATOM 564 N GLU A 34 -6.493 0.297 2.181 1.00 0.00 N ATOM 565 CA GLU A 34 -5.182 0.826 1.822 1.00 0.00 C ATOM 566 C GLU A 34 -5.286 2.261 1.320 1.00 0.00 C ATOM 567 O GLU A 34 -4.414 3.087 1.590 1.00 0.00 O ATOM 568 CB GLU A 34 -4.528 -0.052 0.753 1.00 0.00 C ATOM 569 CG GLU A 34 -4.084 -1.421 1.249 1.00 0.00 C ATOM 570 CD GLU A 34 -3.548 -2.296 0.150 1.00 0.00 C ATOM 571 OE1 GLU A 34 -3.994 -2.159 -0.964 1.00 0.00 O ATOM 572 OE2 GLU A 34 -2.691 -3.102 0.425 1.00 0.00 O ATOM 573 H GLU A 34 -6.892 -0.446 1.626 1.00 0.00 H ATOM 574 HA GLU A 34 -4.548 0.810 2.708 1.00 0.00 H ATOM 575 1HB GLU A 34 -5.226 -0.205 -0.070 1.00 0.00 H ATOM 576 2HB GLU A 34 -3.653 0.457 0.349 1.00 0.00 H ATOM 577 1HG GLU A 34 -3.309 -1.289 2.003 1.00 0.00 H ATOM 578 2HG GLU A 34 -4.931 -1.917 1.721 1.00 0.00 H ATOM 579 N ALA A 35 -6.357 2.551 0.590 1.00 0.00 N ATOM 580 CA ALA A 35 -6.598 3.897 0.084 1.00 0.00 C ATOM 581 C ALA A 35 -6.822 4.882 1.225 1.00 0.00 C ATOM 582 O ALA A 35 -6.327 6.009 1.191 1.00 0.00 O ATOM 583 CB ALA A 35 -7.790 3.903 -0.861 1.00 0.00 C ATOM 584 H ALA A 35 -7.021 1.820 0.379 1.00 0.00 H ATOM 585 HA ALA A 35 -5.723 4.215 -0.485 1.00 0.00 H ATOM 586 1HB ALA A 35 -7.957 4.915 -1.230 1.00 0.00 H ATOM 587 2HB ALA A 35 -7.591 3.238 -1.702 1.00 0.00 H ATOM 588 3HB ALA A 35 -8.676 3.560 -0.330 1.00 0.00 H ATOM 589 N GLU A 36 -7.570 4.450 2.234 1.00 0.00 N ATOM 590 CA GLU A 36 -7.785 5.257 3.429 1.00 0.00 C ATOM 591 C GLU A 36 -6.486 5.461 4.197 1.00 0.00 C ATOM 592 O GLU A 36 -6.187 6.567 4.648 1.00 0.00 O ATOM 593 CB GLU A 36 -8.828 4.600 4.336 1.00 0.00 C ATOM 594 CG GLU A 36 -9.109 5.361 5.625 1.00 0.00 C ATOM 595 CD GLU A 36 -9.763 6.693 5.386 1.00 0.00 C ATOM 596 OE1 GLU A 36 -10.369 6.860 4.355 1.00 0.00 O ATOM 597 OE2 GLU A 36 -9.656 7.545 6.237 1.00 0.00 O ATOM 598 H GLU A 36 -8.002 3.539 2.172 1.00 0.00 H ATOM 599 HA GLU A 36 -8.168 6.232 3.124 1.00 0.00 H ATOM 600 1HB GLU A 36 -9.769 4.499 3.796 1.00 0.00 H ATOM 601 2HB GLU A 36 -8.495 3.597 4.605 1.00 0.00 H ATOM 602 1HG GLU A 36 -9.760 4.757 6.256 1.00 0.00 H ATOM 603 2HG GLU A 36 -8.171 5.512 6.157 1.00 0.00 H ATOM 604 N ASP A 37 -5.716 4.389 4.343 1.00 0.00 N ATOM 605 CA ASP A 37 -4.406 4.466 4.979 1.00 0.00 C ATOM 606 C ASP A 37 -3.486 5.421 4.230 1.00 0.00 C ATOM 607 O ASP A 37 -2.747 6.193 4.840 1.00 0.00 O ATOM 608 CB ASP A 37 -3.762 3.079 5.052 1.00 0.00 C ATOM 609 CG ASP A 37 -2.434 3.082 5.796 1.00 0.00 C ATOM 610 OD1 ASP A 37 -2.437 3.338 6.977 1.00 0.00 O ATOM 611 OD2 ASP A 37 -1.429 2.827 5.177 1.00 0.00 O ATOM 612 H ASP A 37 -6.046 3.496 4.004 1.00 0.00 H ATOM 613 HA ASP A 37 -4.537 4.834 5.997 1.00 0.00 H ATOM 614 1HB ASP A 37 -4.441 2.389 5.552 1.00 0.00 H ATOM 615 2HB ASP A 37 -3.596 2.702 4.042 1.00 0.00 H ATOM 616 N ALA A 38 -3.535 5.364 2.903 1.00 0.00 N ATOM 617 CA ALA A 38 -2.715 6.234 2.068 1.00 0.00 C ATOM 618 C ALA A 38 -3.001 7.702 2.354 1.00 0.00 C ATOM 619 O ALA A 38 -2.081 8.506 2.503 1.00 0.00 O ATOM 620 CB ALA A 38 -2.948 5.926 0.596 1.00 0.00 C ATOM 621 H ALA A 38 -4.157 4.702 2.462 1.00 0.00 H ATOM 622 HA ALA A 38 -1.666 6.033 2.285 1.00 0.00 H ATOM 623 1HB ALA A 38 -2.329 6.584 -0.015 1.00 0.00 H ATOM 624 2HB ALA A 38 -2.683 4.888 0.394 1.00 0.00 H ATOM 625 3HB ALA A 38 -3.997 6.087 0.352 1.00 0.00 H ATOM 626 N ILE A 39 -4.282 8.047 2.429 1.00 0.00 N ATOM 627 CA ILE A 39 -4.692 9.417 2.713 1.00 0.00 C ATOM 628 C ILE A 39 -4.259 9.844 4.109 1.00 0.00 C ATOM 629 O ILE A 39 -3.724 10.936 4.297 1.00 0.00 O ATOM 630 CB ILE A 39 -6.218 9.573 2.578 1.00 0.00 C ATOM 631 CG1 ILE A 39 -6.644 9.409 1.117 1.00 0.00 C ATOM 632 CG2 ILE A 39 -6.664 10.923 3.118 1.00 0.00 C ATOM 633 CD1 ILE A 39 -8.137 9.264 0.929 1.00 0.00 C ATOM 634 H ILE A 39 -4.991 7.341 2.286 1.00 0.00 H ATOM 635 HA ILE A 39 -4.221 10.077 1.983 1.00 0.00 H ATOM 636 HB ILE A 39 -6.715 8.784 3.141 1.00 0.00 H ATOM 637 1HG1 ILE A 39 -6.310 10.272 0.541 1.00 0.00 H ATOM 638 2HG1 ILE A 39 -6.161 8.528 0.693 1.00 0.00 H ATOM 639 1HG2 ILE A 39 -7.745 11.017 3.014 1.00 0.00 H ATOM 640 2HG2 ILE A 39 -6.392 11.002 4.170 1.00 0.00 H ATOM 641 3HG2 ILE A 39 -6.175 11.719 2.556 1.00 0.00 H ATOM 642 1HD1 ILE A 39 -8.361 9.152 -0.132 1.00 0.00 H ATOM 643 2HD1 ILE A 39 -8.488 8.384 1.469 1.00 0.00 H ATOM 644 3HD1 ILE A 39 -8.640 10.151 1.313 1.00 0.00 H ATOM 645 N ARG A 40 -4.493 8.975 5.087 1.00 0.00 N ATOM 646 CA ARG A 40 -4.161 9.276 6.475 1.00 0.00 C ATOM 647 C ARG A 40 -2.660 9.462 6.654 1.00 0.00 C ATOM 648 O ARG A 40 -2.218 10.315 7.424 1.00 0.00 O ATOM 649 CB ARG A 40 -4.645 8.164 7.394 1.00 0.00 C ATOM 650 CG ARG A 40 -6.154 8.078 7.554 1.00 0.00 C ATOM 651 CD ARG A 40 -6.548 6.976 8.468 1.00 0.00 C ATOM 652 NE ARG A 40 -7.992 6.836 8.560 1.00 0.00 N ATOM 653 CZ ARG A 40 -8.632 6.094 9.484 1.00 0.00 C ATOM 654 NH1 ARG A 40 -7.943 5.431 10.387 1.00 0.00 N ATOM 655 NH2 ARG A 40 -9.952 6.031 9.484 1.00 0.00 N ATOM 656 H ARG A 40 -4.911 8.083 4.863 1.00 0.00 H ATOM 657 HA ARG A 40 -4.664 10.201 6.758 1.00 0.00 H ATOM 658 1HB ARG A 40 -4.298 7.203 7.016 1.00 0.00 H ATOM 659 2HB ARG A 40 -4.215 8.299 8.386 1.00 0.00 H ATOM 660 1HG ARG A 40 -6.530 9.015 7.966 1.00 0.00 H ATOM 661 2HG ARG A 40 -6.614 7.898 6.582 1.00 0.00 H ATOM 662 1HD ARG A 40 -6.137 6.035 8.102 1.00 0.00 H ATOM 663 2HD ARG A 40 -6.160 7.175 9.467 1.00 0.00 H ATOM 664 HE ARG A 40 -8.556 7.332 7.882 1.00 0.00 H ATOM 665 1HH1 ARG A 40 -6.934 5.479 10.387 1.00 0.00 H ATOM 666 2HH1 ARG A 40 -8.423 4.874 11.080 1.00 0.00 H ATOM 667 1HH2 ARG A 40 -10.482 6.541 8.789 1.00 0.00 H ATOM 668 2HH2 ARG A 40 -10.431 5.475 10.176 1.00 0.00 H ATOM 669 N TRP A 41 -1.879 8.658 5.939 1.00 0.00 N ATOM 670 CA TRP A 41 -0.428 8.797 5.944 1.00 0.00 C ATOM 671 C TRP A 41 -0.003 10.158 5.408 1.00 0.00 C ATOM 672 O TRP A 41 0.850 10.827 5.991 1.00 0.00 O ATOM 673 CB TRP A 41 0.216 7.692 5.104 1.00 0.00 C ATOM 674 CG TRP A 41 1.705 7.815 4.993 1.00 0.00 C ATOM 675 CD1 TRP A 41 2.632 7.298 5.847 1.00 0.00 C ATOM 676 CD2 TRP A 41 2.452 8.505 3.961 1.00 0.00 C ATOM 677 NE1 TRP A 41 3.898 7.617 5.422 1.00 0.00 N ATOM 678 CE2 TRP A 41 3.806 8.354 4.268 1.00 0.00 C ATOM 679 CE3 TRP A 41 2.084 9.227 2.819 1.00 0.00 C ATOM 680 CZ2 TRP A 41 4.803 8.901 3.476 1.00 0.00 C ATOM 681 CZ3 TRP A 41 3.084 9.774 2.023 1.00 0.00 C ATOM 682 CH2 TRP A 41 4.408 9.614 2.344 1.00 0.00 C ATOM 683 H TRP A 41 -2.303 7.932 5.379 1.00 0.00 H ATOM 684 HA TRP A 41 -0.074 8.699 6.970 1.00 0.00 H ATOM 685 1HB TRP A 41 -0.016 6.721 5.543 1.00 0.00 H ATOM 686 2HB TRP A 41 -0.205 7.706 4.099 1.00 0.00 H ATOM 687 HD1 TRP A 41 2.402 6.715 6.738 1.00 0.00 H ATOM 688 HE1 TRP A 41 4.757 7.353 5.882 1.00 0.00 H ATOM 689 HE3 TRP A 41 1.033 9.355 2.559 1.00 0.00 H ATOM 690 HZ2 TRP A 41 5.861 8.785 3.713 1.00 0.00 H ATOM 691 HZ3 TRP A 41 2.789 10.335 1.137 1.00 0.00 H ATOM 692 HH2 TRP A 41 5.167 10.056 1.697 1.00 0.00 H ATOM 693 N ALA A 42 -0.604 10.565 4.295 1.00 0.00 N ATOM 694 CA ALA A 42 -0.273 11.838 3.666 1.00 0.00 C ATOM 695 C ALA A 42 -0.669 13.010 4.555 1.00 0.00 C ATOM 696 O ALA A 42 0.041 14.013 4.627 1.00 0.00 O ATOM 697 CB ALA A 42 -0.951 11.950 2.309 1.00 0.00 C ATOM 698 H ALA A 42 -1.309 9.976 3.873 1.00 0.00 H ATOM 699 HA ALA A 42 0.804 11.872 3.501 1.00 0.00 H ATOM 700 1HB ALA A 42 -0.695 12.906 1.852 1.00 0.00 H ATOM 701 2HB ALA A 42 -0.614 11.138 1.665 1.00 0.00 H ATOM 702 3HB ALA A 42 -2.031 11.888 2.435 1.00 0.00 H ATOM 703 N LYS A 43 -1.806 12.877 5.229 1.00 0.00 N ATOM 704 CA LYS A 43 -2.306 13.933 6.102 1.00 0.00 C ATOM 705 C LYS A 43 -1.470 14.041 7.371 1.00 0.00 C ATOM 706 O LYS A 43 -0.910 13.052 7.843 1.00 0.00 O ATOM 707 OXT LYS A 43 -1.352 15.100 7.923 1.00 0.00 O ATOM 708 CB LYS A 43 -3.773 13.682 6.458 1.00 0.00 C ATOM 709 CG LYS A 43 -4.744 13.881 5.302 1.00 0.00 C ATOM 710 CD LYS A 43 -6.151 13.447 5.682 1.00 0.00 C ATOM 711 CE LYS A 43 -6.812 14.457 6.608 1.00 0.00 C ATOM 712 NZ LYS A 43 -8.249 14.144 6.839 1.00 0.00 N ATOM 713 H LYS A 43 -2.337 12.023 5.135 1.00 0.00 H ATOM 714 HA LYS A 43 -2.240 14.882 5.570 1.00 0.00 H ATOM 715 1HB LYS A 43 -3.890 12.661 6.822 1.00 0.00 H ATOM 716 2HB LYS A 43 -4.071 14.353 7.265 1.00 0.00 H ATOM 717 1HG LYS A 43 -4.761 14.935 5.019 1.00 0.00 H ATOM 718 2HG LYS A 43 -4.412 13.298 4.444 1.00 0.00 H ATOM 719 1HD LYS A 43 -6.756 13.344 4.780 1.00 0.00 H ATOM 720 2HD LYS A 43 -6.111 12.480 6.183 1.00 0.00 H ATOM 721 1HE LYS A 43 -6.296 14.463 7.567 1.00 0.00 H ATOM 722 2HE LYS A 43 -6.736 15.454 6.174 1.00 0.00 H ATOM 723 1HZ LYS A 43 -8.649 14.836 7.457 1.00 0.00 H ATOM 724 2HZ LYS A 43 -8.742 14.154 5.957 1.00 0.00 H ATOM 725 3HZ LYS A 43 -8.331 13.230 7.260 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE nods_bigger.blueprint.44_try368_pass_20150519213918_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 rama omega fa_dun p_aa_pp ref total weights 0.8 0.44 0.75 0.004 0.7 1 1.17 1.17 1.17 1.1 1 0.2 0.5 0.56 0.32 1 NA pose -180.184 16.6682 101.055 0.35072 -21.7248 0.03338 -23.1873 -1.75119 -1.83819 -6.78435 0 -5.63099 1.9868 45.8326 -5.04142 -11.4654 -91.681 ASP:NtermProteinFull_1 -3.13906 0.18296 3.07524 0.02315 -0.78543 0 0 0 -0.30593 0 0 0 0.13554 1.36221 0 -1.28682 -0.73813 ASP_2 -3.38462 0.23231 2.66512 0.0034 -0.33065 0 0 0 0 0 0 -0.19476 0.00255 1.33682 -0.02167 -1.28682 -0.97832 GLU_3 -5.05824 0.42968 4.18114 0.00986 -1.78804 0 0 0 0 -0.69463 0 -0.17579 0.09776 2.53692 -0.11008 -1.55374 -2.12515 ALA_4 -4.06265 0.24862 1.98397 0.00074 -0.48362 0 0 0 -0.30593 0 0 -0.18107 0.0485 0 -0.1924 0.59294 -2.35089 ARG_5 -6.83816 0.68539 3.92227 0.00802 -1.50328 0 0 0 0 -0.66733 0 -0.1175 0.00088 1.50359 -0.09302 -0.14916 -3.24829 ARG_6 -5.35718 0.31779 3.77974 0.01093 -1.04402 0 0 0 0 -0.18911 0 -0.18314 0.02183 1.48461 -0.08035 -0.14916 -1.38807 ARG_7 -5.5663 0.42396 3.75378 0.00807 -1.13547 0 0 0 0 -0.81696 0 -0.20359 0.04081 1.56749 -0.08788 -0.14916 -2.16525 ALA_8 -4.36445 0.29926 1.75791 0.00073 -0.21692 0 0 0 0 0 0 -0.11984 0.05479 0 -0.1602 0.59294 -2.15579 LYS_9 -4.38553 0.42871 2.36208 0.00535 -0.29019 0 0 0 0 0 0 -0.14849 0.00193 0.864 -0.03865 -0.28737 -1.48816 LYS_10 -4.03885 0.31511 2.3454 0.00308 -0.26391 0 0 0 0 0 0 -0.19798 0.00062 0.81909 -0.05007 -0.28737 -1.35489 LEU_11 -6.30131 0.59885 2.01998 0.00728 -0.39229 0 0 0 0 0 0 -0.12916 0.15226 0.18368 -0.1258 0.60233 -3.38418 LEU_12 -3.95024 0.44714 1.72333 0.00721 -0.00948 0 0 0 0 0 0 -0.12567 0.09423 0.21282 -0.12443 0.60233 -1.12276 GLU_13 -2.95508 0.26736 2.07971 0.00462 -0.14024 0 0 0 0 0 0 -0.25404 0.06954 2.10735 -0.14139 -1.55374 -0.51591 LYS_14 -2.81169 0.24348 1.25462 0.00308 0.00738 0 0 0 0 0 0 -0.27175 0.1814 0.71184 -0.03199 -0.28737 -1.00101 GLY_15 -1.51891 0.12527 0.90348 3e-05 0.01398 0 0 0 0 0 0 0.26634 0.03913 0 -0.73856 0.14053 -0.7687 TYR_16 -4.89558 0.32045 1.37346 0.02268 0.11847 0 0 0 0 0 0 -0.17269 0.00116 1.49221 -0.18302 0.1317 -1.79117 SER_17 -2.51705 0.20306 1.80594 0.00152 -0.37197 0 0 0 -0.27928 0 0 -0.27789 0.02113 0.09663 -0.24636 0.17658 -1.3877 GLU_18 -4.25006 0.27546 3.11664 0.00456 -1.45933 0 0 0 0 -0.2832 0 -0.24783 0.01436 2.15275 -0.11728 -1.55374 -2.34767 ASP_19 -2.83139 0.23019 2.16334 0.00334 -0.4792 0 0 0 0 0 0 -0.10652 0.16564 1.28992 0.0534 -1.28682 -0.79809 TYR_20 -5.71716 0.47933 2.24409 0.03263 -0.20813 0 0 0 -0.27928 0 0 0.00028 0.01761 1.61849 -0.05945 0.1317 -1.73988 ILE_21 -6.303 0.7414 1.81386 0.01985 -0.21577 0 0 0 0 0 0 0.00784 0.0004 0.0884 -0.06115 0.8318 -3.07635 ARG_22 -6.19903 0.60343 4.49845 0.01095 -1.89309 0 0 0 0 -0.66933 0 -0.00336 0.01618 1.88119 -0.06181 -0.14916 -1.96558 GLU_23 -3.96932 0.34218 2.70316 0.00748 -0.92834 0 0 0 0 -0.35812 0 -0.13666 0.00033 2.21589 -0.10624 -1.55374 -1.78338 TYR_24 -5.74103 0.52672 2.62025 0.02817 -0.40167 0 0 0 0 0 0 0.1116 0.07411 1.28913 -0.14763 0.1317 -1.50865 LEU_25 -6.41021 0.73584 2.0056 0.00738 -0.24811 0 0 0 0 0 0 -0.1239 0.11213 0.18532 -0.12403 0.60233 -3.25766 LYS_26 -4.27571 0.61566 2.41956 0.00307 -0.09023 0 0 0 0 0 0 -0.19115 0.03597 0.92094 -0.04994 -0.28737 -0.8992 ARG_27 -3.23796 0.37638 2.23385 0.00966 -0.83297 0 0 0 0 -0.35812 0 -0.25407 0.0312 1.45292 -0.08635 -0.14916 -0.81463 GLN_28 -3.72396 0.49898 2.28214 0.00503 -0.2722 0 0 0 0 -0.31144 0 -0.23956 0.10659 1.74566 -0.02547 -1.17797 -1.1122 GLY_29 -1.34902 0.27567 0.89637 2e-05 0.08848 0 0 0 0 0 0 -0.20817 0.02455 0 -0.78198 0.14053 -0.91356 VAL_30 -4.15216 0.67872 1.74895 0.01263 -0.20799 0 0 0 0 0 0 -0.16206 0.0684 0.07525 -0.21439 0.74484 -1.4078 ASN_31 -3.47488 0.55882 2.28865 0.0032 -0.59526 0.00092 0 0 -0.33388 0 0 -0.12463 0.00024 1.37638 0.21182 -0.94198 -1.03059 PRO_32 -2.51173 0.31392 1.33615 0.00092 -0.12406 0.03246 0 0 0 0 0 0.06868 0.00011 0.07056 -0.12434 -0.21929 -1.15661 ASP_33 -2.25284 0.23564 1.35111 0.00332 -0.11178 0 0 0 0 0 0 -0.16188 0.02587 1.3185 0.00433 -1.28682 -0.87455 GLU_34 -4.68445 0.3717 3.3217 0.00396 -0.73037 0 0 0 -0.33388 0 0 -0.25021 0.01892 2.29138 -0.15235 -1.55374 -1.69734 ALA_35 -4.10495 0.27095 1.75494 0.00073 -0.22838 0 0 0 0 0 0 -0.16629 0.09375 0 -0.16896 0.59294 -1.95527 GLU_36 -4.81974 0.28617 3.77892 0.00928 -1.95605 0 0 0 0 -1.07744 0 -0.20017 0.08626 2.50732 -0.11614 -1.55374 -3.05534 ASP_37 -3.88366 0.22572 2.86223 0.00337 -1.20363 0 0 0 0 -0.66733 0 -0.10668 0.00196 2.37475 0.04227 -1.28682 -1.63783 ALA_38 -4.47623 0.52683 2.00315 0.00073 -0.10544 0 0 0 0 0 0 -0.09649 0.00269 0 -0.14351 0.59294 -1.69533 ILE_39 -5.65452 0.46061 2.34219 0.02032 -0.19467 0 0 0 0 0 0 -0.02791 0.01493 0.07308 -0.11732 0.8318 -2.25149 ARG_40 -4.00377 0.22139 2.67737 0.00782 -0.53227 0 0 0 0 -0.40811 0 -0.21949 0.10231 1.44429 -0.08419 -0.14916 -0.94381 TRP_41 -5.10313 0.52191 2.17503 0.02676 0.00201 0 0 0 0 0 0 -0.10271 0.00525 1.21351 -0.02111 0.92933 -0.35317 ALA_42 -3.02096 0.33609 1.18685 0.00074 0.28987 0 0 0 0 0 0 -0.20263 0.00297 0 -0.16374 0.59294 -0.97787 LYS:CtermProteinFull_43 -2.88836 0.1891 2.2433 0.00504 -0.47052 0 0 0 0 -0.2832 0 0 0 1.9677 0 -0.28737 0.47568 #END_POSE_ENERGIES_TABLE nods_bigger.blueprint.44_try368_pass_20150519213918_0001.pdb AlaCount 5 bb -0.040716 buried_minus_exposed 3848.05 buried_np 5295.52 buried_over_exposed 3.65843 cavity_volume 0 contact_all 312 contact_core_SASA 312 contact_core_SCN 312 degree 10.3023 degree_core_SASA 10.3023 degree_core_SCN 10.3023 exposed_hydrophobics 1447.48 holes 1.35618 mismatch_probability 0.140548 one_core_each 1 pack 0.631865 percent_core_SASA 0.0930016 percent_core_SCN 0.116252 res_count_core_SASA 4 res_count_core_SCN 5 ss_sc 0.771438 two_core_each 0.333333 unsat_hbond 3
HHH_rd2_0155.pdb
ATOM 1 N PRO A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA PRO A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C PRO A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O PRO A 1 2.269 1.995 -1.057 1.00 0.00 O ATOM 5 CB PRO A 1 1.803 -0.740 -1.297 1.00 0.00 C ATOM 6 CG PRO A 1 0.669 -0.422 -2.211 1.00 0.00 C ATOM 7 CD PRO A 1 -0.542 -0.410 -1.316 1.00 0.00 C ATOM 8 1H PRO A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 9 2H PRO A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 10 HA PRO A 1 1.804 -0.506 0.902 1.00 0.00 H ATOM 11 1HB PRO A 1 2.772 -0.391 -1.682 1.00 0.00 H ATOM 12 2HB PRO A 1 1.904 -1.817 -1.100 1.00 0.00 H ATOM 13 1HG PRO A 1 0.839 0.545 -2.706 1.00 0.00 H ATOM 14 2HG PRO A 1 0.600 -1.179 -3.007 1.00 0.00 H ATOM 15 1HD PRO A 1 -1.270 0.323 -1.693 1.00 0.00 H ATOM 16 2HD PRO A 1 -0.985 -1.417 -1.284 1.00 0.00 H ATOM 17 N PRO A 2 2.184 1.981 1.192 1.00 0.00 N ATOM 18 CA PRO A 2 2.710 3.334 1.331 1.00 0.00 C ATOM 19 C PRO A 2 4.043 3.484 0.609 1.00 0.00 C ATOM 20 O PRO A 2 4.352 4.547 0.071 1.00 0.00 O ATOM 21 CB PRO A 2 2.868 3.487 2.847 1.00 0.00 C ATOM 22 CG PRO A 2 1.829 2.584 3.417 1.00 0.00 C ATOM 23 CD PRO A 2 1.828 1.389 2.500 1.00 0.00 C ATOM 24 HA PRO A 2 1.994 4.031 0.893 1.00 0.00 H ATOM 25 1HB PRO A 2 3.889 3.207 3.149 1.00 0.00 H ATOM 26 2HB PRO A 2 2.725 4.539 3.136 1.00 0.00 H ATOM 27 1HG PRO A 2 2.081 2.321 4.455 1.00 0.00 H ATOM 28 2HG PRO A 2 0.855 3.096 3.446 1.00 0.00 H ATOM 29 1HD PRO A 2 2.583 0.665 2.840 1.00 0.00 H ATOM 30 2HD PRO A 2 0.827 0.932 2.494 1.00 0.00 H ATOM 31 N ASP A 3 4.830 2.414 0.602 1.00 0.00 N ATOM 32 CA ASP A 3 6.128 2.422 -0.063 1.00 0.00 C ATOM 33 C ASP A 3 5.981 2.693 -1.554 1.00 0.00 C ATOM 34 O ASP A 3 6.718 3.498 -2.124 1.00 0.00 O ATOM 35 CB ASP A 3 6.848 1.088 0.151 1.00 0.00 C ATOM 36 CG ASP A 3 7.366 0.916 1.573 1.00 0.00 C ATOM 37 OD1 ASP A 3 7.543 1.905 2.244 1.00 0.00 O ATOM 38 OD2 ASP A 3 7.578 -0.203 1.975 1.00 0.00 O ATOM 39 H ASP A 3 4.521 1.573 1.068 1.00 0.00 H ATOM 40 HA ASP A 3 6.737 3.212 0.378 1.00 0.00 H ATOM 41 1HB ASP A 3 6.168 0.267 -0.074 1.00 0.00 H ATOM 42 2HB ASP A 3 7.690 1.015 -0.537 1.00 0.00 H ATOM 43 N ASP A 4 5.026 2.016 -2.182 1.00 0.00 N ATOM 44 CA ASP A 4 4.770 2.195 -3.607 1.00 0.00 C ATOM 45 C ASP A 4 4.182 3.571 -3.892 1.00 0.00 C ATOM 46 O ASP A 4 4.469 4.178 -4.924 1.00 0.00 O ATOM 47 CB ASP A 4 3.820 1.111 -4.122 1.00 0.00 C ATOM 48 CG ASP A 4 4.475 -0.262 -4.199 1.00 0.00 C ATOM 49 OD1 ASP A 4 5.680 -0.328 -4.141 1.00 0.00 O ATOM 50 OD2 ASP A 4 3.763 -1.231 -4.315 1.00 0.00 O ATOM 51 H ASP A 4 4.462 1.361 -1.660 1.00 0.00 H ATOM 52 HA ASP A 4 5.715 2.101 -4.143 1.00 0.00 H ATOM 53 1HB ASP A 4 2.951 1.047 -3.466 1.00 0.00 H ATOM 54 2HB ASP A 4 3.461 1.383 -5.115 1.00 0.00 H ATOM 55 N GLU A 5 3.356 4.059 -2.972 1.00 0.00 N ATOM 56 CA GLU A 5 2.755 5.380 -3.105 1.00 0.00 C ATOM 57 C GLU A 5 3.800 6.478 -2.952 1.00 0.00 C ATOM 58 O GLU A 5 3.720 7.520 -3.603 1.00 0.00 O ATOM 59 CB GLU A 5 1.647 5.569 -2.066 1.00 0.00 C ATOM 60 CG GLU A 5 0.431 4.679 -2.276 1.00 0.00 C ATOM 61 CD GLU A 5 -0.240 4.909 -3.602 1.00 0.00 C ATOM 62 OE1 GLU A 5 -0.490 6.043 -3.932 1.00 0.00 O ATOM 63 OE2 GLU A 5 -0.503 3.948 -4.286 1.00 0.00 O ATOM 64 H GLU A 5 3.140 3.499 -2.159 1.00 0.00 H ATOM 65 HA GLU A 5 2.308 5.459 -4.096 1.00 0.00 H ATOM 66 1HB GLU A 5 2.043 5.366 -1.071 1.00 0.00 H ATOM 67 2HB GLU A 5 1.310 6.606 -2.079 1.00 0.00 H ATOM 68 1HG GLU A 5 0.741 3.637 -2.215 1.00 0.00 H ATOM 69 2HG GLU A 5 -0.284 4.865 -1.476 1.00 0.00 H ATOM 70 N ARG A 6 4.781 6.239 -2.088 1.00 0.00 N ATOM 71 CA ARG A 6 5.916 7.143 -1.947 1.00 0.00 C ATOM 72 C ARG A 6 6.750 7.183 -3.221 1.00 0.00 C ATOM 73 O ARG A 6 7.262 8.234 -3.607 1.00 0.00 O ATOM 74 CB ARG A 6 6.796 6.720 -0.780 1.00 0.00 C ATOM 75 CG ARG A 6 7.926 7.682 -0.451 1.00 0.00 C ATOM 76 CD ARG A 6 8.622 7.302 0.805 1.00 0.00 C ATOM 77 NE ARG A 6 9.286 6.013 0.688 1.00 0.00 N ATOM 78 CZ ARG A 6 8.854 4.875 1.266 1.00 0.00 C ATOM 79 NH1 ARG A 6 7.760 4.882 1.995 1.00 0.00 N ATOM 80 NH2 ARG A 6 9.530 3.751 1.099 1.00 0.00 N ATOM 81 H ARG A 6 4.739 5.409 -1.514 1.00 0.00 H ATOM 82 HA ARG A 6 5.536 8.146 -1.747 1.00 0.00 H ATOM 83 1HB ARG A 6 6.185 6.610 0.114 1.00 0.00 H ATOM 84 2HB ARG A 6 7.241 5.749 -0.994 1.00 0.00 H ATOM 85 1HG ARG A 6 8.656 7.678 -1.261 1.00 0.00 H ATOM 86 2HG ARG A 6 7.524 8.688 -0.329 1.00 0.00 H ATOM 87 1HD ARG A 6 9.375 8.052 1.046 1.00 0.00 H ATOM 88 2HD ARG A 6 7.899 7.240 1.617 1.00 0.00 H ATOM 89 HE ARG A 6 10.131 5.968 0.135 1.00 0.00 H ATOM 90 1HH1 ARG A 6 7.244 5.741 2.123 1.00 0.00 H ATOM 91 2HH1 ARG A 6 7.436 4.029 2.428 1.00 0.00 H ATOM 92 1HH2 ARG A 6 10.371 3.746 0.538 1.00 0.00 H ATOM 93 2HH2 ARG A 6 9.206 2.899 1.532 1.00 0.00 H ATOM 94 N LYS A 7 6.884 6.031 -3.870 1.00 0.00 N ATOM 95 CA LYS A 7 7.558 5.953 -5.161 1.00 0.00 C ATOM 96 C LYS A 7 6.800 6.735 -6.226 1.00 0.00 C ATOM 97 O LYS A 7 7.404 7.381 -7.082 1.00 0.00 O ATOM 98 CB LYS A 7 7.720 4.495 -5.593 1.00 0.00 C ATOM 99 CG LYS A 7 8.458 4.308 -6.912 1.00 0.00 C ATOM 100 CD LYS A 7 9.862 4.891 -6.847 1.00 0.00 C ATOM 101 CE LYS A 7 10.735 4.125 -5.864 1.00 0.00 C ATOM 102 NZ LYS A 7 12.135 4.629 -5.853 1.00 0.00 N ATOM 103 H LYS A 7 6.510 5.188 -3.459 1.00 0.00 H ATOM 104 HA LYS A 7 8.556 6.381 -5.056 1.00 0.00 H ATOM 105 1HB LYS A 7 8.264 3.946 -4.825 1.00 0.00 H ATOM 106 2HB LYS A 7 6.737 4.034 -5.692 1.00 0.00 H ATOM 107 1HG LYS A 7 8.526 3.245 -7.144 1.00 0.00 H ATOM 108 2HG LYS A 7 7.906 4.802 -7.711 1.00 0.00 H ATOM 109 1HD LYS A 7 10.320 4.849 -7.836 1.00 0.00 H ATOM 110 2HD LYS A 7 9.809 5.934 -6.534 1.00 0.00 H ATOM 111 1HE LYS A 7 10.321 4.216 -4.862 1.00 0.00 H ATOM 112 2HE LYS A 7 10.746 3.069 -6.134 1.00 0.00 H ATOM 113 1HZ LYS A 7 12.680 4.096 -5.191 1.00 0.00 H ATOM 114 2HZ LYS A 7 12.537 4.531 -6.775 1.00 0.00 H ATOM 115 3HZ LYS A 7 12.140 5.603 -5.586 1.00 0.00 H ATOM 116 N LYS A 8 5.475 6.671 -6.168 1.00 0.00 N ATOM 117 CA LYS A 8 4.630 7.485 -7.034 1.00 0.00 C ATOM 118 C LYS A 8 4.857 8.971 -6.786 1.00 0.00 C ATOM 119 O LYS A 8 4.947 9.760 -7.726 1.00 0.00 O ATOM 120 CB LYS A 8 3.155 7.136 -6.826 1.00 0.00 C ATOM 121 CG LYS A 8 2.754 5.763 -7.348 1.00 0.00 C ATOM 122 CD LYS A 8 1.292 5.465 -7.054 1.00 0.00 C ATOM 123 CE LYS A 8 0.916 4.054 -7.483 1.00 0.00 C ATOM 124 NZ LYS A 8 -0.490 3.721 -7.129 1.00 0.00 N ATOM 125 H LYS A 8 5.041 6.042 -5.508 1.00 0.00 H ATOM 126 HA LYS A 8 4.881 7.262 -8.072 1.00 0.00 H ATOM 127 1HB LYS A 8 2.920 7.171 -5.762 1.00 0.00 H ATOM 128 2HB LYS A 8 2.532 7.878 -7.325 1.00 0.00 H ATOM 129 1HG LYS A 8 2.915 5.722 -8.426 1.00 0.00 H ATOM 130 2HG LYS A 8 3.374 4.999 -6.878 1.00 0.00 H ATOM 131 1HD LYS A 8 1.106 5.572 -5.984 1.00 0.00 H ATOM 132 2HD LYS A 8 0.661 6.177 -7.587 1.00 0.00 H ATOM 133 1HE LYS A 8 1.039 3.958 -8.561 1.00 0.00 H ATOM 134 2HE LYS A 8 1.579 3.338 -6.999 1.00 0.00 H ATOM 135 1HZ LYS A 8 -0.700 2.779 -7.429 1.00 0.00 H ATOM 136 2HZ LYS A 8 -0.611 3.789 -6.128 1.00 0.00 H ATOM 137 3HZ LYS A 8 -1.116 4.367 -7.588 1.00 0.00 H ATOM 138 N ALA A 9 4.948 9.346 -5.515 1.00 0.00 N ATOM 139 CA ALA A 9 5.241 10.725 -5.142 1.00 0.00 C ATOM 140 C ALA A 9 6.612 11.152 -5.648 1.00 0.00 C ATOM 141 O ALA A 9 6.788 12.276 -6.118 1.00 0.00 O ATOM 142 CB ALA A 9 5.158 10.894 -3.632 1.00 0.00 C ATOM 143 H ALA A 9 4.810 8.658 -4.788 1.00 0.00 H ATOM 144 HA ALA A 9 4.486 11.372 -5.589 1.00 0.00 H ATOM 145 1HB ALA A 9 5.379 11.929 -3.369 1.00 0.00 H ATOM 146 2HB ALA A 9 4.154 10.640 -3.292 1.00 0.00 H ATOM 147 3HB ALA A 9 5.880 10.236 -3.152 1.00 0.00 H ATOM 148 N GLU A 10 7.582 10.250 -5.548 1.00 0.00 N ATOM 149 CA GLU A 10 8.919 10.500 -6.074 1.00 0.00 C ATOM 150 C GLU A 10 8.877 10.798 -7.567 1.00 0.00 C ATOM 151 O GLU A 10 9.448 11.785 -8.030 1.00 0.00 O ATOM 152 CB GLU A 10 9.830 9.299 -5.809 1.00 0.00 C ATOM 153 CG GLU A 10 11.249 9.458 -6.337 1.00 0.00 C ATOM 154 CD GLU A 10 12.108 8.253 -6.076 1.00 0.00 C ATOM 155 OE1 GLU A 10 11.661 7.365 -5.390 1.00 0.00 O ATOM 156 OE2 GLU A 10 13.214 8.219 -6.563 1.00 0.00 O ATOM 157 H GLU A 10 7.388 9.367 -5.097 1.00 0.00 H ATOM 158 HA GLU A 10 9.338 11.364 -5.557 1.00 0.00 H ATOM 159 1HB GLU A 10 9.891 9.118 -4.736 1.00 0.00 H ATOM 160 2HB GLU A 10 9.400 8.408 -6.267 1.00 0.00 H ATOM 161 1HG GLU A 10 11.208 9.635 -7.411 1.00 0.00 H ATOM 162 2HG GLU A 10 11.703 10.331 -5.870 1.00 0.00 H ATOM 163 N LYS A 11 8.196 9.938 -8.318 1.00 0.00 N ATOM 164 CA LYS A 11 8.057 10.121 -9.758 1.00 0.00 C ATOM 165 C LYS A 11 7.387 11.450 -10.082 1.00 0.00 C ATOM 166 O LYS A 11 7.794 12.152 -11.008 1.00 0.00 O ATOM 167 CB LYS A 11 7.260 8.968 -10.370 1.00 0.00 C ATOM 168 CG LYS A 11 7.999 7.636 -10.392 1.00 0.00 C ATOM 169 CD LYS A 11 7.129 6.531 -10.973 1.00 0.00 C ATOM 170 CE LYS A 11 7.861 5.198 -10.988 1.00 0.00 C ATOM 171 NZ LYS A 11 7.017 4.105 -11.543 1.00 0.00 N ATOM 172 H LYS A 11 7.764 9.137 -7.880 1.00 0.00 H ATOM 173 HA LYS A 11 9.051 10.112 -10.205 1.00 0.00 H ATOM 174 1HB LYS A 11 6.335 8.828 -9.811 1.00 0.00 H ATOM 175 2HB LYS A 11 6.989 9.217 -11.396 1.00 0.00 H ATOM 176 1HG LYS A 11 8.902 7.730 -10.996 1.00 0.00 H ATOM 177 2HG LYS A 11 8.288 7.363 -9.378 1.00 0.00 H ATOM 178 1HD LYS A 11 6.221 6.431 -10.377 1.00 0.00 H ATOM 179 2HD LYS A 11 6.845 6.790 -11.993 1.00 0.00 H ATOM 180 1HE LYS A 11 8.763 5.286 -11.592 1.00 0.00 H ATOM 181 2HE LYS A 11 8.155 4.933 -9.973 1.00 0.00 H ATOM 182 1HZ LYS A 11 7.538 3.240 -11.535 1.00 0.00 H ATOM 183 2HZ LYS A 11 6.185 4.002 -10.978 1.00 0.00 H ATOM 184 3HZ LYS A 11 6.754 4.330 -12.491 1.00 0.00 H ATOM 185 N ALA A 12 6.358 11.791 -9.314 1.00 0.00 N ATOM 186 CA ALA A 12 5.656 13.057 -9.491 1.00 0.00 C ATOM 187 C ALA A 12 6.594 14.239 -9.287 1.00 0.00 C ATOM 188 O ALA A 12 6.619 15.170 -10.092 1.00 0.00 O ATOM 189 CB ALA A 12 4.476 13.146 -8.534 1.00 0.00 C ATOM 190 H ALA A 12 6.053 11.157 -8.589 1.00 0.00 H ATOM 191 HA ALA A 12 5.261 13.094 -10.506 1.00 0.00 H ATOM 192 1HB ALA A 12 3.962 14.097 -8.678 1.00 0.00 H ATOM 193 2HB ALA A 12 3.785 12.327 -8.731 1.00 0.00 H ATOM 194 3HB ALA A 12 4.834 13.079 -7.508 1.00 0.00 H ATOM 195 N ALA A 13 7.364 14.198 -8.205 1.00 0.00 N ATOM 196 CA ALA A 13 8.312 15.262 -7.898 1.00 0.00 C ATOM 197 C ALA A 13 9.364 15.395 -8.991 1.00 0.00 C ATOM 198 O ALA A 13 9.703 16.503 -9.407 1.00 0.00 O ATOM 199 CB ALA A 13 8.976 15.008 -6.553 1.00 0.00 C ATOM 200 H ALA A 13 7.291 13.409 -7.579 1.00 0.00 H ATOM 201 HA ALA A 13 7.764 16.202 -7.823 1.00 0.00 H ATOM 202 1HB ALA A 13 9.681 15.811 -6.337 1.00 0.00 H ATOM 203 2HB ALA A 13 8.217 14.973 -5.772 1.00 0.00 H ATOM 204 3HB ALA A 13 9.508 14.058 -6.584 1.00 0.00 H ATOM 205 N ARG A 14 9.876 14.260 -9.454 1.00 0.00 N ATOM 206 CA ARG A 14 10.907 14.249 -10.485 1.00 0.00 C ATOM 207 C ARG A 14 10.365 14.764 -11.811 1.00 0.00 C ATOM 208 O ARG A 14 11.105 15.326 -12.619 1.00 0.00 O ATOM 209 CB ARG A 14 11.457 12.843 -10.676 1.00 0.00 C ATOM 210 CG ARG A 14 12.317 12.331 -9.532 1.00 0.00 C ATOM 211 CD ARG A 14 12.931 11.017 -9.852 1.00 0.00 C ATOM 212 NE ARG A 14 13.635 10.455 -8.710 1.00 0.00 N ATOM 213 CZ ARG A 14 14.861 10.836 -8.303 1.00 0.00 C ATOM 214 NH1 ARG A 14 15.505 11.780 -8.954 1.00 0.00 N ATOM 215 NH2 ARG A 14 15.417 10.262 -7.251 1.00 0.00 N ATOM 216 H ARG A 14 9.543 13.382 -9.081 1.00 0.00 H ATOM 217 HA ARG A 14 11.723 14.898 -10.165 1.00 0.00 H ATOM 218 1HB ARG A 14 10.632 12.145 -10.806 1.00 0.00 H ATOM 219 2HB ARG A 14 12.061 12.809 -11.583 1.00 0.00 H ATOM 220 1HG ARG A 14 13.117 13.044 -9.331 1.00 0.00 H ATOM 221 2HG ARG A 14 11.702 12.214 -8.639 1.00 0.00 H ATOM 222 1HD ARG A 14 12.153 10.315 -10.152 1.00 0.00 H ATOM 223 2HD ARG A 14 13.645 11.137 -10.666 1.00 0.00 H ATOM 224 HE ARG A 14 13.171 9.726 -8.184 1.00 0.00 H ATOM 225 1HH1 ARG A 14 15.081 12.218 -9.759 1.00 0.00 H ATOM 226 2HH1 ARG A 14 16.425 12.066 -8.650 1.00 0.00 H ATOM 227 1HH2 ARG A 14 14.921 9.537 -6.750 1.00 0.00 H ATOM 228 2HH2 ARG A 14 16.335 10.548 -6.946 1.00 0.00 H ATOM 229 N SER A 15 9.069 14.569 -12.031 1.00 0.00 N ATOM 230 CA SER A 15 8.423 15.022 -13.257 1.00 0.00 C ATOM 231 C SER A 15 8.199 16.528 -13.238 1.00 0.00 C ATOM 232 O SER A 15 7.819 17.122 -14.247 1.00 0.00 O ATOM 233 CB SER A 15 7.100 14.307 -13.445 1.00 0.00 C ATOM 234 OG SER A 15 6.167 14.716 -12.482 1.00 0.00 O ATOM 235 H SER A 15 8.517 14.095 -11.331 1.00 0.00 H ATOM 236 HA SER A 15 9.085 14.805 -14.098 1.00 0.00 H ATOM 237 1HB SER A 15 6.712 14.514 -14.442 1.00 0.00 H ATOM 238 2HB SER A 15 7.254 13.231 -13.371 1.00 0.00 H ATOM 239 HG SER A 15 6.677 15.103 -11.767 1.00 0.00 H ATOM 240 N GLY A 16 8.436 17.142 -12.083 1.00 0.00 N ATOM 241 CA GLY A 16 8.243 18.578 -11.925 1.00 0.00 C ATOM 242 C GLY A 16 6.898 18.886 -11.281 1.00 0.00 C ATOM 243 O GLY A 16 6.341 19.967 -11.470 1.00 0.00 O ATOM 244 H GLY A 16 8.758 16.599 -11.295 1.00 0.00 H ATOM 245 1HA GLY A 16 9.046 18.988 -11.313 1.00 0.00 H ATOM 246 2HA GLY A 16 8.303 19.063 -12.899 1.00 0.00 H ATOM 247 N ASN A 17 6.379 17.928 -10.519 1.00 0.00 N ATOM 248 CA ASN A 17 5.092 18.091 -9.854 1.00 0.00 C ATOM 249 C ASN A 17 5.202 17.795 -8.363 1.00 0.00 C ATOM 250 O ASN A 17 4.674 16.794 -7.879 1.00 0.00 O ATOM 251 CB ASN A 17 4.042 17.206 -10.499 1.00 0.00 C ATOM 252 CG ASN A 17 3.764 17.585 -11.927 1.00 0.00 C ATOM 253 OD1 ASN A 17 3.056 18.562 -12.196 1.00 0.00 O ATOM 254 ND2 ASN A 17 4.308 16.832 -12.848 1.00 0.00 N ATOM 255 H ASN A 17 6.890 17.066 -10.398 1.00 0.00 H ATOM 256 HA ASN A 17 4.770 19.126 -9.973 1.00 0.00 H ATOM 257 1HB ASN A 17 4.373 16.167 -10.469 1.00 0.00 H ATOM 258 2HB ASN A 17 3.114 17.270 -9.931 1.00 0.00 H ATOM 259 1HD2 ASN A 17 4.158 17.037 -13.815 1.00 0.00 H ATOM 260 2HD2 ASN A 17 4.874 16.051 -12.585 1.00 0.00 H ATOM 261 N GLU A 18 5.890 18.671 -7.640 1.00 0.00 N ATOM 262 CA GLU A 18 6.072 18.504 -6.203 1.00 0.00 C ATOM 263 C GLU A 18 4.752 18.655 -5.459 1.00 0.00 C ATOM 264 O GLU A 18 4.571 18.098 -4.376 1.00 0.00 O ATOM 265 CB GLU A 18 7.087 19.519 -5.672 1.00 0.00 C ATOM 266 CG GLU A 18 8.515 19.287 -6.146 1.00 0.00 C ATOM 267 CD GLU A 18 9.480 20.311 -5.617 1.00 0.00 C ATOM 268 OE1 GLU A 18 9.080 21.117 -4.812 1.00 0.00 O ATOM 269 OE2 GLU A 18 10.619 20.287 -6.019 1.00 0.00 O ATOM 270 H GLU A 18 6.297 19.475 -8.097 1.00 0.00 H ATOM 271 HA GLU A 18 6.465 17.503 -6.019 1.00 0.00 H ATOM 272 1HB GLU A 18 6.792 20.522 -5.978 1.00 0.00 H ATOM 273 2HB GLU A 18 7.088 19.496 -4.582 1.00 0.00 H ATOM 274 1HG GLU A 18 8.838 18.298 -5.822 1.00 0.00 H ATOM 275 2HG GLU A 18 8.533 19.306 -7.235 1.00 0.00 H ATOM 276 N GLU A 19 3.830 19.410 -6.046 1.00 0.00 N ATOM 277 CA GLU A 19 2.504 19.590 -5.468 1.00 0.00 C ATOM 278 C GLU A 19 1.695 18.301 -5.531 1.00 0.00 C ATOM 279 O GLU A 19 0.937 17.987 -4.614 1.00 0.00 O ATOM 280 CB GLU A 19 1.754 20.711 -6.191 1.00 0.00 C ATOM 281 CG GLU A 19 2.341 22.099 -5.980 1.00 0.00 C ATOM 282 CD GLU A 19 2.355 22.514 -4.535 1.00 0.00 C ATOM 283 OE1 GLU A 19 1.427 22.188 -3.833 1.00 0.00 O ATOM 284 OE2 GLU A 19 3.295 23.157 -4.131 1.00 0.00 O ATOM 285 H GLU A 19 4.054 19.872 -6.917 1.00 0.00 H ATOM 286 HA GLU A 19 2.619 19.880 -4.422 1.00 0.00 H ATOM 287 1HB GLU A 19 1.747 20.511 -7.263 1.00 0.00 H ATOM 288 2HB GLU A 19 0.717 20.731 -5.855 1.00 0.00 H ATOM 289 1HG GLU A 19 3.362 22.113 -6.360 1.00 0.00 H ATOM 290 2HG GLU A 19 1.759 22.819 -6.553 1.00 0.00 H ATOM 291 N LYS A 20 1.862 17.557 -6.620 1.00 0.00 N ATOM 292 CA LYS A 20 1.264 16.233 -6.742 1.00 0.00 C ATOM 293 C LYS A 20 1.875 15.259 -5.743 1.00 0.00 C ATOM 294 O LYS A 20 1.163 14.496 -5.090 1.00 0.00 O ATOM 295 CB LYS A 20 1.429 15.700 -8.166 1.00 0.00 C ATOM 296 CG LYS A 20 0.804 14.332 -8.401 1.00 0.00 C ATOM 297 CD LYS A 20 0.913 13.918 -9.861 1.00 0.00 C ATOM 298 CE LYS A 20 0.299 12.546 -10.097 1.00 0.00 C ATOM 299 NZ LYS A 20 0.365 12.144 -11.528 1.00 0.00 N ATOM 300 H LYS A 20 2.417 17.918 -7.382 1.00 0.00 H ATOM 301 HA LYS A 20 0.195 16.316 -6.540 1.00 0.00 H ATOM 302 1HB LYS A 20 0.979 16.399 -8.871 1.00 0.00 H ATOM 303 2HB LYS A 20 2.490 15.629 -8.407 1.00 0.00 H ATOM 304 1HG LYS A 20 1.310 13.589 -7.784 1.00 0.00 H ATOM 305 2HG LYS A 20 -0.248 14.359 -8.118 1.00 0.00 H ATOM 306 1HD LYS A 20 0.398 14.650 -10.486 1.00 0.00 H ATOM 307 2HD LYS A 20 1.962 13.891 -10.154 1.00 0.00 H ATOM 308 1HE LYS A 20 0.826 11.805 -9.499 1.00 0.00 H ATOM 309 2HE LYS A 20 -0.746 12.557 -9.784 1.00 0.00 H ATOM 310 1HZ LYS A 20 -0.051 11.231 -11.641 1.00 0.00 H ATOM 311 2HZ LYS A 20 -0.137 12.816 -12.091 1.00 0.00 H ATOM 312 3HZ LYS A 20 1.330 12.112 -11.824 1.00 0.00 H ATOM 313 N ALA A 21 3.198 15.288 -5.629 1.00 0.00 N ATOM 314 CA ALA A 21 3.900 14.484 -4.636 1.00 0.00 C ATOM 315 C ALA A 21 3.428 14.814 -3.226 1.00 0.00 C ATOM 316 O ALA A 21 3.233 13.921 -2.401 1.00 0.00 O ATOM 317 CB ALA A 21 5.403 14.691 -4.752 1.00 0.00 C ATOM 318 H ALA A 21 3.732 15.884 -6.246 1.00 0.00 H ATOM 319 HA ALA A 21 3.695 13.431 -4.836 1.00 0.00 H ATOM 320 1HB ALA A 21 5.913 14.084 -4.004 1.00 0.00 H ATOM 321 2HB ALA A 21 5.735 14.396 -5.748 1.00 0.00 H ATOM 322 3HB ALA A 21 5.639 15.741 -4.588 1.00 0.00 H ATOM 323 N ARG A 22 3.244 16.101 -2.955 1.00 0.00 N ATOM 324 CA ARG A 22 2.719 16.547 -1.670 1.00 0.00 C ATOM 325 C ARG A 22 1.358 15.925 -1.386 1.00 0.00 C ATOM 326 O ARG A 22 1.136 15.354 -0.318 1.00 0.00 O ATOM 327 CB ARG A 22 2.598 18.063 -1.638 1.00 0.00 C ATOM 328 CG ARG A 22 1.978 18.628 -0.369 1.00 0.00 C ATOM 329 CD ARG A 22 1.877 20.109 -0.420 1.00 0.00 C ATOM 330 NE ARG A 22 1.081 20.559 -1.551 1.00 0.00 N ATOM 331 CZ ARG A 22 -0.265 20.519 -1.604 1.00 0.00 C ATOM 332 NH1 ARG A 22 -0.949 20.047 -0.585 1.00 0.00 N ATOM 333 NH2 ARG A 22 -0.897 20.953 -2.680 1.00 0.00 N ATOM 334 H ARG A 22 3.474 16.790 -3.658 1.00 0.00 H ATOM 335 HA ARG A 22 3.414 16.240 -0.887 1.00 0.00 H ATOM 336 1HB ARG A 22 3.585 18.509 -1.750 1.00 0.00 H ATOM 337 2HB ARG A 22 1.990 18.398 -2.478 1.00 0.00 H ATOM 338 1HG ARG A 22 0.976 18.220 -0.240 1.00 0.00 H ATOM 339 2HG ARG A 22 2.594 18.356 0.489 1.00 0.00 H ATOM 340 1HD ARG A 22 1.407 20.473 0.493 1.00 0.00 H ATOM 341 2HD ARG A 22 2.873 20.539 -0.512 1.00 0.00 H ATOM 342 HE ARG A 22 1.572 20.929 -2.354 1.00 0.00 H ATOM 343 1HH1 ARG A 22 -0.465 19.715 0.238 1.00 0.00 H ATOM 344 2HH1 ARG A 22 -1.957 20.017 -0.625 1.00 0.00 H ATOM 345 1HH2 ARG A 22 -0.372 21.316 -3.463 1.00 0.00 H ATOM 346 2HH2 ARG A 22 -1.905 20.922 -2.720 1.00 0.00 H ATOM 347 N GLU A 23 0.448 16.040 -2.348 1.00 0.00 N ATOM 348 CA GLU A 23 -0.889 15.476 -2.209 1.00 0.00 C ATOM 349 C GLU A 23 -0.828 13.997 -1.846 1.00 0.00 C ATOM 350 O GLU A 23 -1.505 13.547 -0.922 1.00 0.00 O ATOM 351 CB GLU A 23 -1.683 15.660 -3.505 1.00 0.00 C ATOM 352 CG GLU A 23 -3.096 15.095 -3.462 1.00 0.00 C ATOM 353 CD GLU A 23 -3.846 15.299 -4.749 1.00 0.00 C ATOM 354 OE1 GLU A 23 -3.342 15.983 -5.607 1.00 0.00 O ATOM 355 OE2 GLU A 23 -4.925 14.769 -4.874 1.00 0.00 O ATOM 356 H GLU A 23 0.690 16.530 -3.197 1.00 0.00 H ATOM 357 HA GLU A 23 -1.409 16.010 -1.414 1.00 0.00 H ATOM 358 1HB GLU A 23 -1.754 16.722 -3.739 1.00 0.00 H ATOM 359 2HB GLU A 23 -1.154 15.178 -4.327 1.00 0.00 H ATOM 360 1HG GLU A 23 -3.043 14.027 -3.251 1.00 0.00 H ATOM 361 2HG GLU A 23 -3.642 15.572 -2.649 1.00 0.00 H ATOM 362 N ILE A 24 -0.013 13.246 -2.578 1.00 0.00 N ATOM 363 CA ILE A 24 0.110 11.810 -2.359 1.00 0.00 C ATOM 364 C ILE A 24 0.572 11.507 -0.940 1.00 0.00 C ATOM 365 O ILE A 24 0.015 10.641 -0.266 1.00 0.00 O ATOM 366 CB ILE A 24 1.092 11.183 -3.365 1.00 0.00 C ATOM 367 CG1 ILE A 24 0.516 11.242 -4.782 1.00 0.00 C ATOM 368 CG2 ILE A 24 1.408 9.747 -2.975 1.00 0.00 C ATOM 369 CD1 ILE A 24 1.525 10.937 -5.865 1.00 0.00 C ATOM 370 H ILE A 24 0.536 13.681 -3.306 1.00 0.00 H ATOM 371 HA ILE A 24 -0.868 11.352 -2.513 1.00 0.00 H ATOM 372 HB ILE A 24 2.017 11.758 -3.377 1.00 0.00 H ATOM 373 1HG1 ILE A 24 -0.305 10.531 -4.871 1.00 0.00 H ATOM 374 2HG1 ILE A 24 0.108 12.236 -4.967 1.00 0.00 H ATOM 375 1HG2 ILE A 24 2.103 9.318 -3.696 1.00 0.00 H ATOM 376 2HG2 ILE A 24 1.858 9.730 -1.983 1.00 0.00 H ATOM 377 3HG2 ILE A 24 0.488 9.162 -2.965 1.00 0.00 H ATOM 378 1HD1 ILE A 24 1.042 10.999 -6.840 1.00 0.00 H ATOM 379 2HD1 ILE A 24 2.340 11.660 -5.817 1.00 0.00 H ATOM 380 3HD1 ILE A 24 1.921 9.933 -5.720 1.00 0.00 H ATOM 381 N LEU A 25 1.595 12.227 -0.490 1.00 0.00 N ATOM 382 CA LEU A 25 2.166 12.003 0.833 1.00 0.00 C ATOM 383 C LEU A 25 1.180 12.382 1.930 1.00 0.00 C ATOM 384 O LEU A 25 1.118 11.731 2.973 1.00 0.00 O ATOM 385 CB LEU A 25 3.458 12.814 0.996 1.00 0.00 C ATOM 386 CG LEU A 25 4.644 12.356 0.137 1.00 0.00 C ATOM 387 CD1 LEU A 25 5.762 13.387 0.224 1.00 0.00 C ATOM 388 CD2 LEU A 25 5.120 10.992 0.614 1.00 0.00 C ATOM 389 H LEU A 25 1.987 12.947 -1.080 1.00 0.00 H ATOM 390 HA LEU A 25 2.409 10.944 0.930 1.00 0.00 H ATOM 391 1HB LEU A 25 3.250 13.853 0.746 1.00 0.00 H ATOM 392 2HB LEU A 25 3.768 12.768 2.040 1.00 0.00 H ATOM 393 HG LEU A 25 4.333 12.288 -0.906 1.00 0.00 H ATOM 394 1HD1 LEU A 25 6.604 13.062 -0.387 1.00 0.00 H ATOM 395 2HD1 LEU A 25 5.400 14.348 -0.142 1.00 0.00 H ATOM 396 3HD1 LEU A 25 6.083 13.489 1.260 1.00 0.00 H ATOM 397 1HD2 LEU A 25 5.962 10.666 0.003 1.00 0.00 H ATOM 398 2HD2 LEU A 25 5.432 11.060 1.656 1.00 0.00 H ATOM 399 3HD2 LEU A 25 4.307 10.271 0.525 1.00 0.00 H ATOM 400 N GLU A 26 0.410 13.437 1.688 1.00 0.00 N ATOM 401 CA GLU A 26 -0.623 13.863 2.625 1.00 0.00 C ATOM 402 C GLU A 26 -1.712 12.807 2.762 1.00 0.00 C ATOM 403 O GLU A 26 -2.269 12.612 3.842 1.00 0.00 O ATOM 404 CB GLU A 26 -1.238 15.189 2.174 1.00 0.00 C ATOM 405 CG GLU A 26 -0.328 16.396 2.348 1.00 0.00 C ATOM 406 CD GLU A 26 -0.931 17.666 1.815 1.00 0.00 C ATOM 407 OE1 GLU A 26 -2.034 17.617 1.325 1.00 0.00 O ATOM 408 OE2 GLU A 26 -0.288 18.686 1.897 1.00 0.00 O ATOM 409 H GLU A 26 0.543 13.958 0.833 1.00 0.00 H ATOM 410 HA GLU A 26 -0.162 14.018 3.601 1.00 0.00 H ATOM 411 1HB GLU A 26 -1.511 15.124 1.120 1.00 0.00 H ATOM 412 2HB GLU A 26 -2.153 15.376 2.737 1.00 0.00 H ATOM 413 1HG GLU A 26 -0.113 16.527 3.408 1.00 0.00 H ATOM 414 2HG GLU A 26 0.614 16.204 1.836 1.00 0.00 H ATOM 415 N ARG A 27 -2.012 12.128 1.660 1.00 0.00 N ATOM 416 CA ARG A 27 -2.961 11.020 1.677 1.00 0.00 C ATOM 417 C ARG A 27 -2.421 9.845 2.481 1.00 0.00 C ATOM 418 O ARG A 27 -3.178 9.131 3.139 1.00 0.00 O ATOM 419 CB ARG A 27 -3.273 10.561 0.260 1.00 0.00 C ATOM 420 CG ARG A 27 -4.104 11.534 -0.560 1.00 0.00 C ATOM 421 CD ARG A 27 -4.337 11.033 -1.938 1.00 0.00 C ATOM 422 NE ARG A 27 -5.008 12.020 -2.769 1.00 0.00 N ATOM 423 CZ ARG A 27 -6.341 12.207 -2.808 1.00 0.00 C ATOM 424 NH1 ARG A 27 -7.132 11.469 -2.061 1.00 0.00 N ATOM 425 NH2 ARG A 27 -6.855 13.133 -3.599 1.00 0.00 N ATOM 426 H ARG A 27 -1.572 12.385 0.788 1.00 0.00 H ATOM 427 HA ARG A 27 -3.887 11.365 2.139 1.00 0.00 H ATOM 428 1HB ARG A 27 -2.342 10.387 -0.279 1.00 0.00 H ATOM 429 2HB ARG A 27 -3.812 9.614 0.295 1.00 0.00 H ATOM 430 1HG ARG A 27 -5.072 11.680 -0.080 1.00 0.00 H ATOM 431 2HG ARG A 27 -3.585 12.491 -0.626 1.00 0.00 H ATOM 432 1HD ARG A 27 -3.382 10.789 -2.403 1.00 0.00 H ATOM 433 2HD ARG A 27 -4.960 10.140 -1.900 1.00 0.00 H ATOM 434 HE ARG A 27 -4.433 12.607 -3.358 1.00 0.00 H ATOM 435 1HH1 ARG A 27 -6.739 10.761 -1.456 1.00 0.00 H ATOM 436 2HH1 ARG A 27 -8.131 11.609 -2.090 1.00 0.00 H ATOM 437 1HH2 ARG A 27 -6.248 13.701 -4.174 1.00 0.00 H ATOM 438 2HH2 ARG A 27 -7.854 13.274 -3.628 1.00 0.00 H ATOM 439 N LEU A 28 -1.108 9.649 2.426 1.00 0.00 N ATOM 440 CA LEU A 28 -0.451 8.628 3.232 1.00 0.00 C ATOM 441 C LEU A 28 -0.465 9.000 4.710 1.00 0.00 C ATOM 442 O LEU A 28 -0.481 8.128 5.579 1.00 0.00 O ATOM 443 CB LEU A 28 0.996 8.431 2.762 1.00 0.00 C ATOM 444 CG LEU A 28 1.165 7.779 1.384 1.00 0.00 C ATOM 445 CD1 LEU A 28 2.643 7.734 1.021 1.00 0.00 C ATOM 446 CD2 LEU A 28 0.565 6.381 1.408 1.00 0.00 C ATOM 447 H LEU A 28 -0.551 10.222 1.808 1.00 0.00 H ATOM 448 HA LEU A 28 -0.990 7.690 3.109 1.00 0.00 H ATOM 449 1HB LEU A 28 1.486 9.403 2.731 1.00 0.00 H ATOM 450 2HB LEU A 28 1.516 7.809 3.490 1.00 0.00 H ATOM 451 HG LEU A 28 0.654 8.381 0.632 1.00 0.00 H ATOM 452 1HD1 LEU A 28 2.763 7.271 0.042 1.00 0.00 H ATOM 453 2HD1 LEU A 28 3.041 8.749 0.993 1.00 0.00 H ATOM 454 3HD1 LEU A 28 3.183 7.152 1.766 1.00 0.00 H ATOM 455 1HD2 LEU A 28 0.684 5.917 0.428 1.00 0.00 H ATOM 456 2HD2 LEU A 28 1.076 5.778 2.159 1.00 0.00 H ATOM 457 3HD2 LEU A 28 -0.496 6.444 1.652 1.00 0.00 H ATOM 458 N GLY A 29 -0.460 10.299 4.988 1.00 0.00 N ATOM 459 CA GLY A 29 -0.656 10.792 6.346 1.00 0.00 C ATOM 460 C GLY A 29 0.526 11.639 6.800 1.00 0.00 C ATOM 461 O GLY A 29 0.899 11.623 7.973 1.00 0.00 O ATOM 462 H GLY A 29 -0.316 10.962 4.239 1.00 0.00 H ATOM 463 1HA GLY A 29 -1.570 11.385 6.389 1.00 0.00 H ATOM 464 2HA GLY A 29 -0.786 9.950 7.024 1.00 0.00 H ATOM 465 N TYR A 30 1.112 12.378 5.865 1.00 0.00 N ATOM 466 CA TYR A 30 2.124 13.374 6.197 1.00 0.00 C ATOM 467 C TYR A 30 1.529 14.776 6.221 1.00 0.00 C ATOM 468 O TYR A 30 0.577 15.069 5.499 1.00 0.00 O ATOM 469 CB TYR A 30 3.287 13.308 5.205 1.00 0.00 C ATOM 470 CG TYR A 30 4.135 12.062 5.341 1.00 0.00 C ATOM 471 CD1 TYR A 30 3.935 10.991 4.482 1.00 0.00 C ATOM 472 CD2 TYR A 30 5.110 11.990 6.323 1.00 0.00 C ATOM 473 CE1 TYR A 30 4.709 9.853 4.605 1.00 0.00 C ATOM 474 CE2 TYR A 30 5.884 10.853 6.447 1.00 0.00 C ATOM 475 CZ TYR A 30 5.686 9.787 5.592 1.00 0.00 C ATOM 476 OH TYR A 30 6.457 8.654 5.715 1.00 0.00 O ATOM 477 H TYR A 30 0.851 12.247 4.898 1.00 0.00 H ATOM 478 HA TYR A 30 2.516 13.151 7.189 1.00 0.00 H ATOM 479 1HB TYR A 30 2.900 13.347 4.186 1.00 0.00 H ATOM 480 2HB TYR A 30 3.933 14.175 5.343 1.00 0.00 H ATOM 481 HD1 TYR A 30 3.168 11.047 3.709 1.00 0.00 H ATOM 482 HD2 TYR A 30 5.266 12.831 6.999 1.00 0.00 H ATOM 483 HE1 TYR A 30 4.553 9.012 3.930 1.00 0.00 H ATOM 484 HE2 TYR A 30 6.651 10.796 7.220 1.00 0.00 H ATOM 485 HH TYR A 30 7.069 8.763 6.447 1.00 0.00 H ATOM 486 N SER A 31 2.097 15.640 7.055 1.00 0.00 N ATOM 487 CA SER A 31 1.713 17.047 7.081 1.00 0.00 C ATOM 488 C SER A 31 2.229 17.781 5.850 1.00 0.00 C ATOM 489 O SER A 31 3.093 17.279 5.133 1.00 0.00 O ATOM 490 CB SER A 31 2.244 17.710 8.337 1.00 0.00 C ATOM 491 OG SER A 31 3.643 17.794 8.307 1.00 0.00 O ATOM 492 H SER A 31 2.814 15.315 7.688 1.00 0.00 H ATOM 493 HA SER A 31 0.624 17.108 7.085 1.00 0.00 H ATOM 494 1HB SER A 31 1.819 18.709 8.428 1.00 0.00 H ATOM 495 2HB SER A 31 1.930 17.140 9.210 1.00 0.00 H ATOM 496 HG SER A 31 3.965 16.931 8.574 1.00 0.00 H ATOM 497 N GLU A 32 1.693 18.973 5.611 1.00 0.00 N ATOM 498 CA GLU A 32 2.096 19.779 4.465 1.00 0.00 C ATOM 499 C GLU A 32 3.600 20.021 4.463 1.00 0.00 C ATOM 500 O GLU A 32 4.268 19.832 3.447 1.00 0.00 O ATOM 501 CB GLU A 32 1.354 21.117 4.465 1.00 0.00 C ATOM 502 CG GLU A 32 1.689 22.022 3.289 1.00 0.00 C ATOM 503 CD GLU A 32 0.936 23.323 3.319 1.00 0.00 C ATOM 504 OE1 GLU A 32 0.139 23.506 4.207 1.00 0.00 O ATOM 505 OE2 GLU A 32 1.159 24.136 2.452 1.00 0.00 O ATOM 506 H GLU A 32 0.988 19.331 6.240 1.00 0.00 H ATOM 507 HA GLU A 32 1.827 19.242 3.554 1.00 0.00 H ATOM 508 1HB GLU A 32 0.279 20.937 4.453 1.00 0.00 H ATOM 509 2HB GLU A 32 1.584 21.660 5.382 1.00 0.00 H ATOM 510 1HG GLU A 32 2.758 22.234 3.300 1.00 0.00 H ATOM 511 2HG GLU A 32 1.460 21.497 2.363 1.00 0.00 H ATOM 512 N ASP A 33 4.128 20.440 5.608 1.00 0.00 N ATOM 513 CA ASP A 33 5.553 20.718 5.739 1.00 0.00 C ATOM 514 C ASP A 33 6.385 19.473 5.456 1.00 0.00 C ATOM 515 O ASP A 33 7.371 19.528 4.722 1.00 0.00 O ATOM 516 CB ASP A 33 5.871 21.244 7.141 1.00 0.00 C ATOM 517 CG ASP A 33 5.359 22.659 7.373 1.00 0.00 C ATOM 518 OD1 ASP A 33 5.036 23.318 6.413 1.00 0.00 O ATOM 519 OD2 ASP A 33 5.297 23.068 8.508 1.00 0.00 O ATOM 520 H ASP A 33 3.526 20.570 6.409 1.00 0.00 H ATOM 521 HA ASP A 33 5.822 21.490 5.017 1.00 0.00 H ATOM 522 1HB ASP A 33 5.425 20.585 7.886 1.00 0.00 H ATOM 523 2HB ASP A 33 6.950 21.233 7.298 1.00 0.00 H ATOM 524 N GLU A 34 5.981 18.352 6.043 1.00 0.00 N ATOM 525 CA GLU A 34 6.675 17.087 5.837 1.00 0.00 C ATOM 526 C GLU A 34 6.588 16.641 4.383 1.00 0.00 C ATOM 527 O GLU A 34 7.575 16.189 3.802 1.00 0.00 O ATOM 528 CB GLU A 34 6.093 16.004 6.748 1.00 0.00 C ATOM 529 CG GLU A 34 6.450 16.162 8.220 1.00 0.00 C ATOM 530 CD GLU A 34 5.668 15.240 9.113 1.00 0.00 C ATOM 531 OE1 GLU A 34 4.475 15.153 8.947 1.00 0.00 O ATOM 532 OE2 GLU A 34 6.264 14.622 9.964 1.00 0.00 O ATOM 533 H GLU A 34 5.172 18.377 6.647 1.00 0.00 H ATOM 534 HA GLU A 34 7.725 17.221 6.099 1.00 0.00 H ATOM 535 1HB GLU A 34 5.006 16.005 6.666 1.00 0.00 H ATOM 536 2HB GLU A 34 6.444 15.025 6.422 1.00 0.00 H ATOM 537 1HG GLU A 34 7.512 15.959 8.349 1.00 0.00 H ATOM 538 2HG GLU A 34 6.266 17.193 8.519 1.00 0.00 H ATOM 539 N ALA A 35 5.401 16.770 3.800 1.00 0.00 N ATOM 540 CA ALA A 35 5.165 16.317 2.434 1.00 0.00 C ATOM 541 C ALA A 35 5.981 17.128 1.436 1.00 0.00 C ATOM 542 O ALA A 35 6.543 16.579 0.488 1.00 0.00 O ATOM 543 CB ALA A 35 3.683 16.400 2.097 1.00 0.00 C ATOM 544 H ALA A 35 4.643 17.193 4.316 1.00 0.00 H ATOM 545 HA ALA A 35 5.462 15.270 2.361 1.00 0.00 H ATOM 546 1HB ALA A 35 3.523 16.059 1.075 1.00 0.00 H ATOM 547 2HB ALA A 35 3.118 15.769 2.783 1.00 0.00 H ATOM 548 3HB ALA A 35 3.346 17.431 2.192 1.00 0.00 H ATOM 549 N ARG A 36 6.043 18.437 1.655 1.00 0.00 N ATOM 550 CA ARG A 36 6.822 19.321 0.796 1.00 0.00 C ATOM 551 C ARG A 36 8.310 19.006 0.887 1.00 0.00 C ATOM 552 O ARG A 36 9.002 18.934 -0.129 1.00 0.00 O ATOM 553 CB ARG A 36 6.591 20.776 1.176 1.00 0.00 C ATOM 554 CG ARG A 36 5.228 21.329 0.791 1.00 0.00 C ATOM 555 CD ARG A 36 5.118 22.779 1.092 1.00 0.00 C ATOM 556 NE ARG A 36 3.782 23.289 0.827 1.00 0.00 N ATOM 557 CZ ARG A 36 3.293 23.548 -0.402 1.00 0.00 C ATOM 558 NH1 ARG A 36 4.039 23.340 -1.464 1.00 0.00 N ATOM 559 NH2 ARG A 36 2.062 24.010 -0.538 1.00 0.00 N ATOM 560 H ARG A 36 5.537 18.830 2.435 1.00 0.00 H ATOM 561 HA ARG A 36 6.496 19.178 -0.235 1.00 0.00 H ATOM 562 1HB ARG A 36 6.702 20.893 2.253 1.00 0.00 H ATOM 563 2HB ARG A 36 7.347 21.401 0.699 1.00 0.00 H ATOM 564 1HG ARG A 36 5.066 21.187 -0.278 1.00 0.00 H ATOM 565 2HG ARG A 36 4.451 20.803 1.348 1.00 0.00 H ATOM 566 1HD ARG A 36 5.345 22.950 2.144 1.00 0.00 H ATOM 567 2HD ARG A 36 5.824 23.333 0.474 1.00 0.00 H ATOM 568 HE ARG A 36 3.179 23.461 1.619 1.00 0.00 H ATOM 569 1HH1 ARG A 36 4.980 22.987 -1.359 1.00 0.00 H ATOM 570 2HH1 ARG A 36 3.672 23.534 -2.384 1.00 0.00 H ATOM 571 1HH2 ARG A 36 1.489 24.170 0.278 1.00 0.00 H ATOM 572 2HH2 ARG A 36 1.696 24.204 -1.458 1.00 0.00 H ATOM 573 N GLU A 37 8.797 18.819 2.109 1.00 0.00 N ATOM 574 CA GLU A 37 10.193 18.462 2.331 1.00 0.00 C ATOM 575 C GLU A 37 10.539 17.143 1.651 1.00 0.00 C ATOM 576 O GLU A 37 11.529 17.049 0.926 1.00 0.00 O ATOM 577 CB GLU A 37 10.487 18.367 3.829 1.00 0.00 C ATOM 578 CG GLU A 37 11.921 17.982 4.165 1.00 0.00 C ATOM 579 CD GLU A 37 12.171 17.894 5.645 1.00 0.00 C ATOM 580 OE1 GLU A 37 11.342 18.348 6.397 1.00 0.00 O ATOM 581 OE2 GLU A 37 13.194 17.373 6.024 1.00 0.00 O ATOM 582 H GLU A 37 8.184 18.926 2.904 1.00 0.00 H ATOM 583 HA GLU A 37 10.822 19.247 1.910 1.00 0.00 H ATOM 584 1HB GLU A 37 10.280 19.328 4.302 1.00 0.00 H ATOM 585 2HB GLU A 37 9.827 17.629 4.284 1.00 0.00 H ATOM 586 1HG GLU A 37 12.141 17.015 3.714 1.00 0.00 H ATOM 587 2HG GLU A 37 12.595 18.717 3.730 1.00 0.00 H ATOM 588 N LEU A 38 9.717 16.126 1.891 1.00 0.00 N ATOM 589 CA LEU A 38 9.954 14.802 1.330 1.00 0.00 C ATOM 590 C LEU A 38 9.921 14.834 -0.192 1.00 0.00 C ATOM 591 O LEU A 38 10.720 14.173 -0.855 1.00 0.00 O ATOM 592 CB LEU A 38 8.905 13.811 1.850 1.00 0.00 C ATOM 593 CG LEU A 38 9.027 13.427 3.330 1.00 0.00 C ATOM 594 CD1 LEU A 38 7.812 12.609 3.745 1.00 0.00 C ATOM 595 CD2 LEU A 38 10.314 12.644 3.547 1.00 0.00 C ATOM 596 H LEU A 38 8.908 16.275 2.477 1.00 0.00 H ATOM 597 HA LEU A 38 10.939 14.461 1.651 1.00 0.00 H ATOM 598 1HB LEU A 38 7.916 14.242 1.700 1.00 0.00 H ATOM 599 2HB LEU A 38 8.971 12.895 1.263 1.00 0.00 H ATOM 600 HG LEU A 38 9.045 14.331 3.940 1.00 0.00 H ATOM 601 1HD1 LEU A 38 7.899 12.337 4.797 1.00 0.00 H ATOM 602 2HD1 LEU A 38 6.908 13.200 3.598 1.00 0.00 H ATOM 603 3HD1 LEU A 38 7.758 11.705 3.140 1.00 0.00 H ATOM 604 1HD2 LEU A 38 10.401 12.372 4.599 1.00 0.00 H ATOM 605 2HD2 LEU A 38 10.296 11.740 2.938 1.00 0.00 H ATOM 606 3HD2 LEU A 38 11.167 13.259 3.259 1.00 0.00 H ATOM 607 N ALA A 39 8.991 15.608 -0.742 1.00 0.00 N ATOM 608 CA ALA A 39 8.885 15.769 -2.188 1.00 0.00 C ATOM 609 C ALA A 39 10.178 16.318 -2.777 1.00 0.00 C ATOM 610 O ALA A 39 10.640 15.859 -3.822 1.00 0.00 O ATOM 611 CB ALA A 39 7.717 16.680 -2.535 1.00 0.00 C ATOM 612 H ALA A 39 8.341 16.096 -0.144 1.00 0.00 H ATOM 613 HA ALA A 39 8.686 14.793 -2.631 1.00 0.00 H ATOM 614 1HB ALA A 39 7.651 16.791 -3.617 1.00 0.00 H ATOM 615 2HB ALA A 39 6.792 16.246 -2.158 1.00 0.00 H ATOM 616 3HB ALA A 39 7.871 17.657 -2.079 1.00 0.00 H ATOM 617 N LYS A 40 10.760 17.303 -2.100 1.00 0.00 N ATOM 618 CA LYS A 40 12.028 17.881 -2.527 1.00 0.00 C ATOM 619 C LYS A 40 13.163 16.873 -2.400 1.00 0.00 C ATOM 620 O LYS A 40 14.054 16.816 -3.248 1.00 0.00 O ATOM 621 CB LYS A 40 12.346 19.136 -1.713 1.00 0.00 C ATOM 622 CG LYS A 40 11.445 20.326 -2.014 1.00 0.00 C ATOM 623 CD LYS A 40 11.796 21.520 -1.140 1.00 0.00 C ATOM 624 CE LYS A 40 10.889 22.707 -1.432 1.00 0.00 C ATOM 625 NZ LYS A 40 11.205 23.875 -0.566 1.00 0.00 N ATOM 626 H LYS A 40 10.311 17.660 -1.269 1.00 0.00 H ATOM 627 HA LYS A 40 11.939 18.177 -3.573 1.00 0.00 H ATOM 628 1HB LYS A 40 12.259 18.911 -0.650 1.00 0.00 H ATOM 629 2HB LYS A 40 13.376 19.440 -1.900 1.00 0.00 H ATOM 630 1HG LYS A 40 11.554 20.609 -3.062 1.00 0.00 H ATOM 631 2HG LYS A 40 10.406 20.049 -1.837 1.00 0.00 H ATOM 632 1HD LYS A 40 11.693 21.245 -0.089 1.00 0.00 H ATOM 633 2HD LYS A 40 12.830 21.813 -1.321 1.00 0.00 H ATOM 634 1HE LYS A 40 11.001 23.002 -2.474 1.00 0.00 H ATOM 635 2HE LYS A 40 9.850 22.420 -1.267 1.00 0.00 H ATOM 636 1HZ LYS A 40 10.583 24.639 -0.790 1.00 0.00 H ATOM 637 2HZ LYS A 40 11.087 23.618 0.404 1.00 0.00 H ATOM 638 3HZ LYS A 40 12.160 24.163 -0.724 1.00 0.00 H ATOM 639 N ARG A 41 13.126 16.078 -1.336 1.00 0.00 N ATOM 640 CA ARG A 41 14.133 15.047 -1.114 1.00 0.00 C ATOM 641 C ARG A 41 14.026 13.940 -2.154 1.00 0.00 C ATOM 642 O ARG A 41 15.036 13.401 -2.608 1.00 0.00 O ATOM 643 CB ARG A 41 13.988 14.449 0.278 1.00 0.00 C ATOM 644 CG ARG A 41 14.395 15.370 1.416 1.00 0.00 C ATOM 645 CD ARG A 41 14.278 14.698 2.736 1.00 0.00 C ATOM 646 NE ARG A 41 14.589 15.600 3.833 1.00 0.00 N ATOM 647 CZ ARG A 41 15.835 15.892 4.253 1.00 0.00 C ATOM 648 NH1 ARG A 41 16.874 15.347 3.660 1.00 0.00 N ATOM 649 NH2 ARG A 41 16.014 16.726 5.263 1.00 0.00 N ATOM 650 H ARG A 41 12.381 16.191 -0.663 1.00 0.00 H ATOM 651 HA ARG A 41 15.120 15.505 -1.191 1.00 0.00 H ATOM 652 1HB ARG A 41 12.951 14.159 0.442 1.00 0.00 H ATOM 653 2HB ARG A 41 14.596 13.546 0.350 1.00 0.00 H ATOM 654 1HG ARG A 41 15.431 15.681 1.280 1.00 0.00 H ATOM 655 2HG ARG A 41 13.750 16.250 1.421 1.00 0.00 H ATOM 656 1HD ARG A 41 13.259 14.336 2.870 1.00 0.00 H ATOM 657 2HD ARG A 41 14.970 13.858 2.778 1.00 0.00 H ATOM 658 HE ARG A 41 13.816 16.038 4.315 1.00 0.00 H ATOM 659 1HH1 ARG A 41 16.738 14.709 2.888 1.00 0.00 H ATOM 660 2HH1 ARG A 41 17.808 15.566 3.975 1.00 0.00 H ATOM 661 1HH2 ARG A 41 15.215 17.145 5.719 1.00 0.00 H ATOM 662 2HH2 ARG A 41 16.947 16.945 5.578 1.00 0.00 H ATOM 663 N LEU A 42 12.796 13.603 -2.528 1.00 0.00 N ATOM 664 CA LEU A 42 12.554 12.544 -3.501 1.00 0.00 C ATOM 665 C LEU A 42 12.914 12.998 -4.909 1.00 0.00 C ATOM 666 O LEU A 42 13.381 12.205 -5.727 1.00 0.00 O ATOM 667 CB LEU A 42 11.083 12.111 -3.457 1.00 0.00 C ATOM 668 CG LEU A 42 10.649 11.359 -2.193 1.00 0.00 C ATOM 669 CD1 LEU A 42 9.139 11.162 -2.212 1.00 0.00 C ATOM 670 CD2 LEU A 42 11.373 10.023 -2.122 1.00 0.00 C ATOM 671 H LEU A 42 12.009 14.093 -2.127 1.00 0.00 H ATOM 672 HA LEU A 42 13.175 11.686 -3.240 1.00 0.00 H ATOM 673 1HB LEU A 42 10.457 12.997 -3.547 1.00 0.00 H ATOM 674 2HB LEU A 42 10.886 11.464 -4.312 1.00 0.00 H ATOM 675 HG LEU A 42 10.896 11.953 -1.313 1.00 0.00 H ATOM 676 1HD1 LEU A 42 8.830 10.628 -1.313 1.00 0.00 H ATOM 677 2HD1 LEU A 42 8.646 12.134 -2.243 1.00 0.00 H ATOM 678 3HD1 LEU A 42 8.859 10.584 -3.092 1.00 0.00 H ATOM 679 1HD2 LEU A 42 11.065 9.489 -1.223 1.00 0.00 H ATOM 680 2HD2 LEU A 42 11.125 9.427 -3.001 1.00 0.00 H ATOM 681 3HD2 LEU A 42 12.449 10.194 -2.092 1.00 0.00 H ATOM 682 N ARG A 43 12.695 14.279 -5.187 1.00 0.00 N ATOM 683 CA ARG A 43 13.023 14.848 -6.489 1.00 0.00 C ATOM 684 C ARG A 43 14.508 14.703 -6.796 1.00 0.00 C ATOM 685 O ARG A 43 15.341 14.694 -5.890 1.00 0.00 O ATOM 686 OXT ARG A 43 14.878 14.595 -7.933 1.00 0.00 O ATOM 687 CB ARG A 43 12.638 16.319 -6.543 1.00 0.00 C ATOM 688 CG ARG A 43 12.812 16.976 -7.903 1.00 0.00 C ATOM 689 CD ARG A 43 12.292 18.367 -7.911 1.00 0.00 C ATOM 690 NE ARG A 43 12.509 19.020 -9.192 1.00 0.00 N ATOM 691 CZ ARG A 43 12.096 20.266 -9.495 1.00 0.00 C ATOM 692 NH1 ARG A 43 11.447 20.979 -8.602 1.00 0.00 N ATOM 693 NH2 ARG A 43 12.343 20.772 -10.691 1.00 0.00 N ATOM 694 H ARG A 43 12.292 14.874 -4.478 1.00 0.00 H ATOM 695 HA ARG A 43 12.454 14.315 -7.252 1.00 0.00 H ATOM 696 1HB ARG A 43 11.595 16.433 -6.253 1.00 0.00 H ATOM 697 2HB ARG A 43 13.240 16.879 -5.826 1.00 0.00 H ATOM 698 1HG ARG A 43 13.871 17.005 -8.160 1.00 0.00 H ATOM 699 2HG ARG A 43 12.271 16.403 -8.656 1.00 0.00 H ATOM 700 1HD ARG A 43 11.220 18.356 -7.712 1.00 0.00 H ATOM 701 2HD ARG A 43 12.797 18.950 -7.142 1.00 0.00 H ATOM 702 HE ARG A 43 13.005 18.503 -9.905 1.00 0.00 H ATOM 703 1HH1 ARG A 43 11.257 20.593 -7.688 1.00 0.00 H ATOM 704 2HH1 ARG A 43 11.137 21.913 -8.830 1.00 0.00 H ATOM 705 1HH2 ARG A 43 12.843 20.223 -11.378 1.00 0.00 H ATOM 706 2HH2 ARG A 43 12.034 21.705 -10.919 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE nods_bigger.blueprint.34_try134_pass_20150520023816_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 rama omega fa_dun p_aa_pp ref total weights 0.8 0.44 0.75 0.004 0.7 1 1.17 1.17 1.17 1.1 1 0.2 0.5 0.56 0.32 1 NA pose -175.54 15.3061 106.65 0.26651 -27.2282 0.06525 -23.7238 -1.89542 -0.92439 -10.4785 0 -5.79612 2.72975 46.1756 -6.49682 -14.141 -95.0306 PRO:NtermProteinFull_1 -2.15875 0.38881 1.52986 0.00732 -0.0454 0.06354 0 0 0 0 0 0 0.00033 0.15549 0 -0.21929 -0.2781 PRO_2 -2.61175 0.2875 1.4084 0.00096 -0.15171 0.00171 0 0 0 0 0 -0.04884 0.0011 0.12671 -0.32531 -0.21929 -1.53051 ASP_3 -3.37416 0.47777 2.66033 0.0033 -0.93387 0 0 0 0 -0.33313 0 -0.07065 0.00286 1.37649 0.0601 -1.28682 -1.4178 ASP_4 -3.43873 0.24105 2.18661 0.00336 -0.15524 0 0 0 0 0 0 -0.17598 0.01506 1.32205 -0.01276 -1.28682 -1.3014 GLU_5 -4.98942 0.43702 3.06286 0.0051 -1.15904 0 0 0 0 -0.40808 0 -0.25248 0.20424 2.34414 -0.16272 -1.55374 -2.47212 ARG_6 -4.98751 0.3224 3.26086 0.01726 -1.15068 0 0 0 0 -0.33313 0 -0.22434 0.14505 2.2475 -0.09245 -0.14916 -0.94419 LYS_7 -4.18224 0.32771 2.92652 0.01327 -1.18554 0 0 0 0 -0.3974 0 -0.23166 0.22728 2.50493 -0.04184 -0.28737 -0.32635 LYS_8 -4.50256 0.35692 2.81 0.00312 -1.16014 0 0 0 0 -0.40808 0 -0.18132 0.0641 0.87728 -0.04659 -0.28737 -2.47463 ALA_9 -4.51838 0.35832 1.72742 0.00074 -0.23317 0 0 0 0 0 0 -0.17951 0.0813 0 -0.18529 0.59294 -2.35562 GLU_10 -6.08111 0.616 4.1588 0.00758 -1.91882 0 0 0 0 -1.00152 0 -0.09483 0.00673 2.12983 -0.10954 -1.55374 -3.84062 LYS_11 -3.51139 0.21961 1.9896 0.00311 -0.26496 0 0 0 0 0 0 -0.1821 0.0196 0.83534 -0.04921 -0.28737 -1.22779 ALA_12 -4.68203 0.38579 2.52364 0.00072 -0.56178 0 0 0 0 0 0 -0.07495 0.00087 0 -0.12623 0.59294 -1.94102 ALA_13 -4.58706 0.32167 2.0836 0.00073 -0.18523 0 0 0 0 0 0 -0.13868 0.0053 0 -0.16788 0.59294 -2.0746 ARG_14 -4.61337 0.49098 3.56352 0.00993 -1.05008 0 0 0 0 -0.60412 0 -0.2469 0.00092 1.62983 -0.09268 -0.14916 -1.06115 SER_15 -2.56092 0.26873 2.34737 0.0036 -0.58738 0 0 0 0 -0.36597 0 -0.26197 0.00365 0.12011 -0.22155 0.17658 -1.07775 GLY_16 -1.70658 0.40065 1.25535 1e-05 -0.25704 0 0 0 0 0 0 -0.11731 0.00134 0 -0.80738 0.14053 -1.09043 ASN_17 -4.16138 0.30712 2.80686 0.00436 -0.46412 0 0 0 0 -0.36597 0 0.04089 4e-05 1.52222 -0.29746 -0.94198 -1.54942 GLU_18 -3.92314 0.17175 2.72239 0.00453 -0.90556 0 0 0 0 -0.28826 0 -0.29901 0.03504 2.19416 -0.13201 -1.55374 -1.97386 GLU_19 -3.66563 0.32413 3.22116 0.00573 -1.78473 0 0 0 0 -0.90414 0 -0.2419 0.23522 2.42311 -0.1595 -1.55374 -2.10029 LYS_20 -3.53048 0.27115 1.64922 0.00528 -0.03378 0 0 0 0 0 0 -0.16149 0.12014 0.96682 -0.04092 -0.28737 -1.04144 ALA_21 -4.5795 0.32732 1.91419 0.00074 -0.15392 0 0 0 0 0 0 -0.15183 0.06783 0 -0.183 0.59294 -2.16523 ARG_22 -7.38913 0.80712 5.47288 0.0165 -1.81315 0 0 0 0 -0.8864 0 0.00819 0.00243 1.45389 -0.06733 -0.14916 -2.54415 GLU_23 -4.32727 0.35924 3.11095 0.00739 -1.00015 0 0 0 0 -0.30991 0 -0.06869 0.01512 2.11483 -0.08658 -1.55374 -1.73881 ILE_24 -5.14152 0.3807 2.10284 0.02001 -0.28169 0 0 0 0 0 0 0.00663 0.02597 0.07797 -0.07245 0.8318 -2.04973 LEU_25 -6.29191 0.60906 1.93184 0.00633 -0.44808 0 0 0 0 0 0 -0.13301 0.05272 0.19131 -0.12769 0.60233 -3.60711 GLU_26 -5.21159 0.46813 3.79232 0.00449 -0.97529 0 0 0 0 -0.41016 0 -0.2665 0.11655 2.17082 -0.13272 -1.55374 -1.99769 ARG_27 -3.12116 0.34492 2.1248 0.00955 -0.83162 0 0 0 0 -0.30991 0 -0.2353 0.12502 1.56247 -0.09962 -0.14916 -0.58001 LEU_28 -3.59915 0.36493 1.01653 0.00788 0.02516 0 0 0 0 0 0 -0.15779 0.36387 0.12863 -0.11268 0.60233 -1.3603 GLY_29 -1.55631 0.15211 0.9206 4e-05 0.0719 0 0 0 0 0 0 0.37368 0.40008 0 -1.10109 0.14053 -0.59846 TYR_30 -4.40181 0.26786 1.68962 0.02276 -0.02514 0 0 0 0 0 0 -0.17183 0.19063 1.38697 -0.18947 0.1317 -1.09871 SER_31 -3.06353 0.38243 2.51461 0.00151 -0.97938 0 0 0 -0.46219 -0.27145 0 -0.26148 5e-05 0.07255 -0.26838 0.17658 -2.15868 GLU_32 -3.58705 0.33395 2.7161 0.00715 -0.98549 0 0 0 0 -0.5189 0 -0.09446 0.00095 2.09166 -0.09955 -1.55374 -1.68938 ASP_33 -2.3669 0.19309 1.64079 0.00334 -0.09533 0 0 0 0 0 0 -0.05779 0.00559 1.30999 0.06018 -1.28682 -0.59385 GLU_34 -4.41747 0.36331 3.01767 0.00339 -0.95763 0 0 0 -0.46219 -0.27145 0 -0.20567 0.05135 2.73973 -0.1132 -1.55374 -1.80591 ALA_35 -4.56511 0.42683 1.91518 0.00073 -0.28516 0 0 0 0 0 0 -0.15847 0.01541 0 -0.15925 0.59294 -2.21689 ARG_36 -5.53874 0.39561 4.08471 0.01034 -1.68801 0 0 0 0 -0.94681 0 -0.15045 0.02739 1.84495 -0.06483 -0.14916 -2.17499 GLU_37 -4.05568 0.28031 2.74074 0.00742 -0.94947 0 0 0 0 -0.42773 0 -0.10629 0.01297 2.19478 -0.10977 -1.55374 -1.96645 LEU_38 -4.75746 0.56845 1.96119 0.00678 -0.33953 0 0 0 0 0 0 -0.10895 0.02969 0.24608 -0.1229 0.60233 -1.91433 ALA_39 -4.09055 0.25309 1.89021 0.00074 -0.20269 0 0 0 0 0 0 -0.14295 0.02948 0 -0.17701 0.59294 -1.84675 LYS_40 -3.30876 0.19977 2.17196 0.00311 -0.00121 0 0 0 0 0 0 -0.23114 0.01284 0.75539 -0.03515 -0.28737 -0.72056 ARG_41 -3.41212 0.20027 2.27996 0.00957 -0.67723 0 0 0 0 -0.42773 0 -0.21305 0.00465 1.56852 -0.10013 -0.14916 -0.91645 LEU_42 -4.61261 0.44458 2.21267 0.00689 0.20028 0 0 0 0 0 0 -0.12595 0.009 0.16768 -0.12297 0.60233 -1.2181 ARG:CtermProteinFull_43 -4.35775 0.20791 3.53343 0.00983 -0.64712 0 0 0 0 -0.28826 0 0 0 1.32138 0 -0.14916 -0.36975 #END_POSE_ENERGIES_TABLE nods_bigger.blueprint.34_try134_pass_20150520023816_0001.pdb AlaCount 6 bb -0.0440693 buried_minus_exposed 3578.27 buried_np 5061.13 buried_over_exposed 3.41305 cavity_volume 0 contact_all 204 contact_core_SASA 204 contact_core_SCN 204 degree 10.814 degree_core_SASA 10.814 degree_core_SCN 10.814 exposed_hydrophobics 1482.87 holes -0.45674 mismatch_probability 0.137319 one_core_each 0.666667 pack 0.696486 percent_core_SASA 0.0232504 percent_core_SCN 0.116252 res_count_core_SASA 1 res_count_core_SCN 5 ss_sc 0.770026 two_core_each 0.333333 unsat_hbond 1
HHH_rd2_0158.pdb
ATOM 1 N PRO A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA PRO A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C PRO A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O PRO A 1 3.141 1.657 0.421 1.00 0.00 O ATOM 5 CB PRO A 1 1.803 -0.740 -1.297 1.00 0.00 C ATOM 6 CG PRO A 1 0.659 -0.439 -2.204 1.00 0.00 C ATOM 7 CD PRO A 1 -0.546 -0.444 -1.302 1.00 0.00 C ATOM 8 1H PRO A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 9 2H PRO A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 10 HA PRO A 1 1.820 -0.555 0.878 1.00 0.00 H ATOM 11 1HB PRO A 1 2.765 -0.381 -1.690 1.00 0.00 H ATOM 12 2HB PRO A 1 1.917 -1.815 -1.097 1.00 0.00 H ATOM 13 1HG PRO A 1 0.813 0.531 -2.700 1.00 0.00 H ATOM 14 2HG PRO A 1 0.596 -1.196 -3.000 1.00 0.00 H ATOM 15 1HD PRO A 1 -1.295 0.264 -1.686 1.00 0.00 H ATOM 16 2HD PRO A 1 -0.963 -1.461 -1.252 1.00 0.00 H ATOM 17 N GLN A 2 1.201 2.363 -0.475 1.00 0.00 N ATOM 18 CA GLN A 2 1.637 3.748 -0.610 1.00 0.00 C ATOM 19 C GLN A 2 1.944 4.363 0.749 1.00 0.00 C ATOM 20 O GLN A 2 2.929 5.084 0.906 1.00 0.00 O ATOM 21 CB GLN A 2 0.570 4.577 -1.330 1.00 0.00 C ATOM 22 CG GLN A 2 0.402 4.233 -2.800 1.00 0.00 C ATOM 23 CD GLN A 2 -0.701 5.038 -3.460 1.00 0.00 C ATOM 24 OE1 GLN A 2 -1.781 5.222 -2.891 1.00 0.00 O ATOM 25 NE2 GLN A 2 -0.437 5.524 -4.668 1.00 0.00 N ATOM 26 H GLN A 2 0.262 2.113 -0.749 1.00 0.00 H ATOM 27 HA GLN A 2 2.543 3.768 -1.216 1.00 0.00 H ATOM 28 1HB GLN A 2 -0.393 4.436 -0.839 1.00 0.00 H ATOM 29 2HB GLN A 2 0.822 5.635 -1.258 1.00 0.00 H ATOM 30 1HG GLN A 2 1.336 4.443 -3.321 1.00 0.00 H ATOM 31 2HG GLN A 2 0.154 3.176 -2.889 1.00 0.00 H ATOM 32 1HE2 GLN A 2 -1.127 6.063 -5.153 1.00 0.00 H ATOM 33 2HE2 GLN A 2 0.452 5.351 -5.093 1.00 0.00 H ATOM 34 N GLU A 3 1.095 4.075 1.730 1.00 0.00 N ATOM 35 CA GLU A 3 1.276 4.598 3.079 1.00 0.00 C ATOM 36 C GLU A 3 2.490 3.973 3.754 1.00 0.00 C ATOM 37 O GLU A 3 3.174 4.621 4.545 1.00 0.00 O ATOM 38 CB GLU A 3 0.024 4.344 3.921 1.00 0.00 C ATOM 39 CG GLU A 3 -1.209 5.108 3.462 1.00 0.00 C ATOM 40 CD GLU A 3 -1.008 6.598 3.463 1.00 0.00 C ATOM 41 OE1 GLU A 3 -0.551 7.116 4.454 1.00 0.00 O ATOM 42 OE2 GLU A 3 -1.313 7.219 2.472 1.00 0.00 O ATOM 43 H GLU A 3 0.304 3.478 1.535 1.00 0.00 H ATOM 44 HA GLU A 3 1.428 5.676 3.014 1.00 0.00 H ATOM 45 1HB GLU A 3 -0.216 3.280 3.905 1.00 0.00 H ATOM 46 2HB GLU A 3 0.221 4.619 4.958 1.00 0.00 H ATOM 47 1HG GLU A 3 -1.467 4.789 2.452 1.00 0.00 H ATOM 48 2HG GLU A 3 -2.043 4.858 4.116 1.00 0.00 H ATOM 49 N GLU A 4 2.752 2.709 3.436 1.00 0.00 N ATOM 50 CA GLU A 4 3.972 2.046 3.878 1.00 0.00 C ATOM 51 C GLU A 4 5.210 2.765 3.356 1.00 0.00 C ATOM 52 O GLU A 4 6.159 3.008 4.102 1.00 0.00 O ATOM 53 CB GLU A 4 3.985 0.587 3.414 1.00 0.00 C ATOM 54 CG GLU A 4 5.240 -0.184 3.796 1.00 0.00 C ATOM 55 CD GLU A 4 5.234 -1.599 3.291 1.00 0.00 C ATOM 56 OE1 GLU A 4 4.176 -2.100 2.994 1.00 0.00 O ATOM 57 OE2 GLU A 4 6.289 -2.181 3.201 1.00 0.00 O ATOM 58 H GLU A 4 2.088 2.195 2.874 1.00 0.00 H ATOM 59 HA GLU A 4 3.996 2.055 4.968 1.00 0.00 H ATOM 60 1HB GLU A 4 3.128 0.063 3.838 1.00 0.00 H ATOM 61 2HB GLU A 4 3.887 0.550 2.329 1.00 0.00 H ATOM 62 1HG GLU A 4 6.109 0.332 3.388 1.00 0.00 H ATOM 63 2HG GLU A 4 5.333 -0.191 4.881 1.00 0.00 H ATOM 64 N TYR A 5 5.194 3.103 2.071 1.00 0.00 N ATOM 65 CA TYR A 5 6.303 3.819 1.454 1.00 0.00 C ATOM 66 C TYR A 5 6.513 5.179 2.108 1.00 0.00 C ATOM 67 O TYR A 5 7.647 5.627 2.281 1.00 0.00 O ATOM 68 CB TYR A 5 6.064 3.985 -0.049 1.00 0.00 C ATOM 69 CG TYR A 5 6.317 2.727 -0.850 1.00 0.00 C ATOM 70 CD1 TYR A 5 5.318 2.207 -1.659 1.00 0.00 C ATOM 71 CD2 TYR A 5 7.549 2.094 -0.775 1.00 0.00 C ATOM 72 CE1 TYR A 5 5.550 1.058 -2.391 1.00 0.00 C ATOM 73 CE2 TYR A 5 7.781 0.945 -1.506 1.00 0.00 C ATOM 74 CZ TYR A 5 6.787 0.428 -2.312 1.00 0.00 C ATOM 75 OH TYR A 5 7.018 -0.716 -3.040 1.00 0.00 O ATOM 76 H TYR A 5 4.393 2.857 1.508 1.00 0.00 H ATOM 77 HA TYR A 5 7.211 3.227 1.579 1.00 0.00 H ATOM 78 1HB TYR A 5 5.032 4.296 -0.221 1.00 0.00 H ATOM 79 2HB TYR A 5 6.711 4.771 -0.436 1.00 0.00 H ATOM 80 HD1 TYR A 5 4.350 2.705 -1.718 1.00 0.00 H ATOM 81 HD2 TYR A 5 8.334 2.502 -0.138 1.00 0.00 H ATOM 82 HE1 TYR A 5 4.765 0.649 -3.027 1.00 0.00 H ATOM 83 HE2 TYR A 5 8.749 0.447 -1.447 1.00 0.00 H ATOM 84 HH TYR A 5 6.223 -0.951 -3.526 1.00 0.00 H ATOM 85 N LYS A 6 5.414 5.831 2.470 1.00 0.00 N ATOM 86 CA LYS A 6 5.477 7.096 3.192 1.00 0.00 C ATOM 87 C LYS A 6 6.161 6.927 4.543 1.00 0.00 C ATOM 88 O LYS A 6 7.000 7.740 4.931 1.00 0.00 O ATOM 89 CB LYS A 6 4.074 7.675 3.383 1.00 0.00 C ATOM 90 CG LYS A 6 3.426 8.188 2.104 1.00 0.00 C ATOM 91 CD LYS A 6 2.017 8.698 2.364 1.00 0.00 C ATOM 92 CE LYS A 6 1.326 9.105 1.070 1.00 0.00 C ATOM 93 NZ LYS A 6 -0.083 9.524 1.300 1.00 0.00 N ATOM 94 H LYS A 6 4.511 5.441 2.240 1.00 0.00 H ATOM 95 HA LYS A 6 6.051 7.807 2.596 1.00 0.00 H ATOM 96 1HB LYS A 6 3.420 6.912 3.806 1.00 0.00 H ATOM 97 2HB LYS A 6 4.114 8.502 4.092 1.00 0.00 H ATOM 98 1HG LYS A 6 4.027 8.999 1.691 1.00 0.00 H ATOM 99 2HG LYS A 6 3.382 7.383 1.370 1.00 0.00 H ATOM 100 1HD LYS A 6 1.430 7.917 2.849 1.00 0.00 H ATOM 101 2HD LYS A 6 2.059 9.561 3.029 1.00 0.00 H ATOM 102 1HE LYS A 6 1.869 9.932 0.614 1.00 0.00 H ATOM 103 2HE LYS A 6 1.334 8.266 0.375 1.00 0.00 H ATOM 104 1HZ LYS A 6 -0.505 9.785 0.419 1.00 0.00 H ATOM 105 2HZ LYS A 6 -0.601 8.758 1.706 1.00 0.00 H ATOM 106 3HZ LYS A 6 -0.102 10.314 1.929 1.00 0.00 H ATOM 107 N LYS A 7 5.798 5.865 5.255 1.00 0.00 N ATOM 108 CA LYS A 7 6.415 5.557 6.540 1.00 0.00 C ATOM 109 C LYS A 7 7.898 5.247 6.378 1.00 0.00 C ATOM 110 O LYS A 7 8.722 5.672 7.188 1.00 0.00 O ATOM 111 CB LYS A 7 5.701 4.381 7.208 1.00 0.00 C ATOM 112 CG LYS A 7 4.299 4.700 7.709 1.00 0.00 C ATOM 113 CD LYS A 7 3.635 3.470 8.312 1.00 0.00 C ATOM 114 CE LYS A 7 2.223 3.780 8.788 1.00 0.00 C ATOM 115 NZ LYS A 7 1.551 2.579 9.355 1.00 0.00 N ATOM 116 H LYS A 7 5.077 5.256 4.897 1.00 0.00 H ATOM 117 HA LYS A 7 6.308 6.425 7.192 1.00 0.00 H ATOM 118 1HB LYS A 7 5.625 3.553 6.503 1.00 0.00 H ATOM 119 2HB LYS A 7 6.289 4.034 8.058 1.00 0.00 H ATOM 120 1HG LYS A 7 4.352 5.482 8.467 1.00 0.00 H ATOM 121 2HG LYS A 7 3.690 5.061 6.881 1.00 0.00 H ATOM 122 1HD LYS A 7 3.592 2.677 7.565 1.00 0.00 H ATOM 123 2HD LYS A 7 4.224 3.117 9.159 1.00 0.00 H ATOM 124 1HE LYS A 7 2.259 4.556 9.551 1.00 0.00 H ATOM 125 2HE LYS A 7 1.631 4.151 7.952 1.00 0.00 H ATOM 126 1HZ LYS A 7 0.620 2.826 9.658 1.00 0.00 H ATOM 127 2HZ LYS A 7 1.496 1.859 8.648 1.00 0.00 H ATOM 128 3HZ LYS A 7 2.081 2.237 10.143 1.00 0.00 H ATOM 129 N ARG A 8 8.231 4.503 5.329 1.00 0.00 N ATOM 130 CA ARG A 8 9.621 4.188 5.023 1.00 0.00 C ATOM 131 C ARG A 8 10.408 5.446 4.680 1.00 0.00 C ATOM 132 O ARG A 8 11.572 5.584 5.057 1.00 0.00 O ATOM 133 CB ARG A 8 9.705 3.208 3.862 1.00 0.00 C ATOM 134 CG ARG A 8 9.255 1.792 4.186 1.00 0.00 C ATOM 135 CD ARG A 8 9.347 0.902 3.001 1.00 0.00 C ATOM 136 NE ARG A 8 8.862 -0.438 3.290 1.00 0.00 N ATOM 137 CZ ARG A 8 9.602 -1.414 3.852 1.00 0.00 C ATOM 138 NH1 ARG A 8 10.855 -1.185 4.178 1.00 0.00 N ATOM 139 NH2 ARG A 8 9.068 -2.602 4.075 1.00 0.00 N ATOM 140 H ARG A 8 7.502 4.147 4.727 1.00 0.00 H ATOM 141 HA ARG A 8 10.071 3.722 5.901 1.00 0.00 H ATOM 142 1HB ARG A 8 9.092 3.568 3.037 1.00 0.00 H ATOM 143 2HB ARG A 8 10.734 3.153 3.506 1.00 0.00 H ATOM 144 1HG ARG A 8 9.886 1.381 4.974 1.00 0.00 H ATOM 145 2HG ARG A 8 8.218 1.809 4.524 1.00 0.00 H ATOM 146 1HD ARG A 8 8.747 1.313 2.190 1.00 0.00 H ATOM 147 2HD ARG A 8 10.385 0.827 2.682 1.00 0.00 H ATOM 148 HE ARG A 8 7.903 -0.653 3.054 1.00 0.00 H ATOM 149 1HH1 ARG A 8 11.263 -0.276 4.007 1.00 0.00 H ATOM 150 2HH1 ARG A 8 11.409 -1.916 4.599 1.00 0.00 H ATOM 151 1HH2 ARG A 8 8.105 -2.779 3.825 1.00 0.00 H ATOM 152 2HH2 ARG A 8 9.622 -3.333 4.496 1.00 0.00 H ATOM 153 N ALA A 9 9.767 6.362 3.963 1.00 0.00 N ATOM 154 CA ALA A 9 10.372 7.651 3.648 1.00 0.00 C ATOM 155 C ALA A 9 10.656 8.449 4.914 1.00 0.00 C ATOM 156 O ALA A 9 11.723 9.045 5.057 1.00 0.00 O ATOM 157 CB ALA A 9 9.471 8.445 2.713 1.00 0.00 C ATOM 158 H ALA A 9 8.836 6.160 3.626 1.00 0.00 H ATOM 159 HA ALA A 9 11.314 7.473 3.128 1.00 0.00 H ATOM 160 1HB ALA A 9 9.937 9.404 2.488 1.00 0.00 H ATOM 161 2HB ALA A 9 9.325 7.887 1.788 1.00 0.00 H ATOM 162 3HB ALA A 9 8.508 8.613 3.192 1.00 0.00 H ATOM 163 N LYS A 10 9.694 8.457 5.831 1.00 0.00 N ATOM 164 CA LYS A 10 9.857 9.145 7.106 1.00 0.00 C ATOM 165 C LYS A 10 11.040 8.587 7.886 1.00 0.00 C ATOM 166 O LYS A 10 11.823 9.339 8.467 1.00 0.00 O ATOM 167 CB LYS A 10 8.579 9.036 7.940 1.00 0.00 C ATOM 168 CG LYS A 10 7.408 9.851 7.407 1.00 0.00 C ATOM 169 CD LYS A 10 6.180 9.698 8.291 1.00 0.00 C ATOM 170 CE LYS A 10 5.012 10.518 7.765 1.00 0.00 C ATOM 171 NZ LYS A 10 3.803 10.378 8.621 1.00 0.00 N ATOM 172 H LYS A 10 8.828 7.975 5.639 1.00 0.00 H ATOM 173 HA LYS A 10 10.035 10.203 6.909 1.00 0.00 H ATOM 174 1HB LYS A 10 8.266 7.993 7.992 1.00 0.00 H ATOM 175 2HB LYS A 10 8.781 9.368 8.959 1.00 0.00 H ATOM 176 1HG LYS A 10 7.687 10.904 7.364 1.00 0.00 H ATOM 177 2HG LYS A 10 7.163 9.518 6.399 1.00 0.00 H ATOM 178 1HD LYS A 10 5.888 8.648 8.330 1.00 0.00 H ATOM 179 2HD LYS A 10 6.417 10.028 9.303 1.00 0.00 H ATOM 180 1HE LYS A 10 5.294 11.569 7.725 1.00 0.00 H ATOM 181 2HE LYS A 10 4.765 10.193 6.754 1.00 0.00 H ATOM 182 1HZ LYS A 10 3.052 10.936 8.238 1.00 0.00 H ATOM 183 2HZ LYS A 10 3.520 9.408 8.649 1.00 0.00 H ATOM 184 3HZ LYS A 10 4.013 10.695 9.556 1.00 0.00 H ATOM 185 N LYS A 11 11.166 7.265 7.895 1.00 0.00 N ATOM 186 CA LYS A 11 12.277 6.605 8.570 1.00 0.00 C ATOM 187 C LYS A 11 13.612 7.003 7.952 1.00 0.00 C ATOM 188 O LYS A 11 14.585 7.257 8.662 1.00 0.00 O ATOM 189 CB LYS A 11 12.108 5.086 8.522 1.00 0.00 C ATOM 190 CG LYS A 11 10.981 4.551 9.396 1.00 0.00 C ATOM 191 CD LYS A 11 10.845 3.042 9.258 1.00 0.00 C ATOM 192 CE LYS A 11 9.707 2.508 10.117 1.00 0.00 C ATOM 193 NZ LYS A 11 9.552 1.034 9.981 1.00 0.00 N ATOM 194 H LYS A 11 10.474 6.702 7.421 1.00 0.00 H ATOM 195 HA LYS A 11 12.274 6.907 9.618 1.00 0.00 H ATOM 196 1HB LYS A 11 11.912 4.774 7.495 1.00 0.00 H ATOM 197 2HB LYS A 11 13.034 4.606 8.839 1.00 0.00 H ATOM 198 1HG LYS A 11 11.183 4.795 10.439 1.00 0.00 H ATOM 199 2HG LYS A 11 10.042 5.020 9.106 1.00 0.00 H ATOM 200 1HD LYS A 11 10.653 2.787 8.215 1.00 0.00 H ATOM 201 2HD LYS A 11 11.774 2.563 9.566 1.00 0.00 H ATOM 202 1HE LYS A 11 9.898 2.746 11.162 1.00 0.00 H ATOM 203 2HE LYS A 11 8.774 2.987 9.822 1.00 0.00 H ATOM 204 1HZ LYS A 11 8.789 0.720 10.564 1.00 0.00 H ATOM 205 2HZ LYS A 11 9.356 0.803 9.017 1.00 0.00 H ATOM 206 3HZ LYS A 11 10.406 0.577 10.269 1.00 0.00 H ATOM 207 N ALA A 12 13.651 7.056 6.625 1.00 0.00 N ATOM 208 CA ALA A 12 14.843 7.498 5.911 1.00 0.00 C ATOM 209 C ALA A 12 15.192 8.939 6.260 1.00 0.00 C ATOM 210 O ALA A 12 16.363 9.282 6.423 1.00 0.00 O ATOM 211 CB ALA A 12 14.647 7.350 4.409 1.00 0.00 C ATOM 212 H ALA A 12 12.835 6.783 6.097 1.00 0.00 H ATOM 213 HA ALA A 12 15.677 6.856 6.199 1.00 0.00 H ATOM 214 1HB ALA A 12 15.545 7.684 3.890 1.00 0.00 H ATOM 215 2HB ALA A 12 14.456 6.304 4.168 1.00 0.00 H ATOM 216 3HB ALA A 12 13.799 7.955 4.092 1.00 0.00 H ATOM 217 N LEU A 13 14.169 9.779 6.374 1.00 0.00 N ATOM 218 CA LEU A 13 14.367 11.189 6.687 1.00 0.00 C ATOM 219 C LEU A 13 14.845 11.373 8.121 1.00 0.00 C ATOM 220 O LEU A 13 15.599 12.299 8.421 1.00 0.00 O ATOM 221 CB LEU A 13 13.063 11.968 6.472 1.00 0.00 C ATOM 222 CG LEU A 13 12.597 12.097 5.016 1.00 0.00 C ATOM 223 CD1 LEU A 13 11.235 12.776 4.977 1.00 0.00 C ATOM 224 CD2 LEU A 13 13.626 12.887 4.222 1.00 0.00 C ATOM 225 H LEU A 13 13.230 9.432 6.240 1.00 0.00 H ATOM 226 HA LEU A 13 15.124 11.590 6.012 1.00 0.00 H ATOM 227 1HB LEU A 13 12.269 11.476 7.031 1.00 0.00 H ATOM 228 2HB LEU A 13 13.190 12.974 6.870 1.00 0.00 H ATOM 229 HG LEU A 13 12.487 11.104 4.580 1.00 0.00 H ATOM 230 1HD1 LEU A 13 10.904 12.868 3.942 1.00 0.00 H ATOM 231 2HD1 LEU A 13 10.515 12.180 5.536 1.00 0.00 H ATOM 232 3HD1 LEU A 13 11.310 13.768 5.422 1.00 0.00 H ATOM 233 1HD2 LEU A 13 13.296 12.979 3.187 1.00 0.00 H ATOM 234 2HD2 LEU A 13 13.736 13.881 4.657 1.00 0.00 H ATOM 235 3HD2 LEU A 13 14.585 12.370 4.253 1.00 0.00 H ATOM 236 N LYS A 14 14.402 10.485 9.006 1.00 0.00 N ATOM 237 CA LYS A 14 14.914 10.443 10.370 1.00 0.00 C ATOM 238 C LYS A 14 16.399 10.107 10.392 1.00 0.00 C ATOM 239 O LYS A 14 17.151 10.625 11.218 1.00 0.00 O ATOM 240 CB LYS A 14 14.132 9.426 11.204 1.00 0.00 C ATOM 241 CG LYS A 14 12.713 9.854 11.550 1.00 0.00 C ATOM 242 CD LYS A 14 11.988 8.777 12.343 1.00 0.00 C ATOM 243 CE LYS A 14 10.569 9.203 12.689 1.00 0.00 C ATOM 244 NZ LYS A 14 9.850 8.161 13.472 1.00 0.00 N ATOM 245 H LYS A 14 13.693 9.823 8.725 1.00 0.00 H ATOM 246 HA LYS A 14 14.770 11.424 10.824 1.00 0.00 H ATOM 247 1HB LYS A 14 14.074 8.481 10.663 1.00 0.00 H ATOM 248 2HB LYS A 14 14.662 9.237 12.138 1.00 0.00 H ATOM 249 1HG LYS A 14 12.743 10.770 12.142 1.00 0.00 H ATOM 250 2HG LYS A 14 12.159 10.054 10.634 1.00 0.00 H ATOM 251 1HD LYS A 14 11.950 7.857 11.757 1.00 0.00 H ATOM 252 2HD LYS A 14 12.532 8.576 13.266 1.00 0.00 H ATOM 253 1HE LYS A 14 10.598 10.122 13.272 1.00 0.00 H ATOM 254 2HE LYS A 14 10.013 9.397 11.772 1.00 0.00 H ATOM 255 1HZ LYS A 14 8.915 8.481 13.680 1.00 0.00 H ATOM 256 2HZ LYS A 14 9.801 7.308 12.932 1.00 0.00 H ATOM 257 3HZ LYS A 14 10.346 7.985 14.334 1.00 0.00 H ATOM 258 N LYS A 15 16.817 9.237 9.479 1.00 0.00 N ATOM 259 CA LYS A 15 18.233 8.945 9.291 1.00 0.00 C ATOM 260 C LYS A 15 18.951 10.106 8.616 1.00 0.00 C ATOM 261 O LYS A 15 20.133 10.347 8.864 1.00 0.00 O ATOM 262 CB LYS A 15 18.412 7.667 8.470 1.00 0.00 C ATOM 263 CG LYS A 15 17.986 6.393 9.188 1.00 0.00 C ATOM 264 CD LYS A 15 18.159 5.172 8.297 1.00 0.00 C ATOM 265 CE LYS A 15 17.721 3.900 9.007 1.00 0.00 C ATOM 266 NZ LYS A 15 17.855 2.701 8.136 1.00 0.00 N ATOM 267 H LYS A 15 16.137 8.767 8.900 1.00 0.00 H ATOM 268 HA LYS A 15 18.685 8.780 10.270 1.00 0.00 H ATOM 269 1HB LYS A 15 17.833 7.742 7.549 1.00 0.00 H ATOM 270 2HB LYS A 15 19.460 7.558 8.189 1.00 0.00 H ATOM 271 1HG LYS A 15 18.587 6.264 10.088 1.00 0.00 H ATOM 272 2HG LYS A 15 16.939 6.473 9.480 1.00 0.00 H ATOM 273 1HD LYS A 15 17.565 5.295 7.390 1.00 0.00 H ATOM 274 2HD LYS A 15 19.207 5.075 8.012 1.00 0.00 H ATOM 275 1HE LYS A 15 18.328 3.755 9.900 1.00 0.00 H ATOM 276 2HE LYS A 15 16.680 3.995 9.314 1.00 0.00 H ATOM 277 1HZ LYS A 15 17.555 1.881 8.643 1.00 0.00 H ATOM 278 2HZ LYS A 15 17.281 2.817 7.313 1.00 0.00 H ATOM 279 3HZ LYS A 15 18.820 2.591 7.860 1.00 0.00 H ATOM 280 N GLY A 16 18.231 10.823 7.760 1.00 0.00 N ATOM 281 CA GLY A 16 18.788 11.981 7.072 1.00 0.00 C ATOM 282 C GLY A 16 19.003 11.691 5.592 1.00 0.00 C ATOM 283 O GLY A 16 19.665 12.456 4.889 1.00 0.00 O ATOM 284 H GLY A 16 17.272 10.559 7.582 1.00 0.00 H ATOM 285 1HA GLY A 16 18.115 12.831 7.186 1.00 0.00 H ATOM 286 2HA GLY A 16 19.735 12.257 7.533 1.00 0.00 H ATOM 287 N ASP A 17 18.440 10.583 5.123 1.00 0.00 N ATOM 288 CA ASP A 17 18.613 10.162 3.738 1.00 0.00 C ATOM 289 C ASP A 17 17.415 10.564 2.887 1.00 0.00 C ATOM 290 O ASP A 17 16.453 9.807 2.755 1.00 0.00 O ATOM 291 CB ASP A 17 18.817 8.647 3.659 1.00 0.00 C ATOM 292 CG ASP A 17 19.061 8.155 2.239 1.00 0.00 C ATOM 293 OD1 ASP A 17 18.843 8.913 1.323 1.00 0.00 O ATOM 294 OD2 ASP A 17 19.463 7.027 2.083 1.00 0.00 O ATOM 295 H ASP A 17 17.877 10.017 5.743 1.00 0.00 H ATOM 296 HA ASP A 17 19.498 10.654 3.335 1.00 0.00 H ATOM 297 1HB ASP A 17 19.668 8.362 4.278 1.00 0.00 H ATOM 298 2HB ASP A 17 17.938 8.140 4.058 1.00 0.00 H ATOM 299 N GLU A 18 17.480 11.759 2.310 1.00 0.00 N ATOM 300 CA GLU A 18 16.381 12.283 1.509 1.00 0.00 C ATOM 301 C GLU A 18 16.215 11.493 0.217 1.00 0.00 C ATOM 302 O GLU A 18 15.100 11.306 -0.269 1.00 0.00 O ATOM 303 CB GLU A 18 16.612 13.762 1.187 1.00 0.00 C ATOM 304 CG GLU A 18 16.534 14.687 2.394 1.00 0.00 C ATOM 305 CD GLU A 18 16.838 16.119 2.053 1.00 0.00 C ATOM 306 OE1 GLU A 18 17.175 16.383 0.924 1.00 0.00 O ATOM 307 OE2 GLU A 18 16.734 16.951 2.924 1.00 0.00 O ATOM 308 H GLU A 18 18.312 12.319 2.431 1.00 0.00 H ATOM 309 HA GLU A 18 15.460 12.203 2.088 1.00 0.00 H ATOM 310 1HB GLU A 18 17.596 13.886 0.734 1.00 0.00 H ATOM 311 2HB GLU A 18 15.873 14.096 0.460 1.00 0.00 H ATOM 312 1HG GLU A 18 15.531 14.631 2.816 1.00 0.00 H ATOM 313 2HG GLU A 18 17.236 14.341 3.150 1.00 0.00 H ATOM 314 N ASP A 19 17.332 11.031 -0.335 1.00 0.00 N ATOM 315 CA ASP A 19 17.328 10.368 -1.633 1.00 0.00 C ATOM 316 C ASP A 19 16.500 9.089 -1.596 1.00 0.00 C ATOM 317 O ASP A 19 15.643 8.868 -2.451 1.00 0.00 O ATOM 318 CB ASP A 19 18.757 10.044 -2.076 1.00 0.00 C ATOM 319 CG ASP A 19 19.548 11.283 -2.474 1.00 0.00 C ATOM 320 OD1 ASP A 19 18.947 12.315 -2.654 1.00 0.00 O ATOM 321 OD2 ASP A 19 20.746 11.184 -2.593 1.00 0.00 O ATOM 322 H ASP A 19 18.207 11.143 0.157 1.00 0.00 H ATOM 323 HA ASP A 19 16.890 11.046 -2.367 1.00 0.00 H ATOM 324 1HB ASP A 19 19.283 9.539 -1.266 1.00 0.00 H ATOM 325 2HB ASP A 19 18.729 9.361 -2.925 1.00 0.00 H ATOM 326 N THR A 20 16.762 8.250 -0.599 1.00 0.00 N ATOM 327 CA THR A 20 16.004 7.018 -0.416 1.00 0.00 C ATOM 328 C THR A 20 14.538 7.310 -0.126 1.00 0.00 C ATOM 329 O THR A 20 13.648 6.614 -0.614 1.00 0.00 O ATOM 330 CB THR A 20 16.597 6.167 0.722 1.00 0.00 C ATOM 331 OG1 THR A 20 17.914 5.731 0.360 1.00 0.00 O ATOM 332 CG2 THR A 20 15.722 4.952 0.991 1.00 0.00 C ATOM 333 H THR A 20 17.504 8.472 0.048 1.00 0.00 H ATOM 334 HA THR A 20 16.069 6.433 -1.334 1.00 0.00 H ATOM 335 HB THR A 20 16.665 6.767 1.628 1.00 0.00 H ATOM 336 HG1 THR A 20 18.554 6.105 0.971 1.00 0.00 H ATOM 337 1HG2 THR A 20 16.156 4.363 1.799 1.00 0.00 H ATOM 338 2HG2 THR A 20 14.723 5.281 1.278 1.00 0.00 H ATOM 339 3HG2 THR A 20 15.658 4.343 0.091 1.00 0.00 H ATOM 340 N ALA A 21 14.293 8.345 0.671 1.00 0.00 N ATOM 341 CA ALA A 21 12.933 8.782 0.962 1.00 0.00 C ATOM 342 C ALA A 21 12.172 9.104 -0.318 1.00 0.00 C ATOM 343 O ALA A 21 11.033 8.672 -0.499 1.00 0.00 O ATOM 344 CB ALA A 21 12.951 9.993 1.884 1.00 0.00 C ATOM 345 H ALA A 21 15.069 8.841 1.086 1.00 0.00 H ATOM 346 HA ALA A 21 12.415 7.977 1.484 1.00 0.00 H ATOM 347 1HB ALA A 21 11.929 10.307 2.092 1.00 0.00 H ATOM 348 2HB ALA A 21 13.448 9.730 2.819 1.00 0.00 H ATOM 349 3HB ALA A 21 13.491 10.807 1.404 1.00 0.00 H ATOM 350 N ARG A 22 12.807 9.864 -1.203 1.00 0.00 N ATOM 351 CA ARG A 22 12.198 10.231 -2.476 1.00 0.00 C ATOM 352 C ARG A 22 11.905 8.998 -3.322 1.00 0.00 C ATOM 353 O ARG A 22 10.850 8.899 -3.947 1.00 0.00 O ATOM 354 CB ARG A 22 13.106 11.172 -3.252 1.00 0.00 C ATOM 355 CG ARG A 22 13.231 12.569 -2.665 1.00 0.00 C ATOM 356 CD ARG A 22 14.034 13.462 -3.539 1.00 0.00 C ATOM 357 NE ARG A 22 14.330 14.731 -2.893 1.00 0.00 N ATOM 358 CZ ARG A 22 15.462 14.998 -2.214 1.00 0.00 C ATOM 359 NH1 ARG A 22 16.394 14.078 -2.102 1.00 0.00 N ATOM 360 NH2 ARG A 22 15.637 16.186 -1.661 1.00 0.00 N ATOM 361 H ARG A 22 13.737 10.196 -0.989 1.00 0.00 H ATOM 362 HA ARG A 22 11.258 10.747 -2.273 1.00 0.00 H ATOM 363 1HB ARG A 22 14.107 10.748 -3.309 1.00 0.00 H ATOM 364 2HB ARG A 22 12.736 11.275 -4.273 1.00 0.00 H ATOM 365 1HG ARG A 22 12.238 13.005 -2.549 1.00 0.00 H ATOM 366 2HG ARG A 22 13.719 12.513 -1.692 1.00 0.00 H ATOM 367 1HD ARG A 22 14.978 12.977 -3.786 1.00 0.00 H ATOM 368 2HD ARG A 22 13.482 13.667 -4.455 1.00 0.00 H ATOM 369 HE ARG A 22 13.636 15.464 -2.957 1.00 0.00 H ATOM 370 1HH1 ARG A 22 16.261 13.170 -2.525 1.00 0.00 H ATOM 371 2HH1 ARG A 22 17.243 14.278 -1.594 1.00 0.00 H ATOM 372 1HH2 ARG A 22 14.920 16.894 -1.747 1.00 0.00 H ATOM 373 2HH2 ARG A 22 16.485 16.386 -1.153 1.00 0.00 H ATOM 374 N GLU A 23 12.847 8.061 -3.338 1.00 0.00 N ATOM 375 CA GLU A 23 12.676 6.816 -4.078 1.00 0.00 C ATOM 376 C GLU A 23 11.419 6.081 -3.635 1.00 0.00 C ATOM 377 O GLU A 23 10.583 5.709 -4.459 1.00 0.00 O ATOM 378 CB GLU A 23 13.899 5.914 -3.893 1.00 0.00 C ATOM 379 CG GLU A 23 13.809 4.578 -4.616 1.00 0.00 C ATOM 380 CD GLU A 23 14.991 3.688 -4.350 1.00 0.00 C ATOM 381 OE1 GLU A 23 16.070 4.201 -4.177 1.00 0.00 O ATOM 382 OE2 GLU A 23 14.814 2.493 -4.320 1.00 0.00 O ATOM 383 H GLU A 23 13.703 8.215 -2.825 1.00 0.00 H ATOM 384 HA GLU A 23 12.588 7.054 -5.139 1.00 0.00 H ATOM 385 1HB GLU A 23 14.789 6.430 -4.253 1.00 0.00 H ATOM 386 2HB GLU A 23 14.044 5.711 -2.832 1.00 0.00 H ATOM 387 1HG GLU A 23 12.902 4.064 -4.297 1.00 0.00 H ATOM 388 2HG GLU A 23 13.732 4.761 -5.687 1.00 0.00 H ATOM 389 N ALA A 24 11.289 5.873 -2.329 1.00 0.00 N ATOM 390 CA ALA A 24 10.137 5.173 -1.775 1.00 0.00 C ATOM 391 C ALA A 24 8.837 5.883 -2.130 1.00 0.00 C ATOM 392 O ALA A 24 7.836 5.243 -2.449 1.00 0.00 O ATOM 393 CB ALA A 24 10.273 5.042 -0.265 1.00 0.00 C ATOM 394 H ALA A 24 12.008 6.209 -1.704 1.00 0.00 H ATOM 395 HA ALA A 24 10.110 4.166 -2.192 1.00 0.00 H ATOM 396 1HB ALA A 24 9.405 4.517 0.134 1.00 0.00 H ATOM 397 2HB ALA A 24 11.177 4.481 -0.028 1.00 0.00 H ATOM 398 3HB ALA A 24 10.334 6.033 0.182 1.00 0.00 H ATOM 399 N LEU A 25 8.860 7.211 -2.073 1.00 0.00 N ATOM 400 CA LEU A 25 7.684 8.011 -2.393 1.00 0.00 C ATOM 401 C LEU A 25 7.329 7.901 -3.870 1.00 0.00 C ATOM 402 O LEU A 25 6.155 7.916 -4.239 1.00 0.00 O ATOM 403 CB LEU A 25 7.928 9.481 -2.028 1.00 0.00 C ATOM 404 CG LEU A 25 8.075 9.778 -0.530 1.00 0.00 C ATOM 405 CD1 LEU A 25 8.590 11.199 -0.343 1.00 0.00 C ATOM 406 CD2 LEU A 25 6.733 9.587 0.160 1.00 0.00 C ATOM 407 H LEU A 25 9.713 7.677 -1.800 1.00 0.00 H ATOM 408 HA LEU A 25 6.844 7.644 -1.803 1.00 0.00 H ATOM 409 1HB LEU A 25 8.839 9.815 -2.523 1.00 0.00 H ATOM 410 2HB LEU A 25 7.096 10.075 -2.404 1.00 0.00 H ATOM 411 HG LEU A 25 8.808 9.099 -0.094 1.00 0.00 H ATOM 412 1HD1 LEU A 25 8.694 11.411 0.722 1.00 0.00 H ATOM 413 2HD1 LEU A 25 9.559 11.303 -0.829 1.00 0.00 H ATOM 414 3HD1 LEU A 25 7.884 11.903 -0.784 1.00 0.00 H ATOM 415 1HD2 LEU A 25 6.838 9.798 1.225 1.00 0.00 H ATOM 416 2HD2 LEU A 25 6.000 10.267 -0.275 1.00 0.00 H ATOM 417 3HD2 LEU A 25 6.398 8.559 0.025 1.00 0.00 H ATOM 418 N LYS A 26 8.350 7.790 -4.713 1.00 0.00 N ATOM 419 CA LYS A 26 8.147 7.560 -6.138 1.00 0.00 C ATOM 420 C LYS A 26 7.618 6.155 -6.399 1.00 0.00 C ATOM 421 O LYS A 26 6.850 5.935 -7.335 1.00 0.00 O ATOM 422 CB LYS A 26 9.449 7.784 -6.908 1.00 0.00 C ATOM 423 CG LYS A 26 9.887 9.240 -6.994 1.00 0.00 C ATOM 424 CD LYS A 26 11.216 9.376 -7.721 1.00 0.00 C ATOM 425 CE LYS A 26 11.681 10.824 -7.760 1.00 0.00 C ATOM 426 NZ LYS A 26 12.983 10.971 -8.466 1.00 0.00 N ATOM 427 H LYS A 26 9.292 7.866 -4.357 1.00 0.00 H ATOM 428 HA LYS A 26 7.416 8.282 -6.504 1.00 0.00 H ATOM 429 1HB LYS A 26 10.253 7.220 -6.436 1.00 0.00 H ATOM 430 2HB LYS A 26 9.339 7.408 -7.926 1.00 0.00 H ATOM 431 1HG LYS A 26 9.130 9.817 -7.526 1.00 0.00 H ATOM 432 2HG LYS A 26 9.989 9.649 -5.989 1.00 0.00 H ATOM 433 1HD LYS A 26 11.971 8.774 -7.214 1.00 0.00 H ATOM 434 2HD LYS A 26 11.111 9.011 -8.742 1.00 0.00 H ATOM 435 1HE LYS A 26 10.935 11.432 -8.269 1.00 0.00 H ATOM 436 2HE LYS A 26 11.790 11.199 -6.742 1.00 0.00 H ATOM 437 1HZ LYS A 26 13.256 11.944 -8.469 1.00 0.00 H ATOM 438 2HZ LYS A 26 13.688 10.426 -7.990 1.00 0.00 H ATOM 439 3HZ LYS A 26 12.890 10.645 -9.417 1.00 0.00 H ATOM 440 N ARG A 27 8.035 5.207 -5.567 1.00 0.00 N ATOM 441 CA ARG A 27 7.518 3.846 -5.635 1.00 0.00 C ATOM 442 C ARG A 27 6.045 3.797 -5.251 1.00 0.00 C ATOM 443 O ARG A 27 5.278 3.002 -5.795 1.00 0.00 O ATOM 444 CB ARG A 27 8.309 2.926 -4.717 1.00 0.00 C ATOM 445 CG ARG A 27 9.720 2.611 -5.188 1.00 0.00 C ATOM 446 CD ARG A 27 10.430 1.717 -4.238 1.00 0.00 C ATOM 447 NE ARG A 27 11.804 1.475 -4.645 1.00 0.00 N ATOM 448 CZ ARG A 27 12.184 0.541 -5.539 1.00 0.00 C ATOM 449 NH1 ARG A 27 11.283 -0.228 -6.109 1.00 0.00 N ATOM 450 NH2 ARG A 27 13.462 0.398 -5.843 1.00 0.00 N ATOM 451 H ARG A 27 8.728 5.436 -4.869 1.00 0.00 H ATOM 452 HA ARG A 27 7.625 3.486 -6.659 1.00 0.00 H ATOM 453 1HB ARG A 27 8.385 3.377 -3.728 1.00 0.00 H ATOM 454 2HB ARG A 27 7.779 1.980 -4.605 1.00 0.00 H ATOM 455 1HG ARG A 27 9.677 2.115 -6.158 1.00 0.00 H ATOM 456 2HG ARG A 27 10.289 3.537 -5.278 1.00 0.00 H ATOM 457 1HD ARG A 27 10.443 2.174 -3.249 1.00 0.00 H ATOM 458 2HD ARG A 27 9.915 0.758 -4.187 1.00 0.00 H ATOM 459 HE ARG A 27 12.526 2.047 -4.228 1.00 0.00 H ATOM 460 1HH1 ARG A 27 10.306 -0.119 -5.877 1.00 0.00 H ATOM 461 2HH1 ARG A 27 11.568 -0.928 -6.779 1.00 0.00 H ATOM 462 1HH2 ARG A 27 14.155 0.990 -5.404 1.00 0.00 H ATOM 463 2HH2 ARG A 27 13.747 -0.301 -6.513 1.00 0.00 H ATOM 464 N ALA A 28 5.654 4.651 -4.311 1.00 0.00 N ATOM 465 CA ALA A 28 4.245 4.855 -3.998 1.00 0.00 C ATOM 466 C ALA A 28 3.493 5.427 -5.193 1.00 0.00 C ATOM 467 O ALA A 28 2.342 5.070 -5.443 1.00 0.00 O ATOM 468 CB ALA A 28 4.097 5.771 -2.792 1.00 0.00 C ATOM 469 H ALA A 28 6.352 5.172 -3.800 1.00 0.00 H ATOM 470 HA ALA A 28 3.804 3.891 -3.748 1.00 0.00 H ATOM 471 1HB ALA A 28 3.039 5.913 -2.571 1.00 0.00 H ATOM 472 2HB ALA A 28 4.590 5.321 -1.931 1.00 0.00 H ATOM 473 3HB ALA A 28 4.555 6.735 -3.009 1.00 0.00 H ATOM 474 N GLY A 29 4.150 6.317 -5.929 1.00 0.00 N ATOM 475 CA GLY A 29 3.588 6.858 -7.160 1.00 0.00 C ATOM 476 C GLY A 29 3.478 8.376 -7.095 1.00 0.00 C ATOM 477 O GLY A 29 2.551 8.966 -7.650 1.00 0.00 O ATOM 478 H GLY A 29 5.063 6.627 -5.627 1.00 0.00 H ATOM 479 1HA GLY A 29 4.215 6.571 -8.004 1.00 0.00 H ATOM 480 2HA GLY A 29 2.603 6.426 -7.331 1.00 0.00 H ATOM 481 N LEU A 30 4.429 9.005 -6.413 1.00 0.00 N ATOM 482 CA LEU A 30 4.493 10.460 -6.350 1.00 0.00 C ATOM 483 C LEU A 30 5.566 11.005 -7.284 1.00 0.00 C ATOM 484 O LEU A 30 6.600 10.370 -7.495 1.00 0.00 O ATOM 485 CB LEU A 30 4.777 10.916 -4.913 1.00 0.00 C ATOM 486 CG LEU A 30 3.724 10.523 -3.870 1.00 0.00 C ATOM 487 CD1 LEU A 30 4.173 10.992 -2.493 1.00 0.00 C ATOM 488 CD2 LEU A 30 2.383 11.136 -4.246 1.00 0.00 C ATOM 489 H LEU A 30 5.126 8.460 -5.925 1.00 0.00 H ATOM 490 HA LEU A 30 3.530 10.862 -6.662 1.00 0.00 H ATOM 491 1HB LEU A 30 5.730 10.495 -4.597 1.00 0.00 H ATOM 492 2HB LEU A 30 4.863 12.003 -4.905 1.00 0.00 H ATOM 493 HG LEU A 30 3.631 9.437 -3.838 1.00 0.00 H ATOM 494 1HD1 LEU A 30 3.425 10.713 -1.751 1.00 0.00 H ATOM 495 2HD1 LEU A 30 5.125 10.524 -2.241 1.00 0.00 H ATOM 496 3HD1 LEU A 30 4.291 12.075 -2.498 1.00 0.00 H ATOM 497 1HD2 LEU A 30 1.634 10.855 -3.505 1.00 0.00 H ATOM 498 2HD2 LEU A 30 2.475 12.221 -4.276 1.00 0.00 H ATOM 499 3HD2 LEU A 30 2.078 10.769 -5.226 1.00 0.00 H ATOM 500 N SER A 31 5.314 12.184 -7.842 1.00 0.00 N ATOM 501 CA SER A 31 6.294 12.857 -8.687 1.00 0.00 C ATOM 502 C SER A 31 7.463 13.381 -7.864 1.00 0.00 C ATOM 503 O SER A 31 7.370 13.504 -6.642 1.00 0.00 O ATOM 504 CB SER A 31 5.639 14.000 -9.437 1.00 0.00 C ATOM 505 OG SER A 31 5.323 15.054 -8.570 1.00 0.00 O ATOM 506 H SER A 31 4.421 12.626 -7.677 1.00 0.00 H ATOM 507 HA SER A 31 6.680 12.137 -9.410 1.00 0.00 H ATOM 508 1HB SER A 31 6.311 14.356 -10.217 1.00 0.00 H ATOM 509 2HB SER A 31 4.733 13.643 -9.925 1.00 0.00 H ATOM 510 HG SER A 31 4.641 15.565 -9.012 1.00 0.00 H ATOM 511 N PRO A 32 8.565 13.690 -8.540 1.00 0.00 N ATOM 512 CA PRO A 32 9.736 14.254 -7.880 1.00 0.00 C ATOM 513 C PRO A 32 9.362 15.461 -7.029 1.00 0.00 C ATOM 514 O PRO A 32 9.900 15.655 -5.939 1.00 0.00 O ATOM 515 CB PRO A 32 10.637 14.649 -9.054 1.00 0.00 C ATOM 516 CG PRO A 32 10.287 13.675 -10.127 1.00 0.00 C ATOM 517 CD PRO A 32 8.797 13.499 -10.002 1.00 0.00 C ATOM 518 HA PRO A 32 10.169 13.491 -7.232 1.00 0.00 H ATOM 519 1HB PRO A 32 10.442 15.692 -9.344 1.00 0.00 H ATOM 520 2HB PRO A 32 11.694 14.591 -8.754 1.00 0.00 H ATOM 521 1HG PRO A 32 10.586 14.069 -11.110 1.00 0.00 H ATOM 522 2HG PRO A 32 10.838 12.734 -9.981 1.00 0.00 H ATOM 523 1HD PRO A 32 8.285 14.268 -10.599 1.00 0.00 H ATOM 524 2HD PRO A 32 8.516 12.492 -10.342 1.00 0.00 H ATOM 525 N ASP A 33 8.435 16.269 -7.532 1.00 0.00 N ATOM 526 CA ASP A 33 7.989 17.461 -6.821 1.00 0.00 C ATOM 527 C ASP A 33 7.138 17.095 -5.612 1.00 0.00 C ATOM 528 O ASP A 33 7.280 17.681 -4.539 1.00 0.00 O ATOM 529 CB ASP A 33 7.194 18.377 -7.754 1.00 0.00 C ATOM 530 CG ASP A 33 8.063 19.041 -8.814 1.00 0.00 C ATOM 531 OD1 ASP A 33 9.261 19.037 -8.660 1.00 0.00 O ATOM 532 OD2 ASP A 33 7.520 19.546 -9.767 1.00 0.00 O ATOM 533 H ASP A 33 8.029 16.052 -8.431 1.00 0.00 H ATOM 534 HA ASP A 33 8.868 18.007 -6.476 1.00 0.00 H ATOM 535 1HB ASP A 33 6.415 17.800 -8.253 1.00 0.00 H ATOM 536 2HB ASP A 33 6.702 19.154 -7.169 1.00 0.00 H ATOM 537 N GLN A 34 6.251 16.121 -5.792 1.00 0.00 N ATOM 538 CA GLN A 34 5.395 15.654 -4.709 1.00 0.00 C ATOM 539 C GLN A 34 6.211 14.983 -3.612 1.00 0.00 C ATOM 540 O GLN A 34 5.927 15.146 -2.425 1.00 0.00 O ATOM 541 CB GLN A 34 4.337 14.684 -5.241 1.00 0.00 C ATOM 542 CG GLN A 34 3.263 15.339 -6.092 1.00 0.00 C ATOM 543 CD GLN A 34 2.304 14.329 -6.693 1.00 0.00 C ATOM 544 OE1 GLN A 34 2.722 13.299 -7.231 1.00 0.00 O ATOM 545 NE2 GLN A 34 1.011 14.617 -6.606 1.00 0.00 N ATOM 546 H GLN A 34 6.168 15.694 -6.704 1.00 0.00 H ATOM 547 HA GLN A 34 4.876 16.514 -4.282 1.00 0.00 H ATOM 548 1HB GLN A 34 4.820 13.914 -5.843 1.00 0.00 H ATOM 549 2HB GLN A 34 3.847 14.185 -4.405 1.00 0.00 H ATOM 550 1HG GLN A 34 2.690 16.026 -5.469 1.00 0.00 H ATOM 551 2HG GLN A 34 3.741 15.884 -6.906 1.00 0.00 H ATOM 552 1HE2 GLN A 34 0.331 13.988 -6.985 1.00 0.00 H ATOM 553 2HE2 GLN A 34 0.716 15.463 -6.162 1.00 0.00 H ATOM 554 N ALA A 35 7.227 14.228 -4.015 1.00 0.00 N ATOM 555 CA ALA A 35 8.126 13.582 -3.066 1.00 0.00 C ATOM 556 C ALA A 35 8.900 14.611 -2.252 1.00 0.00 C ATOM 557 O ALA A 35 9.076 14.455 -1.044 1.00 0.00 O ATOM 558 CB ALA A 35 9.086 12.653 -3.794 1.00 0.00 C ATOM 559 H ALA A 35 7.381 14.099 -5.005 1.00 0.00 H ATOM 560 HA ALA A 35 7.530 12.973 -2.385 1.00 0.00 H ATOM 561 1HB ALA A 35 9.751 12.178 -3.072 1.00 0.00 H ATOM 562 2HB ALA A 35 8.520 11.887 -4.325 1.00 0.00 H ATOM 563 3HB ALA A 35 9.676 13.226 -4.507 1.00 0.00 H ATOM 564 N GLU A 36 9.360 15.662 -2.921 1.00 0.00 N ATOM 565 CA GLU A 36 10.057 16.752 -2.249 1.00 0.00 C ATOM 566 C GLU A 36 9.142 17.466 -1.263 1.00 0.00 C ATOM 567 O GLU A 36 9.544 17.778 -0.142 1.00 0.00 O ATOM 568 CB GLU A 36 10.597 17.752 -3.274 1.00 0.00 C ATOM 569 CG GLU A 36 11.338 18.936 -2.668 1.00 0.00 C ATOM 570 CD GLU A 36 12.630 18.541 -2.007 1.00 0.00 C ATOM 571 OE1 GLU A 36 13.147 17.500 -2.332 1.00 0.00 O ATOM 572 OE2 GLU A 36 13.100 19.283 -1.177 1.00 0.00 O ATOM 573 H GLU A 36 9.224 15.707 -3.921 1.00 0.00 H ATOM 574 HA GLU A 36 10.904 16.337 -1.702 1.00 0.00 H ATOM 575 1HB GLU A 36 11.280 17.243 -3.954 1.00 0.00 H ATOM 576 2HB GLU A 36 9.773 18.143 -3.870 1.00 0.00 H ATOM 577 1HG GLU A 36 11.552 19.659 -3.455 1.00 0.00 H ATOM 578 2HG GLU A 36 10.693 19.418 -1.935 1.00 0.00 H ATOM 579 N GLU A 37 7.909 17.722 -1.686 1.00 0.00 N ATOM 580 CA GLU A 37 6.913 18.340 -0.818 1.00 0.00 C ATOM 581 C GLU A 37 6.704 17.521 0.449 1.00 0.00 C ATOM 582 O GLU A 37 6.723 18.057 1.557 1.00 0.00 O ATOM 583 CB GLU A 37 5.584 18.499 -1.560 1.00 0.00 C ATOM 584 CG GLU A 37 4.472 19.122 -0.729 1.00 0.00 C ATOM 585 CD GLU A 37 3.181 19.257 -1.487 1.00 0.00 C ATOM 586 OE1 GLU A 37 3.195 19.086 -2.683 1.00 0.00 O ATOM 587 OE2 GLU A 37 2.178 19.531 -0.870 1.00 0.00 O ATOM 588 H GLU A 37 7.655 17.483 -2.634 1.00 0.00 H ATOM 589 HA GLU A 37 7.266 19.333 -0.538 1.00 0.00 H ATOM 590 1HB GLU A 37 5.732 19.122 -2.442 1.00 0.00 H ATOM 591 2HB GLU A 37 5.240 17.523 -1.902 1.00 0.00 H ATOM 592 1HG GLU A 37 4.299 18.503 0.151 1.00 0.00 H ATOM 593 2HG GLU A 37 4.793 20.106 -0.390 1.00 0.00 H ATOM 594 N PHE A 38 6.504 16.218 0.279 1.00 0.00 N ATOM 595 CA PHE A 38 6.339 15.314 1.411 1.00 0.00 C ATOM 596 C PHE A 38 7.484 15.463 2.406 1.00 0.00 C ATOM 597 O PHE A 38 7.260 15.580 3.611 1.00 0.00 O ATOM 598 CB PHE A 38 6.260 13.864 0.931 1.00 0.00 C ATOM 599 CG PHE A 38 6.140 12.862 2.043 1.00 0.00 C ATOM 600 CD1 PHE A 38 4.899 12.374 2.424 1.00 0.00 C ATOM 601 CD2 PHE A 38 7.266 12.407 2.712 1.00 0.00 C ATOM 602 CE1 PHE A 38 4.786 11.452 3.448 1.00 0.00 C ATOM 603 CE2 PHE A 38 7.157 11.485 3.735 1.00 0.00 C ATOM 604 CZ PHE A 38 5.915 11.008 4.103 1.00 0.00 C ATOM 605 H PHE A 38 6.466 15.844 -0.658 1.00 0.00 H ATOM 606 HA PHE A 38 5.404 15.558 1.916 1.00 0.00 H ATOM 607 1HB PHE A 38 5.401 13.746 0.272 1.00 0.00 H ATOM 608 2HB PHE A 38 7.151 13.624 0.352 1.00 0.00 H ATOM 609 HD1 PHE A 38 4.006 12.724 1.905 1.00 0.00 H ATOM 610 HD2 PHE A 38 8.247 12.785 2.421 1.00 0.00 H ATOM 611 HE1 PHE A 38 3.805 11.076 3.737 1.00 0.00 H ATOM 612 HE2 PHE A 38 8.050 11.135 4.252 1.00 0.00 H ATOM 613 HZ PHE A 38 5.827 10.282 4.911 1.00 0.00 H ATOM 614 N ILE A 39 8.710 15.458 1.895 1.00 0.00 N ATOM 615 CA ILE A 39 9.892 15.593 2.737 1.00 0.00 C ATOM 616 C ILE A 39 9.877 16.912 3.499 1.00 0.00 C ATOM 617 O ILE A 39 10.167 16.953 4.694 1.00 0.00 O ATOM 618 CB ILE A 39 11.179 15.499 1.897 1.00 0.00 C ATOM 619 CG1 ILE A 39 11.361 14.078 1.357 1.00 0.00 C ATOM 620 CG2 ILE A 39 12.385 15.916 2.724 1.00 0.00 C ATOM 621 CD1 ILE A 39 12.453 13.954 0.319 1.00 0.00 C ATOM 622 H ILE A 39 8.826 15.357 0.896 1.00 0.00 H ATOM 623 HA ILE A 39 9.900 14.774 3.457 1.00 0.00 H ATOM 624 HB ILE A 39 11.098 16.156 1.032 1.00 0.00 H ATOM 625 1HG1 ILE A 39 11.595 13.403 2.180 1.00 0.00 H ATOM 626 2HG1 ILE A 39 10.427 13.736 0.911 1.00 0.00 H ATOM 627 1HG2 ILE A 39 13.286 15.843 2.115 1.00 0.00 H ATOM 628 2HG2 ILE A 39 12.258 16.944 3.060 1.00 0.00 H ATOM 629 3HG2 ILE A 39 12.478 15.260 3.590 1.00 0.00 H ATOM 630 1HD1 ILE A 39 12.521 12.919 -0.016 1.00 0.00 H ATOM 631 2HD1 ILE A 39 12.221 14.596 -0.531 1.00 0.00 H ATOM 632 3HD1 ILE A 39 13.404 14.258 0.754 1.00 0.00 H ATOM 633 N ARG A 40 9.538 17.990 2.799 1.00 0.00 N ATOM 634 CA ARG A 40 9.548 19.322 3.391 1.00 0.00 C ATOM 635 C ARG A 40 8.467 19.460 4.456 1.00 0.00 C ATOM 636 O ARG A 40 8.626 20.205 5.423 1.00 0.00 O ATOM 637 CB ARG A 40 9.341 20.385 2.322 1.00 0.00 C ATOM 638 CG ARG A 40 10.507 20.561 1.362 1.00 0.00 C ATOM 639 CD ARG A 40 10.227 21.607 0.345 1.00 0.00 C ATOM 640 NE ARG A 40 11.310 21.732 -0.617 1.00 0.00 N ATOM 641 CZ ARG A 40 11.412 22.716 -1.532 1.00 0.00 C ATOM 642 NH1 ARG A 40 10.490 23.651 -1.596 1.00 0.00 N ATOM 643 NH2 ARG A 40 12.438 22.741 -2.364 1.00 0.00 N ATOM 644 H ARG A 40 9.266 17.883 1.832 1.00 0.00 H ATOM 645 HA ARG A 40 10.521 19.486 3.857 1.00 0.00 H ATOM 646 1HB ARG A 40 8.461 20.138 1.730 1.00 0.00 H ATOM 647 2HB ARG A 40 9.157 21.348 2.797 1.00 0.00 H ATOM 648 1HG ARG A 40 11.397 20.854 1.919 1.00 0.00 H ATOM 649 2HG ARG A 40 10.697 19.621 0.843 1.00 0.00 H ATOM 650 1HD ARG A 40 9.317 21.352 -0.198 1.00 0.00 H ATOM 651 2HD ARG A 40 10.097 22.569 0.839 1.00 0.00 H ATOM 652 HE ARG A 40 12.039 21.031 -0.598 1.00 0.00 H ATOM 653 1HH1 ARG A 40 9.705 23.631 -0.960 1.00 0.00 H ATOM 654 2HH1 ARG A 40 10.566 24.388 -2.282 1.00 0.00 H ATOM 655 1HH2 ARG A 40 13.147 22.022 -2.314 1.00 0.00 H ATOM 656 2HH2 ARG A 40 12.514 23.478 -3.049 1.00 0.00 H ATOM 657 N ARG A 41 7.368 18.737 4.273 1.00 0.00 N ATOM 658 CA ARG A 41 6.290 18.720 5.254 1.00 0.00 C ATOM 659 C ARG A 41 6.696 17.954 6.506 1.00 0.00 C ATOM 660 O ARG A 41 6.386 18.365 7.624 1.00 0.00 O ATOM 661 CB ARG A 41 5.037 18.091 4.662 1.00 0.00 C ATOM 662 CG ARG A 41 4.309 18.952 3.642 1.00 0.00 C ATOM 663 CD ARG A 41 3.071 18.294 3.151 1.00 0.00 C ATOM 664 NE ARG A 41 2.390 19.099 2.150 1.00 0.00 N ATOM 665 CZ ARG A 41 1.540 20.106 2.427 1.00 0.00 C ATOM 666 NH1 ARG A 41 1.277 20.420 3.676 1.00 0.00 N ATOM 667 NH2 ARG A 41 0.969 20.779 1.443 1.00 0.00 N ATOM 668 H ARG A 41 7.276 18.185 3.432 1.00 0.00 H ATOM 669 HA ARG A 41 6.059 19.749 5.533 1.00 0.00 H ATOM 670 1HB ARG A 41 5.297 17.152 4.175 1.00 0.00 H ATOM 671 2HB ARG A 41 4.333 17.860 5.462 1.00 0.00 H ATOM 672 1HG ARG A 41 4.033 19.903 4.100 1.00 0.00 H ATOM 673 2HG ARG A 41 4.962 19.136 2.788 1.00 0.00 H ATOM 674 1HD ARG A 41 3.324 17.334 2.703 1.00 0.00 H ATOM 675 2HD ARG A 41 2.388 18.137 3.985 1.00 0.00 H ATOM 676 HE ARG A 41 2.567 18.887 1.177 1.00 0.00 H ATOM 677 1HH1 ARG A 41 1.713 19.906 4.429 1.00 0.00 H ATOM 678 2HH1 ARG A 41 0.640 21.175 3.884 1.00 0.00 H ATOM 679 1HH2 ARG A 41 1.171 20.538 0.482 1.00 0.00 H ATOM 680 2HH2 ARG A 41 0.333 21.534 1.650 1.00 0.00 H ATOM 681 N PHE A 42 7.392 16.839 6.311 1.00 0.00 N ATOM 682 CA PHE A 42 7.849 16.017 7.425 1.00 0.00 C ATOM 683 C PHE A 42 8.912 16.740 8.243 1.00 0.00 C ATOM 684 O PHE A 42 8.804 16.843 9.465 1.00 0.00 O ATOM 685 CB PHE A 42 8.408 14.688 6.914 1.00 0.00 C ATOM 686 CG PHE A 42 8.943 13.798 8.000 1.00 0.00 C ATOM 687 CD1 PHE A 42 8.081 13.120 8.849 1.00 0.00 C ATOM 688 CD2 PHE A 42 10.310 13.638 8.175 1.00 0.00 C ATOM 689 CE1 PHE A 42 8.573 12.301 9.848 1.00 0.00 C ATOM 690 CE2 PHE A 42 10.804 12.820 9.173 1.00 0.00 C ATOM 691 CZ PHE A 42 9.934 12.151 10.010 1.00 0.00 C ATOM 692 H PHE A 42 7.609 16.553 5.367 1.00 0.00 H ATOM 693 HA PHE A 42 6.996 15.803 8.071 1.00 0.00 H ATOM 694 1HB PHE A 42 7.627 14.145 6.384 1.00 0.00 H ATOM 695 2HB PHE A 42 9.212 14.880 6.205 1.00 0.00 H ATOM 696 HD1 PHE A 42 7.005 13.238 8.720 1.00 0.00 H ATOM 697 HD2 PHE A 42 10.997 14.167 7.514 1.00 0.00 H ATOM 698 HE1 PHE A 42 7.884 11.775 10.508 1.00 0.00 H ATOM 699 HE2 PHE A 42 11.880 12.702 9.299 1.00 0.00 H ATOM 700 HZ PHE A 42 10.322 11.507 10.798 1.00 0.00 H ATOM 701 N LEU A 43 9.938 17.238 7.562 1.00 0.00 N ATOM 702 CA LEU A 43 11.068 17.869 8.232 1.00 0.00 C ATOM 703 C LEU A 43 10.732 19.293 8.657 1.00 0.00 C ATOM 704 O LEU A 43 9.927 19.969 8.016 1.00 0.00 O ATOM 705 OXT LEU A 43 11.253 19.768 9.628 1.00 0.00 O ATOM 706 CB LEU A 43 12.293 17.881 7.309 1.00 0.00 C ATOM 707 CG LEU A 43 12.842 16.504 6.914 1.00 0.00 C ATOM 708 CD1 LEU A 43 13.984 16.677 5.922 1.00 0.00 C ATOM 709 CD2 LEU A 43 13.308 15.767 8.161 1.00 0.00 C ATOM 710 H LEU A 43 9.935 17.178 6.554 1.00 0.00 H ATOM 711 HA LEU A 43 11.308 17.292 9.124 1.00 0.00 H ATOM 712 1HB LEU A 43 12.032 18.409 6.392 1.00 0.00 H ATOM 713 2HB LEU A 43 13.095 18.429 7.802 1.00 0.00 H ATOM 714 HG LEU A 43 12.058 15.927 6.423 1.00 0.00 H ATOM 715 1HD1 LEU A 43 14.374 15.699 5.641 1.00 0.00 H ATOM 716 2HD1 LEU A 43 13.618 17.190 5.032 1.00 0.00 H ATOM 717 3HD1 LEU A 43 14.777 17.266 6.380 1.00 0.00 H ATOM 718 1HD2 LEU A 43 13.697 14.788 7.880 1.00 0.00 H ATOM 719 2HD2 LEU A 43 14.093 16.343 8.652 1.00 0.00 H ATOM 720 3HD2 LEU A 43 12.468 15.641 8.844 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE nods_bigger.blueprint.34_try334_pass_20150521035218_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 rama omega fa_dun p_aa_pp ref total weights 0.8 0.44 0.75 0.004 0.7 1 1.17 1.17 1.17 1.1 1 0.2 0.5 0.56 0.32 1 NA pose -174.084 15.878 93.3676 0.29816 -18.7837 0.06056 -24.8294 -1.74252 -2.50301 -6.4015 0 -5.48285 3.18334 41.9664 -5.94202 -10.321 -95.3364 PRO:NtermProteinFull_1 -2.10516 0.26667 1.335 0.00584 0.19026 0.02994 0 0 0 0 0 0 0.07929 0.08552 0 -0.21929 -0.33192 GLN_2 -3.31625 0.26503 1.8294 0.00329 -0.02961 0 0 0 -0.24873 0 0 -0.14344 6e-05 1.97024 -0.1139 -1.17797 -0.96187 GLU_3 -3.20525 0.25538 2.37609 0.00523 -0.91015 0 0 0 0 -0.32607 0 -0.26028 0.30109 2.36973 -0.1603 -1.55374 -1.10827 GLU_4 -3.99239 0.37587 2.66702 0.00762 -0.93074 0 0 0 0 -0.49646 0 -0.16149 0.00834 2.41658 -0.10317 -1.55374 -1.76256 TYR_5 -6.98448 0.45221 2.67871 0.02461 -0.301 0 0 0 0 0 0 -0.12426 0.10123 2.01103 0.1212 0.1317 -1.88905 LYS_6 -5.41869 0.43503 2.93841 0.00312 -1.09437 0 0 0 0 -0.32607 0 -0.17151 0.03214 0.89562 -0.04428 -0.28737 -3.03796 LYS_7 -3.68572 0.25658 1.99761 0.00311 -0.2053 0 0 0 0 0 0 -0.20671 0.04472 0.80026 -0.04564 -0.28737 -1.32847 ARG_8 -4.439 0.22296 2.67123 0.00955 -1.00948 0 0 0 0 -0.49646 0 -0.21853 0.09835 1.58951 -0.08888 -0.14916 -1.80991 ALA_9 -4.50636 0.45635 1.89262 0.00073 -0.23002 0 0 0 0 0 0 -0.13282 0.02187 0 -0.16265 0.59294 -2.06733 LYS_10 -5.42644 0.51615 2.20471 0.00308 -0.15901 0 0 0 0 0 0 -0.17677 0.01777 0.85338 -0.04754 -0.28737 -2.50204 LYS_11 -3.61039 0.28837 1.95379 0.00309 -0.15795 0 0 0 0 0 0 -0.19078 0.06558 0.82631 -0.04728 -0.28737 -1.15663 ALA_12 -4.38522 0.27835 2.11976 0.00074 -0.47814 0 0 0 0 0 0 -0.18452 0.00328 0 -0.18997 0.59294 -2.24276 LEU_13 -5.87073 0.88813 1.40188 0.00741 0.0291 0 0 0 0 0 0 -0.14774 0.3167 0.11188 -0.1256 0.60233 -2.78663 LYS_14 -2.86142 0.29854 1.43067 0.00308 0.0221 0 0 0 0 0 0 -0.24093 0.25392 0.77169 -0.04238 -0.28737 -0.6521 LYS_15 -2.12531 0.1791 1.14408 0.00314 -0.00588 0 0 0 0 0 0 -0.25894 0.01215 0.71855 -0.03797 -0.28737 -0.65845 GLY_16 -1.46516 0.19042 0.94464 1e-05 -0.0338 0 0 0 0 0 0 -0.09775 0.03072 0 -0.80662 0.14053 -1.09701 ASP_17 -3.93456 0.32389 3.25078 0.01897 -1.28297 0 0 0 -0.30653 -0.29133 0 -0.03076 0.02408 1.37533 -0.35068 -1.28682 -2.49058 GLU_18 -4.23308 0.37856 2.87764 0.00461 -0.53666 0 0 0 0 -0.15051 0 -0.26043 0.16684 2.10552 -0.15758 -1.55374 -1.35884 ASP_19 -3.06917 0.24952 2.43353 0.00335 -0.54669 0 0 0 0 0 0 -0.00759 0.03391 1.35367 0.06851 -1.28682 -0.76777 THR_20 -3.2794 0.38298 2.55359 0.01154 -0.95175 0 0 0 -0.30653 -0.29133 0 -0.06304 0.07335 0.20111 0.11871 0.16454 -1.38621 ALA_21 -4.45594 0.45485 1.7534 0.00073 -0.18245 0 0 0 0 0 0 -0.06836 0.00336 0 -0.12978 0.59294 -2.03125 ARG_22 -6.63138 0.7076 4.67298 0.01058 -1.96985 0 0 0 0 -0.84139 0 -0.18525 0.01472 1.82346 -0.08684 -0.14916 -2.63453 GLU_23 -4.21347 0.43515 2.8971 0.00704 -1.01174 0 0 0 0 -0.55968 0 -0.04989 0.00097 2.42545 -0.11157 -1.55374 -1.73439 ALA_24 -4.37065 0.34617 1.9482 0.00074 -0.2948 0 0 0 0 0 0 -0.17187 0.00023 0 -0.19322 0.59294 -2.14224 LEU_25 -6.45769 0.71509 1.88953 0.00596 -0.2642 0 0 0 0 0 0 -0.13814 0.14892 0.25908 -0.12811 0.60233 -3.36724 LYS_26 -4.26679 0.35106 2.4488 0.00311 -0.00113 0 0 0 0 0 0 -0.26512 0.13973 0.73858 -0.02975 -0.28737 -1.16887 ARG_27 -4.31946 0.37208 2.38049 0.00956 -0.87662 0 0 0 0 -0.55968 0 -0.23395 0.47038 1.54728 -0.09995 -0.14916 -1.45903 ALA_28 -3.36822 0.30663 1.41183 0.00075 -0.21549 0 0 0 -0.24873 0 0 -0.21356 0.13152 0 -0.18845 0.59294 -1.79078 GLY_29 -1.51942 0.15292 0.96755 4e-05 0.12369 0 0 0 0 0 0 0.36331 0.091 0 -1.09544 0.14053 -0.77581 LEU_30 -3.81535 0.21085 1.59309 0.0073 0.11974 0 0 0 0 0 0 -0.16814 0.08025 0.09658 -0.14159 0.60233 -1.41494 SER_31 -3.30597 0.64026 2.51965 0.00165 -0.62539 0.00056 0 0 -0.69625 0 0 -0.27419 0.03364 0.14487 -0.26008 0.17658 -1.64466 PRO_32 -2.42217 0.33847 1.49234 0.00093 -0.2059 0.03005 0 0 0 0 0 0.03939 0.00014 0.06587 -0.34479 -0.21929 -1.22497 ASP_33 -2.54074 0.32629 1.68698 0.00328 -0.14296 0 0 0 0 0 0 -0.11827 0.00945 1.36554 0.02632 -1.28682 -0.67095 GLN_34 -4.58642 0.24453 2.81622 0.00325 -0.38033 0 0 0 -0.69625 0 0 -0.17037 0.0448 2.01531 -0.13839 -1.17797 -2.02562 ALA_35 -4.23161 0.33892 1.79051 0.00073 -0.28814 0 0 0 0 0 0 -0.1602 0.05061 0 -0.16989 0.59294 -2.07612 GLU_36 -4.97638 0.29707 3.87052 0.00927 -1.78018 0 0 0 0 -1.05106 0 -0.20429 0.04867 2.54242 -0.11148 -1.55374 -2.90917 GLU_37 -4.26609 0.40726 2.96756 0.00746 -1.1052 0 0 0 0 -0.32565 0 -0.10065 0.02543 2.17728 -0.10491 -1.55374 -1.87125 PHE_38 -5.83972 0.51881 1.76043 0.03235 -0.2524 0 0 0 0 0 0 0.04749 0 1.5682 -0.06079 0.43057 -1.79507 ILE_39 -6.06611 0.8156 2.32983 0.02116 -0.22482 0 0 0 0 0 0 -0.0161 0.04687 0.09195 -0.06587 0.8318 -2.23567 ARG_40 -3.73374 0.20434 2.55712 0.00773 -0.49457 0 0 0 0 -0.36018 0 -0.24525 0.05987 1.26413 -0.09874 -0.14916 -0.98845 ARG_41 -3.18014 0.25317 2.30326 0.0095 -0.76956 0 0 0 0 -0.32565 0 -0.14608 0.00068 1.62346 -0.09192 -0.14916 -0.47242 PHE_42 -4.57742 0.35837 1.23344 0.02563 0.29082 0 0 0 0 0 0 0.07491 0.09669 1.31846 -0.10076 0.43057 -0.8493 LEU:CtermProteinFull_43 -3.02541 0.12244 1.37561 0.00729 0.38981 0 0 0 0 0 0 0 0 0.44254 0 0.60233 -0.08539 #END_POSE_ENERGIES_TABLE nods_bigger.blueprint.34_try334_pass_20150521035218_0001.pdb AlaCount 6 bb -0.0405144 buried_minus_exposed 3709.49 buried_np 5300.25 buried_over_exposed 3.33188 cavity_volume 0 contact_all 280 contact_core_SASA 280 contact_core_SCN 280 degree 10.3488 degree_core_SASA 10.3488 degree_core_SCN 10.3488 exposed_hydrophobics 1590.76 holes 0.939907 mismatch_probability 0.0980098 one_core_each 1 pack 0.696179 percent_core_SASA 0.0465008 percent_core_SCN 0.139502 res_count_core_SASA 2 res_count_core_SCN 6 ss_sc 0.82452 two_core_each 0.666667 unsat_hbond 3
HHH_rd2_0160.pdb
ATOM 1 N PRO A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA PRO A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C PRO A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O PRO A 1 3.137 1.659 0.432 1.00 0.00 O ATOM 5 CB PRO A 1 1.803 -0.740 -1.297 1.00 0.00 C ATOM 6 CG PRO A 1 0.657 -0.442 -2.203 1.00 0.00 C ATOM 7 CD PRO A 1 -0.547 -0.450 -1.299 1.00 0.00 C ATOM 8 1H PRO A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 9 2H PRO A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 10 HA PRO A 1 1.820 -0.555 0.878 1.00 0.00 H ATOM 11 1HB PRO A 1 2.764 -0.379 -1.691 1.00 0.00 H ATOM 12 2HB PRO A 1 1.921 -1.815 -1.097 1.00 0.00 H ATOM 13 1HG PRO A 1 0.808 0.527 -2.700 1.00 0.00 H ATOM 14 2HG PRO A 1 0.595 -1.200 -2.997 1.00 0.00 H ATOM 15 1HD PRO A 1 -1.299 0.254 -1.684 1.00 0.00 H ATOM 16 2HD PRO A 1 -0.960 -1.468 -1.245 1.00 0.00 H ATOM 17 N GLU A 2 1.206 2.361 -0.487 1.00 0.00 N ATOM 18 CA GLU A 2 1.641 3.746 -0.618 1.00 0.00 C ATOM 19 C GLU A 2 1.819 4.399 0.746 1.00 0.00 C ATOM 20 O GLU A 2 2.690 5.250 0.929 1.00 0.00 O ATOM 21 CB GLU A 2 0.635 4.544 -1.450 1.00 0.00 C ATOM 22 CG GLU A 2 0.552 4.124 -2.910 1.00 0.00 C ATOM 23 CD GLU A 2 1.859 4.273 -3.637 1.00 0.00 C ATOM 24 OE1 GLU A 2 2.446 5.325 -3.555 1.00 0.00 O ATOM 25 OE2 GLU A 2 2.271 3.334 -4.277 1.00 0.00 O ATOM 26 H GLU A 2 0.271 2.109 -0.773 1.00 0.00 H ATOM 27 HA GLU A 2 2.599 3.760 -1.140 1.00 0.00 H ATOM 28 1HB GLU A 2 -0.360 4.441 -1.015 1.00 0.00 H ATOM 29 2HB GLU A 2 0.897 5.602 -1.421 1.00 0.00 H ATOM 30 1HG GLU A 2 0.239 3.081 -2.960 1.00 0.00 H ATOM 31 2HG GLU A 2 -0.207 4.726 -3.408 1.00 0.00 H ATOM 32 N ASP A 3 0.988 3.997 1.702 1.00 0.00 N ATOM 33 CA ASP A 3 1.106 4.480 3.073 1.00 0.00 C ATOM 34 C ASP A 3 2.410 4.017 3.710 1.00 0.00 C ATOM 35 O ASP A 3 3.031 4.751 4.479 1.00 0.00 O ATOM 36 CB ASP A 3 -0.079 3.999 3.914 1.00 0.00 C ATOM 37 CG ASP A 3 -1.383 4.699 3.557 1.00 0.00 C ATOM 38 OD1 ASP A 3 -1.329 5.723 2.918 1.00 0.00 O ATOM 39 OD2 ASP A 3 -2.420 4.203 3.926 1.00 0.00 O ATOM 40 H ASP A 3 0.257 3.339 1.473 1.00 0.00 H ATOM 41 HA ASP A 3 1.091 5.570 3.058 1.00 0.00 H ATOM 42 1HB ASP A 3 -0.211 2.925 3.777 1.00 0.00 H ATOM 43 2HB ASP A 3 0.131 4.171 4.970 1.00 0.00 H ATOM 44 N GLU A 4 2.821 2.796 3.385 1.00 0.00 N ATOM 45 CA GLU A 4 4.105 2.274 3.837 1.00 0.00 C ATOM 46 C GLU A 4 5.262 3.057 3.230 1.00 0.00 C ATOM 47 O GLU A 4 6.264 3.320 3.896 1.00 0.00 O ATOM 48 CB GLU A 4 4.235 0.792 3.478 1.00 0.00 C ATOM 49 CG GLU A 4 3.304 -0.127 4.256 1.00 0.00 C ATOM 50 CD GLU A 4 3.327 -1.544 3.754 1.00 0.00 C ATOM 51 OE1 GLU A 4 3.846 -1.767 2.687 1.00 0.00 O ATOM 52 OE2 GLU A 4 2.824 -2.404 4.438 1.00 0.00 O ATOM 53 H GLU A 4 2.229 2.215 2.810 1.00 0.00 H ATOM 54 HA GLU A 4 4.153 2.365 4.923 1.00 0.00 H ATOM 55 1HB GLU A 4 4.029 0.656 2.416 1.00 0.00 H ATOM 56 2HB GLU A 4 5.258 0.463 3.658 1.00 0.00 H ATOM 57 1HG GLU A 4 3.597 -0.121 5.305 1.00 0.00 H ATOM 58 2HG GLU A 4 2.288 0.261 4.189 1.00 0.00 H ATOM 59 N LYS A 5 5.119 3.427 1.962 1.00 0.00 N ATOM 60 CA LYS A 5 6.100 4.275 1.296 1.00 0.00 C ATOM 61 C LYS A 5 6.228 5.623 1.995 1.00 0.00 C ATOM 62 O LYS A 5 7.328 6.156 2.139 1.00 0.00 O ATOM 63 CB LYS A 5 5.724 4.478 -0.173 1.00 0.00 C ATOM 64 CG LYS A 5 5.854 3.228 -1.033 1.00 0.00 C ATOM 65 CD LYS A 5 5.407 3.493 -2.463 1.00 0.00 C ATOM 66 CE LYS A 5 5.433 2.220 -3.297 1.00 0.00 C ATOM 67 NZ LYS A 5 4.924 2.448 -4.677 1.00 0.00 N ATOM 68 H LYS A 5 4.309 3.113 1.446 1.00 0.00 H ATOM 69 HA LYS A 5 7.068 3.773 1.325 1.00 0.00 H ATOM 70 1HB LYS A 5 4.693 4.824 -0.240 1.00 0.00 H ATOM 71 2HB LYS A 5 6.358 5.251 -0.607 1.00 0.00 H ATOM 72 1HG LYS A 5 6.894 2.899 -1.042 1.00 0.00 H ATOM 73 2HG LYS A 5 5.243 2.431 -0.612 1.00 0.00 H ATOM 74 1HD LYS A 5 4.392 3.894 -2.459 1.00 0.00 H ATOM 75 2HD LYS A 5 6.067 4.229 -2.921 1.00 0.00 H ATOM 76 1HE LYS A 5 6.454 1.846 -3.357 1.00 0.00 H ATOM 77 2HE LYS A 5 4.818 1.459 -2.818 1.00 0.00 H ATOM 78 1HZ LYS A 5 4.957 1.582 -5.196 1.00 0.00 H ATOM 79 2HZ LYS A 5 3.970 2.779 -4.634 1.00 0.00 H ATOM 80 3HZ LYS A 5 5.499 3.139 -5.138 1.00 0.00 H ATOM 81 N LYS A 6 5.097 6.170 2.426 1.00 0.00 N ATOM 82 CA LYS A 6 5.088 7.413 3.187 1.00 0.00 C ATOM 83 C LYS A 6 5.855 7.265 4.495 1.00 0.00 C ATOM 84 O LYS A 6 6.626 8.145 4.877 1.00 0.00 O ATOM 85 CB LYS A 6 3.652 7.860 3.467 1.00 0.00 C ATOM 86 CG LYS A 6 2.887 8.327 2.236 1.00 0.00 C ATOM 87 CD LYS A 6 1.437 8.639 2.572 1.00 0.00 C ATOM 88 CE LYS A 6 0.642 8.991 1.323 1.00 0.00 C ATOM 89 NZ LYS A 6 -0.800 9.206 1.624 1.00 0.00 N ATOM 90 H LYS A 6 4.220 5.712 2.222 1.00 0.00 H ATOM 91 HA LYS A 6 5.566 8.189 2.587 1.00 0.00 H ATOM 92 1HB LYS A 6 3.096 7.036 3.914 1.00 0.00 H ATOM 93 2HB LYS A 6 3.660 8.679 4.187 1.00 0.00 H ATOM 94 1HG LYS A 6 3.359 9.224 1.832 1.00 0.00 H ATOM 95 2HG LYS A 6 2.915 7.549 1.474 1.00 0.00 H ATOM 96 1HD LYS A 6 0.980 7.773 3.052 1.00 0.00 H ATOM 97 2HD LYS A 6 1.397 9.480 3.265 1.00 0.00 H ATOM 98 1HE LYS A 6 1.047 9.898 0.877 1.00 0.00 H ATOM 99 2HE LYS A 6 0.731 8.184 0.596 1.00 0.00 H ATOM 100 1HZ LYS A 6 -1.291 9.436 0.772 1.00 0.00 H ATOM 101 2HZ LYS A 6 -1.191 8.363 2.021 1.00 0.00 H ATOM 102 3HZ LYS A 6 -0.897 9.965 2.283 1.00 0.00 H ATOM 103 N ALA A 7 5.638 6.146 5.178 1.00 0.00 N ATOM 104 CA ALA A 7 6.344 5.858 6.421 1.00 0.00 C ATOM 105 C ALA A 7 7.841 5.710 6.182 1.00 0.00 C ATOM 106 O ALA A 7 8.655 6.155 6.992 1.00 0.00 O ATOM 107 CB ALA A 7 5.785 4.600 7.068 1.00 0.00 C ATOM 108 H ALA A 7 4.967 5.477 4.827 1.00 0.00 H ATOM 109 HA ALA A 7 6.180 6.686 7.111 1.00 0.00 H ATOM 110 1HB ALA A 7 6.322 4.398 7.995 1.00 0.00 H ATOM 111 2HB ALA A 7 4.726 4.742 7.286 1.00 0.00 H ATOM 112 3HB ALA A 7 5.905 3.757 6.389 1.00 0.00 H ATOM 113 N LYS A 8 8.199 5.082 5.067 1.00 0.00 N ATOM 114 CA LYS A 8 9.597 4.953 4.675 1.00 0.00 C ATOM 115 C LYS A 8 10.235 6.317 4.451 1.00 0.00 C ATOM 116 O LYS A 8 11.353 6.572 4.899 1.00 0.00 O ATOM 117 CB LYS A 8 9.723 4.099 3.412 1.00 0.00 C ATOM 118 CG LYS A 8 9.448 2.617 3.625 1.00 0.00 C ATOM 119 CD LYS A 8 9.567 1.840 2.322 1.00 0.00 C ATOM 120 CE LYS A 8 9.276 0.361 2.529 1.00 0.00 C ATOM 121 NZ LYS A 8 9.410 -0.415 1.266 1.00 0.00 N ATOM 122 H LYS A 8 7.483 4.685 4.475 1.00 0.00 H ATOM 123 HA LYS A 8 10.135 4.442 5.476 1.00 0.00 H ATOM 124 1HB LYS A 8 9.026 4.464 2.656 1.00 0.00 H ATOM 125 2HB LYS A 8 10.729 4.198 3.005 1.00 0.00 H ATOM 126 1HG LYS A 8 10.162 2.214 4.344 1.00 0.00 H ATOM 127 2HG LYS A 8 8.443 2.487 4.025 1.00 0.00 H ATOM 128 1HD LYS A 8 8.862 2.242 1.593 1.00 0.00 H ATOM 129 2HD LYS A 8 10.576 1.950 1.924 1.00 0.00 H ATOM 130 1HE LYS A 8 9.967 -0.045 3.266 1.00 0.00 H ATOM 131 2HE LYS A 8 8.262 0.240 2.910 1.00 0.00 H ATOM 132 1HZ LYS A 8 9.209 -1.388 1.446 1.00 0.00 H ATOM 133 2HZ LYS A 8 8.759 -0.058 0.581 1.00 0.00 H ATOM 134 3HZ LYS A 8 10.352 -0.325 0.914 1.00 0.00 H ATOM 135 N GLU A 9 9.518 7.193 3.755 1.00 0.00 N ATOM 136 CA GLU A 9 9.974 8.562 3.544 1.00 0.00 C ATOM 137 C GLU A 9 10.179 9.284 4.869 1.00 0.00 C ATOM 138 O GLU A 9 11.185 9.966 5.067 1.00 0.00 O ATOM 139 CB GLU A 9 8.971 9.331 2.682 1.00 0.00 C ATOM 140 CG GLU A 9 9.355 10.780 2.413 1.00 0.00 C ATOM 141 CD GLU A 9 8.350 11.502 1.558 1.00 0.00 C ATOM 142 OE1 GLU A 9 7.518 10.850 0.975 1.00 0.00 O ATOM 143 OE2 GLU A 9 8.416 12.706 1.489 1.00 0.00 O ATOM 144 H GLU A 9 8.634 6.903 3.361 1.00 0.00 H ATOM 145 HA GLU A 9 10.926 8.531 3.012 1.00 0.00 H ATOM 146 1HB GLU A 9 8.859 8.831 1.720 1.00 0.00 H ATOM 147 2HB GLU A 9 7.996 9.328 3.168 1.00 0.00 H ATOM 148 1HG GLU A 9 9.447 11.303 3.365 1.00 0.00 H ATOM 149 2HG GLU A 9 10.326 10.802 1.922 1.00 0.00 H ATOM 150 N ALA A 10 9.219 9.131 5.776 1.00 0.00 N ATOM 151 CA ALA A 10 9.304 9.749 7.093 1.00 0.00 C ATOM 152 C ALA A 10 10.542 9.277 7.845 1.00 0.00 C ATOM 153 O ALA A 10 11.227 10.068 8.493 1.00 0.00 O ATOM 154 CB ALA A 10 8.049 9.451 7.900 1.00 0.00 C ATOM 155 H ALA A 10 8.410 8.572 5.546 1.00 0.00 H ATOM 156 HA ALA A 10 9.365 10.831 6.965 1.00 0.00 H ATOM 157 1HB ALA A 10 8.127 9.919 8.881 1.00 0.00 H ATOM 158 2HB ALA A 10 7.178 9.846 7.378 1.00 0.00 H ATOM 159 3HB ALA A 10 7.942 8.374 8.020 1.00 0.00 H ATOM 160 N LEU A 11 10.824 7.981 7.755 1.00 0.00 N ATOM 161 CA LEU A 11 12.009 7.410 8.383 1.00 0.00 C ATOM 162 C LEU A 11 13.284 7.984 7.779 1.00 0.00 C ATOM 163 O LEU A 11 14.254 8.249 8.489 1.00 0.00 O ATOM 164 CB LEU A 11 12.006 5.884 8.230 1.00 0.00 C ATOM 165 CG LEU A 11 10.993 5.130 9.101 1.00 0.00 C ATOM 166 CD1 LEU A 11 10.924 3.675 8.656 1.00 0.00 C ATOM 167 CD2 LEU A 11 11.401 5.236 10.563 1.00 0.00 C ATOM 168 H LEU A 11 10.201 7.377 7.238 1.00 0.00 H ATOM 169 HA LEU A 11 11.987 7.650 9.446 1.00 0.00 H ATOM 170 1HB LEU A 11 11.795 5.639 7.190 1.00 0.00 H ATOM 171 2HB LEU A 11 12.999 5.508 8.476 1.00 0.00 H ATOM 172 HG LEU A 11 10.003 5.566 8.968 1.00 0.00 H ATOM 173 1HD1 LEU A 11 10.204 3.139 9.275 1.00 0.00 H ATOM 174 2HD1 LEU A 11 10.611 3.627 7.613 1.00 0.00 H ATOM 175 3HD1 LEU A 11 11.906 3.215 8.763 1.00 0.00 H ATOM 176 1HD2 LEU A 11 10.681 4.701 11.182 1.00 0.00 H ATOM 177 2HD2 LEU A 11 12.391 4.799 10.697 1.00 0.00 H ATOM 178 3HD2 LEU A 11 11.425 6.285 10.858 1.00 0.00 H ATOM 179 N LYS A 12 13.276 8.176 6.464 1.00 0.00 N ATOM 180 CA LYS A 12 14.395 8.806 5.774 1.00 0.00 C ATOM 181 C LYS A 12 14.593 10.242 6.244 1.00 0.00 C ATOM 182 O LYS A 12 15.717 10.670 6.506 1.00 0.00 O ATOM 183 CB LYS A 12 14.179 8.773 4.261 1.00 0.00 C ATOM 184 CG LYS A 12 14.307 7.390 3.637 1.00 0.00 C ATOM 185 CD LYS A 12 14.031 7.430 2.141 1.00 0.00 C ATOM 186 CE LYS A 12 14.141 6.046 1.520 1.00 0.00 C ATOM 187 NZ LYS A 12 13.861 6.068 0.058 1.00 0.00 N ATOM 188 H LYS A 12 12.473 7.876 5.928 1.00 0.00 H ATOM 189 HA LYS A 12 15.300 8.239 5.993 1.00 0.00 H ATOM 190 1HB LYS A 12 13.184 9.155 4.027 1.00 0.00 H ATOM 191 2HB LYS A 12 14.903 9.428 3.775 1.00 0.00 H ATOM 192 1HG LYS A 12 15.316 7.009 3.801 1.00 0.00 H ATOM 193 2HG LYS A 12 13.600 6.710 4.110 1.00 0.00 H ATOM 194 1HD LYS A 12 13.027 7.819 1.967 1.00 0.00 H ATOM 195 2HD LYS A 12 14.748 8.093 1.657 1.00 0.00 H ATOM 196 1HE LYS A 12 15.145 5.655 1.679 1.00 0.00 H ATOM 197 2HE LYS A 12 13.433 5.373 2.002 1.00 0.00 H ATOM 198 1HZ LYS A 12 13.944 5.133 -0.315 1.00 0.00 H ATOM 199 2HZ LYS A 12 12.924 6.412 -0.100 1.00 0.00 H ATOM 200 3HZ LYS A 12 14.524 6.674 -0.403 1.00 0.00 H ATOM 201 N ARG A 13 13.494 10.982 6.348 1.00 0.00 N ATOM 202 CA ARG A 13 13.541 12.360 6.822 1.00 0.00 C ATOM 203 C ARG A 13 13.909 12.422 8.299 1.00 0.00 C ATOM 204 O ARG A 13 14.489 13.404 8.763 1.00 0.00 O ATOM 205 CB ARG A 13 12.200 13.045 6.607 1.00 0.00 C ATOM 206 CG ARG A 13 11.841 13.307 5.153 1.00 0.00 C ATOM 207 CD ARG A 13 10.520 13.973 5.024 1.00 0.00 C ATOM 208 NE ARG A 13 10.121 14.123 3.634 1.00 0.00 N ATOM 209 CZ ARG A 13 10.514 15.130 2.830 1.00 0.00 C ATOM 210 NH1 ARG A 13 11.313 16.066 3.291 1.00 0.00 N ATOM 211 NH2 ARG A 13 10.094 15.177 1.577 1.00 0.00 N ATOM 212 H ARG A 13 12.604 10.579 6.093 1.00 0.00 H ATOM 213 HA ARG A 13 14.298 12.897 6.250 1.00 0.00 H ATOM 214 1HB ARG A 13 11.407 12.436 7.038 1.00 0.00 H ATOM 215 2HB ARG A 13 12.194 14.004 7.126 1.00 0.00 H ATOM 216 1HG ARG A 13 12.596 13.952 4.702 1.00 0.00 H ATOM 217 2HG ARG A 13 11.802 12.361 4.612 1.00 0.00 H ATOM 218 1HD ARG A 13 9.762 13.380 5.535 1.00 0.00 H ATOM 219 2HD ARG A 13 10.568 14.964 5.474 1.00 0.00 H ATOM 220 HE ARG A 13 9.506 13.422 3.244 1.00 0.00 H ATOM 221 1HH1 ARG A 13 11.634 16.030 4.248 1.00 0.00 H ATOM 222 2HH1 ARG A 13 11.608 16.821 2.688 1.00 0.00 H ATOM 223 1HH2 ARG A 13 9.479 14.457 1.223 1.00 0.00 H ATOM 224 2HH2 ARG A 13 10.388 15.931 0.975 1.00 0.00 H ATOM 225 N ALA A 14 13.568 11.369 9.034 1.00 0.00 N ATOM 226 CA ALA A 14 13.845 11.310 10.464 1.00 0.00 C ATOM 227 C ALA A 14 15.209 10.690 10.736 1.00 0.00 C ATOM 228 O ALA A 14 15.632 10.578 11.887 1.00 0.00 O ATOM 229 CB ALA A 14 12.755 10.528 11.183 1.00 0.00 C ATOM 230 H ALA A 14 13.105 10.588 8.590 1.00 0.00 H ATOM 231 HA ALA A 14 13.837 12.327 10.860 1.00 0.00 H ATOM 232 1HB ALA A 14 12.976 10.493 12.250 1.00 0.00 H ATOM 233 2HB ALA A 14 11.793 11.017 11.027 1.00 0.00 H ATOM 234 3HB ALA A 14 12.715 9.514 10.788 1.00 0.00 H ATOM 235 N ASN A 15 15.894 10.288 9.671 1.00 0.00 N ATOM 236 CA ASN A 15 17.217 9.689 9.793 1.00 0.00 C ATOM 237 C ASN A 15 17.187 8.466 10.700 1.00 0.00 C ATOM 238 O ASN A 15 18.122 8.225 11.464 1.00 0.00 O ATOM 239 CB ASN A 15 18.220 10.708 10.302 1.00 0.00 C ATOM 240 CG ASN A 15 18.428 11.845 9.341 1.00 0.00 C ATOM 241 OD1 ASN A 15 18.495 11.640 8.123 1.00 0.00 O ATOM 242 ND2 ASN A 15 18.530 13.041 9.863 1.00 0.00 N ATOM 243 H ASN A 15 15.487 10.401 8.754 1.00 0.00 H ATOM 244 HA ASN A 15 17.536 9.351 8.805 1.00 0.00 H ATOM 245 1HB ASN A 15 17.877 11.112 11.255 1.00 0.00 H ATOM 246 2HB ASN A 15 19.178 10.219 10.480 1.00 0.00 H ATOM 247 1HD2 ASN A 15 18.669 13.835 9.271 1.00 0.00 H ATOM 248 2HD2 ASN A 15 18.470 13.160 10.854 1.00 0.00 H ATOM 249 N GLY A 16 16.108 7.697 10.612 1.00 0.00 N ATOM 250 CA GLY A 16 16.008 6.432 11.330 1.00 0.00 C ATOM 251 C GLY A 16 15.162 6.578 12.589 1.00 0.00 C ATOM 252 O GLY A 16 14.681 5.590 13.143 1.00 0.00 O ATOM 253 H GLY A 16 15.337 7.996 10.033 1.00 0.00 H ATOM 254 1HA GLY A 16 15.569 5.677 10.678 1.00 0.00 H ATOM 255 2HA GLY A 16 17.006 6.085 11.597 1.00 0.00 H ATOM 256 N ASP A 17 14.983 7.817 13.035 1.00 0.00 N ATOM 257 CA ASP A 17 14.239 8.090 14.258 1.00 0.00 C ATOM 258 C ASP A 17 12.753 7.810 14.074 1.00 0.00 C ATOM 259 O ASP A 17 12.038 8.589 13.444 1.00 0.00 O ATOM 260 CB ASP A 17 14.439 9.544 14.694 1.00 0.00 C ATOM 261 CG ASP A 17 13.729 9.874 16.000 1.00 0.00 C ATOM 262 OD1 ASP A 17 12.776 9.204 16.321 1.00 0.00 O ATOM 263 OD2 ASP A 17 14.145 10.793 16.663 1.00 0.00 O ATOM 264 H ASP A 17 15.373 8.589 12.512 1.00 0.00 H ATOM 265 HA ASP A 17 14.600 7.421 15.040 1.00 0.00 H ATOM 266 1HB ASP A 17 15.504 9.744 14.816 1.00 0.00 H ATOM 267 2HB ASP A 17 14.068 10.212 13.916 1.00 0.00 H ATOM 268 N GLU A 18 12.294 6.692 14.626 1.00 0.00 N ATOM 269 CA GLU A 18 10.937 6.219 14.383 1.00 0.00 C ATOM 270 C GLU A 18 9.908 7.152 15.008 1.00 0.00 C ATOM 271 O GLU A 18 8.848 7.398 14.432 1.00 0.00 O ATOM 272 CB GLU A 18 10.758 4.803 14.937 1.00 0.00 C ATOM 273 CG GLU A 18 11.562 3.736 14.207 1.00 0.00 C ATOM 274 CD GLU A 18 11.519 2.400 14.893 1.00 0.00 C ATOM 275 OE1 GLU A 18 10.750 2.249 15.811 1.00 0.00 O ATOM 276 OE2 GLU A 18 12.258 1.528 14.499 1.00 0.00 O ATOM 277 H GLU A 18 12.901 6.157 15.230 1.00 0.00 H ATOM 278 HA GLU A 18 10.770 6.185 13.306 1.00 0.00 H ATOM 279 1HB GLU A 18 11.053 4.783 15.987 1.00 0.00 H ATOM 280 2HB GLU A 18 9.706 4.523 14.887 1.00 0.00 H ATOM 281 1HG GLU A 18 11.166 3.626 13.197 1.00 0.00 H ATOM 282 2HG GLU A 18 12.596 4.067 14.127 1.00 0.00 H ATOM 283 N ASP A 19 10.226 7.670 16.189 1.00 0.00 N ATOM 284 CA ASP A 19 9.331 8.580 16.894 1.00 0.00 C ATOM 285 C ASP A 19 9.113 9.862 16.101 1.00 0.00 C ATOM 286 O ASP A 19 7.986 10.344 15.979 1.00 0.00 O ATOM 287 CB ASP A 19 9.889 8.918 18.278 1.00 0.00 C ATOM 288 CG ASP A 19 9.799 7.752 19.254 1.00 0.00 C ATOM 289 OD1 ASP A 19 9.083 6.821 18.973 1.00 0.00 O ATOM 290 OD2 ASP A 19 10.448 7.804 20.272 1.00 0.00 O ATOM 291 H ASP A 19 11.112 7.427 16.610 1.00 0.00 H ATOM 292 HA ASP A 19 8.369 8.083 17.028 1.00 0.00 H ATOM 293 1HB ASP A 19 10.934 9.216 18.186 1.00 0.00 H ATOM 294 2HB ASP A 19 9.343 9.764 18.694 1.00 0.00 H ATOM 295 N LYS A 20 10.197 10.410 15.563 1.00 0.00 N ATOM 296 CA LYS A 20 10.113 11.579 14.695 1.00 0.00 C ATOM 297 C LYS A 20 9.354 11.261 13.413 1.00 0.00 C ATOM 298 O LYS A 20 8.526 12.050 12.959 1.00 0.00 O ATOM 299 CB LYS A 20 11.513 12.100 14.363 1.00 0.00 C ATOM 300 CG LYS A 20 11.529 13.334 13.471 1.00 0.00 C ATOM 301 CD LYS A 20 12.943 13.866 13.289 1.00 0.00 C ATOM 302 CE LYS A 20 12.966 15.072 12.362 1.00 0.00 C ATOM 303 NZ LYS A 20 14.337 15.633 12.212 1.00 0.00 N ATOM 304 H LYS A 20 11.101 10.007 15.760 1.00 0.00 H ATOM 305 HA LYS A 20 9.583 12.369 15.229 1.00 0.00 H ATOM 306 1HB LYS A 20 12.038 12.347 15.285 1.00 0.00 H ATOM 307 2HB LYS A 20 12.082 11.317 13.861 1.00 0.00 H ATOM 308 1HG LYS A 20 11.116 13.082 12.493 1.00 0.00 H ATOM 309 2HG LYS A 20 10.911 14.113 13.916 1.00 0.00 H ATOM 310 1HD LYS A 20 13.350 14.156 14.259 1.00 0.00 H ATOM 311 2HD LYS A 20 13.574 13.084 12.868 1.00 0.00 H ATOM 312 1HE LYS A 20 12.596 14.782 11.379 1.00 0.00 H ATOM 313 2HE LYS A 20 12.311 15.849 12.757 1.00 0.00 H ATOM 314 1HZ LYS A 20 14.309 16.429 11.591 1.00 0.00 H ATOM 315 2HZ LYS A 20 14.683 15.923 13.116 1.00 0.00 H ATOM 316 3HZ LYS A 20 14.949 14.928 11.828 1.00 0.00 H ATOM 317 N ALA A 21 9.643 10.101 12.834 1.00 0.00 N ATOM 318 CA ALA A 21 8.957 9.657 11.626 1.00 0.00 C ATOM 319 C ALA A 21 7.452 9.575 11.845 1.00 0.00 C ATOM 320 O ALA A 21 6.667 9.947 10.972 1.00 0.00 O ATOM 321 CB ALA A 21 9.500 8.309 11.174 1.00 0.00 C ATOM 322 H ALA A 21 10.355 9.511 13.240 1.00 0.00 H ATOM 323 HA ALA A 21 9.156 10.377 10.831 1.00 0.00 H ATOM 324 1HB ALA A 21 8.979 7.991 10.271 1.00 0.00 H ATOM 325 2HB ALA A 21 10.566 8.398 10.965 1.00 0.00 H ATOM 326 3HB ALA A 21 9.345 7.573 11.960 1.00 0.00 H ATOM 327 N LYS A 22 7.055 9.086 13.014 1.00 0.00 N ATOM 328 CA LYS A 22 5.647 9.041 13.388 1.00 0.00 C ATOM 329 C LYS A 22 5.028 10.433 13.375 1.00 0.00 C ATOM 330 O LYS A 22 3.926 10.628 12.864 1.00 0.00 O ATOM 331 CB LYS A 22 5.479 8.403 14.768 1.00 0.00 C ATOM 332 CG LYS A 22 4.031 8.214 15.201 1.00 0.00 C ATOM 333 CD LYS A 22 3.943 7.461 16.521 1.00 0.00 C ATOM 334 CE LYS A 22 2.497 7.258 16.948 1.00 0.00 C ATOM 335 NZ LYS A 22 2.392 6.450 18.193 1.00 0.00 N ATOM 336 H LYS A 22 7.747 8.736 13.662 1.00 0.00 H ATOM 337 HA LYS A 22 5.117 8.416 12.667 1.00 0.00 H ATOM 338 1HB LYS A 22 5.961 7.426 14.779 1.00 0.00 H ATOM 339 2HB LYS A 22 5.974 9.021 15.517 1.00 0.00 H ATOM 340 1HG LYS A 22 3.555 9.188 15.316 1.00 0.00 H ATOM 341 2HG LYS A 22 3.493 7.654 14.437 1.00 0.00 H ATOM 342 1HD LYS A 22 4.423 6.487 16.417 1.00 0.00 H ATOM 343 2HD LYS A 22 4.465 8.023 17.295 1.00 0.00 H ATOM 344 1HE LYS A 22 2.028 8.227 17.118 1.00 0.00 H ATOM 345 2HE LYS A 22 1.950 6.750 16.153 1.00 0.00 H ATOM 346 1HZ LYS A 22 1.419 6.338 18.441 1.00 0.00 H ATOM 347 2HZ LYS A 22 2.807 5.541 18.041 1.00 0.00 H ATOM 348 3HZ LYS A 22 2.878 6.921 18.942 1.00 0.00 H ATOM 349 N GLU A 23 5.745 11.398 13.940 1.00 0.00 N ATOM 350 CA GLU A 23 5.272 12.776 13.987 1.00 0.00 C ATOM 351 C GLU A 23 5.220 13.388 12.593 1.00 0.00 C ATOM 352 O GLU A 23 4.322 14.171 12.281 1.00 0.00 O ATOM 353 CB GLU A 23 6.174 13.620 14.891 1.00 0.00 C ATOM 354 CG GLU A 23 6.056 13.297 16.374 1.00 0.00 C ATOM 355 CD GLU A 23 4.689 13.587 16.928 1.00 0.00 C ATOM 356 OE1 GLU A 23 4.261 14.713 16.845 1.00 0.00 O ATOM 357 OE2 GLU A 23 4.071 12.680 17.435 1.00 0.00 O ATOM 358 H GLU A 23 6.641 11.171 14.348 1.00 0.00 H ATOM 359 HA GLU A 23 4.267 12.783 14.410 1.00 0.00 H ATOM 360 1HB GLU A 23 7.215 13.479 14.600 1.00 0.00 H ATOM 361 2HB GLU A 23 5.938 14.675 14.758 1.00 0.00 H ATOM 362 1HG GLU A 23 6.281 12.242 16.524 1.00 0.00 H ATOM 363 2HG GLU A 23 6.796 13.880 16.921 1.00 0.00 H ATOM 364 N ILE A 24 6.188 13.027 11.757 1.00 0.00 N ATOM 365 CA ILE A 24 6.200 13.461 10.365 1.00 0.00 C ATOM 366 C ILE A 24 4.960 12.974 9.626 1.00 0.00 C ATOM 367 O ILE A 24 4.337 13.726 8.876 1.00 0.00 O ATOM 368 CB ILE A 24 7.461 12.954 9.642 1.00 0.00 C ATOM 369 CG1 ILE A 24 8.705 13.669 10.174 1.00 0.00 C ATOM 370 CG2 ILE A 24 7.330 13.153 8.140 1.00 0.00 C ATOM 371 CD1 ILE A 24 10.007 13.048 9.722 1.00 0.00 C ATOM 372 H ILE A 24 6.935 12.437 12.095 1.00 0.00 H ATOM 373 HA ILE A 24 6.215 14.551 10.342 1.00 0.00 H ATOM 374 HB ILE A 24 7.596 11.892 9.848 1.00 0.00 H ATOM 375 1HG1 ILE A 24 8.693 14.709 9.851 1.00 0.00 H ATOM 376 2HG1 ILE A 24 8.688 13.666 11.265 1.00 0.00 H ATOM 377 1HG2 ILE A 24 8.230 12.790 7.645 1.00 0.00 H ATOM 378 2HG2 ILE A 24 6.466 12.600 7.774 1.00 0.00 H ATOM 379 3HG2 ILE A 24 7.200 14.214 7.924 1.00 0.00 H ATOM 380 1HD1 ILE A 24 10.843 13.609 10.140 1.00 0.00 H ATOM 381 2HD1 ILE A 24 10.056 12.014 10.066 1.00 0.00 H ATOM 382 3HD1 ILE A 24 10.063 13.071 8.634 1.00 0.00 H ATOM 383 N LEU A 25 4.605 11.712 9.843 1.00 0.00 N ATOM 384 CA LEU A 25 3.398 11.144 9.254 1.00 0.00 C ATOM 385 C LEU A 25 2.154 11.886 9.724 1.00 0.00 C ATOM 386 O LEU A 25 1.236 12.136 8.943 1.00 0.00 O ATOM 387 CB LEU A 25 3.282 9.658 9.615 1.00 0.00 C ATOM 388 CG LEU A 25 4.276 8.723 8.914 1.00 0.00 C ATOM 389 CD1 LEU A 25 4.188 7.333 9.530 1.00 0.00 C ATOM 390 CD2 LEU A 25 3.970 8.681 7.425 1.00 0.00 C ATOM 391 H LEU A 25 5.187 11.132 10.430 1.00 0.00 H ATOM 392 HA LEU A 25 3.468 11.231 8.169 1.00 0.00 H ATOM 393 1HB LEU A 25 3.426 9.549 10.689 1.00 0.00 H ATOM 394 2HB LEU A 25 2.277 9.317 9.368 1.00 0.00 H ATOM 395 HG LEU A 25 5.291 9.091 9.066 1.00 0.00 H ATOM 396 1HD1 LEU A 25 4.895 6.669 9.032 1.00 0.00 H ATOM 397 2HD1 LEU A 25 4.431 7.390 10.592 1.00 0.00 H ATOM 398 3HD1 LEU A 25 3.178 6.945 9.408 1.00 0.00 H ATOM 399 1HD2 LEU A 25 4.677 8.017 6.926 1.00 0.00 H ATOM 400 2HD2 LEU A 25 2.956 8.312 7.272 1.00 0.00 H ATOM 401 3HD2 LEU A 25 4.058 9.684 7.007 1.00 0.00 H ATOM 402 N ARG A 26 2.129 12.236 11.006 1.00 0.00 N ATOM 403 CA ARG A 26 1.026 13.007 11.568 1.00 0.00 C ATOM 404 C ARG A 26 0.921 14.377 10.911 1.00 0.00 C ATOM 405 O ARG A 26 -0.178 14.873 10.662 1.00 0.00 O ATOM 406 CB ARG A 26 1.205 13.180 13.069 1.00 0.00 C ATOM 407 CG ARG A 26 1.021 11.911 13.886 1.00 0.00 C ATOM 408 CD ARG A 26 1.236 12.154 15.335 1.00 0.00 C ATOM 409 NE ARG A 26 0.187 12.983 15.907 1.00 0.00 N ATOM 410 CZ ARG A 26 0.273 13.616 17.094 1.00 0.00 C ATOM 411 NH1 ARG A 26 1.364 13.506 17.820 1.00 0.00 N ATOM 412 NH2 ARG A 26 -0.738 14.347 17.527 1.00 0.00 N ATOM 413 H ARG A 26 2.893 11.961 11.606 1.00 0.00 H ATOM 414 HA ARG A 26 0.098 12.462 11.392 1.00 0.00 H ATOM 415 1HB ARG A 26 2.204 13.562 13.275 1.00 0.00 H ATOM 416 2HB ARG A 26 0.491 13.916 13.438 1.00 0.00 H ATOM 417 1HG ARG A 26 0.008 11.533 13.748 1.00 0.00 H ATOM 418 2HG ARG A 26 1.737 11.158 13.555 1.00 0.00 H ATOM 419 1HD ARG A 26 1.247 11.203 15.866 1.00 0.00 H ATOM 420 2HD ARG A 26 2.189 12.662 15.481 1.00 0.00 H ATOM 421 HE ARG A 26 -0.668 13.091 15.378 1.00 0.00 H ATOM 422 1HH1 ARG A 26 2.137 12.946 17.488 1.00 0.00 H ATOM 423 2HH1 ARG A 26 1.429 13.980 18.708 1.00 0.00 H ATOM 424 1HH2 ARG A 26 -1.577 14.432 16.969 1.00 0.00 H ATOM 425 2HH2 ARG A 26 -0.673 14.822 18.416 1.00 0.00 H ATOM 426 N LYS A 27 2.069 14.984 10.632 1.00 0.00 N ATOM 427 CA LYS A 27 2.110 16.268 9.943 1.00 0.00 C ATOM 428 C LYS A 27 1.580 16.147 8.520 1.00 0.00 C ATOM 429 O LYS A 27 0.904 17.046 8.020 1.00 0.00 O ATOM 430 CB LYS A 27 3.534 16.824 9.928 1.00 0.00 C ATOM 431 CG LYS A 27 4.036 17.305 11.283 1.00 0.00 C ATOM 432 CD LYS A 27 5.472 17.799 11.198 1.00 0.00 C ATOM 433 CE LYS A 27 5.978 18.270 12.553 1.00 0.00 C ATOM 434 NZ LYS A 27 7.386 18.747 12.486 1.00 0.00 N ATOM 435 H LYS A 27 2.937 14.544 10.904 1.00 0.00 H ATOM 436 HA LYS A 27 1.483 16.974 10.490 1.00 0.00 H ATOM 437 1HB LYS A 27 4.221 16.055 9.571 1.00 0.00 H ATOM 438 2HB LYS A 27 3.591 17.662 9.233 1.00 0.00 H ATOM 439 1HG LYS A 27 3.402 18.119 11.638 1.00 0.00 H ATOM 440 2HG LYS A 27 3.983 16.488 12.002 1.00 0.00 H ATOM 441 1HD LYS A 27 6.114 16.992 10.840 1.00 0.00 H ATOM 442 2HD LYS A 27 5.531 18.626 10.491 1.00 0.00 H ATOM 443 1HE LYS A 27 5.349 19.083 12.913 1.00 0.00 H ATOM 444 2HE LYS A 27 5.919 17.451 13.269 1.00 0.00 H ATOM 445 1HZ LYS A 27 7.684 19.050 13.403 1.00 0.00 H ATOM 446 2HZ LYS A 27 7.982 17.994 12.171 1.00 0.00 H ATOM 447 3HZ LYS A 27 7.451 19.520 11.840 1.00 0.00 H ATOM 448 N LEU A 28 1.891 15.029 7.871 1.00 0.00 N ATOM 449 CA LEU A 28 1.412 14.769 6.519 1.00 0.00 C ATOM 450 C LEU A 28 -0.104 14.631 6.489 1.00 0.00 C ATOM 451 O LEU A 28 -0.765 15.125 5.575 1.00 0.00 O ATOM 452 CB LEU A 28 2.060 13.495 5.963 1.00 0.00 C ATOM 453 CG LEU A 28 3.559 13.590 5.655 1.00 0.00 C ATOM 454 CD1 LEU A 28 4.092 12.211 5.290 1.00 0.00 C ATOM 455 CD2 LEU A 28 3.783 14.580 4.521 1.00 0.00 C ATOM 456 H LEU A 28 2.475 14.342 8.327 1.00 0.00 H ATOM 457 HA LEU A 28 1.690 15.612 5.886 1.00 0.00 H ATOM 458 1HB LEU A 28 1.921 12.691 6.685 1.00 0.00 H ATOM 459 2HB LEU A 28 1.549 13.219 5.041 1.00 0.00 H ATOM 460 HG LEU A 28 4.093 13.930 6.543 1.00 0.00 H ATOM 461 1HD1 LEU A 28 5.158 12.279 5.071 1.00 0.00 H ATOM 462 2HD1 LEU A 28 3.937 11.529 6.126 1.00 0.00 H ATOM 463 3HD1 LEU A 28 3.565 11.838 4.413 1.00 0.00 H ATOM 464 1HD2 LEU A 28 4.849 14.649 4.303 1.00 0.00 H ATOM 465 2HD2 LEU A 28 3.251 14.241 3.632 1.00 0.00 H ATOM 466 3HD2 LEU A 28 3.409 15.561 4.816 1.00 0.00 H ATOM 467 N GLY A 29 -0.652 13.955 7.494 1.00 0.00 N ATOM 468 CA GLY A 29 -2.097 13.813 7.624 1.00 0.00 C ATOM 469 C GLY A 29 -2.476 12.396 8.033 1.00 0.00 C ATOM 470 O GLY A 29 -3.607 11.959 7.819 1.00 0.00 O ATOM 471 H GLY A 29 -0.051 13.530 8.185 1.00 0.00 H ATOM 472 1HA GLY A 29 -2.467 14.521 8.366 1.00 0.00 H ATOM 473 2HA GLY A 29 -2.574 14.062 6.677 1.00 0.00 H ATOM 474 N VAL A 30 -1.524 11.681 8.623 1.00 0.00 N ATOM 475 CA VAL A 30 -1.741 10.294 9.018 1.00 0.00 C ATOM 476 C VAL A 30 -2.100 10.192 10.495 1.00 0.00 C ATOM 477 O VAL A 30 -1.449 10.798 11.346 1.00 0.00 O ATOM 478 CB VAL A 30 -0.479 9.456 8.741 1.00 0.00 C ATOM 479 CG1 VAL A 30 -0.686 8.017 9.188 1.00 0.00 C ATOM 480 CG2 VAL A 30 -0.132 9.516 7.261 1.00 0.00 C ATOM 481 H VAL A 30 -0.627 12.109 8.802 1.00 0.00 H ATOM 482 HA VAL A 30 -2.580 9.898 8.446 1.00 0.00 H ATOM 483 HB VAL A 30 0.349 9.858 9.325 1.00 0.00 H ATOM 484 1HG1 VAL A 30 0.216 7.439 8.985 1.00 0.00 H ATOM 485 2HG1 VAL A 30 -0.897 7.995 10.257 1.00 0.00 H ATOM 486 3HG1 VAL A 30 -1.524 7.583 8.643 1.00 0.00 H ATOM 487 1HG2 VAL A 30 0.761 8.922 7.072 1.00 0.00 H ATOM 488 2HG2 VAL A 30 -0.963 9.119 6.676 1.00 0.00 H ATOM 489 3HG2 VAL A 30 0.053 10.550 6.972 1.00 0.00 H ATOM 490 N ASP A 31 -3.140 9.421 10.793 1.00 0.00 N ATOM 491 CA ASP A 31 -3.580 9.227 12.170 1.00 0.00 C ATOM 492 C ASP A 31 -2.463 8.649 13.029 1.00 0.00 C ATOM 493 O ASP A 31 -1.671 7.828 12.565 1.00 0.00 O ATOM 494 CB ASP A 31 -4.799 8.302 12.218 1.00 0.00 C ATOM 495 CG ASP A 31 -6.063 8.959 11.680 1.00 0.00 C ATOM 496 OD1 ASP A 31 -6.056 10.154 11.497 1.00 0.00 O ATOM 497 OD2 ASP A 31 -7.023 8.261 11.458 1.00 0.00 O ATOM 498 H ASP A 31 -3.639 8.957 10.048 1.00 0.00 H ATOM 499 HA ASP A 31 -3.863 10.196 12.583 1.00 0.00 H ATOM 500 1HB ASP A 31 -4.598 7.404 11.635 1.00 0.00 H ATOM 501 2HB ASP A 31 -4.979 7.991 13.248 1.00 0.00 H ATOM 502 N PRO A 32 -2.403 9.083 14.283 1.00 0.00 N ATOM 503 CA PRO A 32 -1.376 8.617 15.207 1.00 0.00 C ATOM 504 C PRO A 32 -1.323 7.096 15.250 1.00 0.00 C ATOM 505 O PRO A 32 -0.244 6.503 15.264 1.00 0.00 O ATOM 506 CB PRO A 32 -1.827 9.204 16.549 1.00 0.00 C ATOM 507 CG PRO A 32 -2.530 10.466 16.178 1.00 0.00 C ATOM 508 CD PRO A 32 -3.274 10.123 14.915 1.00 0.00 C ATOM 509 HA PRO A 32 -0.410 8.992 14.868 1.00 0.00 H ATOM 510 1HB PRO A 32 -2.480 8.490 17.071 1.00 0.00 H ATOM 511 2HB PRO A 32 -0.955 9.376 17.197 1.00 0.00 H ATOM 512 1HG PRO A 32 -3.199 10.781 16.992 1.00 0.00 H ATOM 513 2HG PRO A 32 -1.801 11.277 16.034 1.00 0.00 H ATOM 514 1HD PRO A 32 -4.264 9.718 15.171 1.00 0.00 H ATOM 515 2HD PRO A 32 -3.372 11.023 14.291 1.00 0.00 H ATOM 516 N ASP A 33 -2.494 6.468 15.269 1.00 0.00 N ATOM 517 CA ASP A 33 -2.582 5.014 15.326 1.00 0.00 C ATOM 518 C ASP A 33 -2.113 4.381 14.022 1.00 0.00 C ATOM 519 O ASP A 33 -1.452 3.343 14.027 1.00 0.00 O ATOM 520 CB ASP A 33 -4.018 4.575 15.625 1.00 0.00 C ATOM 521 CG ASP A 33 -4.448 4.888 17.052 1.00 0.00 C ATOM 522 OD1 ASP A 33 -3.594 5.158 17.864 1.00 0.00 O ATOM 523 OD2 ASP A 33 -5.626 4.855 17.317 1.00 0.00 O ATOM 524 H ASP A 33 -3.344 7.012 15.244 1.00 0.00 H ATOM 525 HA ASP A 33 -1.944 4.659 16.136 1.00 0.00 H ATOM 526 1HB ASP A 33 -4.702 5.074 14.938 1.00 0.00 H ATOM 527 2HB ASP A 33 -4.113 3.502 15.460 1.00 0.00 H ATOM 528 N ARG A 34 -2.460 5.013 12.906 1.00 0.00 N ATOM 529 CA ARG A 34 -2.049 4.530 11.593 1.00 0.00 C ATOM 530 C ARG A 34 -0.544 4.664 11.403 1.00 0.00 C ATOM 531 O ARG A 34 0.105 3.769 10.861 1.00 0.00 O ATOM 532 CB ARG A 34 -2.767 5.297 10.492 1.00 0.00 C ATOM 533 CG ARG A 34 -2.398 4.880 9.077 1.00 0.00 C ATOM 534 CD ARG A 34 -2.806 3.480 8.793 1.00 0.00 C ATOM 535 NE ARG A 34 -2.721 3.167 7.376 1.00 0.00 N ATOM 536 CZ ARG A 34 -2.857 1.932 6.856 1.00 0.00 C ATOM 537 NH1 ARG A 34 -3.083 0.907 7.647 1.00 0.00 N ATOM 538 NH2 ARG A 34 -2.762 1.750 5.550 1.00 0.00 N ATOM 539 H ARG A 34 -3.022 5.850 12.969 1.00 0.00 H ATOM 540 HA ARG A 34 -2.320 3.477 11.512 1.00 0.00 H ATOM 541 1HB ARG A 34 -3.843 5.171 10.603 1.00 0.00 H ATOM 542 2HB ARG A 34 -2.551 6.361 10.589 1.00 0.00 H ATOM 543 1HG ARG A 34 -2.898 5.534 8.363 1.00 0.00 H ATOM 544 2HG ARG A 34 -1.318 4.956 8.945 1.00 0.00 H ATOM 545 1HD ARG A 34 -2.154 2.795 9.334 1.00 0.00 H ATOM 546 2HD ARG A 34 -3.836 3.329 9.114 1.00 0.00 H ATOM 547 HE ARG A 34 -2.548 3.930 6.736 1.00 0.00 H ATOM 548 1HH1 ARG A 34 -3.156 1.045 8.645 1.00 0.00 H ATOM 549 2HH1 ARG A 34 -3.185 -0.019 7.257 1.00 0.00 H ATOM 550 1HH2 ARG A 34 -2.588 2.539 4.942 1.00 0.00 H ATOM 551 2HH2 ARG A 34 -2.864 0.825 5.161 1.00 0.00 H ATOM 552 N ALA A 35 0.006 5.788 11.851 1.00 0.00 N ATOM 553 CA ALA A 35 1.443 6.023 11.768 1.00 0.00 C ATOM 554 C ALA A 35 2.218 4.986 12.570 1.00 0.00 C ATOM 555 O ALA A 35 3.238 4.469 12.112 1.00 0.00 O ATOM 556 CB ALA A 35 1.778 7.426 12.253 1.00 0.00 C ATOM 557 H ALA A 35 -0.586 6.496 12.260 1.00 0.00 H ATOM 558 HA ALA A 35 1.745 5.955 10.722 1.00 0.00 H ATOM 559 1HB ALA A 35 2.854 7.587 12.185 1.00 0.00 H ATOM 560 2HB ALA A 35 1.262 8.159 11.633 1.00 0.00 H ATOM 561 3HB ALA A 35 1.460 7.538 13.288 1.00 0.00 H ATOM 562 N GLU A 36 1.730 4.685 13.768 1.00 0.00 N ATOM 563 CA GLU A 36 2.308 3.627 14.588 1.00 0.00 C ATOM 564 C GLU A 36 2.237 2.281 13.879 1.00 0.00 C ATOM 565 O GLU A 36 3.221 1.542 13.831 1.00 0.00 O ATOM 566 CB GLU A 36 1.588 3.544 15.936 1.00 0.00 C ATOM 567 CG GLU A 36 2.126 2.468 16.869 1.00 0.00 C ATOM 568 CD GLU A 36 3.480 2.803 17.429 1.00 0.00 C ATOM 569 OE1 GLU A 36 3.758 3.965 17.608 1.00 0.00 O ATOM 570 OE2 GLU A 36 4.239 1.896 17.678 1.00 0.00 O ATOM 571 H GLU A 36 0.937 5.203 14.120 1.00 0.00 H ATOM 572 HA GLU A 36 3.355 3.869 14.777 1.00 0.00 H ATOM 573 1HB GLU A 36 1.666 4.502 16.450 1.00 0.00 H ATOM 574 2HB GLU A 36 0.529 3.345 15.771 1.00 0.00 H ATOM 575 1HG GLU A 36 1.427 2.336 17.695 1.00 0.00 H ATOM 576 2HG GLU A 36 2.185 1.526 16.326 1.00 0.00 H ATOM 577 N GLU A 37 1.069 1.967 13.330 1.00 0.00 N ATOM 578 CA GLU A 37 0.880 0.728 12.585 1.00 0.00 C ATOM 579 C GLU A 37 1.907 0.595 11.468 1.00 0.00 C ATOM 580 O GLU A 37 2.563 -0.438 11.334 1.00 0.00 O ATOM 581 CB GLU A 37 -0.533 0.666 12.002 1.00 0.00 C ATOM 582 CG GLU A 37 -0.835 -0.602 11.217 1.00 0.00 C ATOM 583 CD GLU A 37 -2.183 -0.574 10.554 1.00 0.00 C ATOM 584 OE1 GLU A 37 -2.772 0.479 10.492 1.00 0.00 O ATOM 585 OE2 GLU A 37 -2.626 -1.606 10.107 1.00 0.00 O ATOM 586 H GLU A 37 0.291 2.604 13.431 1.00 0.00 H ATOM 587 HA GLU A 37 1.001 -0.110 13.272 1.00 0.00 H ATOM 588 1HB GLU A 37 -1.263 0.742 12.808 1.00 0.00 H ATOM 589 2HB GLU A 37 -0.690 1.516 11.337 1.00 0.00 H ATOM 590 1HG GLU A 37 -0.069 -0.735 10.452 1.00 0.00 H ATOM 591 2HG GLU A 37 -0.785 -1.455 11.892 1.00 0.00 H ATOM 592 N LEU A 38 2.042 1.647 10.667 1.00 0.00 N ATOM 593 CA LEU A 38 2.918 1.616 9.502 1.00 0.00 C ATOM 594 C LEU A 38 4.360 1.337 9.905 1.00 0.00 C ATOM 595 O LEU A 38 5.058 0.558 9.254 1.00 0.00 O ATOM 596 CB LEU A 38 2.841 2.947 8.745 1.00 0.00 C ATOM 597 CG LEU A 38 1.514 3.228 8.027 1.00 0.00 C ATOM 598 CD1 LEU A 38 1.499 4.669 7.534 1.00 0.00 C ATOM 599 CD2 LEU A 38 1.345 2.253 6.872 1.00 0.00 C ATOM 600 H LEU A 38 1.524 2.490 10.870 1.00 0.00 H ATOM 601 HA LEU A 38 2.581 0.820 8.837 1.00 0.00 H ATOM 602 1HB LEU A 38 3.015 3.758 9.450 1.00 0.00 H ATOM 603 2HB LEU A 38 3.633 2.968 7.996 1.00 0.00 H ATOM 604 HG LEU A 38 0.688 3.107 8.729 1.00 0.00 H ATOM 605 1HD1 LEU A 38 0.556 4.869 7.024 1.00 0.00 H ATOM 606 2HD1 LEU A 38 1.602 5.345 8.382 1.00 0.00 H ATOM 607 3HD1 LEU A 38 2.325 4.825 6.842 1.00 0.00 H ATOM 608 1HD2 LEU A 38 0.401 2.452 6.363 1.00 0.00 H ATOM 609 2HD2 LEU A 38 2.169 2.374 6.169 1.00 0.00 H ATOM 610 3HD2 LEU A 38 1.341 1.232 7.255 1.00 0.00 H ATOM 611 N LEU A 39 4.803 1.977 10.982 1.00 0.00 N ATOM 612 CA LEU A 39 6.162 1.795 11.477 1.00 0.00 C ATOM 613 C LEU A 39 6.373 0.380 12.000 1.00 0.00 C ATOM 614 O LEU A 39 7.459 -0.185 11.868 1.00 0.00 O ATOM 615 CB LEU A 39 6.461 2.808 12.590 1.00 0.00 C ATOM 616 CG LEU A 39 6.553 4.274 12.147 1.00 0.00 C ATOM 617 CD1 LEU A 39 6.706 5.166 13.372 1.00 0.00 C ATOM 618 CD2 LEU A 39 7.729 4.444 11.197 1.00 0.00 C ATOM 619 H LEU A 39 4.181 2.605 11.471 1.00 0.00 H ATOM 620 HA LEU A 39 6.856 1.971 10.655 1.00 0.00 H ATOM 621 1HB LEU A 39 5.677 2.738 13.343 1.00 0.00 H ATOM 622 2HB LEU A 39 7.409 2.542 13.056 1.00 0.00 H ATOM 623 HG LEU A 39 5.631 4.560 11.640 1.00 0.00 H ATOM 624 1HD1 LEU A 39 6.772 6.207 13.058 1.00 0.00 H ATOM 625 2HD1 LEU A 39 5.843 5.038 14.025 1.00 0.00 H ATOM 626 3HD1 LEU A 39 7.613 4.892 13.910 1.00 0.00 H ATOM 627 1HD2 LEU A 39 7.794 5.486 10.882 1.00 0.00 H ATOM 628 2HD2 LEU A 39 8.651 4.160 11.704 1.00 0.00 H ATOM 629 3HD2 LEU A 39 7.585 3.809 10.322 1.00 0.00 H ATOM 630 N ARG A 40 5.329 -0.188 12.594 1.00 0.00 N ATOM 631 CA ARG A 40 5.381 -1.558 13.089 1.00 0.00 C ATOM 632 C ARG A 40 5.369 -2.559 11.941 1.00 0.00 C ATOM 633 O ARG A 40 5.898 -3.664 12.062 1.00 0.00 O ATOM 634 CB ARG A 40 4.206 -1.838 14.014 1.00 0.00 C ATOM 635 CG ARG A 40 4.267 -1.130 15.358 1.00 0.00 C ATOM 636 CD ARG A 40 3.104 -1.476 16.214 1.00 0.00 C ATOM 637 NE ARG A 40 3.127 -0.755 17.477 1.00 0.00 N ATOM 638 CZ ARG A 40 2.333 -1.031 18.530 1.00 0.00 C ATOM 639 NH1 ARG A 40 1.462 -2.013 18.457 1.00 0.00 N ATOM 640 NH2 ARG A 40 2.431 -0.316 19.637 1.00 0.00 N ATOM 641 H ARG A 40 4.478 0.344 12.706 1.00 0.00 H ATOM 642 HA ARG A 40 6.304 -1.687 13.655 1.00 0.00 H ATOM 643 1HB ARG A 40 3.280 -1.539 13.526 1.00 0.00 H ATOM 644 2HB ARG A 40 4.143 -2.909 14.208 1.00 0.00 H ATOM 645 1HG ARG A 40 5.177 -1.422 15.882 1.00 0.00 H ATOM 646 2HG ARG A 40 4.269 -0.051 15.201 1.00 0.00 H ATOM 647 1HD ARG A 40 2.181 -1.222 15.694 1.00 0.00 H ATOM 648 2HD ARG A 40 3.116 -2.543 16.431 1.00 0.00 H ATOM 649 HE ARG A 40 3.784 0.008 17.571 1.00 0.00 H ATOM 650 1HH1 ARG A 40 1.387 -2.560 17.611 1.00 0.00 H ATOM 651 2HH1 ARG A 40 0.867 -2.220 19.247 1.00 0.00 H ATOM 652 1HH2 ARG A 40 3.101 0.439 19.693 1.00 0.00 H ATOM 653 2HH2 ARG A 40 1.837 -0.523 20.426 1.00 0.00 H ATOM 654 N ARG A 41 4.762 -2.166 10.826 1.00 0.00 N ATOM 655 CA ARG A 41 4.743 -2.998 9.629 1.00 0.00 C ATOM 656 C ARG A 41 6.106 -3.016 8.949 1.00 0.00 C ATOM 657 O ARG A 41 6.509 -4.025 8.370 1.00 0.00 O ATOM 658 CB ARG A 41 3.696 -2.498 8.646 1.00 0.00 C ATOM 659 CG ARG A 41 2.256 -2.771 9.051 1.00 0.00 C ATOM 660 CD ARG A 41 1.293 -2.220 8.063 1.00 0.00 C ATOM 661 NE ARG A 41 1.449 -2.834 6.754 1.00 0.00 N ATOM 662 CZ ARG A 41 0.879 -3.996 6.381 1.00 0.00 C ATOM 663 NH1 ARG A 41 0.119 -4.657 7.226 1.00 0.00 N ATOM 664 NH2 ARG A 41 1.082 -4.471 5.164 1.00 0.00 N ATOM 665 H ARG A 41 4.302 -1.267 10.807 1.00 0.00 H ATOM 666 HA ARG A 41 4.485 -4.017 9.920 1.00 0.00 H ATOM 667 1HB ARG A 41 3.803 -1.422 8.516 1.00 0.00 H ATOM 668 2HB ARG A 41 3.858 -2.963 7.673 1.00 0.00 H ATOM 669 1HG ARG A 41 2.096 -3.847 9.123 1.00 0.00 H ATOM 670 2HG ARG A 41 2.056 -2.309 10.019 1.00 0.00 H ATOM 671 1HD ARG A 41 0.275 -2.403 8.406 1.00 0.00 H ATOM 672 2HD ARG A 41 1.453 -1.148 7.958 1.00 0.00 H ATOM 673 HE ARG A 41 2.026 -2.354 6.076 1.00 0.00 H ATOM 674 1HH1 ARG A 41 -0.036 -4.293 8.156 1.00 0.00 H ATOM 675 2HH1 ARG A 41 -0.308 -5.527 6.946 1.00 0.00 H ATOM 676 1HH2 ARG A 41 1.666 -3.963 4.514 1.00 0.00 H ATOM 677 2HH2 ARG A 41 0.655 -5.341 4.885 1.00 0.00 H ATOM 678 N LEU A 42 6.813 -1.893 9.023 1.00 0.00 N ATOM 679 CA LEU A 42 8.127 -1.773 8.402 1.00 0.00 C ATOM 680 C LEU A 42 9.206 -2.408 9.269 1.00 0.00 C ATOM 681 O LEU A 42 10.071 -3.129 8.771 1.00 0.00 O ATOM 682 CB LEU A 42 8.463 -0.296 8.155 1.00 0.00 C ATOM 683 CG LEU A 42 7.608 0.413 7.097 1.00 0.00 C ATOM 684 CD1 LEU A 42 8.016 1.877 7.012 1.00 0.00 C ATOM 685 CD2 LEU A 42 7.782 -0.282 5.754 1.00 0.00 C ATOM 686 H LEU A 42 6.430 -1.102 9.522 1.00 0.00 H ATOM 687 HA LEU A 42 8.103 -2.287 7.440 1.00 0.00 H ATOM 688 1HB LEU A 42 8.349 0.247 9.091 1.00 0.00 H ATOM 689 2HB LEU A 42 9.505 -0.225 7.842 1.00 0.00 H ATOM 690 HG LEU A 42 6.559 0.375 7.391 1.00 0.00 H ATOM 691 1HD1 LEU A 42 7.409 2.381 6.260 1.00 0.00 H ATOM 692 2HD1 LEU A 42 7.863 2.354 7.980 1.00 0.00 H ATOM 693 3HD1 LEU A 42 9.067 1.946 6.734 1.00 0.00 H ATOM 694 1HD2 LEU A 42 7.174 0.221 5.002 1.00 0.00 H ATOM 695 2HD2 LEU A 42 8.831 -0.244 5.458 1.00 0.00 H ATOM 696 3HD2 LEU A 42 7.467 -1.322 5.839 1.00 0.00 H ATOM 697 N ARG A 43 9.150 -2.135 10.568 1.00 0.00 N ATOM 698 CA ARG A 43 10.168 -2.615 11.495 1.00 0.00 C ATOM 699 C ARG A 43 9.543 -3.398 12.643 1.00 0.00 C ATOM 700 O ARG A 43 8.408 -3.135 13.040 1.00 0.00 O ATOM 701 OXT ARG A 43 10.158 -4.282 13.171 1.00 0.00 O ATOM 702 CB ARG A 43 10.971 -1.451 12.058 1.00 0.00 C ATOM 703 CG ARG A 43 11.799 -0.691 11.034 1.00 0.00 C ATOM 704 CD ARG A 43 12.525 0.448 11.651 1.00 0.00 C ATOM 705 NE ARG A 43 13.316 1.180 10.674 1.00 0.00 N ATOM 706 CZ ARG A 43 14.054 2.272 10.952 1.00 0.00 C ATOM 707 NH1 ARG A 43 14.093 2.746 12.177 1.00 0.00 N ATOM 708 NH2 ARG A 43 14.740 2.868 9.991 1.00 0.00 N ATOM 709 H ARG A 43 8.383 -1.582 10.922 1.00 0.00 H ATOM 710 HA ARG A 43 10.834 -3.290 10.959 1.00 0.00 H ATOM 711 1HB ARG A 43 10.296 -0.738 12.530 1.00 0.00 H ATOM 712 2HB ARG A 43 11.651 -1.816 12.827 1.00 0.00 H ATOM 713 1HG ARG A 43 12.531 -1.363 10.587 1.00 0.00 H ATOM 714 2HG ARG A 43 11.144 -0.298 10.255 1.00 0.00 H ATOM 715 1HD ARG A 43 11.809 1.138 12.096 1.00 0.00 H ATOM 716 2HD ARG A 43 13.197 0.075 12.423 1.00 0.00 H ATOM 717 HE ARG A 43 13.312 0.845 9.720 1.00 0.00 H ATOM 718 1HH1 ARG A 43 13.569 2.291 12.911 1.00 0.00 H ATOM 719 2HH1 ARG A 43 14.646 3.565 12.385 1.00 0.00 H ATOM 720 1HH2 ARG A 43 14.711 2.503 9.049 1.00 0.00 H ATOM 721 2HH2 ARG A 43 15.293 3.686 10.199 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE nods_bigger.blueprint.44_try207_pass_20150520053213_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 rama omega fa_dun p_aa_pp ref total weights 0.8 0.44 0.75 0.004 0.7 1 1.17 1.17 1.17 1.1 1 0.2 0.5 0.56 0.32 1 NA pose -169.598 16.0485 96.374 0.25272 -21.2123 0.08233 -23.6346 -1.90112 -0.986 -6.94098 0 -6.01638 2.42341 42.7606 -6.45264 -13.161 -91.9616 PRO:NtermProteinFull_1 -2.13555 0.18643 1.60319 0.00597 0.11312 0.02491 0 0 0 0 0 0 0.06942 0.08952 0 -0.21929 -0.26229 GLU_2 -3.22623 0.30526 2.558 0.00505 -0.90451 0 0 0 0 -0.19974 0 -0.26202 0.07739 2.34416 -0.15931 -1.55374 -1.0157 ASP_3 -3.7972 0.31224 2.56205 0.00335 -1.02406 0 0 0 0 -0.51828 0 -0.15919 0.13024 1.29168 0.01599 -1.28682 -2.46999 GLU_4 -4.66513 0.41341 3.01363 0.00476 -1.17628 0 0 0 0 -0.4042 0 -0.24317 0.13557 2.15343 -0.13157 -1.55374 -2.45329 LYS_5 -4.33919 0.33144 2.8964 0.00317 -1.07531 0 0 0 0 -0.19974 0 -0.20515 0.08354 0.85948 -0.04983 -0.28737 -1.98256 LYS_6 -4.14187 0.37478 2.37548 0.00319 -0.56636 0 0 0 0 0 0 -0.17948 0.02493 0.9622 -0.04643 -0.28737 -1.48094 ALA_7 -4.3422 0.44166 1.67721 0.00074 -0.14979 0 0 0 0 0 0 -0.19808 0.08768 0 -0.18116 0.59294 -2.07099 LYS_8 -4.38584 0.41102 2.11752 0.00307 -0.18926 0 0 0 0 0 0 -0.16617 0.08311 0.87819 -0.04307 -0.28737 -1.57881 GLU_9 -4.21863 0.31968 2.86077 0.0074 -1.08936 0 0 0 0 -0.47722 0 -0.17198 0.0061 2.31683 -0.09915 -1.55374 -2.0993 ALA_10 -4.66986 0.36762 1.84477 0.00074 -0.29715 0 0 0 0 0 0 -0.156 0.0301 0 -0.18348 0.59294 -2.47032 LEU_11 -5.67275 0.33121 2.62372 0.00636 -0.27342 0 0 0 0 0 0 -0.1178 0.09642 0.36917 -0.12279 0.60233 -2.15755 LYS_12 -3.08327 0.34327 1.77596 0.00308 0.00241 0 0 0 0 0 0 -0.16242 0.01494 0.86476 -0.0413 -0.28737 -0.56994 ARG_13 -3.57076 0.25159 2.25291 0.00962 -0.96816 0 0 0 0 -0.47722 0 -0.25098 0.00392 1.4985 -0.09714 -0.14916 -1.49689 ALA_14 -4.39725 0.81987 2.05184 0.00109 -0.29182 0 0 0 0 0 0 -0.16297 0.00148 0 -0.0192 0.59294 -1.404 ASN_15 -2.0495 0.42414 1.47881 0.00464 -0.06188 0 0 0 0 0 0 -0.32946 0.17187 1.2689 -0.53305 -0.94198 -0.56752 GLY_16 -1.89558 0.23431 1.33874 1e-05 -0.27927 0 0 0 -0.26398 0 0 -0.26845 0.03003 0 -0.80164 0.14053 -1.7653 ASP_17 -4.20367 0.46905 3.05515 0.02094 -0.77279 0 0 0 -0.22902 0 0 -0.06272 0.31614 1.52681 -0.41504 -1.28682 -1.58196 GLU_18 -3.92661 0.28334 2.62601 0.00462 -0.62504 0 0 0 0 -0.40974 0 -0.24228 9e-05 2.31261 -0.14842 -1.55374 -1.67915 ASP_19 -2.62973 0.18853 1.90737 0.00337 -0.18996 0 0 0 0 0 0 -0.08969 0.11611 1.30545 0.06267 -1.28682 -0.61269 LYS_20 -4.55248 0.46151 2.46544 0.0054 -0.49956 0 0 0 -0.22902 0 0 -0.18687 0.02009 1.00021 -0.04455 -0.28737 -1.84719 ALA_21 -4.95563 0.44596 2.02164 0.00074 -0.25601 0 0 0 0 0 0 -0.16505 0.09619 0 -0.1915 0.59294 -2.41071 LYS_22 -5.3425 0.49954 3.29185 0.00478 -1.12093 0 0 0 0 -0.49286 0 -0.15253 0.00085 0.94752 -0.04272 -0.28737 -2.69438 GLU_23 -4.37392 0.33239 3.0082 0.00443 -0.96288 0 0 0 0 -0.36963 0 -0.25406 0.10714 2.45905 -0.15058 -1.55374 -1.7536 ILE_24 -5.48761 0.49406 1.99052 0.02136 -0.25044 0 0 0 0 0 0 -0.02271 0.05593 0.10255 -0.06298 0.8318 -2.32751 LEU_25 -6.37973 0.63774 1.95254 0.0067 -0.46762 0 0 0 0 0 0 -0.10125 0.04539 0.30889 -0.12276 0.60233 -3.51777 ARG_26 -4.95458 0.44416 3.13868 0.00918 -0.78685 0 0 0 0 -0.36963 0 -0.21072 0.04847 1.63874 -0.08218 -0.14916 -1.27388 LYS_27 -2.45513 0.27093 1.3609 0.00309 0.02261 0 0 0 0 0 0 -0.23847 0.01914 0.76024 -0.03824 -0.28737 -0.5823 LEU_28 -2.55603 0.23711 1.06491 0.00676 -0.0307 0 0 0 0 0 0 -0.11501 0.05854 0.24088 -0.11845 0.60233 -0.60964 GLY_29 -1.31878 0.1578 0.86043 7e-05 0.1707 0 0 0 0 0 0 0.50057 0.0276 0 -1.23291 0.14053 -0.69399 VAL_30 -3.75272 0.58045 1.38246 0.01261 0.03122 0 0 0 0 0 0 -0.18575 0.00196 0.04454 -0.23053 0.74484 -1.37091 ASP_31 -2.59489 0.58122 1.5786 0.00338 -0.26779 0.00326 0 0 0 0 0 -0.18762 0.00112 1.45708 0.07232 -1.28682 -0.64014 PRO_32 -2.97819 0.3644 1.72338 0.00091 -0.25536 0.05416 0 0 0 0 0 0.07286 0.00264 0.08679 -0.19779 -0.21929 -1.34548 ASP_33 -2.25686 0.23615 1.39535 0.0033 -0.07512 0 0 0 0 0 0 -0.15332 0.01047 1.33003 0.00855 -1.28682 -0.78828 ARG_34 -5.31375 0.41038 3.57707 0.01311 -1.38314 0 0 0 0 -0.76248 0 -0.17871 0.01858 1.99772 -0.08596 -0.14916 -1.85632 ALA_35 -4.40967 0.31854 1.7351 0.00073 -0.25727 0 0 0 0 0 0 -0.14426 0.14569 0 -0.1712 0.59294 -2.18939 GLU_36 -4.967 0.39397 3.85278 0.00863 -1.62011 0 0 0 0 -0.84748 0 -0.15142 0.02041 2.70227 -0.10507 -1.55374 -2.26676 GLU_37 -4.4074 0.43364 3.0411 0.0078 -1.11194 0 0 0 0 -0.2442 0 -0.0614 0.10235 2.23553 -0.09957 -1.55374 -1.65783 LEU_38 -5.92752 0.4755 2.42819 0.00634 -0.26629 0 0 0 0 0 0 -0.08531 0.00028 0.34222 -0.12189 0.60233 -2.54615 LEU_39 -4.82394 0.3133 1.91219 0.00724 -0.1375 0 0 0 0 0 0 -0.13808 0.033 0.13286 -0.12711 0.60233 -2.22572 ARG_40 -3.92906 0.33764 2.93132 0.00779 -0.52912 0 0 0 0 -0.35462 0 -0.24479 0.05866 1.27812 -0.10202 -0.14916 -0.69525 ARG_41 -3.47257 0.30251 2.44891 0.01133 -1.12024 0 0 0 0 -0.4042 0 -0.20211 0.00228 1.9002 -0.10527 -0.14916 -0.78831 LEU_42 -3.38405 0.28453 1.18335 0.00807 0.16394 0 0 0 0 0 0 0.01763 0.06753 0.29144 -0.1063 0.60233 -0.87152 ARG:CtermProteinFull_43 -3.65334 0.2262 3.40959 0.00777 -0.38301 0 0 0 -0.26398 -0.40974 0 0 0 1.462 0 -0.14916 0.24635 #END_POSE_ENERGIES_TABLE nods_bigger.blueprint.44_try207_pass_20150520053213_0001.pdb AlaCount 5 bb -0.0442017 buried_minus_exposed 3819.12 buried_np 5295.56 buried_over_exposed 3.58668 cavity_volume 0 contact_all 188 contact_core_SASA 188 contact_core_SCN 188 degree 10.5814 degree_core_SASA 10.5814 degree_core_SCN 10.5814 exposed_hydrophobics 1476.44 holes 2.23302 mismatch_probability 0.119079 one_core_each 0.666667 pack 0.555422 percent_core_SASA 0.0465008 percent_core_SCN 0.139502 res_count_core_SASA 2 res_count_core_SCN 6 ss_sc 0.748756 two_core_each 0.666667 unsat_hbond 2
HHH_rd2_0165.pdb
ATOM 1 N SER A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA SER A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C SER A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O SER A 1 1.254 2.389 -0.082 1.00 0.00 O ATOM 5 CB SER A 1 1.980 -0.754 -1.207 1.00 0.00 C ATOM 6 OG SER A 1 1.738 -0.041 -2.389 1.00 0.00 O ATOM 7 1H SER A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 8 2H SER A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 9 3H SER A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 10 HA SER A 1 1.820 -0.555 0.878 1.00 0.00 H ATOM 11 1HB SER A 1 3.050 -0.924 -1.095 1.00 0.00 H ATOM 12 2HB SER A 1 1.498 -1.730 -1.263 1.00 0.00 H ATOM 13 HG SER A 1 0.958 -0.439 -2.783 1.00 0.00 H ATOM 14 N GLN A 2 3.329 1.537 0.092 1.00 0.00 N ATOM 15 CA GLN A 2 3.982 2.840 0.132 1.00 0.00 C ATOM 16 C GLN A 2 3.906 3.536 -1.221 1.00 0.00 C ATOM 17 O GLN A 2 3.798 4.760 -1.295 1.00 0.00 O ATOM 18 CB GLN A 2 5.444 2.695 0.563 1.00 0.00 C ATOM 19 CG GLN A 2 5.626 2.182 1.981 1.00 0.00 C ATOM 20 CD GLN A 2 5.084 3.145 3.020 1.00 0.00 C ATOM 21 OE1 GLN A 2 5.324 4.354 2.950 1.00 0.00 O ATOM 22 NE2 GLN A 2 4.350 2.615 3.991 1.00 0.00 N ATOM 23 H GLN A 2 3.895 0.702 0.135 1.00 0.00 H ATOM 24 HA GLN A 2 3.474 3.459 0.873 1.00 0.00 H ATOM 25 1HB GLN A 2 5.955 2.008 -0.112 1.00 0.00 H ATOM 26 2HB GLN A 2 5.943 3.661 0.488 1.00 0.00 H ATOM 27 1HG GLN A 2 5.097 1.234 2.085 1.00 0.00 H ATOM 28 2HG GLN A 2 6.690 2.038 2.170 1.00 0.00 H ATOM 29 1HE2 GLN A 2 3.965 3.202 4.705 1.00 0.00 H ATOM 30 2HE2 GLN A 2 4.180 1.630 4.009 1.00 0.00 H ATOM 31 N GLU A 3 3.961 2.749 -2.290 1.00 0.00 N ATOM 32 CA GLU A 3 3.878 3.286 -3.643 1.00 0.00 C ATOM 33 C GLU A 3 2.473 3.789 -3.950 1.00 0.00 C ATOM 34 O GLU A 3 2.300 4.791 -4.644 1.00 0.00 O ATOM 35 CB GLU A 3 4.284 2.222 -4.665 1.00 0.00 C ATOM 36 CG GLU A 3 5.759 1.849 -4.631 1.00 0.00 C ATOM 37 CD GLU A 3 6.665 3.016 -4.906 1.00 0.00 C ATOM 38 OE1 GLU A 3 6.342 3.806 -5.761 1.00 0.00 O ATOM 39 OE2 GLU A 3 7.682 3.118 -4.262 1.00 0.00 O ATOM 40 H GLU A 3 4.065 1.752 -2.162 1.00 0.00 H ATOM 41 HA GLU A 3 4.575 4.121 -3.727 1.00 0.00 H ATOM 42 1HB GLU A 3 3.705 1.315 -4.495 1.00 0.00 H ATOM 43 2HB GLU A 3 4.052 2.576 -5.670 1.00 0.00 H ATOM 44 1HG GLU A 3 5.998 1.442 -3.649 1.00 0.00 H ATOM 45 2HG GLU A 3 5.943 1.070 -5.370 1.00 0.00 H ATOM 46 N GLU A 4 1.472 3.088 -3.428 1.00 0.00 N ATOM 47 CA GLU A 4 0.086 3.522 -3.556 1.00 0.00 C ATOM 48 C GLU A 4 -0.148 4.840 -2.830 1.00 0.00 C ATOM 49 O GLU A 4 -0.801 5.742 -3.355 1.00 0.00 O ATOM 50 CB GLU A 4 -0.860 2.451 -3.007 1.00 0.00 C ATOM 51 CG GLU A 4 -0.970 1.205 -3.874 1.00 0.00 C ATOM 52 CD GLU A 4 -1.739 0.097 -3.210 1.00 0.00 C ATOM 53 OE1 GLU A 4 -1.717 0.022 -2.005 1.00 0.00 O ATOM 54 OE2 GLU A 4 -2.351 -0.676 -3.910 1.00 0.00 O ATOM 55 H GLU A 4 1.677 2.233 -2.931 1.00 0.00 H ATOM 56 HA GLU A 4 -0.138 3.661 -4.614 1.00 0.00 H ATOM 57 1HB GLU A 4 -0.524 2.142 -2.017 1.00 0.00 H ATOM 58 2HB GLU A 4 -1.860 2.871 -2.896 1.00 0.00 H ATOM 59 1HG GLU A 4 -1.466 1.468 -4.808 1.00 0.00 H ATOM 60 2HG GLU A 4 0.032 0.852 -4.113 1.00 0.00 H ATOM 61 N ALA A 5 0.389 4.946 -1.619 1.00 0.00 N ATOM 62 CA ALA A 5 0.301 6.180 -0.847 1.00 0.00 C ATOM 63 C ALA A 5 0.985 7.333 -1.571 1.00 0.00 C ATOM 64 O ALA A 5 0.487 8.459 -1.576 1.00 0.00 O ATOM 65 CB ALA A 5 0.911 5.986 0.533 1.00 0.00 C ATOM 66 H ALA A 5 0.871 4.152 -1.223 1.00 0.00 H ATOM 67 HA ALA A 5 -0.752 6.429 -0.711 1.00 0.00 H ATOM 68 1HB ALA A 5 0.837 6.916 1.098 1.00 0.00 H ATOM 69 2HB ALA A 5 0.373 5.198 1.061 1.00 0.00 H ATOM 70 3HB ALA A 5 1.958 5.706 0.432 1.00 0.00 H ATOM 71 N ARG A 6 2.129 7.045 -2.182 1.00 0.00 N ATOM 72 CA ARG A 6 2.838 8.034 -2.985 1.00 0.00 C ATOM 73 C ARG A 6 1.965 8.550 -4.122 1.00 0.00 C ATOM 74 O ARG A 6 1.895 9.754 -4.366 1.00 0.00 O ATOM 75 CB ARG A 6 4.115 7.440 -3.561 1.00 0.00 C ATOM 76 CG ARG A 6 4.922 8.385 -4.437 1.00 0.00 C ATOM 77 CD ARG A 6 6.075 7.696 -5.072 1.00 0.00 C ATOM 78 NE ARG A 6 5.663 6.502 -5.793 1.00 0.00 N ATOM 79 CZ ARG A 6 4.943 6.505 -6.931 1.00 0.00 C ATOM 80 NH1 ARG A 6 4.564 7.645 -7.465 1.00 0.00 N ATOM 81 NH2 ARG A 6 4.619 5.363 -7.511 1.00 0.00 N ATOM 82 H ARG A 6 2.518 6.118 -2.087 1.00 0.00 H ATOM 83 HA ARG A 6 3.108 8.873 -2.343 1.00 0.00 H ATOM 84 1HB ARG A 6 4.762 7.111 -2.749 1.00 0.00 H ATOM 85 2HB ARG A 6 3.871 6.563 -4.160 1.00 0.00 H ATOM 86 1HG ARG A 6 4.284 8.784 -5.226 1.00 0.00 H ATOM 87 2HG ARG A 6 5.305 9.206 -3.830 1.00 0.00 H ATOM 88 1HD ARG A 6 6.558 8.370 -5.778 1.00 0.00 H ATOM 89 2HD ARG A 6 6.790 7.401 -4.305 1.00 0.00 H ATOM 90 HE ARG A 6 5.937 5.605 -5.412 1.00 0.00 H ATOM 91 1HH1 ARG A 6 4.812 8.518 -7.022 1.00 0.00 H ATOM 92 2HH1 ARG A 6 4.024 7.648 -8.319 1.00 0.00 H ATOM 93 1HH2 ARG A 6 4.910 4.487 -7.101 1.00 0.00 H ATOM 94 2HH2 ARG A 6 4.079 5.366 -8.364 1.00 0.00 H ATOM 95 N GLU A 7 1.300 7.631 -4.814 1.00 0.00 N ATOM 96 CA GLU A 7 0.413 7.993 -5.913 1.00 0.00 C ATOM 97 C GLU A 7 -0.787 8.787 -5.415 1.00 0.00 C ATOM 98 O GLU A 7 -1.247 9.717 -6.077 1.00 0.00 O ATOM 99 CB GLU A 7 -0.062 6.738 -6.650 1.00 0.00 C ATOM 100 CG GLU A 7 1.000 6.077 -7.516 1.00 0.00 C ATOM 101 CD GLU A 7 1.428 6.935 -8.674 1.00 0.00 C ATOM 102 OE1 GLU A 7 0.644 7.741 -9.114 1.00 0.00 O ATOM 103 OE2 GLU A 7 2.542 6.785 -9.119 1.00 0.00 O ATOM 104 H GLU A 7 1.411 6.657 -4.571 1.00 0.00 H ATOM 105 HA GLU A 7 0.972 8.609 -6.619 1.00 0.00 H ATOM 106 1HB GLU A 7 -0.410 6.001 -5.926 1.00 0.00 H ATOM 107 2HB GLU A 7 -0.907 6.991 -7.291 1.00 0.00 H ATOM 108 1HG GLU A 7 1.871 5.857 -6.900 1.00 0.00 H ATOM 109 2HG GLU A 7 0.609 5.133 -7.895 1.00 0.00 H ATOM 110 N LYS A 8 -1.292 8.414 -4.244 1.00 0.00 N ATOM 111 CA LYS A 8 -2.398 9.132 -3.623 1.00 0.00 C ATOM 112 C LYS A 8 -2.002 10.562 -3.278 1.00 0.00 C ATOM 113 O LYS A 8 -2.785 11.495 -3.462 1.00 0.00 O ATOM 114 CB LYS A 8 -2.873 8.401 -2.366 1.00 0.00 C ATOM 115 CG LYS A 8 -3.627 7.106 -2.639 1.00 0.00 C ATOM 116 CD LYS A 8 -4.018 6.410 -1.343 1.00 0.00 C ATOM 117 CE LYS A 8 -4.765 5.113 -1.614 1.00 0.00 C ATOM 118 NZ LYS A 8 -5.152 4.420 -0.355 1.00 0.00 N ATOM 119 H LYS A 8 -0.899 7.612 -3.772 1.00 0.00 H ATOM 120 HA LYS A 8 -3.231 9.160 -4.326 1.00 0.00 H ATOM 121 1HB LYS A 8 -2.015 8.163 -1.737 1.00 0.00 H ATOM 122 2HB LYS A 8 -3.529 9.055 -1.791 1.00 0.00 H ATOM 123 1HG LYS A 8 -4.529 7.323 -3.212 1.00 0.00 H ATOM 124 2HG LYS A 8 -2.998 6.436 -3.225 1.00 0.00 H ATOM 125 1HD LYS A 8 -3.121 6.189 -0.763 1.00 0.00 H ATOM 126 2HD LYS A 8 -4.656 7.070 -0.755 1.00 0.00 H ATOM 127 1HE LYS A 8 -5.665 5.325 -2.190 1.00 0.00 H ATOM 128 2HE LYS A 8 -4.134 4.446 -2.201 1.00 0.00 H ATOM 129 1HZ LYS A 8 -5.644 3.566 -0.578 1.00 0.00 H ATOM 130 2HZ LYS A 8 -4.322 4.202 0.178 1.00 0.00 H ATOM 131 3HZ LYS A 8 -5.753 5.022 0.189 1.00 0.00 H ATOM 132 N ALA A 9 -0.783 10.729 -2.777 1.00 0.00 N ATOM 133 CA ALA A 9 -0.254 12.053 -2.473 1.00 0.00 C ATOM 134 C ALA A 9 -0.134 12.901 -3.732 1.00 0.00 C ATOM 135 O ALA A 9 -0.488 14.080 -3.734 1.00 0.00 O ATOM 136 CB ALA A 9 1.097 11.938 -1.781 1.00 0.00 C ATOM 137 H ALA A 9 -0.207 9.917 -2.603 1.00 0.00 H ATOM 138 HA ALA A 9 -0.938 12.548 -1.782 1.00 0.00 H ATOM 139 1HB ALA A 9 1.478 12.935 -1.560 1.00 0.00 H ATOM 140 2HB ALA A 9 0.983 11.378 -0.852 1.00 0.00 H ATOM 141 3HB ALA A 9 1.796 11.418 -2.434 1.00 0.00 H ATOM 142 N ARG A 10 0.368 12.295 -4.802 1.00 0.00 N ATOM 143 CA ARG A 10 0.473 12.972 -6.089 1.00 0.00 C ATOM 144 C ARG A 10 -0.892 13.442 -6.577 1.00 0.00 C ATOM 145 O ARG A 10 -1.044 14.577 -7.028 1.00 0.00 O ATOM 146 CB ARG A 10 1.091 12.052 -7.130 1.00 0.00 C ATOM 147 CG ARG A 10 1.296 12.681 -8.499 1.00 0.00 C ATOM 148 CD ARG A 10 1.855 11.708 -9.473 1.00 0.00 C ATOM 149 NE ARG A 10 0.944 10.602 -9.718 1.00 0.00 N ATOM 150 CZ ARG A 10 -0.171 10.681 -10.471 1.00 0.00 C ATOM 151 NH1 ARG A 10 -0.498 11.817 -11.044 1.00 0.00 N ATOM 152 NH2 ARG A 10 -0.936 9.615 -10.633 1.00 0.00 N ATOM 153 H ARG A 10 0.686 11.339 -4.722 1.00 0.00 H ATOM 154 HA ARG A 10 1.120 13.842 -5.970 1.00 0.00 H ATOM 155 1HB ARG A 10 2.062 11.705 -6.779 1.00 0.00 H ATOM 156 2HB ARG A 10 0.458 11.174 -7.262 1.00 0.00 H ATOM 157 1HG ARG A 10 0.340 13.038 -8.882 1.00 0.00 H ATOM 158 2HG ARG A 10 1.989 13.519 -8.415 1.00 0.00 H ATOM 159 1HD ARG A 10 2.043 12.210 -10.421 1.00 0.00 H ATOM 160 2HD ARG A 10 2.788 11.302 -9.086 1.00 0.00 H ATOM 161 HE ARG A 10 1.162 9.710 -9.293 1.00 0.00 H ATOM 162 1HH1 ARG A 10 0.087 12.632 -10.920 1.00 0.00 H ATOM 163 2HH1 ARG A 10 -1.333 11.877 -11.608 1.00 0.00 H ATOM 164 1HH2 ARG A 10 -0.684 8.741 -10.192 1.00 0.00 H ATOM 165 2HH2 ARG A 10 -1.770 9.674 -11.197 1.00 0.00 H ATOM 166 N GLU A 11 -1.883 12.561 -6.483 1.00 0.00 N ATOM 167 CA GLU A 11 -3.252 12.908 -6.844 1.00 0.00 C ATOM 168 C GLU A 11 -3.736 14.125 -6.066 1.00 0.00 C ATOM 169 O GLU A 11 -4.276 15.068 -6.643 1.00 0.00 O ATOM 170 CB GLU A 11 -4.187 11.723 -6.590 1.00 0.00 C ATOM 171 CG GLU A 11 -5.647 11.992 -6.925 1.00 0.00 C ATOM 172 CD GLU A 11 -6.538 10.813 -6.646 1.00 0.00 C ATOM 173 OE1 GLU A 11 -6.025 9.769 -6.319 1.00 0.00 O ATOM 174 OE2 GLU A 11 -7.732 10.955 -6.761 1.00 0.00 O ATOM 175 H GLU A 11 -1.682 11.628 -6.153 1.00 0.00 H ATOM 176 HA GLU A 11 -3.281 13.140 -7.909 1.00 0.00 H ATOM 177 1HB GLU A 11 -3.860 10.868 -7.181 1.00 0.00 H ATOM 178 2HB GLU A 11 -4.132 11.435 -5.540 1.00 0.00 H ATOM 179 1HG GLU A 11 -5.994 12.841 -6.337 1.00 0.00 H ATOM 180 2HG GLU A 11 -5.724 12.259 -7.978 1.00 0.00 H ATOM 181 N ALA A 12 -3.538 14.098 -4.752 1.00 0.00 N ATOM 182 CA ALA A 12 -3.930 15.210 -3.896 1.00 0.00 C ATOM 183 C ALA A 12 -3.250 16.503 -4.327 1.00 0.00 C ATOM 184 O ALA A 12 -3.873 17.565 -4.353 1.00 0.00 O ATOM 185 CB ALA A 12 -3.604 14.900 -2.442 1.00 0.00 C ATOM 186 H ALA A 12 -3.106 13.285 -4.337 1.00 0.00 H ATOM 187 HA ALA A 12 -5.010 15.342 -3.971 1.00 0.00 H ATOM 188 1HB ALA A 12 -3.902 15.741 -1.815 1.00 0.00 H ATOM 189 2HB ALA A 12 -4.143 14.006 -2.131 1.00 0.00 H ATOM 190 3HB ALA A 12 -2.533 14.732 -2.338 1.00 0.00 H ATOM 191 N LEU A 13 -1.968 16.408 -4.664 1.00 0.00 N ATOM 192 CA LEU A 13 -1.211 17.563 -5.131 1.00 0.00 C ATOM 193 C LEU A 13 -1.780 18.104 -6.436 1.00 0.00 C ATOM 194 O LEU A 13 -1.860 19.317 -6.634 1.00 0.00 O ATOM 195 CB LEU A 13 0.263 17.186 -5.326 1.00 0.00 C ATOM 196 CG LEU A 13 1.059 16.925 -4.041 1.00 0.00 C ATOM 197 CD1 LEU A 13 2.427 16.359 -4.397 1.00 0.00 C ATOM 198 CD2 LEU A 13 1.191 18.220 -3.254 1.00 0.00 C ATOM 199 H LEU A 13 -1.507 15.512 -4.596 1.00 0.00 H ATOM 200 HA LEU A 13 -1.270 18.345 -4.373 1.00 0.00 H ATOM 201 1HB LEU A 13 0.314 16.285 -5.936 1.00 0.00 H ATOM 202 2HB LEU A 13 0.760 17.993 -5.866 1.00 0.00 H ATOM 203 HG LEU A 13 0.538 16.183 -3.435 1.00 0.00 H ATOM 204 1HD1 LEU A 13 2.993 16.173 -3.483 1.00 0.00 H ATOM 205 2HD1 LEU A 13 2.303 15.423 -4.942 1.00 0.00 H ATOM 206 3HD1 LEU A 13 2.966 17.073 -5.018 1.00 0.00 H ATOM 207 1HD2 LEU A 13 1.756 18.035 -2.340 1.00 0.00 H ATOM 208 2HD2 LEU A 13 1.713 18.962 -3.859 1.00 0.00 H ATOM 209 3HD2 LEU A 13 0.200 18.593 -2.998 1.00 0.00 H ATOM 210 N ASP A 14 -2.174 17.198 -7.325 1.00 0.00 N ATOM 211 CA ASP A 14 -2.786 17.583 -8.591 1.00 0.00 C ATOM 212 C ASP A 14 -4.133 18.257 -8.370 1.00 0.00 C ATOM 213 O ASP A 14 -4.572 19.072 -9.183 1.00 0.00 O ATOM 214 CB ASP A 14 -2.962 16.360 -9.495 1.00 0.00 C ATOM 215 CG ASP A 14 -1.645 15.846 -10.060 1.00 0.00 C ATOM 216 OD1 ASP A 14 -0.673 16.561 -9.994 1.00 0.00 O ATOM 217 OD2 ASP A 14 -1.623 14.743 -10.552 1.00 0.00 O ATOM 218 H ASP A 14 -2.048 16.218 -7.117 1.00 0.00 H ATOM 219 HA ASP A 14 -2.122 18.285 -9.096 1.00 0.00 H ATOM 220 1HB ASP A 14 -3.437 15.557 -8.931 1.00 0.00 H ATOM 221 2HB ASP A 14 -3.623 16.613 -10.324 1.00 0.00 H ATOM 222 N LYS A 15 -4.787 17.913 -7.266 1.00 0.00 N ATOM 223 CA LYS A 15 -6.072 18.509 -6.919 1.00 0.00 C ATOM 224 C LYS A 15 -5.888 19.769 -6.082 1.00 0.00 C ATOM 225 O LYS A 15 -6.859 20.430 -5.716 1.00 0.00 O ATOM 226 CB LYS A 15 -6.945 17.502 -6.168 1.00 0.00 C ATOM 227 CG LYS A 15 -7.392 16.310 -7.005 1.00 0.00 C ATOM 228 CD LYS A 15 -8.220 15.337 -6.181 1.00 0.00 C ATOM 229 CE LYS A 15 -8.722 14.178 -7.030 1.00 0.00 C ATOM 230 NZ LYS A 15 -9.462 13.173 -6.220 1.00 0.00 N ATOM 231 H LYS A 15 -4.384 17.221 -6.651 1.00 0.00 H ATOM 232 HA LYS A 15 -6.583 18.789 -7.840 1.00 0.00 H ATOM 233 1HB LYS A 15 -6.399 17.119 -5.306 1.00 0.00 H ATOM 234 2HB LYS A 15 -7.838 18.002 -5.795 1.00 0.00 H ATOM 235 1HG LYS A 15 -7.989 16.660 -7.847 1.00 0.00 H ATOM 236 2HG LYS A 15 -6.517 15.791 -7.394 1.00 0.00 H ATOM 237 1HD LYS A 15 -7.614 14.942 -5.365 1.00 0.00 H ATOM 238 2HD LYS A 15 -9.077 15.858 -5.754 1.00 0.00 H ATOM 239 1HE LYS A 15 -9.383 14.558 -7.808 1.00 0.00 H ATOM 240 2HE LYS A 15 -7.876 13.687 -7.511 1.00 0.00 H ATOM 241 1HZ LYS A 15 -9.777 12.423 -6.819 1.00 0.00 H ATOM 242 2HZ LYS A 15 -8.852 12.800 -5.506 1.00 0.00 H ATOM 243 3HZ LYS A 15 -10.260 13.613 -5.785 1.00 0.00 H ATOM 244 N GLY A 16 -4.635 20.096 -5.783 1.00 0.00 N ATOM 245 CA GLY A 16 -4.317 21.311 -5.044 1.00 0.00 C ATOM 246 C GLY A 16 -4.235 21.040 -3.547 1.00 0.00 C ATOM 247 O GLY A 16 -3.875 21.920 -2.766 1.00 0.00 O ATOM 248 H GLY A 16 -3.884 19.487 -6.076 1.00 0.00 H ATOM 249 1HA GLY A 16 -3.367 21.713 -5.397 1.00 0.00 H ATOM 250 2HA GLY A 16 -5.077 22.066 -5.239 1.00 0.00 H ATOM 251 N ASN A 17 -4.572 19.816 -3.153 1.00 0.00 N ATOM 252 CA ASN A 17 -4.658 19.462 -1.742 1.00 0.00 C ATOM 253 C ASN A 17 -3.293 19.078 -1.185 1.00 0.00 C ATOM 254 O ASN A 17 -3.050 17.917 -0.858 1.00 0.00 O ATOM 255 CB ASN A 17 -5.656 18.337 -1.533 1.00 0.00 C ATOM 256 CG ASN A 17 -7.064 18.744 -1.869 1.00 0.00 C ATOM 257 OD1 ASN A 17 -7.491 19.862 -1.558 1.00 0.00 O ATOM 258 ND2 ASN A 17 -7.793 17.858 -2.499 1.00 0.00 N ATOM 259 H ASN A 17 -4.773 19.113 -3.850 1.00 0.00 H ATOM 260 HA ASN A 17 -5.000 20.337 -1.186 1.00 0.00 H ATOM 261 1HB ASN A 17 -5.378 17.485 -2.154 1.00 0.00 H ATOM 262 2HB ASN A 17 -5.623 18.010 -0.494 1.00 0.00 H ATOM 263 1HD2 ASN A 17 -8.737 18.074 -2.748 1.00 0.00 H ATOM 264 2HD2 ASN A 17 -7.406 16.966 -2.731 1.00 0.00 H ATOM 265 N GLU A 18 -2.405 20.061 -1.080 1.00 0.00 N ATOM 266 CA GLU A 18 -1.060 19.826 -0.570 1.00 0.00 C ATOM 267 C GLU A 18 -1.098 19.278 0.851 1.00 0.00 C ATOM 268 O GLU A 18 -0.383 18.332 1.181 1.00 0.00 O ATOM 269 CB GLU A 18 -0.242 21.119 -0.606 1.00 0.00 C ATOM 270 CG GLU A 18 1.181 20.978 -0.086 1.00 0.00 C ATOM 271 CD GLU A 18 1.954 22.267 -0.138 1.00 0.00 C ATOM 272 OE1 GLU A 18 1.704 23.052 -1.021 1.00 0.00 O ATOM 273 OE2 GLU A 18 2.794 22.467 0.706 1.00 0.00 O ATOM 274 H GLU A 18 -2.669 20.995 -1.361 1.00 0.00 H ATOM 275 HA GLU A 18 -0.568 19.096 -1.213 1.00 0.00 H ATOM 276 1HB GLU A 18 -0.189 21.487 -1.631 1.00 0.00 H ATOM 277 2HB GLU A 18 -0.742 21.883 -0.010 1.00 0.00 H ATOM 278 1HG GLU A 18 1.147 20.630 0.946 1.00 0.00 H ATOM 279 2HG GLU A 18 1.700 20.225 -0.678 1.00 0.00 H ATOM 280 N ASP A 19 -1.936 19.879 1.689 1.00 0.00 N ATOM 281 CA ASP A 19 -2.056 19.464 3.082 1.00 0.00 C ATOM 282 C ASP A 19 -2.414 17.987 3.187 1.00 0.00 C ATOM 283 O ASP A 19 -1.900 17.273 4.048 1.00 0.00 O ATOM 284 CB ASP A 19 -3.112 20.304 3.803 1.00 0.00 C ATOM 285 CG ASP A 19 -2.661 21.737 4.052 1.00 0.00 C ATOM 286 OD1 ASP A 19 -1.486 21.997 3.940 1.00 0.00 O ATOM 287 OD2 ASP A 19 -3.494 22.557 4.353 1.00 0.00 O ATOM 288 H ASP A 19 -2.504 20.643 1.353 1.00 0.00 H ATOM 289 HA ASP A 19 -1.097 19.627 3.575 1.00 0.00 H ATOM 290 1HB ASP A 19 -4.027 20.325 3.211 1.00 0.00 H ATOM 291 2HB ASP A 19 -3.352 19.842 4.762 1.00 0.00 H ATOM 292 N GLU A 20 -3.300 17.534 2.306 1.00 0.00 N ATOM 293 CA GLU A 20 -3.730 16.141 2.299 1.00 0.00 C ATOM 294 C GLU A 20 -2.613 15.222 1.823 1.00 0.00 C ATOM 295 O GLU A 20 -2.430 14.125 2.351 1.00 0.00 O ATOM 296 CB GLU A 20 -4.961 15.968 1.407 1.00 0.00 C ATOM 297 CG GLU A 20 -6.222 16.635 1.939 1.00 0.00 C ATOM 298 CD GLU A 20 -6.640 16.108 3.283 1.00 0.00 C ATOM 299 OE1 GLU A 20 -6.558 14.920 3.486 1.00 0.00 O ATOM 300 OE2 GLU A 20 -7.043 16.894 4.108 1.00 0.00 O ATOM 301 H GLU A 20 -3.684 18.171 1.623 1.00 0.00 H ATOM 302 HA GLU A 20 -4.006 15.859 3.316 1.00 0.00 H ATOM 303 1HB GLU A 20 -4.756 16.380 0.419 1.00 0.00 H ATOM 304 2HB GLU A 20 -5.173 14.906 1.281 1.00 0.00 H ATOM 305 1HG GLU A 20 -6.046 17.707 2.020 1.00 0.00 H ATOM 306 2HG GLU A 20 -7.030 16.481 1.225 1.00 0.00 H ATOM 307 N ALA A 21 -1.867 15.675 0.821 1.00 0.00 N ATOM 308 CA ALA A 21 -0.719 14.927 0.321 1.00 0.00 C ATOM 309 C ALA A 21 0.312 14.701 1.419 1.00 0.00 C ATOM 310 O ALA A 21 0.875 13.613 1.541 1.00 0.00 O ATOM 311 CB ALA A 21 -0.086 15.653 -0.857 1.00 0.00 C ATOM 312 H ALA A 21 -2.101 16.560 0.395 1.00 0.00 H ATOM 313 HA ALA A 21 -1.067 13.958 -0.037 1.00 0.00 H ATOM 314 1HB ALA A 21 0.769 15.083 -1.219 1.00 0.00 H ATOM 315 2HB ALA A 21 -0.819 15.756 -1.658 1.00 0.00 H ATOM 316 3HB ALA A 21 0.245 16.641 -0.540 1.00 0.00 H ATOM 317 N ARG A 22 0.555 15.735 2.217 1.00 0.00 N ATOM 318 CA ARG A 22 1.480 15.636 3.340 1.00 0.00 C ATOM 319 C ARG A 22 0.974 14.651 4.385 1.00 0.00 C ATOM 320 O ARG A 22 1.744 13.863 4.935 1.00 0.00 O ATOM 321 CB ARG A 22 1.685 16.997 3.987 1.00 0.00 C ATOM 322 CG ARG A 22 2.447 18.002 3.137 1.00 0.00 C ATOM 323 CD ARG A 22 2.595 19.307 3.830 1.00 0.00 C ATOM 324 NE ARG A 22 3.235 20.301 2.983 1.00 0.00 N ATOM 325 CZ ARG A 22 4.567 20.448 2.848 1.00 0.00 C ATOM 326 NH1 ARG A 22 5.386 19.660 3.509 1.00 0.00 N ATOM 327 NH2 ARG A 22 5.051 21.384 2.051 1.00 0.00 N ATOM 328 H ARG A 22 0.088 16.613 2.042 1.00 0.00 H ATOM 329 HA ARG A 22 2.443 15.284 2.965 1.00 0.00 H ATOM 330 1HB ARG A 22 0.717 17.435 4.226 1.00 0.00 H ATOM 331 2HB ARG A 22 2.230 16.877 4.924 1.00 0.00 H ATOM 332 1HG ARG A 22 3.443 17.614 2.921 1.00 0.00 H ATOM 333 2HG ARG A 22 1.912 18.168 2.202 1.00 0.00 H ATOM 334 1HD ARG A 22 1.612 19.682 4.113 1.00 0.00 H ATOM 335 2HD ARG A 22 3.205 19.178 4.724 1.00 0.00 H ATOM 336 HE ARG A 22 2.637 20.926 2.459 1.00 0.00 H ATOM 337 1HH1 ARG A 22 5.016 18.944 4.118 1.00 0.00 H ATOM 338 2HH1 ARG A 22 6.384 19.770 3.408 1.00 0.00 H ATOM 339 1HH2 ARG A 22 4.422 21.991 1.543 1.00 0.00 H ATOM 340 2HH2 ARG A 22 6.049 21.494 1.950 1.00 0.00 H ATOM 341 N ARG A 23 -0.326 14.699 4.656 1.00 0.00 N ATOM 342 CA ARG A 23 -0.949 13.772 5.593 1.00 0.00 C ATOM 343 C ARG A 23 -0.819 12.332 5.112 1.00 0.00 C ATOM 344 O ARG A 23 -0.473 11.438 5.884 1.00 0.00 O ATOM 345 CB ARG A 23 -2.420 14.109 5.782 1.00 0.00 C ATOM 346 CG ARG A 23 -3.164 13.206 6.752 1.00 0.00 C ATOM 347 CD ARG A 23 -4.583 13.617 6.909 1.00 0.00 C ATOM 348 NE ARG A 23 -5.335 13.451 5.676 1.00 0.00 N ATOM 349 CZ ARG A 23 -5.806 12.274 5.220 1.00 0.00 C ATOM 350 NH1 ARG A 23 -5.594 11.172 5.904 1.00 0.00 N ATOM 351 NH2 ARG A 23 -6.480 12.227 4.084 1.00 0.00 N ATOM 352 H ARG A 23 -0.898 15.396 4.200 1.00 0.00 H ATOM 353 HA ARG A 23 -0.447 13.865 6.557 1.00 0.00 H ATOM 354 1HB ARG A 23 -2.515 15.132 6.145 1.00 0.00 H ATOM 355 2HB ARG A 23 -2.933 14.055 4.821 1.00 0.00 H ATOM 356 1HG ARG A 23 -3.144 12.180 6.383 1.00 0.00 H ATOM 357 2HG ARG A 23 -2.684 13.249 7.731 1.00 0.00 H ATOM 358 1HD ARG A 23 -5.055 13.010 7.681 1.00 0.00 H ATOM 359 2HD ARG A 23 -4.627 14.667 7.196 1.00 0.00 H ATOM 360 HE ARG A 23 -5.518 14.277 5.122 1.00 0.00 H ATOM 361 1HH1 ARG A 23 -5.078 11.207 6.772 1.00 0.00 H ATOM 362 2HH1 ARG A 23 -5.946 10.290 5.562 1.00 0.00 H ATOM 363 1HH2 ARG A 23 -6.643 13.075 3.558 1.00 0.00 H ATOM 364 2HH2 ARG A 23 -6.833 11.346 3.743 1.00 0.00 H ATOM 365 N ILE A 24 -1.099 12.114 3.831 1.00 0.00 N ATOM 366 CA ILE A 24 -1.049 10.777 3.253 1.00 0.00 C ATOM 367 C ILE A 24 0.331 10.154 3.423 1.00 0.00 C ATOM 368 O ILE A 24 0.457 9.015 3.871 1.00 0.00 O ATOM 369 CB ILE A 24 -1.416 10.811 1.758 1.00 0.00 C ATOM 370 CG1 ILE A 24 -2.899 11.146 1.580 1.00 0.00 C ATOM 371 CG2 ILE A 24 -1.085 9.481 1.099 1.00 0.00 C ATOM 372 CD1 ILE A 24 -3.274 11.524 0.165 1.00 0.00 C ATOM 373 H ILE A 24 -1.353 12.895 3.243 1.00 0.00 H ATOM 374 HA ILE A 24 -1.781 10.151 3.765 1.00 0.00 H ATOM 375 HB ILE A 24 -0.853 11.601 1.263 1.00 0.00 H ATOM 376 1HG1 ILE A 24 -3.504 10.289 1.876 1.00 0.00 H ATOM 377 2HG1 ILE A 24 -3.166 11.975 2.236 1.00 0.00 H ATOM 378 1HG2 ILE A 24 -1.351 9.522 0.043 1.00 0.00 H ATOM 379 2HG2 ILE A 24 -0.018 9.283 1.196 1.00 0.00 H ATOM 380 3HG2 ILE A 24 -1.648 8.684 1.584 1.00 0.00 H ATOM 381 1HD1 ILE A 24 -4.341 11.748 0.119 1.00 0.00 H ATOM 382 2HD1 ILE A 24 -2.706 12.403 -0.140 1.00 0.00 H ATOM 383 3HD1 ILE A 24 -3.049 10.695 -0.504 1.00 0.00 H ATOM 384 N LEU A 25 1.364 10.909 3.064 1.00 0.00 N ATOM 385 CA LEU A 25 2.734 10.418 3.139 1.00 0.00 C ATOM 386 C LEU A 25 3.172 10.226 4.585 1.00 0.00 C ATOM 387 O LEU A 25 3.891 9.279 4.906 1.00 0.00 O ATOM 388 CB LEU A 25 3.686 11.394 2.435 1.00 0.00 C ATOM 389 CG LEU A 25 3.510 11.516 0.916 1.00 0.00 C ATOM 390 CD1 LEU A 25 4.417 12.618 0.386 1.00 0.00 C ATOM 391 CD2 LEU A 25 3.829 10.182 0.259 1.00 0.00 C ATOM 392 H LEU A 25 1.195 11.847 2.730 1.00 0.00 H ATOM 393 HA LEU A 25 2.786 9.456 2.627 1.00 0.00 H ATOM 394 1HB LEU A 25 3.548 12.384 2.865 1.00 0.00 H ATOM 395 2HB LEU A 25 4.712 11.077 2.625 1.00 0.00 H ATOM 396 HG LEU A 25 2.480 11.794 0.690 1.00 0.00 H ATOM 397 1HD1 LEU A 25 4.291 12.705 -0.693 1.00 0.00 H ATOM 398 2HD1 LEU A 25 4.154 13.565 0.858 1.00 0.00 H ATOM 399 3HD1 LEU A 25 5.454 12.375 0.612 1.00 0.00 H ATOM 400 1HD2 LEU A 25 3.703 10.268 -0.821 1.00 0.00 H ATOM 401 2HD2 LEU A 25 4.859 9.903 0.482 1.00 0.00 H ATOM 402 3HD2 LEU A 25 3.155 9.416 0.642 1.00 0.00 H ATOM 403 N LYS A 26 2.736 11.130 5.455 1.00 0.00 N ATOM 404 CA LYS A 26 3.030 11.028 6.879 1.00 0.00 C ATOM 405 C LYS A 26 2.436 9.758 7.475 1.00 0.00 C ATOM 406 O LYS A 26 3.101 9.042 8.224 1.00 0.00 O ATOM 407 CB LYS A 26 2.504 12.255 7.625 1.00 0.00 C ATOM 408 CG LYS A 26 2.797 12.257 9.119 1.00 0.00 C ATOM 409 CD LYS A 26 2.304 13.537 9.777 1.00 0.00 C ATOM 410 CE LYS A 26 2.569 13.528 11.276 1.00 0.00 C ATOM 411 NZ LYS A 26 2.092 14.775 11.933 1.00 0.00 N ATOM 412 H LYS A 26 2.185 11.909 5.121 1.00 0.00 H ATOM 413 HA LYS A 26 4.113 11.001 7.008 1.00 0.00 H ATOM 414 1HB LYS A 26 2.942 13.157 7.197 1.00 0.00 H ATOM 415 2HB LYS A 26 1.423 12.324 7.496 1.00 0.00 H ATOM 416 1HG LYS A 26 2.304 11.405 9.588 1.00 0.00 H ATOM 417 2HG LYS A 26 3.870 12.166 9.280 1.00 0.00 H ATOM 418 1HD LYS A 26 2.812 14.394 9.332 1.00 0.00 H ATOM 419 2HD LYS A 26 1.232 13.644 9.608 1.00 0.00 H ATOM 420 1HE LYS A 26 2.063 12.677 11.729 1.00 0.00 H ATOM 421 2HE LYS A 26 3.639 13.424 11.456 1.00 0.00 H ATOM 422 1HZ LYS A 26 2.286 14.729 12.924 1.00 0.00 H ATOM 423 2HZ LYS A 26 2.569 15.571 11.533 1.00 0.00 H ATOM 424 3HZ LYS A 26 1.097 14.872 11.790 1.00 0.00 H ATOM 425 N GLU A 27 1.180 9.485 7.139 1.00 0.00 N ATOM 426 CA GLU A 27 0.503 8.285 7.617 1.00 0.00 C ATOM 427 C GLU A 27 1.145 7.026 7.048 1.00 0.00 C ATOM 428 O GLU A 27 1.240 6.005 7.728 1.00 0.00 O ATOM 429 CB GLU A 27 -0.981 8.326 7.245 1.00 0.00 C ATOM 430 CG GLU A 27 -1.790 9.369 8.003 1.00 0.00 C ATOM 431 CD GLU A 27 -3.218 9.451 7.539 1.00 0.00 C ATOM 432 OE1 GLU A 27 -3.590 8.684 6.684 1.00 0.00 O ATOM 433 OE2 GLU A 27 -3.938 10.282 8.042 1.00 0.00 O ATOM 434 H GLU A 27 0.682 10.124 6.536 1.00 0.00 H ATOM 435 HA GLU A 27 0.579 8.256 8.705 1.00 0.00 H ATOM 436 1HB GLU A 27 -1.083 8.532 6.180 1.00 0.00 H ATOM 437 2HB GLU A 27 -1.430 7.351 7.434 1.00 0.00 H ATOM 438 1HG GLU A 27 -1.778 9.123 9.064 1.00 0.00 H ATOM 439 2HG GLU A 27 -1.317 10.342 7.878 1.00 0.00 H ATOM 440 N ALA A 28 1.584 7.106 5.797 1.00 0.00 N ATOM 441 CA ALA A 28 2.301 6.005 5.165 1.00 0.00 C ATOM 442 C ALA A 28 3.590 5.686 5.912 1.00 0.00 C ATOM 443 O ALA A 28 3.935 4.521 6.104 1.00 0.00 O ATOM 444 CB ALA A 28 2.601 6.334 3.710 1.00 0.00 C ATOM 445 H ALA A 28 1.416 7.951 5.269 1.00 0.00 H ATOM 446 HA ALA A 28 1.666 5.120 5.203 1.00 0.00 H ATOM 447 1HB ALA A 28 3.137 5.502 3.252 1.00 0.00 H ATOM 448 2HB ALA A 28 1.667 6.502 3.175 1.00 0.00 H ATOM 449 3HB ALA A 28 3.215 7.232 3.659 1.00 0.00 H ATOM 450 N GLY A 29 4.298 6.730 6.332 1.00 0.00 N ATOM 451 CA GLY A 29 5.483 6.566 7.165 1.00 0.00 C ATOM 452 C GLY A 29 6.717 7.149 6.487 1.00 0.00 C ATOM 453 O GLY A 29 7.823 6.632 6.638 1.00 0.00 O ATOM 454 H GLY A 29 4.007 7.660 6.068 1.00 0.00 H ATOM 455 1HA GLY A 29 5.325 7.057 8.125 1.00 0.00 H ATOM 456 2HA GLY A 29 5.642 5.507 7.367 1.00 0.00 H ATOM 457 N TRP A 30 6.519 8.230 5.740 1.00 0.00 N ATOM 458 CA TRP A 30 7.621 8.907 5.065 1.00 0.00 C ATOM 459 C TRP A 30 8.149 10.066 5.900 1.00 0.00 C ATOM 460 O TRP A 30 7.387 10.746 6.588 1.00 0.00 O ATOM 461 CB TRP A 30 7.172 9.421 3.696 1.00 0.00 C ATOM 462 CG TRP A 30 6.937 8.331 2.695 1.00 0.00 C ATOM 463 CD1 TRP A 30 5.731 7.867 2.264 1.00 0.00 C ATOM 464 CD2 TRP A 30 7.939 7.560 1.989 1.00 0.00 C ATOM 465 NE1 TRP A 30 5.911 6.863 1.345 1.00 0.00 N ATOM 466 CE2 TRP A 30 7.256 6.664 1.163 1.00 0.00 C ATOM 467 CE3 TRP A 30 9.339 7.560 1.991 1.00 0.00 C ATOM 468 CZ2 TRP A 30 7.924 5.768 0.343 1.00 0.00 C ATOM 469 CZ3 TRP A 30 10.009 6.662 1.168 1.00 0.00 C ATOM 470 CH2 TRP A 30 9.318 5.790 0.365 1.00 0.00 C ATOM 471 H TRP A 30 5.582 8.592 5.636 1.00 0.00 H ATOM 472 HA TRP A 30 8.431 8.191 4.923 1.00 0.00 H ATOM 473 1HB TRP A 30 6.249 9.991 3.806 1.00 0.00 H ATOM 474 2HB TRP A 30 7.928 10.097 3.296 1.00 0.00 H ATOM 475 HD1 TRP A 30 4.764 8.237 2.601 1.00 0.00 H ATOM 476 HE1 TRP A 30 5.175 6.354 0.878 1.00 0.00 H ATOM 477 HE3 TRP A 30 9.893 8.252 2.625 1.00 0.00 H ATOM 478 HZ2 TRP A 30 7.393 5.067 -0.302 1.00 0.00 H ATOM 479 HZ3 TRP A 30 11.099 6.668 1.177 1.00 0.00 H ATOM 480 HH2 TRP A 30 9.875 5.099 -0.269 1.00 0.00 H ATOM 481 N ASP A 31 9.457 10.288 5.835 1.00 0.00 N ATOM 482 CA ASP A 31 10.085 11.386 6.559 1.00 0.00 C ATOM 483 C ASP A 31 9.699 12.733 5.960 1.00 0.00 C ATOM 484 O ASP A 31 9.427 12.835 4.764 1.00 0.00 O ATOM 485 CB ASP A 31 11.608 11.235 6.549 1.00 0.00 C ATOM 486 CG ASP A 31 12.096 10.090 7.427 1.00 0.00 C ATOM 487 OD1 ASP A 31 11.328 9.614 8.229 1.00 0.00 O ATOM 488 OD2 ASP A 31 13.231 9.702 7.287 1.00 0.00 O ATOM 489 H ASP A 31 10.032 9.679 5.270 1.00 0.00 H ATOM 490 HA ASP A 31 9.740 11.362 7.593 1.00 0.00 H ATOM 491 1HB ASP A 31 11.950 11.062 5.529 1.00 0.00 H ATOM 492 2HB ASP A 31 12.069 12.160 6.896 1.00 0.00 H ATOM 493 N PRO A 32 9.677 13.763 6.799 1.00 0.00 N ATOM 494 CA PRO A 32 9.357 15.112 6.347 1.00 0.00 C ATOM 495 C PRO A 32 10.227 15.517 5.164 1.00 0.00 C ATOM 496 O PRO A 32 9.776 16.225 4.263 1.00 0.00 O ATOM 497 CB PRO A 32 9.649 15.968 7.583 1.00 0.00 C ATOM 498 CG PRO A 32 9.397 15.051 8.731 1.00 0.00 C ATOM 499 CD PRO A 32 9.916 13.717 8.265 1.00 0.00 C ATOM 500 HA PRO A 32 8.312 15.134 6.035 1.00 0.00 H ATOM 501 1HB PRO A 32 10.686 16.335 7.550 1.00 0.00 H ATOM 502 2HB PRO A 32 8.995 16.853 7.591 1.00 0.00 H ATOM 503 1HG PRO A 32 9.914 15.417 9.630 1.00 0.00 H ATOM 504 2HG PRO A 32 8.323 15.028 8.969 1.00 0.00 H ATOM 505 1HD PRO A 32 10.988 13.638 8.501 1.00 0.00 H ATOM 506 2HD PRO A 32 9.351 12.912 8.756 1.00 0.00 H ATOM 507 N GLU A 33 11.477 15.066 5.173 1.00 0.00 N ATOM 508 CA GLU A 33 12.392 15.322 4.067 1.00 0.00 C ATOM 509 C GLU A 33 11.825 14.806 2.751 1.00 0.00 C ATOM 510 O GLU A 33 11.715 15.550 1.777 1.00 0.00 O ATOM 511 CB GLU A 33 13.751 14.672 4.338 1.00 0.00 C ATOM 512 CG GLU A 33 14.771 14.862 3.224 1.00 0.00 C ATOM 513 CD GLU A 33 16.078 14.174 3.505 1.00 0.00 C ATOM 514 OE1 GLU A 33 16.237 13.660 4.586 1.00 0.00 O ATOM 515 OE2 GLU A 33 16.919 14.163 2.637 1.00 0.00 O ATOM 516 H GLU A 33 11.801 14.531 5.966 1.00 0.00 H ATOM 517 HA GLU A 33 12.542 16.399 3.985 1.00 0.00 H ATOM 518 1HB GLU A 33 14.175 15.083 5.254 1.00 0.00 H ATOM 519 2HB GLU A 33 13.618 13.601 4.491 1.00 0.00 H ATOM 520 1HG GLU A 33 14.358 14.467 2.296 1.00 0.00 H ATOM 521 2HG GLU A 33 14.949 15.927 3.086 1.00 0.00 H ATOM 522 N TYR A 34 11.465 13.527 2.729 1.00 0.00 N ATOM 523 CA TYR A 34 10.845 12.926 1.554 1.00 0.00 C ATOM 524 C TYR A 34 9.574 13.667 1.162 1.00 0.00 C ATOM 525 O TYR A 34 9.357 13.969 -0.012 1.00 0.00 O ATOM 526 CB TYR A 34 10.541 11.447 1.807 1.00 0.00 C ATOM 527 CG TYR A 34 9.836 10.764 0.656 1.00 0.00 C ATOM 528 CD1 TYR A 34 10.571 10.081 -0.301 1.00 0.00 C ATOM 529 CD2 TYR A 34 8.453 10.821 0.558 1.00 0.00 C ATOM 530 CE1 TYR A 34 9.927 9.457 -1.352 1.00 0.00 C ATOM 531 CE2 TYR A 34 7.809 10.196 -0.492 1.00 0.00 C ATOM 532 CZ TYR A 34 8.541 9.517 -1.444 1.00 0.00 C ATOM 533 OH TYR A 34 7.899 8.895 -2.491 1.00 0.00 O ATOM 534 H TYR A 34 11.625 12.957 3.547 1.00 0.00 H ATOM 535 HA TYR A 34 11.551 12.980 0.724 1.00 0.00 H ATOM 536 1HB TYR A 34 11.472 10.912 2.001 1.00 0.00 H ATOM 537 2HB TYR A 34 9.916 11.351 2.694 1.00 0.00 H ATOM 538 HD1 TYR A 34 11.658 10.036 -0.224 1.00 0.00 H ATOM 539 HD2 TYR A 34 7.875 11.358 1.310 1.00 0.00 H ATOM 540 HE1 TYR A 34 10.505 8.920 -2.104 1.00 0.00 H ATOM 541 HE2 TYR A 34 6.722 10.242 -0.569 1.00 0.00 H ATOM 542 HH TYR A 34 8.548 8.466 -3.053 1.00 0.00 H ATOM 543 N ILE A 35 8.735 13.957 2.151 1.00 0.00 N ATOM 544 CA ILE A 35 7.444 14.587 1.901 1.00 0.00 C ATOM 545 C ILE A 35 7.610 15.913 1.169 1.00 0.00 C ATOM 546 O ILE A 35 6.938 16.170 0.171 1.00 0.00 O ATOM 547 CB ILE A 35 6.682 14.819 3.218 1.00 0.00 C ATOM 548 CG1 ILE A 35 6.274 13.482 3.842 1.00 0.00 C ATOM 549 CG2 ILE A 35 5.460 15.693 2.979 1.00 0.00 C ATOM 550 CD1 ILE A 35 5.768 13.600 5.262 1.00 0.00 C ATOM 551 H ILE A 35 8.999 13.736 3.100 1.00 0.00 H ATOM 552 HA ILE A 35 6.847 13.918 1.280 1.00 0.00 H ATOM 553 HB ILE A 35 7.336 15.315 3.934 1.00 0.00 H ATOM 554 1HG1 ILE A 35 5.493 13.022 3.238 1.00 0.00 H ATOM 555 2HG1 ILE A 35 7.129 12.805 3.841 1.00 0.00 H ATOM 556 1HG2 ILE A 35 4.933 15.847 3.920 1.00 0.00 H ATOM 557 2HG2 ILE A 35 5.775 16.656 2.578 1.00 0.00 H ATOM 558 3HG2 ILE A 35 4.796 15.203 2.267 1.00 0.00 H ATOM 559 1HD1 ILE A 35 5.500 12.611 5.635 1.00 0.00 H ATOM 560 2HD1 ILE A 35 6.549 14.026 5.892 1.00 0.00 H ATOM 561 3HD1 ILE A 35 4.892 14.245 5.283 1.00 0.00 H ATOM 562 N GLU A 36 8.511 16.751 1.671 1.00 0.00 N ATOM 563 CA GLU A 36 8.738 18.069 1.090 1.00 0.00 C ATOM 564 C GLU A 36 9.353 17.960 -0.299 1.00 0.00 C ATOM 565 O GLU A 36 8.896 18.606 -1.242 1.00 0.00 O ATOM 566 CB GLU A 36 9.647 18.902 1.997 1.00 0.00 C ATOM 567 CG GLU A 36 9.945 20.300 1.475 1.00 0.00 C ATOM 568 CD GLU A 36 8.724 21.175 1.417 1.00 0.00 C ATOM 569 OE1 GLU A 36 7.794 20.914 2.142 1.00 0.00 O ATOM 570 OE2 GLU A 36 8.722 22.107 0.647 1.00 0.00 O ATOM 571 H GLU A 36 9.052 16.468 2.476 1.00 0.00 H ATOM 572 HA GLU A 36 7.779 18.581 1.009 1.00 0.00 H ATOM 573 1HB GLU A 36 9.187 19.003 2.980 1.00 0.00 H ATOM 574 2HB GLU A 36 10.598 18.386 2.132 1.00 0.00 H ATOM 575 1HG GLU A 36 10.684 20.769 2.124 1.00 0.00 H ATOM 576 2HG GLU A 36 10.376 20.220 0.478 1.00 0.00 H ATOM 577 N LYS A 37 10.391 17.139 -0.419 1.00 0.00 N ATOM 578 CA LYS A 37 11.100 16.980 -1.683 1.00 0.00 C ATOM 579 C LYS A 37 10.196 16.372 -2.748 1.00 0.00 C ATOM 580 O LYS A 37 10.212 16.796 -3.904 1.00 0.00 O ATOM 581 CB LYS A 37 12.345 16.113 -1.493 1.00 0.00 C ATOM 582 CG LYS A 37 13.474 16.793 -0.729 1.00 0.00 C ATOM 583 CD LYS A 37 14.664 15.860 -0.556 1.00 0.00 C ATOM 584 CE LYS A 37 15.838 16.575 0.095 1.00 0.00 C ATOM 585 NZ LYS A 37 16.992 15.662 0.317 1.00 0.00 N ATOM 586 H LYS A 37 10.697 16.612 0.387 1.00 0.00 H ATOM 587 HA LYS A 37 11.428 17.963 -2.022 1.00 0.00 H ATOM 588 1HB LYS A 37 12.077 15.204 -0.954 1.00 0.00 H ATOM 589 2HB LYS A 37 12.733 15.814 -2.467 1.00 0.00 H ATOM 590 1HG LYS A 37 13.797 17.682 -1.272 1.00 0.00 H ATOM 591 2HG LYS A 37 13.116 17.098 0.254 1.00 0.00 H ATOM 592 1HD LYS A 37 14.374 15.013 0.068 1.00 0.00 H ATOM 593 2HD LYS A 37 14.975 15.483 -1.530 1.00 0.00 H ATOM 594 1HE LYS A 37 16.160 17.399 -0.541 1.00 0.00 H ATOM 595 2HE LYS A 37 15.527 16.987 1.055 1.00 0.00 H ATOM 596 1HZ LYS A 37 17.748 16.173 0.750 1.00 0.00 H ATOM 597 2HZ LYS A 37 16.710 14.903 0.922 1.00 0.00 H ATOM 598 3HZ LYS A 37 17.302 15.289 -0.568 1.00 0.00 H ATOM 599 N PHE A 38 9.409 15.378 -2.352 1.00 0.00 N ATOM 600 CA PHE A 38 8.445 14.759 -3.254 1.00 0.00 C ATOM 601 C PHE A 38 7.482 15.792 -3.825 1.00 0.00 C ATOM 602 O PHE A 38 7.282 15.864 -5.038 1.00 0.00 O ATOM 603 CB PHE A 38 7.656 13.668 -2.526 1.00 0.00 C ATOM 604 CG PHE A 38 6.510 13.114 -3.323 1.00 0.00 C ATOM 605 CD1 PHE A 38 6.731 12.185 -4.329 1.00 0.00 C ATOM 606 CD2 PHE A 38 5.209 13.522 -3.070 1.00 0.00 C ATOM 607 CE1 PHE A 38 5.677 11.675 -5.063 1.00 0.00 C ATOM 608 CE2 PHE A 38 4.154 13.013 -3.801 1.00 0.00 C ATOM 609 CZ PHE A 38 4.389 12.088 -4.800 1.00 0.00 C ATOM 610 H PHE A 38 9.480 15.042 -1.402 1.00 0.00 H ATOM 611 HA PHE A 38 8.989 14.295 -4.077 1.00 0.00 H ATOM 612 1HB PHE A 38 8.323 12.845 -2.272 1.00 0.00 H ATOM 613 2HB PHE A 38 7.260 14.067 -1.593 1.00 0.00 H ATOM 614 HD1 PHE A 38 7.750 11.858 -4.537 1.00 0.00 H ATOM 615 HD2 PHE A 38 5.024 14.252 -2.282 1.00 0.00 H ATOM 616 HE1 PHE A 38 5.865 10.946 -5.851 1.00 0.00 H ATOM 617 HE2 PHE A 38 3.136 13.341 -3.592 1.00 0.00 H ATOM 618 HZ PHE A 38 3.558 11.688 -5.378 1.00 0.00 H ATOM 619 N ILE A 39 6.889 16.591 -2.945 1.00 0.00 N ATOM 620 CA ILE A 39 5.936 17.613 -3.360 1.00 0.00 C ATOM 621 C ILE A 39 6.572 18.596 -4.334 1.00 0.00 C ATOM 622 O ILE A 39 5.954 18.992 -5.323 1.00 0.00 O ATOM 623 CB ILE A 39 5.387 18.379 -2.142 1.00 0.00 C ATOM 624 CG1 ILE A 39 4.490 17.469 -1.299 1.00 0.00 C ATOM 625 CG2 ILE A 39 4.625 19.616 -2.590 1.00 0.00 C ATOM 626 CD1 ILE A 39 4.132 18.046 0.052 1.00 0.00 C ATOM 627 H ILE A 39 7.103 16.487 -1.964 1.00 0.00 H ATOM 628 HA ILE A 39 5.096 17.124 -3.855 1.00 0.00 H ATOM 629 HB ILE A 39 6.215 18.686 -1.502 1.00 0.00 H ATOM 630 1HG1 ILE A 39 3.566 17.268 -1.839 1.00 0.00 H ATOM 631 2HG1 ILE A 39 4.989 16.513 -1.139 1.00 0.00 H ATOM 632 1HG2 ILE A 39 4.244 20.145 -1.717 1.00 0.00 H ATOM 633 2HG2 ILE A 39 5.292 20.272 -3.149 1.00 0.00 H ATOM 634 3HG2 ILE A 39 3.791 19.319 -3.227 1.00 0.00 H ATOM 635 1HD1 ILE A 39 3.496 17.344 0.591 1.00 0.00 H ATOM 636 2HD1 ILE A 39 5.043 18.222 0.625 1.00 0.00 H ATOM 637 3HD1 ILE A 39 3.601 18.987 -0.083 1.00 0.00 H ATOM 638 N ARG A 40 7.809 18.987 -4.049 1.00 0.00 N ATOM 639 CA ARG A 40 8.535 19.918 -4.905 1.00 0.00 C ATOM 640 C ARG A 40 8.788 19.318 -6.282 1.00 0.00 C ATOM 641 O ARG A 40 8.750 20.020 -7.292 1.00 0.00 O ATOM 642 CB ARG A 40 9.864 20.303 -4.272 1.00 0.00 C ATOM 643 CG ARG A 40 9.753 21.192 -3.043 1.00 0.00 C ATOM 644 CD ARG A 40 11.086 21.501 -2.466 1.00 0.00 C ATOM 645 NE ARG A 40 10.981 22.280 -1.243 1.00 0.00 N ATOM 646 CZ ARG A 40 12.020 22.867 -0.618 1.00 0.00 C ATOM 647 NH1 ARG A 40 13.233 22.754 -1.112 1.00 0.00 N ATOM 648 NH2 ARG A 40 11.820 23.556 0.492 1.00 0.00 N ATOM 649 H ARG A 40 8.259 18.630 -3.218 1.00 0.00 H ATOM 650 HA ARG A 40 7.934 20.821 -5.022 1.00 0.00 H ATOM 651 1HB ARG A 40 10.402 19.403 -3.979 1.00 0.00 H ATOM 652 2HB ARG A 40 10.477 20.828 -5.004 1.00 0.00 H ATOM 653 1HG ARG A 40 9.271 22.131 -3.315 1.00 0.00 H ATOM 654 2HG ARG A 40 9.158 20.687 -2.281 1.00 0.00 H ATOM 655 1HD ARG A 40 11.606 20.572 -2.235 1.00 0.00 H ATOM 656 2HD ARG A 40 11.670 22.073 -3.186 1.00 0.00 H ATOM 657 HE ARG A 40 10.063 22.389 -0.833 1.00 0.00 H ATOM 658 1HH1 ARG A 40 13.386 22.228 -1.960 1.00 0.00 H ATOM 659 2HH1 ARG A 40 14.012 23.194 -0.644 1.00 0.00 H ATOM 660 1HH2 ARG A 40 10.887 23.643 0.872 1.00 0.00 H ATOM 661 2HH2 ARG A 40 12.598 23.996 0.960 1.00 0.00 H ATOM 662 N LYS A 41 9.045 18.014 -6.316 1.00 0.00 N ATOM 663 CA LYS A 41 9.263 17.309 -7.573 1.00 0.00 C ATOM 664 C LYS A 41 7.986 17.253 -8.402 1.00 0.00 C ATOM 665 O LYS A 41 8.025 17.370 -9.627 1.00 0.00 O ATOM 666 CB LYS A 41 9.782 15.894 -7.309 1.00 0.00 C ATOM 667 CG LYS A 41 11.219 15.834 -6.811 1.00 0.00 C ATOM 668 CD LYS A 41 11.644 14.402 -6.520 1.00 0.00 C ATOM 669 CE LYS A 41 13.077 14.342 -6.011 1.00 0.00 C ATOM 670 NZ LYS A 41 13.504 12.947 -5.717 1.00 0.00 N ATOM 671 H LYS A 41 9.090 17.499 -5.448 1.00 0.00 H ATOM 672 HA LYS A 41 10.026 17.842 -8.141 1.00 0.00 H ATOM 673 1HB LYS A 41 9.149 15.407 -6.567 1.00 0.00 H ATOM 674 2HB LYS A 41 9.721 15.308 -8.227 1.00 0.00 H ATOM 675 1HG LYS A 41 11.885 16.255 -7.566 1.00 0.00 H ATOM 676 2HG LYS A 41 11.313 16.424 -5.900 1.00 0.00 H ATOM 677 1HD LYS A 41 10.981 13.971 -5.768 1.00 0.00 H ATOM 678 2HD LYS A 41 11.567 13.808 -7.430 1.00 0.00 H ATOM 679 1HE LYS A 41 13.746 14.764 -6.758 1.00 0.00 H ATOM 680 2HE LYS A 41 13.164 14.934 -5.100 1.00 0.00 H ATOM 681 1HZ LYS A 41 14.457 12.950 -5.382 1.00 0.00 H ATOM 682 2HZ LYS A 41 12.900 12.551 -5.010 1.00 0.00 H ATOM 683 3HZ LYS A 41 13.445 12.392 -6.558 1.00 0.00 H ATOM 684 N VAL A 42 6.856 17.072 -7.727 1.00 0.00 N ATOM 685 CA VAL A 42 5.562 17.030 -8.398 1.00 0.00 C ATOM 686 C VAL A 42 5.184 18.397 -8.953 1.00 0.00 C ATOM 687 O VAL A 42 4.712 18.509 -10.084 1.00 0.00 O ATOM 688 CB VAL A 42 4.469 16.556 -7.421 1.00 0.00 C ATOM 689 CG1 VAL A 42 3.092 16.710 -8.047 1.00 0.00 C ATOM 690 CG2 VAL A 42 4.722 15.110 -7.023 1.00 0.00 C ATOM 691 H VAL A 42 6.894 16.962 -6.724 1.00 0.00 H ATOM 692 HA VAL A 42 5.624 16.321 -9.224 1.00 0.00 H ATOM 693 HB VAL A 42 4.491 17.187 -6.532 1.00 0.00 H ATOM 694 1HG1 VAL A 42 2.331 16.371 -7.343 1.00 0.00 H ATOM 695 2HG1 VAL A 42 2.918 17.758 -8.291 1.00 0.00 H ATOM 696 3HG1 VAL A 42 3.036 16.112 -8.956 1.00 0.00 H ATOM 697 1HG2 VAL A 42 3.946 14.782 -6.332 1.00 0.00 H ATOM 698 2HG2 VAL A 42 4.706 14.480 -7.913 1.00 0.00 H ATOM 699 3HG2 VAL A 42 5.696 15.030 -6.539 1.00 0.00 H ATOM 700 N LYS A 43 5.395 19.435 -8.151 1.00 0.00 N ATOM 701 CA LYS A 43 5.114 20.801 -8.575 1.00 0.00 C ATOM 702 C LYS A 43 6.020 21.217 -9.727 1.00 0.00 C ATOM 703 O LYS A 43 7.152 20.747 -9.841 1.00 0.00 O ATOM 704 OXT LYS A 43 5.632 22.012 -10.538 1.00 0.00 O ATOM 705 CB LYS A 43 5.275 21.770 -7.403 1.00 0.00 C ATOM 706 CG LYS A 43 4.196 21.651 -6.336 1.00 0.00 C ATOM 707 CD LYS A 43 4.389 22.686 -5.237 1.00 0.00 C ATOM 708 CE LYS A 43 3.265 22.624 -4.213 1.00 0.00 C ATOM 709 NZ LYS A 43 3.464 23.599 -3.108 1.00 0.00 N ATOM 710 H LYS A 43 5.759 19.273 -7.223 1.00 0.00 H ATOM 711 HA LYS A 43 4.083 20.849 -8.928 1.00 0.00 H ATOM 712 1HB LYS A 43 6.240 21.603 -6.923 1.00 0.00 H ATOM 713 2HB LYS A 43 5.267 22.795 -7.775 1.00 0.00 H ATOM 714 1HG LYS A 43 3.215 21.797 -6.792 1.00 0.00 H ATOM 715 2HG LYS A 43 4.228 20.656 -5.895 1.00 0.00 H ATOM 716 1HD LYS A 43 5.339 22.508 -4.732 1.00 0.00 H ATOM 717 2HD LYS A 43 4.412 23.683 -5.676 1.00 0.00 H ATOM 718 1HE LYS A 43 2.315 22.837 -4.703 1.00 0.00 H ATOM 719 2HE LYS A 43 3.213 21.621 -3.790 1.00 0.00 H ATOM 720 1HZ LYS A 43 2.700 23.527 -2.451 1.00 0.00 H ATOM 721 2HZ LYS A 43 4.334 23.399 -2.634 1.00 0.00 H ATOM 722 3HZ LYS A 43 3.495 24.536 -3.485 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE nods_bigger.blueprint.34_try68_pass_20150521064935_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 rama omega fa_dun p_aa_pp ref total weights 0.8 0.44 0.75 0.004 0.7 1 1.17 1.17 1.17 1.1 1 0.2 0.5 0.56 0.32 1 NA pose -176.905 15.9405 103.366 0.34343 -26.8948 0.01306 -25.1593 -1.03228 -1.0918 -7.01764 0 -5.29259 1.63528 47.275 -6.10375 -13.2945 -94.2183 SER:NtermProteinFull_1 -2.52927 0.17057 2.53599 0.00178 -1.13615 0 0 0 -0.24687 0 0 0 0.00914 0.11374 0 0.17658 -0.90448 GLN_2 -3.61257 0.12493 2.58028 0.00501 -0.27461 0 0 0 -0.29903 0 0 -0.20464 0.00453 2.06335 -0.13247 -1.17797 -0.92318 GLU_3 -3.53878 0.22881 2.90257 0.00558 -0.9935 0 0 0 0 -0.36598 0 -0.23339 0.12369 2.35851 -0.17049 -1.55374 -1.23672 GLU_4 -3.81649 0.38006 3.0703 0.00419 -1.02448 0 0 0 -0.24687 0 0 -0.19822 0.05602 2.40261 -0.1128 -1.55374 -1.03942 ALA_5 -3.73606 0.28338 1.80206 0.00074 -0.1739 0 0 0 0 0 0 -0.18232 0.08728 0 -0.19145 0.59294 -1.51732 ARG_6 -6.33444 0.48847 4.69515 0.02129 -2.00942 0 0 0 0 -0.76302 0 -0.11117 0.00511 1.96239 -0.0978 -0.14916 -2.29261 GLU_7 -4.98822 0.27748 4.05865 0.00575 -1.98172 0 0 0 0 -0.79361 0 -0.25241 0.04791 2.64818 -0.1368 -1.55374 -2.66853 LYS_8 -4.02755 0.32548 2.01189 0.00307 -0.24571 0 0 0 0 0 0 -0.20917 0.05721 0.82154 -0.04595 -0.28737 -1.59657 ALA_9 -4.72933 0.34695 1.86325 0.00073 -0.24492 0 0 0 0 0 0 -0.13448 0.05086 0 -0.16204 0.59294 -2.41604 ARG_10 -5.31284 0.33807 3.79863 0.01524 -1.31843 0 0 0 0 -0.39657 0 -0.10882 0.06162 1.45384 -0.09591 -0.14916 -1.71433 GLU_11 -4.14617 0.37563 3.01511 0.00756 -0.82102 0 0 0 0 0 0 -0.08968 0.00756 2.12754 -0.1005 -1.55374 -1.17773 ALA_12 -4.69838 0.3328 2.24467 0.00074 -0.36629 0 0 0 0 0 0 -0.14953 0.01582 0 -0.18265 0.59294 -2.20987 LEU_13 -5.32791 0.85428 1.64048 0.00667 -0.13979 0 0 0 0 0 0 -0.11319 0.03149 0.25162 -0.12214 0.60233 -2.31617 ASP_14 -2.90373 0.26167 2.34822 0.00343 -0.36123 0 0 0 0 0 0 -0.18461 0.01168 1.31847 -0.0167 -1.28682 -0.80961 LYS_15 -3.19148 0.44277 2.22283 0.00351 -0.54454 0 0 0 0 0 0 -0.21065 0.04494 0.70334 -0.03828 -0.28737 -0.85493 GLY_16 -1.64122 0.38996 1.0926 0 -0.26435 0 0 0 0 0 0 -0.38584 0.16996 0 -0.80427 0.14053 -1.30264 ASN_17 -3.86576 0.44143 2.31376 0.00464 -0.25901 0 0 0 0 0 0 -0.04132 0.00073 1.80754 -0.29832 -0.94198 -0.83831 GLU_18 -4.18839 0.48072 3.24742 0.00678 -2.01248 0 0 0 0 -0.68802 0 -0.17736 0.00351 2.55827 -0.10059 -1.55374 -2.42389 ASP_19 -2.3277 0.17669 1.54467 0.00338 -0.22318 0 0 0 0 0 0 -0.07926 3e-05 1.26766 0.03404 -1.28682 -0.89049 GLU_20 -4.26812 0.52984 2.90758 0.00551 -1.0987 0 0 0 0 -0.36889 0 -0.21883 0.06106 2.42919 -0.15989 -1.55374 -1.735 ALA_21 -4.46035 0.31151 1.83411 0.00074 -0.13962 0 0 0 0 0 0 -0.15472 0.03039 0 -0.1826 0.59294 -2.16759 ARG_22 -5.6575 0.38609 4.00708 0.00957 -2.06865 0 0 0 0 -1.10533 0 -0.19536 0.03726 1.63833 -0.0849 -0.14916 -3.18256 ARG_23 -5.10972 0.4076 4.24885 0.01429 -1.96725 0 0 0 0 -0.61502 0 -0.13815 0.01421 1.47521 -0.07459 -0.14916 -1.89372 ILE_24 -5.2118 0.39696 2.25739 0.02047 -0.34044 0 0 0 0 0 0 0.05334 0.01701 0.11992 -0.06872 0.8318 -1.92407 LEU_25 -6.24805 0.58266 1.86213 0.00708 -0.40851 0 0 0 0 0 0 -0.12738 0.04246 0.19465 -0.1253 0.60233 -3.61793 LYS_26 -2.95779 0.20798 1.65296 0.00536 -0.05686 0 0 0 0 0 0 -0.15332 0.00935 0.88382 -0.03873 -0.28737 -0.73461 GLU_27 -3.10775 0.29783 2.42109 0.00455 -0.82601 0 0 0 0 -0.24613 0 -0.25796 0.09467 2.15075 -0.14045 -1.55374 -1.16316 ALA_28 -2.86166 0.25246 1.64362 0.00074 -0.20534 0 0 0 -0.29903 0 0 -0.16777 0.16869 0 -0.18573 0.59294 -1.06107 GLY_29 -1.59866 0.10948 1.02548 4e-05 0.05379 0 0 0 0 0 0 0.34815 0.01335 0 -1.09491 0.14053 -1.00275 TRP_30 -6.55158 0.30537 2.53487 0.02117 0.12407 0 0 0 0 0 0 -0.17169 0.01186 1.18965 -0.15633 0.92933 -1.76327 ASP_31 -2.55 0.50634 1.60169 0.00331 -0.17612 3e-05 0 0 0 0 0 -0.20957 0.01237 1.45641 0.04631 -1.28682 -0.59605 PRO_32 -2.26127 0.34866 1.06442 0.00094 -0.12079 0.01303 0 0 0 0 0 -0.00146 0.05343 0.08875 -0.38066 -0.21929 -1.41425 GLU_33 -2.97913 0.55657 2.0545 0.00777 -0.85024 0 0 0 0 -0.20011 0 -0.01864 0.05092 2.08629 -0.11366 -1.55374 -0.95947 TYR_34 -6.58823 0.52882 2.337 0.03074 -0.12452 0 0 0 0 0 0 -0.02014 0.07994 1.54381 -0.01237 0.1317 -2.09326 ILE_35 -5.93708 0.59372 2.13285 0.0201 -0.1785 0 0 0 0 0 0 0.05482 0.01837 0.07643 -0.06047 0.8318 -2.44794 GLU_36 -4.73019 0.28418 3.68096 0.00895 -2.03493 0 0 0 0 -0.84608 0 -0.14538 0.02425 2.46152 -0.10585 -1.55374 -2.95632 LYS_37 -4.09837 0.32335 2.66996 0.00309 -1.0118 0 0 0 0 -0.20011 0 -0.20001 0.05751 0.87304 -0.045 -0.28737 -1.91572 PHE_38 -6.41045 0.69332 2.1668 0.02761 -0.26938 0 0 0 0 0 0 0.01408 0.00184 1.34208 -0.13154 0.43057 -2.13507 ILE_39 -5.92504 0.63491 2.54893 0.0214 -0.18085 0 0 0 0 0 0 -0.02312 0.00098 0.11919 -0.02644 0.8318 -1.99824 ARG_40 -4.05607 0.27311 2.70492 0.00773 -0.52806 0 0 0 0 -0.28503 0 -0.2273 0.01932 1.36036 -0.0875 -0.14916 -0.96768 LYS_41 -2.63732 0.26393 1.5968 0.00308 0.10171 0 0 0 0 0 0 -0.23312 0.00973 0.78018 -0.0327 -0.28737 -0.43508 VAL_42 -3.06712 0.25523 1.14197 0.01587 0.27233 0 0 0 0 0 0 -0.03301 0.01721 0.02491 -0.06659 0.74484 -0.69436 LYS:CtermProteinFull_43 -2.71532 0.17041 2.28142 0.00325 -0.46537 0 0 0 0 -0.14374 0 0 0 1.12196 0 -0.28737 -0.03476 #END_POSE_ENERGIES_TABLE nods_bigger.blueprint.34_try68_pass_20150521064935_0001.pdb AlaCount 5 bb -0.0240008 buried_minus_exposed 3461.93 buried_np 5130.47 buried_over_exposed 3.07482 cavity_volume 0 contact_all 312 contact_core_SASA 312 contact_core_SCN 312 degree 10.0698 degree_core_SASA 10.0698 degree_core_SCN 10.0698 exposed_hydrophobics 1668.53 holes 0.305524 mismatch_probability 0.0753958 one_core_each 1 pack 0.687317 percent_core_SASA 0.0465008 percent_core_SCN 0.139502 res_count_core_SASA 2 res_count_core_SCN 6 ss_sc 0.843185 two_core_each 0.666667 unsat_hbond 3
HHH_rd2_0181.pdb
ATOM 1 N PRO A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA PRO A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C PRO A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O PRO A 1 1.320 2.363 -0.390 1.00 0.00 O ATOM 5 CB PRO A 1 1.803 -0.740 -1.297 1.00 0.00 C ATOM 6 CG PRO A 1 0.697 -0.378 -2.229 1.00 0.00 C ATOM 7 CD PRO A 1 -0.530 -0.343 -1.358 1.00 0.00 C ATOM 8 1H PRO A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 9 2H PRO A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 10 HA PRO A 1 1.804 -0.506 0.902 1.00 0.00 H ATOM 11 1HB PRO A 1 2.790 -0.420 -1.661 1.00 0.00 H ATOM 12 2HB PRO A 1 1.865 -1.821 -1.107 1.00 0.00 H ATOM 13 1HG PRO A 1 0.905 0.590 -2.707 1.00 0.00 H ATOM 14 2HG PRO A 1 0.622 -1.122 -3.036 1.00 0.00 H ATOM 15 1HD PRO A 1 -1.218 0.435 -1.723 1.00 0.00 H ATOM 16 2HD PRO A 1 -1.018 -1.329 -1.370 1.00 0.00 H ATOM 17 N LYS A 2 3.254 1.566 0.440 1.00 0.00 N ATOM 18 CA LYS A 2 3.900 2.872 0.491 1.00 0.00 C ATOM 19 C LYS A 2 4.151 3.418 -0.909 1.00 0.00 C ATOM 20 O LYS A 2 4.230 4.630 -1.108 1.00 0.00 O ATOM 21 CB LYS A 2 5.216 2.789 1.266 1.00 0.00 C ATOM 22 CG LYS A 2 5.050 2.604 2.769 1.00 0.00 C ATOM 23 CD LYS A 2 6.398 2.578 3.474 1.00 0.00 C ATOM 24 CE LYS A 2 6.233 2.435 4.980 1.00 0.00 C ATOM 25 NZ LYS A 2 7.544 2.373 5.680 1.00 0.00 N ATOM 26 H LYS A 2 3.766 0.752 0.747 1.00 0.00 H ATOM 27 HA LYS A 2 3.244 3.562 1.023 1.00 0.00 H ATOM 28 1HB LYS A 2 5.808 1.954 0.890 1.00 0.00 H ATOM 29 2HB LYS A 2 5.793 3.700 1.103 1.00 0.00 H ATOM 30 1HG LYS A 2 4.454 3.423 3.173 1.00 0.00 H ATOM 31 2HG LYS A 2 4.529 1.668 2.965 1.00 0.00 H ATOM 32 1HD LYS A 2 6.988 1.740 3.100 1.00 0.00 H ATOM 33 2HD LYS A 2 6.937 3.502 3.264 1.00 0.00 H ATOM 34 1HE LYS A 2 5.668 3.283 5.366 1.00 0.00 H ATOM 35 2HE LYS A 2 5.675 1.525 5.200 1.00 0.00 H ATOM 36 1HZ LYS A 2 7.392 2.278 6.674 1.00 0.00 H ATOM 37 2HZ LYS A 2 8.070 1.579 5.343 1.00 0.00 H ATOM 38 3HZ LYS A 2 8.063 3.221 5.499 1.00 0.00 H ATOM 39 N ASP A 3 4.275 2.516 -1.877 1.00 0.00 N ATOM 40 CA ASP A 3 4.408 2.907 -3.275 1.00 0.00 C ATOM 41 C ASP A 3 3.212 3.731 -3.733 1.00 0.00 C ATOM 42 O ASP A 3 3.371 4.784 -4.350 1.00 0.00 O ATOM 43 CB ASP A 3 4.554 1.670 -4.166 1.00 0.00 C ATOM 44 CG ASP A 3 5.901 0.979 -4.004 1.00 0.00 C ATOM 45 OD1 ASP A 3 6.790 1.577 -3.444 1.00 0.00 O ATOM 46 OD2 ASP A 3 6.029 -0.139 -4.442 1.00 0.00 O ATOM 47 H ASP A 3 4.277 1.535 -1.637 1.00 0.00 H ATOM 48 HA ASP A 3 5.310 3.510 -3.382 1.00 0.00 H ATOM 49 1HB ASP A 3 3.765 0.956 -3.929 1.00 0.00 H ATOM 50 2HB ASP A 3 4.433 1.958 -5.211 1.00 0.00 H ATOM 51 N GLN A 4 2.013 3.246 -3.427 1.00 0.00 N ATOM 52 CA GLN A 4 0.789 3.966 -3.755 1.00 0.00 C ATOM 53 C GLN A 4 0.654 5.233 -2.921 1.00 0.00 C ATOM 54 O GLN A 4 0.177 6.259 -3.405 1.00 0.00 O ATOM 55 CB GLN A 4 -0.434 3.069 -3.544 1.00 0.00 C ATOM 56 CG GLN A 4 -1.744 3.683 -4.005 1.00 0.00 C ATOM 57 CD GLN A 4 -1.768 3.942 -5.500 1.00 0.00 C ATOM 58 OE1 GLN A 4 -1.350 3.097 -6.297 1.00 0.00 O ATOM 59 NE2 GLN A 4 -2.258 5.114 -5.889 1.00 0.00 N ATOM 60 H GLN A 4 1.949 2.356 -2.955 1.00 0.00 H ATOM 61 HA GLN A 4 0.822 4.244 -4.810 1.00 0.00 H ATOM 62 1HB GLN A 4 -0.294 2.131 -4.082 1.00 0.00 H ATOM 63 2HB GLN A 4 -0.530 2.828 -2.486 1.00 0.00 H ATOM 64 1HG GLN A 4 -2.559 3.001 -3.764 1.00 0.00 H ATOM 65 2HG GLN A 4 -1.889 4.634 -3.492 1.00 0.00 H ATOM 66 1HE2 GLN A 4 -2.299 5.341 -6.863 1.00 0.00 H ATOM 67 2HE2 GLN A 4 -2.585 5.770 -5.209 1.00 0.00 H ATOM 68 N ALA A 5 1.077 5.155 -1.664 1.00 0.00 N ATOM 69 CA ALA A 5 1.086 6.318 -0.784 1.00 0.00 C ATOM 70 C ALA A 5 1.893 7.460 -1.388 1.00 0.00 C ATOM 71 O ALA A 5 1.467 8.614 -1.367 1.00 0.00 O ATOM 72 CB ALA A 5 1.639 5.945 0.583 1.00 0.00 C ATOM 73 H ALA A 5 1.402 4.267 -1.308 1.00 0.00 H ATOM 74 HA ALA A 5 0.057 6.653 -0.644 1.00 0.00 H ATOM 75 1HB ALA A 5 1.639 6.823 1.228 1.00 0.00 H ATOM 76 2HB ALA A 5 1.016 5.168 1.028 1.00 0.00 H ATOM 77 3HB ALA A 5 2.657 5.575 0.475 1.00 0.00 H ATOM 78 N LYS A 6 3.062 7.130 -1.927 1.00 0.00 N ATOM 79 CA LYS A 6 3.911 8.120 -2.580 1.00 0.00 C ATOM 80 C LYS A 6 3.229 8.704 -3.810 1.00 0.00 C ATOM 81 O LYS A 6 3.353 9.896 -4.093 1.00 0.00 O ATOM 82 CB LYS A 6 5.254 7.500 -2.969 1.00 0.00 C ATOM 83 CG LYS A 6 6.168 7.190 -1.791 1.00 0.00 C ATOM 84 CD LYS A 6 7.465 6.542 -2.253 1.00 0.00 C ATOM 85 CE LYS A 6 8.344 6.157 -1.072 1.00 0.00 C ATOM 86 NZ LYS A 6 9.622 5.534 -1.509 1.00 0.00 N ATOM 87 H LYS A 6 3.371 6.170 -1.883 1.00 0.00 H ATOM 88 HA LYS A 6 4.109 8.926 -1.874 1.00 0.00 H ATOM 89 1HB LYS A 6 5.083 6.571 -3.513 1.00 0.00 H ATOM 90 2HB LYS A 6 5.788 8.177 -3.637 1.00 0.00 H ATOM 91 1HG LYS A 6 6.403 8.113 -1.259 1.00 0.00 H ATOM 92 2HG LYS A 6 5.659 6.515 -1.103 1.00 0.00 H ATOM 93 1HD LYS A 6 7.237 5.646 -2.833 1.00 0.00 H ATOM 94 2HD LYS A 6 8.012 7.236 -2.890 1.00 0.00 H ATOM 95 1HE LYS A 6 8.569 7.045 -0.482 1.00 0.00 H ATOM 96 2HE LYS A 6 7.810 5.452 -0.435 1.00 0.00 H ATOM 97 1HZ LYS A 6 10.175 5.294 -0.699 1.00 0.00 H ATOM 98 2HZ LYS A 6 9.425 4.698 -2.042 1.00 0.00 H ATOM 99 3HZ LYS A 6 10.136 6.186 -2.085 1.00 0.00 H ATOM 100 N LYS A 7 2.507 7.859 -4.539 1.00 0.00 N ATOM 101 CA LYS A 7 1.735 8.307 -5.691 1.00 0.00 C ATOM 102 C LYS A 7 0.660 9.305 -5.280 1.00 0.00 C ATOM 103 O LYS A 7 0.426 10.298 -5.969 1.00 0.00 O ATOM 104 CB LYS A 7 1.099 7.114 -6.406 1.00 0.00 C ATOM 105 CG LYS A 7 2.089 6.217 -7.138 1.00 0.00 C ATOM 106 CD LYS A 7 1.387 5.035 -7.790 1.00 0.00 C ATOM 107 CE LYS A 7 2.380 4.117 -8.487 1.00 0.00 C ATOM 108 NZ LYS A 7 1.709 2.948 -9.117 1.00 0.00 N ATOM 109 H LYS A 7 2.494 6.881 -4.287 1.00 0.00 H ATOM 110 HA LYS A 7 2.413 8.792 -6.395 1.00 0.00 H ATOM 111 1HB LYS A 7 0.563 6.499 -5.682 1.00 0.00 H ATOM 112 2HB LYS A 7 0.370 7.472 -7.134 1.00 0.00 H ATOM 113 1HG LYS A 7 2.602 6.794 -7.908 1.00 0.00 H ATOM 114 2HG LYS A 7 2.832 5.844 -6.433 1.00 0.00 H ATOM 115 1HD LYS A 7 0.850 4.466 -7.030 1.00 0.00 H ATOM 116 2HD LYS A 7 0.667 5.399 -8.523 1.00 0.00 H ATOM 117 1HE LYS A 7 2.911 4.674 -9.258 1.00 0.00 H ATOM 118 2HE LYS A 7 3.111 3.755 -7.764 1.00 0.00 H ATOM 119 1HZ LYS A 7 2.400 2.365 -9.567 1.00 0.00 H ATOM 120 2HZ LYS A 7 1.228 2.412 -8.407 1.00 0.00 H ATOM 121 3HZ LYS A 7 1.043 3.270 -9.804 1.00 0.00 H ATOM 122 N GLU A 8 0.010 9.035 -4.154 1.00 0.00 N ATOM 123 CA GLU A 8 -1.032 9.917 -3.641 1.00 0.00 C ATOM 124 C GLU A 8 -0.445 11.232 -3.144 1.00 0.00 C ATOM 125 O GLU A 8 -1.054 12.291 -3.295 1.00 0.00 O ATOM 126 CB GLU A 8 -1.802 9.232 -2.510 1.00 0.00 C ATOM 127 CG GLU A 8 -2.615 8.021 -2.946 1.00 0.00 C ATOM 128 CD GLU A 8 -3.604 8.341 -4.032 1.00 0.00 C ATOM 129 OE1 GLU A 8 -4.311 9.311 -3.899 1.00 0.00 O ATOM 130 OE2 GLU A 8 -3.653 7.614 -4.997 1.00 0.00 O ATOM 131 H GLU A 8 0.242 8.198 -3.639 1.00 0.00 H ATOM 132 HA GLU A 8 -1.734 10.130 -4.448 1.00 0.00 H ATOM 133 1HB GLU A 8 -1.104 8.906 -1.739 1.00 0.00 H ATOM 134 2HB GLU A 8 -2.486 9.946 -2.051 1.00 0.00 H ATOM 135 1HG GLU A 8 -1.934 7.250 -3.307 1.00 0.00 H ATOM 136 2HG GLU A 8 -3.146 7.623 -2.083 1.00 0.00 H ATOM 137 N ILE A 9 0.741 11.158 -2.550 1.00 0.00 N ATOM 138 CA ILE A 9 1.484 12.354 -2.170 1.00 0.00 C ATOM 139 C ILE A 9 1.830 13.199 -3.389 1.00 0.00 C ATOM 140 O ILE A 9 1.660 14.418 -3.379 1.00 0.00 O ATOM 141 CB ILE A 9 2.775 11.982 -1.418 1.00 0.00 C ATOM 142 CG1 ILE A 9 2.443 11.380 -0.050 1.00 0.00 C ATOM 143 CG2 ILE A 9 3.670 13.203 -1.263 1.00 0.00 C ATOM 144 CD1 ILE A 9 3.620 10.716 0.626 1.00 0.00 C ATOM 145 H ILE A 9 1.139 10.250 -2.358 1.00 0.00 H ATOM 146 HA ILE A 9 0.863 12.947 -1.498 1.00 0.00 H ATOM 147 HB ILE A 9 3.314 11.217 -1.977 1.00 0.00 H ATOM 148 1HG1 ILE A 9 2.066 12.162 0.609 1.00 0.00 H ATOM 149 2HG1 ILE A 9 1.651 10.639 -0.162 1.00 0.00 H ATOM 150 1HG2 ILE A 9 4.578 12.923 -0.729 1.00 0.00 H ATOM 151 2HG2 ILE A 9 3.932 13.589 -2.247 1.00 0.00 H ATOM 152 3HG2 ILE A 9 3.141 13.972 -0.701 1.00 0.00 H ATOM 153 1HD1 ILE A 9 3.306 10.313 1.590 1.00 0.00 H ATOM 154 2HD1 ILE A 9 3.991 9.905 -0.002 1.00 0.00 H ATOM 155 3HD1 ILE A 9 4.411 11.447 0.781 1.00 0.00 H ATOM 156 N GLU A 10 2.316 12.544 -4.438 1.00 0.00 N ATOM 157 CA GLU A 10 2.612 13.222 -5.694 1.00 0.00 C ATOM 158 C GLU A 10 1.388 13.957 -6.225 1.00 0.00 C ATOM 159 O GLU A 10 1.482 15.105 -6.659 1.00 0.00 O ATOM 160 CB GLU A 10 3.108 12.218 -6.738 1.00 0.00 C ATOM 161 CG GLU A 10 3.467 12.835 -8.082 1.00 0.00 C ATOM 162 CD GLU A 10 3.963 11.822 -9.076 1.00 0.00 C ATOM 163 OE1 GLU A 10 4.411 10.780 -8.661 1.00 0.00 O ATOM 164 OE2 GLU A 10 3.893 12.090 -10.253 1.00 0.00 O ATOM 165 H GLU A 10 2.484 11.551 -4.363 1.00 0.00 H ATOM 166 HA GLU A 10 3.406 13.947 -5.517 1.00 0.00 H ATOM 167 1HB GLU A 10 3.992 11.705 -6.358 1.00 0.00 H ATOM 168 2HB GLU A 10 2.341 11.463 -6.910 1.00 0.00 H ATOM 169 1HG GLU A 10 2.585 13.327 -8.491 1.00 0.00 H ATOM 170 2HG GLU A 10 4.234 13.592 -7.929 1.00 0.00 H ATOM 171 N LYS A 11 0.240 13.289 -6.188 1.00 0.00 N ATOM 172 CA LYS A 11 -1.013 13.893 -6.626 1.00 0.00 C ATOM 173 C LYS A 11 -1.285 15.195 -5.884 1.00 0.00 C ATOM 174 O LYS A 11 -1.590 16.218 -6.498 1.00 0.00 O ATOM 175 CB LYS A 11 -2.175 12.920 -6.426 1.00 0.00 C ATOM 176 CG LYS A 11 -2.181 11.740 -7.388 1.00 0.00 C ATOM 177 CD LYS A 11 -3.314 10.775 -7.073 1.00 0.00 C ATOM 178 CE LYS A 11 -3.284 9.564 -7.995 1.00 0.00 C ATOM 179 NZ LYS A 11 -4.340 8.575 -7.648 1.00 0.00 N ATOM 180 H LYS A 11 0.235 12.338 -5.848 1.00 0.00 H ATOM 181 HA LYS A 11 -0.939 14.107 -7.693 1.00 0.00 H ATOM 182 1HB LYS A 11 -2.147 12.523 -5.411 1.00 0.00 H ATOM 183 2HB LYS A 11 -3.120 13.452 -6.544 1.00 0.00 H ATOM 184 1HG LYS A 11 -2.299 12.103 -8.410 1.00 0.00 H ATOM 185 2HG LYS A 11 -1.232 11.208 -7.318 1.00 0.00 H ATOM 186 1HD LYS A 11 -3.227 10.436 -6.039 1.00 0.00 H ATOM 187 2HD LYS A 11 -4.270 11.285 -7.190 1.00 0.00 H ATOM 188 1HE LYS A 11 -3.431 9.888 -9.024 1.00 0.00 H ATOM 189 2HE LYS A 11 -2.312 9.078 -7.925 1.00 0.00 H ATOM 190 1HZ LYS A 11 -4.287 7.789 -8.280 1.00 0.00 H ATOM 191 2HZ LYS A 11 -4.202 8.253 -6.700 1.00 0.00 H ATOM 192 3HZ LYS A 11 -5.248 9.009 -7.727 1.00 0.00 H ATOM 193 N ALA A 12 -1.174 15.151 -4.561 1.00 0.00 N ATOM 194 CA ALA A 12 -1.396 16.330 -3.734 1.00 0.00 C ATOM 195 C ALA A 12 -0.405 17.436 -4.073 1.00 0.00 C ATOM 196 O ALA A 12 -0.763 18.613 -4.115 1.00 0.00 O ATOM 197 CB ALA A 12 -1.300 15.969 -2.259 1.00 0.00 C ATOM 198 H ALA A 12 -0.930 14.277 -4.117 1.00 0.00 H ATOM 199 HA ALA A 12 -2.406 16.698 -3.918 1.00 0.00 H ATOM 200 1HB ALA A 12 -1.468 16.860 -1.654 1.00 0.00 H ATOM 201 2HB ALA A 12 -2.054 15.219 -2.018 1.00 0.00 H ATOM 202 3HB ALA A 12 -0.310 15.568 -2.047 1.00 0.00 H ATOM 203 N LEU A 13 0.844 17.050 -4.316 1.00 0.00 N ATOM 204 CA LEU A 13 1.879 18.002 -4.698 1.00 0.00 C ATOM 205 C LEU A 13 1.566 18.648 -6.041 1.00 0.00 C ATOM 206 O LEU A 13 1.766 19.848 -6.226 1.00 0.00 O ATOM 207 CB LEU A 13 3.243 17.304 -4.765 1.00 0.00 C ATOM 208 CG LEU A 13 3.828 16.856 -3.419 1.00 0.00 C ATOM 209 CD1 LEU A 13 5.037 15.962 -3.662 1.00 0.00 C ATOM 210 CD2 LEU A 13 4.210 18.080 -2.599 1.00 0.00 C ATOM 211 H LEU A 13 1.081 16.072 -4.233 1.00 0.00 H ATOM 212 HA LEU A 13 1.929 18.783 -3.938 1.00 0.00 H ATOM 213 1HB LEU A 13 3.150 16.421 -5.395 1.00 0.00 H ATOM 214 2HB LEU A 13 3.959 17.982 -5.228 1.00 0.00 H ATOM 215 HG LEU A 13 3.085 16.272 -2.875 1.00 0.00 H ATOM 216 1HD1 LEU A 13 5.452 15.644 -2.706 1.00 0.00 H ATOM 217 2HD1 LEU A 13 4.731 15.086 -4.234 1.00 0.00 H ATOM 218 3HD1 LEU A 13 5.792 16.515 -4.220 1.00 0.00 H ATOM 219 1HD2 LEU A 13 4.625 17.762 -1.642 1.00 0.00 H ATOM 220 2HD2 LEU A 13 4.953 18.664 -3.141 1.00 0.00 H ATOM 221 3HD2 LEU A 13 3.324 18.692 -2.425 1.00 0.00 H ATOM 222 N ARG A 14 1.073 17.844 -6.978 1.00 0.00 N ATOM 223 CA ARG A 14 0.699 18.342 -8.296 1.00 0.00 C ATOM 224 C ARG A 14 -0.514 19.259 -8.214 1.00 0.00 C ATOM 225 O ARG A 14 -0.691 20.147 -9.048 1.00 0.00 O ATOM 226 CB ARG A 14 0.395 17.186 -9.238 1.00 0.00 C ATOM 227 CG ARG A 14 1.612 16.398 -9.697 1.00 0.00 C ATOM 228 CD ARG A 14 1.241 15.322 -10.651 1.00 0.00 C ATOM 229 NE ARG A 14 2.397 14.543 -11.065 1.00 0.00 N ATOM 230 CZ ARG A 14 3.236 14.889 -12.060 1.00 0.00 C ATOM 231 NH1 ARG A 14 3.037 16.002 -12.731 1.00 0.00 N ATOM 232 NH2 ARG A 14 4.261 14.111 -12.361 1.00 0.00 N ATOM 233 H ARG A 14 0.955 16.862 -6.771 1.00 0.00 H ATOM 234 HA ARG A 14 1.538 18.907 -8.703 1.00 0.00 H ATOM 235 1HB ARG A 14 -0.285 16.489 -8.751 1.00 0.00 H ATOM 236 2HB ARG A 14 -0.107 17.565 -10.128 1.00 0.00 H ATOM 237 1HG ARG A 14 2.314 17.068 -10.192 1.00 0.00 H ATOM 238 2HG ARG A 14 2.095 15.939 -8.833 1.00 0.00 H ATOM 239 1HD ARG A 14 0.527 14.648 -10.180 1.00 0.00 H ATOM 240 2HD ARG A 14 0.791 15.763 -11.540 1.00 0.00 H ATOM 241 HE ARG A 14 2.583 13.680 -10.572 1.00 0.00 H ATOM 242 1HH1 ARG A 14 2.253 16.597 -12.501 1.00 0.00 H ATOM 243 2HH1 ARG A 14 3.666 16.262 -13.477 1.00 0.00 H ATOM 244 1HH2 ARG A 14 4.415 13.255 -11.845 1.00 0.00 H ATOM 245 2HH2 ARG A 14 4.890 14.371 -13.106 1.00 0.00 H ATOM 246 N ASN A 15 -1.349 19.039 -7.204 1.00 0.00 N ATOM 247 CA ASN A 15 -2.511 19.888 -6.971 1.00 0.00 C ATOM 248 C ASN A 15 -2.106 21.218 -6.349 1.00 0.00 C ATOM 249 O ASN A 15 -2.915 22.140 -6.249 1.00 0.00 O ATOM 250 CB ASN A 15 -3.526 19.176 -6.096 1.00 0.00 C ATOM 251 CG ASN A 15 -4.225 18.056 -6.816 1.00 0.00 C ATOM 252 OD1 ASN A 15 -4.333 18.065 -8.047 1.00 0.00 O ATOM 253 ND2 ASN A 15 -4.702 17.091 -6.071 1.00 0.00 N ATOM 254 H ASN A 15 -1.174 18.263 -6.581 1.00 0.00 H ATOM 255 HA ASN A 15 -2.976 20.110 -7.933 1.00 0.00 H ATOM 256 1HB ASN A 15 -3.027 18.770 -5.215 1.00 0.00 H ATOM 257 2HB ASN A 15 -4.273 19.891 -5.749 1.00 0.00 H ATOM 258 1HD2 ASN A 15 -5.177 16.320 -6.496 1.00 0.00 H ATOM 259 2HD2 ASN A 15 -4.592 17.125 -5.078 1.00 0.00 H ATOM 260 N GLY A 16 -0.848 21.311 -5.931 1.00 0.00 N ATOM 261 CA GLY A 16 -0.333 22.528 -5.316 1.00 0.00 C ATOM 262 C GLY A 16 -0.658 22.574 -3.828 1.00 0.00 C ATOM 263 O GLY A 16 -0.697 23.646 -3.224 1.00 0.00 O ATOM 264 H GLY A 16 -0.233 20.517 -6.042 1.00 0.00 H ATOM 265 1HA GLY A 16 0.747 22.579 -5.458 1.00 0.00 H ATOM 266 2HA GLY A 16 -0.763 23.397 -5.813 1.00 0.00 H ATOM 267 N ASP A 17 -0.891 21.405 -3.243 1.00 0.00 N ATOM 268 CA ASP A 17 -1.239 21.311 -1.830 1.00 0.00 C ATOM 269 C ASP A 17 -0.195 20.515 -1.057 1.00 0.00 C ATOM 270 O ASP A 17 -0.372 19.324 -0.803 1.00 0.00 O ATOM 271 CB ASP A 17 -2.615 20.663 -1.657 1.00 0.00 C ATOM 272 CG ASP A 17 -3.081 20.639 -0.208 1.00 0.00 C ATOM 273 OD1 ASP A 17 -2.274 20.879 0.659 1.00 0.00 O ATOM 274 OD2 ASP A 17 -4.239 20.380 0.019 1.00 0.00 O ATOM 275 H ASP A 17 -0.827 20.558 -3.790 1.00 0.00 H ATOM 276 HA ASP A 17 -1.275 22.319 -1.415 1.00 0.00 H ATOM 277 1HB ASP A 17 -3.350 21.206 -2.251 1.00 0.00 H ATOM 278 2HB ASP A 17 -2.584 19.639 -2.030 1.00 0.00 H ATOM 279 N GLU A 18 0.894 21.180 -0.686 1.00 0.00 N ATOM 280 CA GLU A 18 1.996 20.521 0.004 1.00 0.00 C ATOM 281 C GLU A 18 1.593 20.101 1.412 1.00 0.00 C ATOM 282 O GLU A 18 2.110 19.122 1.949 1.00 0.00 O ATOM 283 CB GLU A 18 3.215 21.445 0.067 1.00 0.00 C ATOM 284 CG GLU A 18 3.885 21.694 -1.277 1.00 0.00 C ATOM 285 CD GLU A 18 5.131 22.526 -1.164 1.00 0.00 C ATOM 286 OE1 GLU A 18 5.405 23.010 -0.092 1.00 0.00 O ATOM 287 OE2 GLU A 18 5.812 22.678 -2.151 1.00 0.00 O ATOM 288 H GLU A 18 0.959 22.168 -0.886 1.00 0.00 H ATOM 289 HA GLU A 18 2.275 19.631 -0.561 1.00 0.00 H ATOM 290 1HB GLU A 18 2.918 22.411 0.477 1.00 0.00 H ATOM 291 2HB GLU A 18 3.960 21.019 0.738 1.00 0.00 H ATOM 292 1HG GLU A 18 4.141 20.735 -1.727 1.00 0.00 H ATOM 293 2HG GLU A 18 3.177 22.195 -1.937 1.00 0.00 H ATOM 294 N GLU A 19 0.667 20.847 2.004 1.00 0.00 N ATOM 295 CA GLU A 19 0.165 20.531 3.336 1.00 0.00 C ATOM 296 C GLU A 19 -0.442 19.135 3.379 1.00 0.00 C ATOM 297 O GLU A 19 -0.057 18.305 4.202 1.00 0.00 O ATOM 298 CB GLU A 19 -0.875 21.565 3.773 1.00 0.00 C ATOM 299 CG GLU A 19 -1.454 21.326 5.161 1.00 0.00 C ATOM 300 CD GLU A 19 -2.451 22.375 5.567 1.00 0.00 C ATOM 301 OE1 GLU A 19 -2.616 23.325 4.839 1.00 0.00 O ATOM 302 OE2 GLU A 19 -3.049 22.227 6.606 1.00 0.00 O ATOM 303 H GLU A 19 0.301 21.654 1.519 1.00 0.00 H ATOM 304 HA GLU A 19 0.999 20.572 4.038 1.00 0.00 H ATOM 305 1HB GLU A 19 -0.427 22.558 3.764 1.00 0.00 H ATOM 306 2HB GLU A 19 -1.702 21.572 3.063 1.00 0.00 H ATOM 307 1HG GLU A 19 -1.942 20.352 5.177 1.00 0.00 H ATOM 308 2HG GLU A 19 -0.640 21.306 5.884 1.00 0.00 H ATOM 309 N LYS A 20 -1.394 18.882 2.487 1.00 0.00 N ATOM 310 CA LYS A 20 -2.001 17.562 2.368 1.00 0.00 C ATOM 311 C LYS A 20 -0.955 16.501 2.049 1.00 0.00 C ATOM 312 O LYS A 20 -0.971 15.409 2.616 1.00 0.00 O ATOM 313 CB LYS A 20 -3.090 17.567 1.294 1.00 0.00 C ATOM 314 CG LYS A 20 -3.794 16.230 1.105 1.00 0.00 C ATOM 315 CD LYS A 20 -4.899 16.330 0.064 1.00 0.00 C ATOM 316 CE LYS A 20 -5.580 14.987 -0.152 1.00 0.00 C ATOM 317 NZ LYS A 20 -6.688 15.077 -1.141 1.00 0.00 N ATOM 318 H LYS A 20 -1.706 19.623 1.876 1.00 0.00 H ATOM 319 HA LYS A 20 -2.474 17.311 3.319 1.00 0.00 H ATOM 320 1HB LYS A 20 -3.846 18.311 1.546 1.00 0.00 H ATOM 321 2HB LYS A 20 -2.654 17.854 0.336 1.00 0.00 H ATOM 322 1HG LYS A 20 -3.070 15.480 0.783 1.00 0.00 H ATOM 323 2HG LYS A 20 -4.227 15.910 2.052 1.00 0.00 H ATOM 324 1HD LYS A 20 -5.643 17.057 0.391 1.00 0.00 H ATOM 325 2HD LYS A 20 -4.478 16.669 -0.883 1.00 0.00 H ATOM 326 1HE LYS A 20 -4.850 14.262 -0.508 1.00 0.00 H ATOM 327 2HE LYS A 20 -5.984 14.627 0.794 1.00 0.00 H ATOM 328 1HZ LYS A 20 -7.113 14.168 -1.256 1.00 0.00 H ATOM 329 2HZ LYS A 20 -7.382 15.734 -0.812 1.00 0.00 H ATOM 330 3HZ LYS A 20 -6.323 15.391 -2.029 1.00 0.00 H ATOM 331 N ALA A 21 -0.047 16.830 1.137 1.00 0.00 N ATOM 332 CA ALA A 21 1.018 15.911 0.751 1.00 0.00 C ATOM 333 C ALA A 21 1.835 15.476 1.960 1.00 0.00 C ATOM 334 O ALA A 21 2.174 14.301 2.103 1.00 0.00 O ATOM 335 CB ALA A 21 1.920 16.554 -0.293 1.00 0.00 C ATOM 336 H ALA A 21 -0.095 17.739 0.700 1.00 0.00 H ATOM 337 HA ALA A 21 0.566 15.028 0.298 1.00 0.00 H ATOM 338 1HB ALA A 21 2.710 15.856 -0.571 1.00 0.00 H ATOM 339 2HB ALA A 21 1.332 16.807 -1.175 1.00 0.00 H ATOM 340 3HB ALA A 21 2.364 17.459 0.118 1.00 0.00 H ATOM 341 N LYS A 22 2.150 16.430 2.830 1.00 0.00 N ATOM 342 CA LYS A 22 2.894 16.140 4.050 1.00 0.00 C ATOM 343 C LYS A 22 2.064 15.303 5.015 1.00 0.00 C ATOM 344 O LYS A 22 2.582 14.398 5.670 1.00 0.00 O ATOM 345 CB LYS A 22 3.339 17.437 4.728 1.00 0.00 C ATOM 346 CG LYS A 22 4.446 18.182 3.994 1.00 0.00 C ATOM 347 CD LYS A 22 4.803 19.480 4.704 1.00 0.00 C ATOM 348 CE LYS A 22 5.898 20.233 3.963 1.00 0.00 C ATOM 349 NZ LYS A 22 6.246 21.514 4.637 1.00 0.00 N ATOM 350 H LYS A 22 1.866 17.381 2.641 1.00 0.00 H ATOM 351 HA LYS A 22 3.791 15.580 3.783 1.00 0.00 H ATOM 352 1HB LYS A 22 2.486 18.111 4.819 1.00 0.00 H ATOM 353 2HB LYS A 22 3.693 17.218 5.735 1.00 0.00 H ATOM 354 1HG LYS A 22 5.335 17.551 3.939 1.00 0.00 H ATOM 355 2HG LYS A 22 4.121 18.410 2.980 1.00 0.00 H ATOM 356 1HD LYS A 22 3.918 20.114 4.770 1.00 0.00 H ATOM 357 2HD LYS A 22 5.147 19.259 5.714 1.00 0.00 H ATOM 358 1HE LYS A 22 6.791 19.613 3.906 1.00 0.00 H ATOM 359 2HE LYS A 22 5.567 20.450 2.948 1.00 0.00 H ATOM 360 1HZ LYS A 22 6.973 21.982 4.116 1.00 0.00 H ATOM 361 2HZ LYS A 22 5.428 22.106 4.679 1.00 0.00 H ATOM 362 3HZ LYS A 22 6.572 21.324 5.574 1.00 0.00 H ATOM 363 N ARG A 23 0.774 15.610 5.099 1.00 0.00 N ATOM 364 CA ARG A 23 -0.141 14.852 5.943 1.00 0.00 C ATOM 365 C ARG A 23 -0.245 13.404 5.481 1.00 0.00 C ATOM 366 O ARG A 23 -0.314 12.485 6.297 1.00 0.00 O ATOM 367 CB ARG A 23 -1.525 15.484 5.936 1.00 0.00 C ATOM 368 CG ARG A 23 -1.623 16.815 6.664 1.00 0.00 C ATOM 369 CD ARG A 23 -3.003 17.363 6.622 1.00 0.00 C ATOM 370 NE ARG A 23 -3.064 18.720 7.141 1.00 0.00 N ATOM 371 CZ ARG A 23 -3.144 19.036 8.449 1.00 0.00 C ATOM 372 NH1 ARG A 23 -3.171 18.084 9.355 1.00 0.00 N ATOM 373 NH2 ARG A 23 -3.194 20.303 8.820 1.00 0.00 N ATOM 374 H ARG A 23 0.418 16.390 4.564 1.00 0.00 H ATOM 375 HA ARG A 23 0.239 14.866 6.965 1.00 0.00 H ATOM 376 1HB ARG A 23 -1.845 15.646 4.908 1.00 0.00 H ATOM 377 2HB ARG A 23 -2.239 14.802 6.397 1.00 0.00 H ATOM 378 1HG ARG A 23 -1.340 16.681 7.708 1.00 0.00 H ATOM 379 2HG ARG A 23 -0.953 17.537 6.196 1.00 0.00 H ATOM 380 1HD ARG A 23 -3.358 17.376 5.592 1.00 0.00 H ATOM 381 2HD ARG A 23 -3.661 16.738 7.224 1.00 0.00 H ATOM 382 HE ARG A 23 -3.045 19.480 6.474 1.00 0.00 H ATOM 383 1HH1 ARG A 23 -3.133 17.115 9.071 1.00 0.00 H ATOM 384 2HH1 ARG A 23 -3.231 18.321 10.334 1.00 0.00 H ATOM 385 1HH2 ARG A 23 -3.173 21.036 8.123 1.00 0.00 H ATOM 386 2HH2 ARG A 23 -3.254 20.540 9.799 1.00 0.00 H ATOM 387 N LEU A 24 -0.256 13.207 4.167 1.00 0.00 N ATOM 388 CA LEU A 24 -0.282 11.867 3.593 1.00 0.00 C ATOM 389 C LEU A 24 0.988 11.098 3.931 1.00 0.00 C ATOM 390 O LEU A 24 0.942 9.904 4.228 1.00 0.00 O ATOM 391 CB LEU A 24 -0.449 11.946 2.070 1.00 0.00 C ATOM 392 CG LEU A 24 -1.812 12.447 1.576 1.00 0.00 C ATOM 393 CD1 LEU A 24 -1.752 12.683 0.073 1.00 0.00 C ATOM 394 CD2 LEU A 24 -2.886 11.427 1.926 1.00 0.00 C ATOM 395 H LEU A 24 -0.245 14.007 3.550 1.00 0.00 H ATOM 396 HA LEU A 24 -1.137 11.330 4.007 1.00 0.00 H ATOM 397 1HB LEU A 24 0.313 12.613 1.671 1.00 0.00 H ATOM 398 2HB LEU A 24 -0.289 10.953 1.651 1.00 0.00 H ATOM 399 HG LEU A 24 -2.046 13.398 2.054 1.00 0.00 H ATOM 400 1HD1 LEU A 24 -2.721 13.039 -0.279 1.00 0.00 H ATOM 401 2HD1 LEU A 24 -0.990 13.431 -0.148 1.00 0.00 H ATOM 402 3HD1 LEU A 24 -1.504 11.751 -0.432 1.00 0.00 H ATOM 403 1HD2 LEU A 24 -3.855 11.783 1.575 1.00 0.00 H ATOM 404 2HD2 LEU A 24 -2.654 10.475 1.447 1.00 0.00 H ATOM 405 3HD2 LEU A 24 -2.919 11.290 3.007 1.00 0.00 H ATOM 406 N ALA A 25 2.122 11.789 3.885 1.00 0.00 N ATOM 407 CA ALA A 25 3.395 11.200 4.286 1.00 0.00 C ATOM 408 C ALA A 25 3.365 10.764 5.745 1.00 0.00 C ATOM 409 O ALA A 25 3.848 9.686 6.090 1.00 0.00 O ATOM 410 CB ALA A 25 4.531 12.185 4.051 1.00 0.00 C ATOM 411 H ALA A 25 2.102 12.746 3.565 1.00 0.00 H ATOM 412 HA ALA A 25 3.582 10.325 3.663 1.00 0.00 H ATOM 413 1HB ALA A 25 5.474 11.731 4.355 1.00 0.00 H ATOM 414 2HB ALA A 25 4.576 12.442 2.993 1.00 0.00 H ATOM 415 3HB ALA A 25 4.358 13.086 4.636 1.00 0.00 H ATOM 416 N LYS A 26 2.795 11.608 6.598 1.00 0.00 N ATOM 417 CA LYS A 26 2.643 11.283 8.011 1.00 0.00 C ATOM 418 C LYS A 26 1.700 10.103 8.207 1.00 0.00 C ATOM 419 O LYS A 26 1.910 9.267 9.085 1.00 0.00 O ATOM 420 CB LYS A 26 2.135 12.498 8.789 1.00 0.00 C ATOM 421 CG LYS A 26 3.146 13.629 8.921 1.00 0.00 C ATOM 422 CD LYS A 26 2.552 14.817 9.662 1.00 0.00 C ATOM 423 CE LYS A 26 3.555 15.955 9.779 1.00 0.00 C ATOM 424 NZ LYS A 26 2.981 17.134 10.483 1.00 0.00 N ATOM 425 H LYS A 26 2.458 12.498 6.259 1.00 0.00 H ATOM 426 HA LYS A 26 3.622 11.018 8.412 1.00 0.00 H ATOM 427 1HB LYS A 26 1.247 12.898 8.298 1.00 0.00 H ATOM 428 2HB LYS A 26 1.843 12.191 9.793 1.00 0.00 H ATOM 429 1HG LYS A 26 4.022 13.273 9.464 1.00 0.00 H ATOM 430 2HG LYS A 26 3.462 13.952 7.929 1.00 0.00 H ATOM 431 1HD LYS A 26 1.670 15.175 9.130 1.00 0.00 H ATOM 432 2HD LYS A 26 2.251 14.508 10.663 1.00 0.00 H ATOM 433 1HE LYS A 26 4.432 15.612 10.327 1.00 0.00 H ATOM 434 2HE LYS A 26 3.874 16.263 8.783 1.00 0.00 H ATOM 435 1HZ LYS A 26 3.676 17.865 10.539 1.00 0.00 H ATOM 436 2HZ LYS A 26 2.177 17.472 9.973 1.00 0.00 H ATOM 437 3HZ LYS A 26 2.699 16.865 11.415 1.00 0.00 H ATOM 438 N LYS A 27 0.659 10.042 7.383 1.00 0.00 N ATOM 439 CA LYS A 27 -0.334 8.979 7.482 1.00 0.00 C ATOM 440 C LYS A 27 0.277 7.622 7.155 1.00 0.00 C ATOM 441 O LYS A 27 0.087 6.652 7.889 1.00 0.00 O ATOM 442 CB LYS A 27 -1.515 9.262 6.553 1.00 0.00 C ATOM 443 CG LYS A 27 -2.613 8.207 6.592 1.00 0.00 C ATOM 444 CD LYS A 27 -3.789 8.600 5.710 1.00 0.00 C ATOM 445 CE LYS A 27 -4.877 7.536 5.730 1.00 0.00 C ATOM 446 NZ LYS A 27 -6.042 7.916 4.886 1.00 0.00 N ATOM 447 H LYS A 27 0.553 10.749 6.671 1.00 0.00 H ATOM 448 HA LYS A 27 -0.714 8.954 8.504 1.00 0.00 H ATOM 449 1HB LYS A 27 -1.963 10.220 6.815 1.00 0.00 H ATOM 450 2HB LYS A 27 -1.160 9.336 5.525 1.00 0.00 H ATOM 451 1HG LYS A 27 -2.214 7.252 6.246 1.00 0.00 H ATOM 452 2HG LYS A 27 -2.964 8.084 7.616 1.00 0.00 H ATOM 453 1HD LYS A 27 -4.208 9.543 6.061 1.00 0.00 H ATOM 454 2HD LYS A 27 -3.445 8.734 4.684 1.00 0.00 H ATOM 455 1HE LYS A 27 -4.471 6.594 5.364 1.00 0.00 H ATOM 456 2HE LYS A 27 -5.219 7.385 6.753 1.00 0.00 H ATOM 457 1HZ LYS A 27 -6.740 7.187 4.927 1.00 0.00 H ATOM 458 2HZ LYS A 27 -6.439 8.780 5.229 1.00 0.00 H ATOM 459 3HZ LYS A 27 -5.741 8.040 3.931 1.00 0.00 H ATOM 460 N TYR A 28 1.010 7.560 6.049 1.00 0.00 N ATOM 461 CA TYR A 28 1.459 6.287 5.498 1.00 0.00 C ATOM 462 C TYR A 28 2.909 6.006 5.870 1.00 0.00 C ATOM 463 O TYR A 28 3.439 4.934 5.578 1.00 0.00 O ATOM 464 CB TYR A 28 1.289 6.273 3.977 1.00 0.00 C ATOM 465 CG TYR A 28 -0.151 6.356 3.522 1.00 0.00 C ATOM 466 CD1 TYR A 28 -0.608 7.491 2.870 1.00 0.00 C ATOM 467 CD2 TYR A 28 -1.015 5.296 3.759 1.00 0.00 C ATOM 468 CE1 TYR A 28 -1.924 7.567 2.454 1.00 0.00 C ATOM 469 CE2 TYR A 28 -2.330 5.372 3.344 1.00 0.00 C ATOM 470 CZ TYR A 28 -2.785 6.501 2.694 1.00 0.00 C ATOM 471 OH TYR A 28 -4.095 6.577 2.281 1.00 0.00 O ATOM 472 H TYR A 28 1.263 8.417 5.578 1.00 0.00 H ATOM 473 HA TYR A 28 0.848 5.491 5.924 1.00 0.00 H ATOM 474 1HB TYR A 28 1.832 7.113 3.542 1.00 0.00 H ATOM 475 2HB TYR A 28 1.722 5.359 3.571 1.00 0.00 H ATOM 476 HD1 TYR A 28 0.071 8.324 2.684 1.00 0.00 H ATOM 477 HD2 TYR A 28 -0.656 4.405 4.273 1.00 0.00 H ATOM 478 HE1 TYR A 28 -2.283 8.458 1.942 1.00 0.00 H ATOM 479 HE2 TYR A 28 -3.009 4.540 3.530 1.00 0.00 H ATOM 480 HH TYR A 28 -4.425 5.693 2.104 1.00 0.00 H ATOM 481 N GLY A 29 3.547 6.976 6.516 1.00 0.00 N ATOM 482 CA GLY A 29 4.897 6.792 7.035 1.00 0.00 C ATOM 483 C GLY A 29 5.937 6.950 5.934 1.00 0.00 C ATOM 484 O GLY A 29 6.889 6.174 5.850 1.00 0.00 O ATOM 485 H GLY A 29 3.085 7.864 6.652 1.00 0.00 H ATOM 486 1HA GLY A 29 5.086 7.519 7.826 1.00 0.00 H ATOM 487 2HA GLY A 29 4.983 5.802 7.482 1.00 0.00 H ATOM 488 N ILE A 30 5.749 7.959 5.090 1.00 0.00 N ATOM 489 CA ILE A 30 6.706 8.262 4.032 1.00 0.00 C ATOM 490 C ILE A 30 7.733 9.286 4.496 1.00 0.00 C ATOM 491 O ILE A 30 7.381 10.316 5.071 1.00 0.00 O ATOM 492 CB ILE A 30 5.988 8.786 2.775 1.00 0.00 C ATOM 493 CG1 ILE A 30 4.927 7.785 2.310 1.00 0.00 C ATOM 494 CG2 ILE A 30 6.991 9.058 1.665 1.00 0.00 C ATOM 495 CD1 ILE A 30 5.480 6.416 1.986 1.00 0.00 C ATOM 496 H ILE A 30 4.922 8.531 5.183 1.00 0.00 H ATOM 497 HA ILE A 30 7.234 7.345 3.771 1.00 0.00 H ATOM 498 HB ILE A 30 5.465 9.711 3.015 1.00 0.00 H ATOM 499 1HG1 ILE A 30 4.169 7.672 3.084 1.00 0.00 H ATOM 500 2HG1 ILE A 30 4.429 8.170 1.420 1.00 0.00 H ATOM 501 1HG2 ILE A 30 6.466 9.427 0.784 1.00 0.00 H ATOM 502 2HG2 ILE A 30 7.709 9.806 1.999 1.00 0.00 H ATOM 503 3HG2 ILE A 30 7.516 8.136 1.414 1.00 0.00 H ATOM 504 1HD1 ILE A 30 4.669 5.763 1.663 1.00 0.00 H ATOM 505 2HD1 ILE A 30 6.217 6.500 1.187 1.00 0.00 H ATOM 506 3HD1 ILE A 30 5.952 5.995 2.872 1.00 0.00 H ATOM 507 N SER A 31 9.005 8.999 4.241 1.00 0.00 N ATOM 508 CA SER A 31 10.095 9.817 4.761 1.00 0.00 C ATOM 509 C SER A 31 10.118 11.188 4.098 1.00 0.00 C ATOM 510 O SER A 31 9.577 11.370 3.007 1.00 0.00 O ATOM 511 CB SER A 31 11.422 9.117 4.543 1.00 0.00 C ATOM 512 OG SER A 31 11.755 9.084 3.182 1.00 0.00 O ATOM 513 H SER A 31 9.223 8.192 3.673 1.00 0.00 H ATOM 514 HA SER A 31 9.938 9.962 5.830 1.00 0.00 H ATOM 515 1HB SER A 31 12.202 9.637 5.098 1.00 0.00 H ATOM 516 2HB SER A 31 11.366 8.101 4.931 1.00 0.00 H ATOM 517 HG SER A 31 11.617 8.177 2.898 1.00 0.00 H ATOM 518 N ASP A 32 10.748 12.150 4.763 1.00 0.00 N ATOM 519 CA ASP A 32 10.867 13.501 4.227 1.00 0.00 C ATOM 520 C ASP A 32 11.723 13.520 2.967 1.00 0.00 C ATOM 521 O ASP A 32 11.473 14.299 2.047 1.00 0.00 O ATOM 522 CB ASP A 32 11.468 14.443 5.273 1.00 0.00 C ATOM 523 CG ASP A 32 10.509 14.749 6.415 1.00 0.00 C ATOM 524 OD1 ASP A 32 9.339 14.487 6.269 1.00 0.00 O ATOM 525 OD2 ASP A 32 10.956 15.242 7.423 1.00 0.00 O ATOM 526 H ASP A 32 11.155 11.941 5.664 1.00 0.00 H ATOM 527 HA ASP A 32 9.869 13.863 3.977 1.00 0.00 H ATOM 528 1HB ASP A 32 12.373 13.996 5.687 1.00 0.00 H ATOM 529 2HB ASP A 32 11.754 15.381 4.797 1.00 0.00 H ATOM 530 N ASP A 33 12.733 12.657 2.931 1.00 0.00 N ATOM 531 CA ASP A 33 13.586 12.525 1.756 1.00 0.00 C ATOM 532 C ASP A 33 12.784 12.077 0.540 1.00 0.00 C ATOM 533 O ASP A 33 12.960 12.602 -0.559 1.00 0.00 O ATOM 534 CB ASP A 33 14.717 11.529 2.023 1.00 0.00 C ATOM 535 CG ASP A 33 15.764 12.066 2.990 1.00 0.00 C ATOM 536 OD1 ASP A 33 15.772 13.251 3.228 1.00 0.00 O ATOM 537 OD2 ASP A 33 16.545 11.287 3.481 1.00 0.00 O ATOM 538 H ASP A 33 12.915 12.079 3.738 1.00 0.00 H ATOM 539 HA ASP A 33 14.033 13.496 1.541 1.00 0.00 H ATOM 540 1HB ASP A 33 14.302 10.609 2.435 1.00 0.00 H ATOM 541 2HB ASP A 33 15.208 11.275 1.083 1.00 0.00 H ATOM 542 N ASP A 34 11.902 11.105 0.745 1.00 0.00 N ATOM 543 CA ASP A 34 11.031 10.624 -0.320 1.00 0.00 C ATOM 544 C ASP A 34 10.024 11.690 -0.733 1.00 0.00 C ATOM 545 O ASP A 34 9.714 11.839 -1.915 1.00 0.00 O ATOM 546 CB ASP A 34 10.290 9.359 0.122 1.00 0.00 C ATOM 547 CG ASP A 34 11.197 8.138 0.197 1.00 0.00 C ATOM 548 OD1 ASP A 34 12.256 8.171 -0.384 1.00 0.00 O ATOM 549 OD2 ASP A 34 10.822 7.183 0.835 1.00 0.00 O ATOM 550 H ASP A 34 11.833 10.689 1.663 1.00 0.00 H ATOM 551 HA ASP A 34 11.647 10.372 -1.184 1.00 0.00 H ATOM 552 1HB ASP A 34 9.844 9.523 1.103 1.00 0.00 H ATOM 553 2HB ASP A 34 9.479 9.149 -0.576 1.00 0.00 H ATOM 554 N TRP A 35 9.518 12.430 0.247 1.00 0.00 N ATOM 555 CA TRP A 35 8.607 13.537 -0.020 1.00 0.00 C ATOM 556 C TRP A 35 9.268 14.594 -0.895 1.00 0.00 C ATOM 557 O TRP A 35 8.665 15.091 -1.846 1.00 0.00 O ATOM 558 CB TRP A 35 8.142 14.173 1.291 1.00 0.00 C ATOM 559 CG TRP A 35 7.143 15.274 1.101 1.00 0.00 C ATOM 560 CD1 TRP A 35 5.786 15.147 1.074 1.00 0.00 C ATOM 561 CD2 TRP A 35 7.418 16.683 0.910 1.00 0.00 C ATOM 562 NE1 TRP A 35 5.201 16.374 0.878 1.00 0.00 N ATOM 563 CE2 TRP A 35 6.185 17.325 0.777 1.00 0.00 C ATOM 564 CE3 TRP A 35 8.596 17.438 0.842 1.00 0.00 C ATOM 565 CZ2 TRP A 35 6.088 18.693 0.578 1.00 0.00 C ATOM 566 CZ3 TRP A 35 8.498 18.810 0.643 1.00 0.00 C ATOM 567 CH2 TRP A 35 7.276 19.421 0.516 1.00 0.00 C ATOM 568 H TRP A 35 9.770 12.220 1.203 1.00 0.00 H ATOM 569 HA TRP A 35 7.733 13.147 -0.542 1.00 0.00 H ATOM 570 1HB TRP A 35 7.694 13.409 1.927 1.00 0.00 H ATOM 571 2HB TRP A 35 9.002 14.579 1.824 1.00 0.00 H ATOM 572 HD1 TRP A 35 5.246 14.210 1.190 1.00 0.00 H ATOM 573 HE1 TRP A 35 4.208 16.549 0.818 1.00 0.00 H ATOM 574 HE3 TRP A 35 9.568 16.959 0.945 1.00 0.00 H ATOM 575 HZ2 TRP A 35 5.126 19.197 0.474 1.00 0.00 H ATOM 576 HZ3 TRP A 35 9.419 19.391 0.591 1.00 0.00 H ATOM 577 HH2 TRP A 35 7.236 20.499 0.361 1.00 0.00 H ATOM 578 N LYS A 36 10.510 14.934 -0.568 1.00 0.00 N ATOM 579 CA LYS A 36 11.263 15.918 -1.337 1.00 0.00 C ATOM 580 C LYS A 36 11.536 15.421 -2.751 1.00 0.00 C ATOM 581 O LYS A 36 11.463 16.185 -3.713 1.00 0.00 O ATOM 582 CB LYS A 36 12.579 16.254 -0.634 1.00 0.00 C ATOM 583 CG LYS A 36 12.421 17.078 0.636 1.00 0.00 C ATOM 584 CD LYS A 36 13.767 17.336 1.298 1.00 0.00 C ATOM 585 CE LYS A 36 13.609 18.146 2.577 1.00 0.00 C ATOM 586 NZ LYS A 36 14.916 18.389 3.246 1.00 0.00 N ATOM 587 H LYS A 36 10.944 14.499 0.233 1.00 0.00 H ATOM 588 HA LYS A 36 10.675 16.834 -1.396 1.00 0.00 H ATOM 589 1HB LYS A 36 13.098 15.331 -0.373 1.00 0.00 H ATOM 590 2HB LYS A 36 13.224 16.809 -1.316 1.00 0.00 H ATOM 591 1HG LYS A 36 11.955 18.034 0.395 1.00 0.00 H ATOM 592 2HG LYS A 36 11.778 16.547 1.337 1.00 0.00 H ATOM 593 1HD LYS A 36 14.244 16.385 1.537 1.00 0.00 H ATOM 594 2HD LYS A 36 14.411 17.884 0.610 1.00 0.00 H ATOM 595 1HE LYS A 36 13.150 19.106 2.345 1.00 0.00 H ATOM 596 2HE LYS A 36 12.956 17.613 3.267 1.00 0.00 H ATOM 597 1HZ LYS A 36 14.769 18.927 4.088 1.00 0.00 H ATOM 598 2HZ LYS A 36 15.343 17.504 3.483 1.00 0.00 H ATOM 599 3HZ LYS A 36 15.525 18.899 2.623 1.00 0.00 H ATOM 600 N GLU A 37 11.851 14.135 -2.870 1.00 0.00 N ATOM 601 CA GLU A 37 12.009 13.503 -4.174 1.00 0.00 C ATOM 602 C GLU A 37 10.759 13.678 -5.027 1.00 0.00 C ATOM 603 O GLU A 37 10.838 14.082 -6.187 1.00 0.00 O ATOM 604 CB GLU A 37 12.324 12.015 -4.011 1.00 0.00 C ATOM 605 CG GLU A 37 12.457 11.253 -5.322 1.00 0.00 C ATOM 606 CD GLU A 37 12.685 9.780 -5.122 1.00 0.00 C ATOM 607 OE1 GLU A 37 13.125 9.405 -4.062 1.00 0.00 O ATOM 608 OE2 GLU A 37 12.418 9.029 -6.031 1.00 0.00 O ATOM 609 H GLU A 37 11.983 13.582 -2.036 1.00 0.00 H ATOM 610 HA GLU A 37 12.850 13.973 -4.687 1.00 0.00 H ATOM 611 1HB GLU A 37 13.257 11.898 -3.460 1.00 0.00 H ATOM 612 2HB GLU A 37 11.536 11.539 -3.426 1.00 0.00 H ATOM 613 1HG GLU A 37 11.547 11.392 -5.905 1.00 0.00 H ATOM 614 2HG GLU A 37 13.287 11.670 -5.890 1.00 0.00 H ATOM 615 N LEU A 38 9.605 13.370 -4.445 1.00 0.00 N ATOM 616 CA LEU A 38 8.334 13.502 -5.147 1.00 0.00 C ATOM 617 C LEU A 38 8.088 14.943 -5.575 1.00 0.00 C ATOM 618 O LEU A 38 7.615 15.199 -6.683 1.00 0.00 O ATOM 619 CB LEU A 38 7.182 13.025 -4.253 1.00 0.00 C ATOM 620 CG LEU A 38 7.149 11.520 -3.957 1.00 0.00 C ATOM 621 CD1 LEU A 38 6.122 11.238 -2.869 1.00 0.00 C ATOM 622 CD2 LEU A 38 6.818 10.759 -5.233 1.00 0.00 C ATOM 623 H LEU A 38 9.608 13.037 -3.491 1.00 0.00 H ATOM 624 HA LEU A 38 8.363 12.873 -6.037 1.00 0.00 H ATOM 625 1HB LEU A 38 7.243 13.548 -3.300 1.00 0.00 H ATOM 626 2HB LEU A 38 6.239 13.290 -4.730 1.00 0.00 H ATOM 627 HG LEU A 38 8.124 11.200 -3.587 1.00 0.00 H ATOM 628 1HD1 LEU A 38 6.099 10.168 -2.659 1.00 0.00 H ATOM 629 2HD1 LEU A 38 6.394 11.779 -1.963 1.00 0.00 H ATOM 630 3HD1 LEU A 38 5.138 11.563 -3.205 1.00 0.00 H ATOM 631 1HD2 LEU A 38 6.795 9.689 -5.023 1.00 0.00 H ATOM 632 2HD2 LEU A 38 5.843 11.077 -5.603 1.00 0.00 H ATOM 633 3HD2 LEU A 38 7.577 10.965 -5.987 1.00 0.00 H ATOM 634 N LYS A 39 8.412 15.881 -4.692 1.00 0.00 N ATOM 635 CA LYS A 39 8.299 17.300 -5.006 1.00 0.00 C ATOM 636 C LYS A 39 9.151 17.666 -6.215 1.00 0.00 C ATOM 637 O LYS A 39 8.712 18.408 -7.094 1.00 0.00 O ATOM 638 CB LYS A 39 8.706 18.150 -3.800 1.00 0.00 C ATOM 639 CG LYS A 39 8.650 19.652 -4.042 1.00 0.00 C ATOM 640 CD LYS A 39 8.965 20.428 -2.772 1.00 0.00 C ATOM 641 CE LYS A 39 9.268 21.888 -3.074 1.00 0.00 C ATOM 642 NZ LYS A 39 8.099 22.587 -3.673 1.00 0.00 N ATOM 643 H LYS A 39 8.744 15.604 -3.780 1.00 0.00 H ATOM 644 HA LYS A 39 7.256 17.523 -5.233 1.00 0.00 H ATOM 645 1HB LYS A 39 8.052 17.922 -2.958 1.00 0.00 H ATOM 646 2HB LYS A 39 9.723 17.896 -3.503 1.00 0.00 H ATOM 647 1HG LYS A 39 9.373 19.924 -4.812 1.00 0.00 H ATOM 648 2HG LYS A 39 7.655 19.928 -4.389 1.00 0.00 H ATOM 649 1HD LYS A 39 8.113 20.376 -2.093 1.00 0.00 H ATOM 650 2HD LYS A 39 9.828 19.983 -2.278 1.00 0.00 H ATOM 651 1HE LYS A 39 9.550 22.399 -2.155 1.00 0.00 H ATOM 652 2HE LYS A 39 10.106 21.949 -3.769 1.00 0.00 H ATOM 653 1HZ LYS A 39 8.340 23.550 -3.858 1.00 0.00 H ATOM 654 2HZ LYS A 39 7.840 22.132 -4.537 1.00 0.00 H ATOM 655 3HZ LYS A 39 7.321 22.554 -3.029 1.00 0.00 H ATOM 656 N LYS A 40 10.371 17.141 -6.254 1.00 0.00 N ATOM 657 CA LYS A 40 11.273 17.383 -7.373 1.00 0.00 C ATOM 658 C LYS A 40 10.735 16.767 -8.658 1.00 0.00 C ATOM 659 O LYS A 40 10.902 17.324 -9.743 1.00 0.00 O ATOM 660 CB LYS A 40 12.666 16.828 -7.068 1.00 0.00 C ATOM 661 CG LYS A 40 13.429 17.599 -5.999 1.00 0.00 C ATOM 662 CD LYS A 40 14.782 16.962 -5.718 1.00 0.00 C ATOM 663 CE LYS A 40 15.539 17.721 -4.638 1.00 0.00 C ATOM 664 NZ LYS A 40 16.855 17.096 -4.337 1.00 0.00 N ATOM 665 H LYS A 40 10.681 16.560 -5.489 1.00 0.00 H ATOM 666 HA LYS A 40 11.369 18.460 -7.515 1.00 0.00 H ATOM 667 1HB LYS A 40 12.581 15.793 -6.737 1.00 0.00 H ATOM 668 2HB LYS A 40 13.267 16.833 -7.977 1.00 0.00 H ATOM 669 1HG LYS A 40 13.584 18.627 -6.332 1.00 0.00 H ATOM 670 2HG LYS A 40 12.847 17.618 -5.078 1.00 0.00 H ATOM 671 1HD LYS A 40 14.637 15.931 -5.392 1.00 0.00 H ATOM 672 2HD LYS A 40 15.378 16.956 -6.630 1.00 0.00 H ATOM 673 1HE LYS A 40 15.704 18.747 -4.964 1.00 0.00 H ATOM 674 2HE LYS A 40 14.945 17.744 -3.725 1.00 0.00 H ATOM 675 1HZ LYS A 40 17.324 17.628 -3.618 1.00 0.00 H ATOM 676 2HZ LYS A 40 16.713 16.148 -4.016 1.00 0.00 H ATOM 677 3HZ LYS A 40 17.423 17.086 -5.172 1.00 0.00 H ATOM 678 N ARG A 41 10.087 15.614 -8.530 1.00 0.00 N ATOM 679 CA ARG A 41 9.490 14.939 -9.675 1.00 0.00 C ATOM 680 C ARG A 41 8.321 15.738 -10.238 1.00 0.00 C ATOM 681 O ARG A 41 8.100 15.763 -11.449 1.00 0.00 O ATOM 682 CB ARG A 41 9.009 13.548 -9.287 1.00 0.00 C ATOM 683 CG ARG A 41 10.116 12.536 -9.038 1.00 0.00 C ATOM 684 CD ARG A 41 9.570 11.209 -8.652 1.00 0.00 C ATOM 685 NE ARG A 41 10.625 10.253 -8.360 1.00 0.00 N ATOM 686 CZ ARG A 41 11.271 9.519 -9.287 1.00 0.00 C ATOM 687 NH1 ARG A 41 10.959 9.643 -10.558 1.00 0.00 N ATOM 688 NH2 ARG A 41 12.218 8.674 -8.919 1.00 0.00 N ATOM 689 H ARG A 41 10.006 15.195 -7.614 1.00 0.00 H ATOM 690 HA ARG A 41 10.250 14.837 -10.451 1.00 0.00 H ATOM 691 1HB ARG A 41 8.410 13.611 -8.380 1.00 0.00 H ATOM 692 2HB ARG A 41 8.370 13.151 -10.075 1.00 0.00 H ATOM 693 1HG ARG A 41 10.707 12.412 -9.945 1.00 0.00 H ATOM 694 2HG ARG A 41 10.759 12.890 -8.231 1.00 0.00 H ATOM 695 1HD ARG A 41 8.950 11.316 -7.762 1.00 0.00 H ATOM 696 2HD ARG A 41 8.967 10.813 -9.468 1.00 0.00 H ATOM 697 HE ARG A 41 10.893 10.129 -7.392 1.00 0.00 H ATOM 698 1HH1 ARG A 41 10.235 10.289 -10.839 1.00 0.00 H ATOM 699 2HH1 ARG A 41 11.443 9.093 -11.253 1.00 0.00 H ATOM 700 1HH2 ARG A 41 12.458 8.578 -7.941 1.00 0.00 H ATOM 701 2HH2 ARG A 41 12.702 8.124 -9.613 1.00 0.00 H ATOM 702 N VAL A 42 7.576 16.389 -9.353 1.00 0.00 N ATOM 703 CA VAL A 42 6.480 17.258 -9.765 1.00 0.00 C ATOM 704 C VAL A 42 7.003 18.532 -10.417 1.00 0.00 C ATOM 705 O VAL A 42 6.503 18.958 -11.459 1.00 0.00 O ATOM 706 CB VAL A 42 5.605 17.627 -8.553 1.00 0.00 C ATOM 707 CG1 VAL A 42 4.595 18.700 -8.932 1.00 0.00 C ATOM 708 CG2 VAL A 42 4.902 16.386 -8.025 1.00 0.00 C ATOM 709 H VAL A 42 7.773 16.280 -8.368 1.00 0.00 H ATOM 710 HA VAL A 42 5.866 16.721 -10.490 1.00 0.00 H ATOM 711 HB VAL A 42 6.240 18.046 -7.772 1.00 0.00 H ATOM 712 1HG1 VAL A 42 3.985 18.949 -8.063 1.00 0.00 H ATOM 713 2HG1 VAL A 42 5.121 19.591 -9.273 1.00 0.00 H ATOM 714 3HG1 VAL A 42 3.952 18.329 -9.731 1.00 0.00 H ATOM 715 1HG2 VAL A 42 4.285 16.654 -7.167 1.00 0.00 H ATOM 716 2HG2 VAL A 42 4.271 15.965 -8.808 1.00 0.00 H ATOM 717 3HG2 VAL A 42 5.645 15.649 -7.721 1.00 0.00 H ATOM 718 N SER A 43 8.011 19.137 -9.798 1.00 0.00 N ATOM 719 CA SER A 43 8.593 20.372 -10.309 1.00 0.00 C ATOM 720 C SER A 43 9.233 20.156 -11.674 1.00 0.00 C ATOM 721 O SER A 43 9.713 19.065 -11.980 1.00 0.00 O ATOM 722 OXT SER A 43 9.273 21.056 -12.467 1.00 0.00 O ATOM 723 CB SER A 43 9.626 20.904 -9.335 1.00 0.00 C ATOM 724 OG SER A 43 10.256 22.047 -9.845 1.00 0.00 O ATOM 725 H SER A 43 8.384 18.730 -8.952 1.00 0.00 H ATOM 726 HA SER A 43 7.796 21.107 -10.426 1.00 0.00 H ATOM 727 1HB SER A 43 9.144 21.144 -8.388 1.00 0.00 H ATOM 728 2HB SER A 43 10.370 20.133 -9.137 1.00 0.00 H ATOM 729 HG SER A 43 11.189 21.828 -9.909 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE nods_bigger.blueprint.34_try202_pass_20150519214801_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 rama omega fa_dun p_aa_pp ref total weights 0.8 0.44 0.75 0.004 0.7 1 1.17 1.17 1.17 1.1 1 0.2 0.5 0.56 0.32 1 NA pose -169.774 15.4655 94.0719 0.27959 -17.9055 0.15932 -24.0026 -2.02406 -1.19555 -4.68152 0 -6.49367 2.75842 40.7602 -4.97297 -11.8682 -89.423 PRO:NtermProteinFull_1 -1.82039 0.17461 0.96504 0.00433 0.04651 0.15932 0 0 0 0 0 0 0 0.0837 0 -0.21929 -0.60617 LYS_2 -2.89892 0.28697 1.59587 0.0031 -0.2337 0 0 0 0 0 0 -0.27842 0.12964 0.74382 -0.03941 -0.28737 -0.97842 ASP_3 -2.59149 0.32206 1.55221 0.00334 -0.05298 0 0 0 0 0 0 -0.02697 0.03768 1.31991 0.05798 -1.28682 -0.66507 GLN_4 -4.26353 0.3804 2.81479 0.00709 -0.26486 0 0 0 0 -0.30023 0 -0.18751 0.08319 2.01307 -0.14095 -1.17797 -1.03652 ALA_5 -4.19288 0.57683 1.67961 0.00073 -0.19318 0 0 0 0 0 0 -0.10289 0.02357 0 -0.15738 0.59294 -1.77265 LYS_6 -5.31051 0.40687 2.7665 0.0031 -0.83863 0 0 0 0 0 0 -0.2349 0.07957 0.78625 -0.04255 -0.28737 -2.67167 LYS_7 -4.36228 0.40022 2.73984 0.0031 -0.3029 0 0 0 0 0 0 -0.20527 0.00237 0.80552 -0.04818 -0.28737 -1.25496 GLU_8 -4.82975 0.31456 3.30577 0.00559 -1.41091 0 0 0 0 -0.79011 0 -0.24185 0.26696 2.44093 -0.16426 -1.55374 -2.65681 ILE_9 -6.47065 0.74698 2.04912 0.02044 -0.27909 0 0 0 0 0 0 -0.01779 0.06919 0.07589 -0.09139 0.8318 -3.06551 GLU_10 -5.16687 0.43814 3.21959 0.00687 -1.24261 0 0 0 0 -0.60689 0 -0.14077 0.01981 2.34809 -0.0881 -1.55374 -2.7665 LYS_11 -4.62442 0.45622 3.28587 0.0031 -1.04347 0 0 0 0 -0.48988 0 -0.07236 0.00158 1.03672 -0.03883 -0.28737 -1.77284 ALA_12 -4.48593 0.239 2.084 0.00074 -0.25391 0 0 0 0 0 0 -0.18608 0.02413 0 -0.19305 0.59294 -2.17816 LEU_13 -5.65916 0.68368 1.84731 0.00621 -0.12238 0 0 0 0 0 0 -0.11354 0.01262 0.28947 -0.11941 0.60233 -2.57288 ARG_14 -4.20614 0.49594 2.80537 0.00957 -1.00514 0 0 0 0 -0.60689 0 -0.25131 0.05101 1.533 -0.09432 -0.14916 -1.41807 ASN_15 -2.605 0.27675 1.70473 0.00349 -0.0476 0 0 0 0 0 0 -0.2099 3e-05 1.23029 -0.05955 -0.94198 -0.64872 GLY_16 -1.26627 0.37545 0.83139 1e-05 -0.07542 0 0 0 0 0 0 -0.36735 0.00745 0 -0.79691 0.14053 -1.15111 ASP_17 -3.95429 0.33596 2.94267 0.01732 -0.75011 0 0 0 -0.29877 0 0 0.15889 0.04227 1.44539 -0.14732 -1.28682 -1.49481 GLU_18 -3.62418 0.30297 2.51931 0.00443 -1.03635 0 0 0 0 -0.20492 0 -0.28284 0.01595 2.1483 -0.14317 -1.55374 -1.85423 GLU_19 -3.50992 0.44752 2.57062 0.00712 -0.87756 0 0 0 0 -0.29803 0 -0.02567 0.0692 2.05256 -0.11387 -1.55374 -1.23177 LYS_20 -4.25523 0.45075 2.29947 0.00563 -0.54975 0 0 0 -0.29877 0 0 -0.17156 0.00237 0.90558 -0.04716 -0.28737 -1.94604 ALA_21 -5.01924 0.51031 2.13231 0.00073 -0.12634 0 0 0 0 0 0 -0.12342 0.01777 0 -0.17051 0.59294 -2.18543 LYS_22 -4.72977 0.3599 2.55964 0.00308 -0.36772 0 0 0 0 0 0 -0.22076 0.0323 0.77285 -0.03406 -0.28737 -1.91192 ARG_23 -4.32764 0.30332 2.71923 0.00956 -0.90557 0 0 0 0 -0.29803 0 -0.21106 0.05188 1.64644 -0.08431 -0.14916 -1.24533 LEU_24 -5.32311 0.44898 2.06851 0.00647 -0.29946 0 0 0 0 0 0 -0.11671 0.11589 0.24081 -0.12027 0.60233 -2.37656 ALA_25 -4.22675 0.39127 2.02518 0.00073 -0.35044 0 0 0 0 0 0 -0.14962 0.04568 0 -0.1765 0.59294 -1.84751 LYS_26 -2.54339 0.18002 1.404 0.00312 0.04837 0 0 0 0 0 0 -0.24274 0.00821 0.75293 -0.03803 -0.28737 -0.71489 LYS_27 -3.31765 0.19613 1.61806 0.00547 -0.16423 0 0 0 0 0 0 -0.1176 0.57043 0.89688 -0.03077 -0.28737 -0.63064 TYR_28 -4.3536 0.40689 1.56261 0.02302 -0.20745 0 0 0 0 0 0 -0.12743 0.15636 1.43575 -0.11538 0.1317 -1.08752 GLY_29 -1.61898 0.11855 1.14731 3e-05 -0.00732 0 0 0 0 0 0 -0.09968 0.04863 0 -0.78961 0.14053 -1.06054 ILE_30 -4.19949 0.36233 1.11727 0.01972 0.03116 0 0 0 0 0 0 -0.23063 0.24255 0.70036 -0.22477 0.8318 -1.34969 SER_31 -2.76993 0.26919 2.30881 0.00159 -0.67497 0 0 0 -0.29901 0 0 -0.28889 0.00826 0.1696 -0.21441 0.17658 -1.31316 ASP_32 -2.36494 0.18645 1.61537 0.00336 -0.27263 0 0 0 0 0 0 -0.1709 0.05164 1.29283 0.00103 -1.28682 -0.94461 ASP_33 -2.5583 0.19948 1.83897 0.00334 -0.18248 0 0 0 0 0 0 -0.09504 0.03577 1.29332 0.0566 -1.28682 -0.69517 ASP_34 -4.40619 0.373 3.58267 0.00336 -0.86947 0 0 0 -0.29901 0 0 -0.15481 0.0716 1.3223 0.01698 -1.28682 -1.64642 TRP_35 -7.50605 0.43374 3.38344 0.02604 -0.22254 0 0 0 0 0 0 -0.12221 0.00491 1.2464 -0.02742 0.92933 -1.85436 LYS_36 -4.07742 0.37864 2.1612 0.00308 -0.3163 0 0 0 0 0 0 -0.21906 0.18153 0.78452 -0.04208 -0.28737 -1.43327 GLU_37 -4.36246 0.37182 3.01066 0.00789 -0.92372 0 0 0 0 -0.4408 0 -0.08473 0.00109 2.35124 -0.10213 -1.55374 -1.72489 LEU_38 -5.61785 0.57756 2.16007 0.00621 -0.33077 0 0 0 0 0 0 -0.09393 0.06479 0.32387 -0.12249 0.60233 -2.43021 LYS_39 -4.35377 0.37646 2.54987 0.00723 -1.17701 0 0 0 0 -0.20492 0 -0.16773 0.01404 1.68025 -0.04653 -0.28737 -1.60949 LYS_40 -3.09585 0.23827 1.81863 0.00311 0.11295 0 0 0 0 0 0 -0.25222 0.01582 0.73809 -0.03554 -0.28737 -0.74412 ARG_41 -3.53602 0.22767 2.49014 0.00954 -0.78907 0 0 0 0 -0.4408 0 -0.22854 0.07806 1.56284 -0.10143 -0.14916 -0.87677 VAL_42 -3.67027 0.39106 1.8176 0.01587 0.26018 0 0 0 0 0 0 -0.01787 0.00261 0.04567 -0.10351 0.74484 -0.51382 SER:CtermProteinFull_43 -1.69746 0.05261 1.40128 0.00171 0.36339 0 0 0 0 0 0 0 0 0.24478 0 0.17658 0.5429 #END_POSE_ENERGIES_TABLE nods_bigger.blueprint.34_try202_pass_20150519214801_0001.pdb AlaCount 4 bb -0.0470603 buried_minus_exposed 3644.73 buried_np 5264.36 buried_over_exposed 3.25032 cavity_volume 0 contact_all 244 contact_core_SASA 244 contact_core_SCN 244 degree 10.1163 degree_core_SASA 10.1163 degree_core_SCN 10.1163 exposed_hydrophobics 1619.64 holes 1.23121 mismatch_probability 0.126405 one_core_each 1 pack 0.673218 percent_core_SASA 0.0697512 percent_core_SCN 0.162753 res_count_core_SASA 3 res_count_core_SCN 7 ss_sc 0.784679 two_core_each 1 unsat_hbond 2
HHH_rd2_0182.pdb
ATOM 1 N THR A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA THR A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C THR A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O THR A 1 2.927 1.740 0.755 1.00 0.00 O ATOM 5 CB THR A 1 2.012 -0.770 -1.213 1.00 0.00 C ATOM 6 OG1 THR A 1 1.549 -2.126 -1.174 1.00 0.00 O ATOM 7 CG2 THR A 1 3.533 -0.758 -1.203 1.00 0.00 C ATOM 8 1H THR A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 9 2H THR A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 10 3H THR A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 11 HA THR A 1 1.820 -0.555 0.878 1.00 0.00 H ATOM 12 HB THR A 1 1.657 -0.305 -2.132 1.00 0.00 H ATOM 13 HG1 THR A 1 1.624 -2.514 -2.049 1.00 0.00 H ATOM 14 1HG2 THR A 1 3.907 -1.306 -2.067 1.00 0.00 H ATOM 15 2HG2 THR A 1 3.889 0.272 -1.244 1.00 0.00 H ATOM 16 3HG2 THR A 1 3.895 -1.230 -0.290 1.00 0.00 H ATOM 17 N ASP A 2 1.443 2.269 -0.851 1.00 0.00 N ATOM 18 CA ASP A 2 1.928 3.635 -1.008 1.00 0.00 C ATOM 19 C ASP A 2 1.900 4.384 0.318 1.00 0.00 C ATOM 20 O ASP A 2 2.820 5.139 0.635 1.00 0.00 O ATOM 21 CB ASP A 2 1.089 4.387 -2.043 1.00 0.00 C ATOM 22 CG ASP A 2 1.335 3.907 -3.467 1.00 0.00 C ATOM 23 OD1 ASP A 2 2.306 3.221 -3.682 1.00 0.00 O ATOM 24 OD2 ASP A 2 0.551 4.232 -4.326 1.00 0.00 O ATOM 25 H ASP A 2 0.657 1.960 -1.405 1.00 0.00 H ATOM 26 HA ASP A 2 2.957 3.598 -1.367 1.00 0.00 H ATOM 27 1HB ASP A 2 0.030 4.265 -1.812 1.00 0.00 H ATOM 28 2HB ASP A 2 1.314 5.453 -1.990 1.00 0.00 H ATOM 29 N LYS A 3 0.840 4.172 1.090 1.00 0.00 N ATOM 30 CA LYS A 3 0.721 4.777 2.411 1.00 0.00 C ATOM 31 C LYS A 3 1.882 4.370 3.310 1.00 0.00 C ATOM 32 O LYS A 3 2.487 5.210 3.977 1.00 0.00 O ATOM 33 CB LYS A 3 -0.608 4.387 3.061 1.00 0.00 C ATOM 34 CG LYS A 3 -0.834 4.990 4.441 1.00 0.00 C ATOM 35 CD LYS A 3 -2.193 4.596 5.000 1.00 0.00 C ATOM 36 CE LYS A 3 -2.404 5.164 6.396 1.00 0.00 C ATOM 37 NZ LYS A 3 -3.734 4.794 6.952 1.00 0.00 N ATOM 38 H LYS A 3 0.098 3.576 0.753 1.00 0.00 H ATOM 39 HA LYS A 3 0.730 5.861 2.298 1.00 0.00 H ATOM 40 1HB LYS A 3 -1.432 4.701 2.420 1.00 0.00 H ATOM 41 2HB LYS A 3 -0.663 3.303 3.156 1.00 0.00 H ATOM 42 1HG LYS A 3 -0.056 4.643 5.122 1.00 0.00 H ATOM 43 2HG LYS A 3 -0.778 6.076 4.377 1.00 0.00 H ATOM 44 1HD LYS A 3 -2.980 4.969 4.342 1.00 0.00 H ATOM 45 2HD LYS A 3 -2.267 3.510 5.045 1.00 0.00 H ATOM 46 1HE LYS A 3 -1.628 4.789 7.062 1.00 0.00 H ATOM 47 2HE LYS A 3 -2.329 6.251 6.362 1.00 0.00 H ATOM 48 1HZ LYS A 3 -3.834 5.189 7.877 1.00 0.00 H ATOM 49 2HZ LYS A 3 -4.463 5.153 6.352 1.00 0.00 H ATOM 50 3HZ LYS A 3 -3.808 3.788 7.007 1.00 0.00 H ATOM 51 N ALA A 4 2.188 3.078 3.324 1.00 0.00 N ATOM 52 CA ALA A 4 3.292 2.560 4.124 1.00 0.00 C ATOM 53 C ALA A 4 4.619 3.169 3.691 1.00 0.00 C ATOM 54 O ALA A 4 5.472 3.479 4.522 1.00 0.00 O ATOM 55 CB ALA A 4 3.350 1.043 4.029 1.00 0.00 C ATOM 56 H ALA A 4 1.643 2.437 2.765 1.00 0.00 H ATOM 57 HA ALA A 4 3.113 2.819 5.169 1.00 0.00 H ATOM 58 1HB ALA A 4 4.178 0.672 4.632 1.00 0.00 H ATOM 59 2HB ALA A 4 2.415 0.619 4.398 1.00 0.00 H ATOM 60 3HB ALA A 4 3.496 0.749 2.991 1.00 0.00 H ATOM 61 N ARG A 5 4.788 3.337 2.384 1.00 0.00 N ATOM 62 CA ARG A 5 5.991 3.958 1.840 1.00 0.00 C ATOM 63 C ARG A 5 6.142 5.391 2.334 1.00 0.00 C ATOM 64 O ARG A 5 7.232 5.810 2.725 1.00 0.00 O ATOM 65 CB ARG A 5 5.956 3.950 0.319 1.00 0.00 C ATOM 66 CG ARG A 5 6.078 2.574 -0.317 1.00 0.00 C ATOM 67 CD ARG A 5 5.892 2.631 -1.789 1.00 0.00 C ATOM 68 NE ARG A 5 6.949 3.386 -2.441 1.00 0.00 N ATOM 69 CZ ARG A 5 8.150 2.882 -2.785 1.00 0.00 C ATOM 70 NH1 ARG A 5 8.430 1.622 -2.533 1.00 0.00 N ATOM 71 NH2 ARG A 5 9.046 3.653 -3.376 1.00 0.00 N ATOM 72 H ARG A 5 4.065 3.027 1.750 1.00 0.00 H ATOM 73 HA ARG A 5 6.856 3.381 2.168 1.00 0.00 H ATOM 74 1HB ARG A 5 5.022 4.390 -0.026 1.00 0.00 H ATOM 75 2HB ARG A 5 6.770 4.565 -0.067 1.00 0.00 H ATOM 76 1HG ARG A 5 7.068 2.165 -0.112 1.00 0.00 H ATOM 77 2HG ARG A 5 5.319 1.912 0.100 1.00 0.00 H ATOM 78 1HD ARG A 5 5.895 1.620 -2.195 1.00 0.00 H ATOM 79 2HD ARG A 5 4.940 3.110 -2.017 1.00 0.00 H ATOM 80 HE ARG A 5 6.770 4.360 -2.651 1.00 0.00 H ATOM 81 1HH1 ARG A 5 7.745 1.033 -2.082 1.00 0.00 H ATOM 82 2HH1 ARG A 5 9.330 1.244 -2.791 1.00 0.00 H ATOM 83 1HH2 ARG A 5 8.830 4.621 -3.570 1.00 0.00 H ATOM 84 2HH2 ARG A 5 9.945 3.275 -3.634 1.00 0.00 H ATOM 85 N GLU A 6 5.044 6.138 2.314 1.00 0.00 N ATOM 86 CA GLU A 6 5.032 7.497 2.840 1.00 0.00 C ATOM 87 C GLU A 6 5.406 7.520 4.316 1.00 0.00 C ATOM 88 O GLU A 6 6.224 8.334 4.747 1.00 0.00 O ATOM 89 CB GLU A 6 3.655 8.134 2.643 1.00 0.00 C ATOM 90 CG GLU A 6 3.538 9.557 3.171 1.00 0.00 C ATOM 91 CD GLU A 6 2.178 10.155 2.944 1.00 0.00 C ATOM 92 OE1 GLU A 6 1.422 9.595 2.187 1.00 0.00 O ATOM 93 OE2 GLU A 6 1.894 11.174 3.529 1.00 0.00 O ATOM 94 H GLU A 6 4.195 5.753 1.925 1.00 0.00 H ATOM 95 HA GLU A 6 5.761 8.089 2.285 1.00 0.00 H ATOM 96 1HB GLU A 6 3.410 8.150 1.581 1.00 0.00 H ATOM 97 2HB GLU A 6 2.899 7.528 3.144 1.00 0.00 H ATOM 98 1HG GLU A 6 3.748 9.555 4.240 1.00 0.00 H ATOM 99 2HG GLU A 6 4.288 10.177 2.683 1.00 0.00 H ATOM 100 N ILE A 7 4.803 6.623 5.088 1.00 0.00 N ATOM 101 CA ILE A 7 5.055 6.553 6.523 1.00 0.00 C ATOM 102 C ILE A 7 6.531 6.316 6.813 1.00 0.00 C ATOM 103 O ILE A 7 7.121 6.979 7.666 1.00 0.00 O ATOM 104 CB ILE A 7 4.217 5.438 7.174 1.00 0.00 C ATOM 105 CG1 ILE A 7 2.730 5.800 7.145 1.00 0.00 C ATOM 106 CG2 ILE A 7 4.680 5.189 8.601 1.00 0.00 C ATOM 107 CD1 ILE A 7 1.814 4.646 7.482 1.00 0.00 C ATOM 108 H ILE A 7 4.154 5.971 4.671 1.00 0.00 H ATOM 109 HA ILE A 7 4.758 7.502 6.972 1.00 0.00 H ATOM 110 HB ILE A 7 4.328 4.518 6.601 1.00 0.00 H ATOM 111 1HG1 ILE A 7 2.538 6.606 7.853 1.00 0.00 H ATOM 112 2HG1 ILE A 7 2.464 6.167 6.153 1.00 0.00 H ATOM 113 1HG2 ILE A 7 4.077 4.398 9.047 1.00 0.00 H ATOM 114 2HG2 ILE A 7 5.727 4.889 8.597 1.00 0.00 H ATOM 115 3HG2 ILE A 7 4.568 6.103 9.185 1.00 0.00 H ATOM 116 1HD1 ILE A 7 0.777 4.981 7.440 1.00 0.00 H ATOM 117 2HD1 ILE A 7 1.964 3.840 6.763 1.00 0.00 H ATOM 118 3HD1 ILE A 7 2.037 4.285 8.485 1.00 0.00 H ATOM 119 N ALA A 8 7.124 5.367 6.097 1.00 0.00 N ATOM 120 CA ALA A 8 8.537 5.049 6.266 1.00 0.00 C ATOM 121 C ALA A 8 9.414 6.252 5.946 1.00 0.00 C ATOM 122 O ALA A 8 10.387 6.528 6.648 1.00 0.00 O ATOM 123 CB ALA A 8 8.923 3.866 5.391 1.00 0.00 C ATOM 124 H ALA A 8 6.582 4.852 5.418 1.00 0.00 H ATOM 125 HA ALA A 8 8.705 4.760 7.304 1.00 0.00 H ATOM 126 1HB ALA A 8 9.980 3.641 5.528 1.00 0.00 H ATOM 127 2HB ALA A 8 8.327 2.996 5.671 1.00 0.00 H ATOM 128 3HB ALA A 8 8.737 4.111 4.346 1.00 0.00 H ATOM 129 N GLN A 9 9.064 6.967 4.882 1.00 0.00 N ATOM 130 CA GLN A 9 9.800 8.162 4.487 1.00 0.00 C ATOM 131 C GLN A 9 9.700 9.248 5.551 1.00 0.00 C ATOM 132 O GLN A 9 10.687 9.912 5.868 1.00 0.00 O ATOM 133 CB GLN A 9 9.279 8.694 3.148 1.00 0.00 C ATOM 134 CG GLN A 9 9.624 7.819 1.955 1.00 0.00 C ATOM 135 CD GLN A 9 8.954 8.291 0.679 1.00 0.00 C ATOM 136 OE1 GLN A 9 7.917 8.960 0.716 1.00 0.00 O ATOM 137 NE2 GLN A 9 9.542 7.945 -0.461 1.00 0.00 N ATOM 138 H GLN A 9 8.268 6.675 4.333 1.00 0.00 H ATOM 139 HA GLN A 9 10.849 7.896 4.356 1.00 0.00 H ATOM 140 1HB GLN A 9 8.194 8.790 3.192 1.00 0.00 H ATOM 141 2HB GLN A 9 9.689 9.687 2.967 1.00 0.00 H ATOM 142 1HG GLN A 9 10.703 7.840 1.802 1.00 0.00 H ATOM 143 2HG GLN A 9 9.295 6.800 2.157 1.00 0.00 H ATOM 144 1HE2 GLN A 9 9.146 8.228 -1.335 1.00 0.00 H ATOM 145 2HE2 GLN A 9 10.382 7.402 -0.445 1.00 0.00 H ATOM 146 N ARG A 10 8.503 9.423 6.100 1.00 0.00 N ATOM 147 CA ARG A 10 8.282 10.400 7.159 1.00 0.00 C ATOM 148 C ARG A 10 9.063 10.037 8.416 1.00 0.00 C ATOM 149 O ARG A 10 9.632 10.906 9.078 1.00 0.00 O ATOM 150 CB ARG A 10 6.802 10.498 7.497 1.00 0.00 C ATOM 151 CG ARG A 10 5.951 11.194 6.447 1.00 0.00 C ATOM 152 CD ARG A 10 4.530 11.295 6.870 1.00 0.00 C ATOM 153 NE ARG A 10 3.703 11.916 5.848 1.00 0.00 N ATOM 154 CZ ARG A 10 3.572 13.246 5.673 1.00 0.00 C ATOM 155 NH1 ARG A 10 4.218 14.079 6.459 1.00 0.00 N ATOM 156 NH2 ARG A 10 2.793 13.712 4.713 1.00 0.00 N ATOM 157 H ARG A 10 7.727 8.865 5.775 1.00 0.00 H ATOM 158 HA ARG A 10 8.620 11.375 6.807 1.00 0.00 H ATOM 159 1HB ARG A 10 6.395 9.498 7.641 1.00 0.00 H ATOM 160 2HB ARG A 10 6.677 11.040 8.435 1.00 0.00 H ATOM 161 1HG ARG A 10 6.331 12.201 6.279 1.00 0.00 H ATOM 162 2HG ARG A 10 5.991 10.630 5.514 1.00 0.00 H ATOM 163 1HD ARG A 10 4.137 10.299 7.068 1.00 0.00 H ATOM 164 2HD ARG A 10 4.463 11.898 7.775 1.00 0.00 H ATOM 165 HE ARG A 10 3.190 11.307 5.224 1.00 0.00 H ATOM 166 1HH1 ARG A 10 4.813 13.722 7.193 1.00 0.00 H ATOM 167 2HH1 ARG A 10 4.119 15.075 6.328 1.00 0.00 H ATOM 168 1HH2 ARG A 10 2.296 13.071 4.109 1.00 0.00 H ATOM 169 2HH2 ARG A 10 2.695 14.708 4.582 1.00 0.00 H ATOM 170 N ALA A 11 9.088 8.749 8.739 1.00 0.00 N ATOM 171 CA ALA A 11 9.854 8.260 9.879 1.00 0.00 C ATOM 172 C ALA A 11 11.335 8.584 9.728 1.00 0.00 C ATOM 173 O ALA A 11 11.991 8.998 10.684 1.00 0.00 O ATOM 174 CB ALA A 11 9.655 6.760 10.047 1.00 0.00 C ATOM 175 H ALA A 11 8.563 8.091 8.181 1.00 0.00 H ATOM 176 HA ALA A 11 9.480 8.746 10.781 1.00 0.00 H ATOM 177 1HB ALA A 11 10.233 6.410 10.903 1.00 0.00 H ATOM 178 2HB ALA A 11 8.599 6.550 10.213 1.00 0.00 H ATOM 179 3HB ALA A 11 9.991 6.246 9.148 1.00 0.00 H ATOM 180 N LYS A 12 11.857 8.393 8.521 1.00 0.00 N ATOM 181 CA LYS A 12 13.235 8.758 8.216 1.00 0.00 C ATOM 182 C LYS A 12 13.461 10.254 8.394 1.00 0.00 C ATOM 183 O LYS A 12 14.469 10.677 8.958 1.00 0.00 O ATOM 184 CB LYS A 12 13.598 8.337 6.791 1.00 0.00 C ATOM 185 CG LYS A 12 15.067 8.522 6.435 1.00 0.00 C ATOM 186 CD LYS A 12 15.363 8.017 5.031 1.00 0.00 C ATOM 187 CE LYS A 12 16.848 8.105 4.712 1.00 0.00 C ATOM 188 NZ LYS A 12 17.140 7.714 3.306 1.00 0.00 N ATOM 189 H LYS A 12 11.284 7.984 7.796 1.00 0.00 H ATOM 190 HA LYS A 12 13.895 8.221 8.898 1.00 0.00 H ATOM 191 1HB LYS A 12 13.348 7.286 6.647 1.00 0.00 H ATOM 192 2HB LYS A 12 13.006 8.914 6.079 1.00 0.00 H ATOM 193 1HG LYS A 12 15.325 9.580 6.493 1.00 0.00 H ATOM 194 2HG LYS A 12 15.685 7.976 7.146 1.00 0.00 H ATOM 195 1HD LYS A 12 15.042 6.978 4.942 1.00 0.00 H ATOM 196 2HD LYS A 12 14.810 8.613 4.305 1.00 0.00 H ATOM 197 1HE LYS A 12 17.194 9.125 4.871 1.00 0.00 H ATOM 198 2HE LYS A 12 17.403 7.448 5.380 1.00 0.00 H ATOM 199 1HZ LYS A 12 18.133 7.785 3.135 1.00 0.00 H ATOM 200 2HZ LYS A 12 16.839 6.761 3.152 1.00 0.00 H ATOM 201 3HZ LYS A 12 16.645 8.328 2.675 1.00 0.00 H ATOM 202 N LYS A 13 12.515 11.052 7.908 1.00 0.00 N ATOM 203 CA LYS A 13 12.599 12.502 8.031 1.00 0.00 C ATOM 204 C LYS A 13 12.510 12.938 9.488 1.00 0.00 C ATOM 205 O LYS A 13 13.034 13.986 9.865 1.00 0.00 O ATOM 206 CB LYS A 13 11.495 13.174 7.212 1.00 0.00 C ATOM 207 CG LYS A 13 11.679 13.069 5.704 1.00 0.00 C ATOM 208 CD LYS A 13 10.520 13.716 4.960 1.00 0.00 C ATOM 209 CE LYS A 13 10.698 13.606 3.453 1.00 0.00 C ATOM 210 NZ LYS A 13 9.563 14.220 2.712 1.00 0.00 N ATOM 211 H LYS A 13 11.718 10.643 7.443 1.00 0.00 H ATOM 212 HA LYS A 13 13.558 12.828 7.626 1.00 0.00 H ATOM 213 1HB LYS A 13 10.533 12.728 7.464 1.00 0.00 H ATOM 214 2HB LYS A 13 11.444 14.232 7.470 1.00 0.00 H ATOM 215 1HG LYS A 13 12.607 13.563 5.415 1.00 0.00 H ATOM 216 2HG LYS A 13 11.742 12.019 5.417 1.00 0.00 H ATOM 217 1HD LYS A 13 9.587 13.228 5.244 1.00 0.00 H ATOM 218 2HD LYS A 13 10.456 14.769 5.233 1.00 0.00 H ATOM 219 1HE LYS A 13 11.620 14.105 3.159 1.00 0.00 H ATOM 220 2HE LYS A 13 10.773 12.556 3.171 1.00 0.00 H ATOM 221 1HZ LYS A 13 9.719 14.127 1.719 1.00 0.00 H ATOM 222 2HZ LYS A 13 8.703 13.752 2.964 1.00 0.00 H ATOM 223 3HZ LYS A 13 9.495 15.199 2.951 1.00 0.00 H ATOM 224 N ASN A 14 11.843 12.128 10.303 1.00 0.00 N ATOM 225 CA ASN A 14 11.686 12.427 11.721 1.00 0.00 C ATOM 226 C ASN A 14 12.924 12.023 12.510 1.00 0.00 C ATOM 227 O ASN A 14 13.011 12.264 13.714 1.00 0.00 O ATOM 228 CB ASN A 14 10.451 11.743 12.277 1.00 0.00 C ATOM 229 CG ASN A 14 9.174 12.371 11.793 1.00 0.00 C ATOM 230 OD1 ASN A 14 9.136 13.567 11.480 1.00 0.00 O ATOM 231 ND2 ASN A 14 8.127 11.589 11.725 1.00 0.00 N ATOM 232 H ASN A 14 11.434 11.283 9.930 1.00 0.00 H ATOM 233 HA ASN A 14 11.546 13.503 11.834 1.00 0.00 H ATOM 234 1HB ASN A 14 10.456 10.691 11.989 1.00 0.00 H ATOM 235 2HB ASN A 14 10.472 11.784 13.367 1.00 0.00 H ATOM 236 1HD2 ASN A 14 7.250 11.953 11.410 1.00 0.00 H ATOM 237 2HD2 ASN A 14 8.203 10.628 11.989 1.00 0.00 H ATOM 238 N GLY A 15 13.881 11.407 11.824 1.00 0.00 N ATOM 239 CA GLY A 15 15.131 10.997 12.452 1.00 0.00 C ATOM 240 C GLY A 15 14.956 9.704 13.237 1.00 0.00 C ATOM 241 O GLY A 15 15.682 9.445 14.197 1.00 0.00 O ATOM 242 H GLY A 15 13.739 11.217 10.842 1.00 0.00 H ATOM 243 1HA GLY A 15 15.896 10.861 11.687 1.00 0.00 H ATOM 244 2HA GLY A 15 15.480 11.786 13.118 1.00 0.00 H ATOM 245 N LEU A 16 13.987 8.894 12.825 1.00 0.00 N ATOM 246 CA LEU A 16 13.718 7.622 13.484 1.00 0.00 C ATOM 247 C LEU A 16 14.505 6.489 12.838 1.00 0.00 C ATOM 248 O LEU A 16 14.841 6.549 11.655 1.00 0.00 O ATOM 249 CB LEU A 16 12.218 7.304 13.433 1.00 0.00 C ATOM 250 CG LEU A 16 11.295 8.348 14.074 1.00 0.00 C ATOM 251 CD1 LEU A 16 9.844 7.927 13.886 1.00 0.00 C ATOM 252 CD2 LEU A 16 11.636 8.490 15.550 1.00 0.00 C ATOM 253 H LEU A 16 13.421 9.167 12.033 1.00 0.00 H ATOM 254 HA LEU A 16 14.024 7.702 14.527 1.00 0.00 H ATOM 255 1HB LEU A 16 11.922 7.195 12.391 1.00 0.00 H ATOM 256 2HB LEU A 16 12.046 6.354 13.939 1.00 0.00 H ATOM 257 HG LEU A 16 11.431 9.309 13.576 1.00 0.00 H ATOM 258 1HD1 LEU A 16 9.188 8.669 14.342 1.00 0.00 H ATOM 259 2HD1 LEU A 16 9.622 7.852 12.822 1.00 0.00 H ATOM 260 3HD1 LEU A 16 9.681 6.960 14.360 1.00 0.00 H ATOM 261 1HD2 LEU A 16 10.981 9.233 16.006 1.00 0.00 H ATOM 262 2HD2 LEU A 16 11.500 7.530 16.049 1.00 0.00 H ATOM 263 3HD2 LEU A 16 12.674 8.809 15.655 1.00 0.00 H ATOM 264 N SER A 17 14.798 5.457 13.622 1.00 0.00 N ATOM 265 CA SER A 17 15.561 4.315 13.131 1.00 0.00 C ATOM 266 C SER A 17 14.691 3.396 12.283 1.00 0.00 C ATOM 267 O SER A 17 13.466 3.399 12.403 1.00 0.00 O ATOM 268 CB SER A 17 16.146 3.539 14.296 1.00 0.00 C ATOM 269 OG SER A 17 15.141 2.883 15.018 1.00 0.00 O ATOM 270 H SER A 17 14.485 5.463 14.582 1.00 0.00 H ATOM 271 HA SER A 17 16.377 4.685 12.509 1.00 0.00 H ATOM 272 1HB SER A 17 16.865 2.810 13.922 1.00 0.00 H ATOM 273 2HB SER A 17 16.683 4.221 14.953 1.00 0.00 H ATOM 274 HG SER A 17 15.505 2.720 15.891 1.00 0.00 H ATOM 275 N PRO A 18 15.333 2.609 11.425 1.00 0.00 N ATOM 276 CA PRO A 18 14.628 1.619 10.619 1.00 0.00 C ATOM 277 C PRO A 18 13.768 0.712 11.489 1.00 0.00 C ATOM 278 O PRO A 18 12.682 0.296 11.085 1.00 0.00 O ATOM 279 CB PRO A 18 15.768 0.845 9.949 1.00 0.00 C ATOM 280 CG PRO A 18 16.882 1.832 9.869 1.00 0.00 C ATOM 281 CD PRO A 18 16.790 2.607 11.156 1.00 0.00 C ATOM 282 HA PRO A 18 13.981 2.144 9.915 1.00 0.00 H ATOM 283 1HB PRO A 18 16.024 -0.040 10.549 1.00 0.00 H ATOM 284 2HB PRO A 18 15.447 0.483 8.962 1.00 0.00 H ATOM 285 1HG PRO A 18 17.844 1.311 9.757 1.00 0.00 H ATOM 286 2HG PRO A 18 16.761 2.470 8.981 1.00 0.00 H ATOM 287 1HD PRO A 18 17.352 2.082 11.942 1.00 0.00 H ATOM 288 2HD PRO A 18 17.189 3.621 11.004 1.00 0.00 H ATOM 289 N ASP A 19 14.259 0.408 12.685 1.00 0.00 N ATOM 290 CA ASP A 19 13.534 -0.448 13.617 1.00 0.00 C ATOM 291 C ASP A 19 12.274 0.239 14.129 1.00 0.00 C ATOM 292 O ASP A 19 11.217 -0.383 14.236 1.00 0.00 O ATOM 293 CB ASP A 19 14.428 -0.833 14.798 1.00 0.00 C ATOM 294 CG ASP A 19 15.520 -1.823 14.416 1.00 0.00 C ATOM 295 OD1 ASP A 19 15.366 -2.495 13.424 1.00 0.00 O ATOM 296 OD2 ASP A 19 16.498 -1.899 15.121 1.00 0.00 O ATOM 297 H ASP A 19 15.158 0.780 12.957 1.00 0.00 H ATOM 298 HA ASP A 19 13.247 -1.362 13.096 1.00 0.00 H ATOM 299 1HB ASP A 19 14.896 0.062 15.208 1.00 0.00 H ATOM 300 2HB ASP A 19 13.818 -1.274 15.587 1.00 0.00 H ATOM 301 N GLN A 20 12.393 1.524 14.443 1.00 0.00 N ATOM 302 CA GLN A 20 11.245 2.320 14.862 1.00 0.00 C ATOM 303 C GLN A 20 10.225 2.448 13.738 1.00 0.00 C ATOM 304 O GLN A 20 9.017 2.431 13.978 1.00 0.00 O ATOM 305 CB GLN A 20 11.695 3.709 15.321 1.00 0.00 C ATOM 306 CG GLN A 20 12.442 3.716 16.644 1.00 0.00 C ATOM 307 CD GLN A 20 12.965 5.093 17.006 1.00 0.00 C ATOM 308 OE1 GLN A 20 13.680 5.726 16.224 1.00 0.00 O ATOM 309 NE2 GLN A 20 12.612 5.565 18.196 1.00 0.00 N ATOM 310 H GLN A 20 13.302 1.962 14.391 1.00 0.00 H ATOM 311 HA GLN A 20 10.771 1.823 15.710 1.00 0.00 H ATOM 312 1HB GLN A 20 12.345 4.150 14.565 1.00 0.00 H ATOM 313 2HB GLN A 20 10.825 4.358 15.423 1.00 0.00 H ATOM 314 1HG GLN A 20 11.766 3.388 17.434 1.00 0.00 H ATOM 315 2HG GLN A 20 13.291 3.035 16.573 1.00 0.00 H ATOM 316 1HE2 GLN A 20 12.927 6.468 18.491 1.00 0.00 H ATOM 317 2HE2 GLN A 20 12.032 5.018 18.800 1.00 0.00 H ATOM 318 N ALA A 21 10.717 2.578 12.511 1.00 0.00 N ATOM 319 CA ALA A 21 9.851 2.631 11.340 1.00 0.00 C ATOM 320 C ALA A 21 9.041 1.348 11.195 1.00 0.00 C ATOM 321 O ALA A 21 7.846 1.386 10.903 1.00 0.00 O ATOM 322 CB ALA A 21 10.672 2.882 10.084 1.00 0.00 C ATOM 323 H ALA A 21 11.717 2.643 12.386 1.00 0.00 H ATOM 324 HA ALA A 21 9.161 3.468 11.456 1.00 0.00 H ATOM 325 1HB ALA A 21 10.011 2.918 9.218 1.00 0.00 H ATOM 326 2HB ALA A 21 11.200 3.831 10.178 1.00 0.00 H ATOM 327 3HB ALA A 21 11.394 2.077 9.955 1.00 0.00 H ATOM 328 N ARG A 22 9.700 0.213 11.401 1.00 0.00 N ATOM 329 CA ARG A 22 9.031 -1.082 11.350 1.00 0.00 C ATOM 330 C ARG A 22 7.910 -1.164 12.379 1.00 0.00 C ATOM 331 O ARG A 22 6.801 -1.598 12.070 1.00 0.00 O ATOM 332 CB ARG A 22 10.024 -2.208 11.595 1.00 0.00 C ATOM 333 CG ARG A 22 9.468 -3.608 11.384 1.00 0.00 C ATOM 334 CD ARG A 22 10.478 -4.652 11.692 1.00 0.00 C ATOM 335 NE ARG A 22 11.664 -4.522 10.860 1.00 0.00 N ATOM 336 CZ ARG A 22 12.862 -4.090 11.297 1.00 0.00 C ATOM 337 NH1 ARG A 22 13.018 -3.750 12.558 1.00 0.00 N ATOM 338 NH2 ARG A 22 13.881 -4.007 10.460 1.00 0.00 N ATOM 339 H ARG A 22 10.690 0.247 11.599 1.00 0.00 H ATOM 340 HA ARG A 22 8.602 -1.210 10.355 1.00 0.00 H ATOM 341 1HB ARG A 22 10.879 -2.089 10.931 1.00 0.00 H ATOM 342 2HB ARG A 22 10.393 -2.151 12.619 1.00 0.00 H ATOM 343 1HG ARG A 22 8.607 -3.760 12.035 1.00 0.00 H ATOM 344 2HG ARG A 22 9.161 -3.724 10.344 1.00 0.00 H ATOM 345 1HD ARG A 22 10.783 -4.566 12.735 1.00 0.00 H ATOM 346 2HD ARG A 22 10.047 -5.637 11.520 1.00 0.00 H ATOM 347 HE ARG A 22 11.583 -4.775 9.884 1.00 0.00 H ATOM 348 1HH1 ARG A 22 12.239 -3.813 13.198 1.00 0.00 H ATOM 349 2HH1 ARG A 22 13.916 -3.425 12.886 1.00 0.00 H ATOM 350 1HH2 ARG A 22 13.761 -4.269 9.491 1.00 0.00 H ATOM 351 2HH2 ARG A 22 14.779 -3.683 10.788 1.00 0.00 H ATOM 352 N GLU A 23 8.207 -0.744 13.604 1.00 0.00 N ATOM 353 CA GLU A 23 7.208 -0.710 14.666 1.00 0.00 C ATOM 354 C GLU A 23 5.989 0.103 14.249 1.00 0.00 C ATOM 355 O GLU A 23 4.852 -0.346 14.398 1.00 0.00 O ATOM 356 CB GLU A 23 7.810 -0.125 15.946 1.00 0.00 C ATOM 357 CG GLU A 23 6.836 -0.032 17.112 1.00 0.00 C ATOM 358 CD GLU A 23 7.453 0.574 18.342 1.00 0.00 C ATOM 359 OE1 GLU A 23 8.637 0.812 18.334 1.00 0.00 O ATOM 360 OE2 GLU A 23 6.740 0.798 19.291 1.00 0.00 O ATOM 361 H GLU A 23 9.149 -0.440 13.805 1.00 0.00 H ATOM 362 HA GLU A 23 6.892 -1.732 14.876 1.00 0.00 H ATOM 363 1HB GLU A 23 8.655 -0.737 16.263 1.00 0.00 H ATOM 364 2HB GLU A 23 8.188 0.877 15.745 1.00 0.00 H ATOM 365 1HG GLU A 23 5.982 0.574 16.812 1.00 0.00 H ATOM 366 2HG GLU A 23 6.473 -1.031 17.349 1.00 0.00 H ATOM 367 N ILE A 24 6.233 1.300 13.727 1.00 0.00 N ATOM 368 CA ILE A 24 5.154 2.183 13.301 1.00 0.00 C ATOM 369 C ILE A 24 4.306 1.534 12.214 1.00 0.00 C ATOM 370 O ILE A 24 3.078 1.537 12.287 1.00 0.00 O ATOM 371 CB ILE A 24 5.712 3.523 12.786 1.00 0.00 C ATOM 372 CG1 ILE A 24 6.336 4.319 13.936 1.00 0.00 C ATOM 373 CG2 ILE A 24 4.616 4.330 12.108 1.00 0.00 C ATOM 374 CD1 ILE A 24 7.172 5.494 13.482 1.00 0.00 C ATOM 375 H ILE A 24 7.189 1.605 13.622 1.00 0.00 H ATOM 376 HA ILE A 24 4.518 2.393 14.162 1.00 0.00 H ATOM 377 HB ILE A 24 6.508 3.333 12.067 1.00 0.00 H ATOM 378 1HG1 ILE A 24 5.548 4.692 14.589 1.00 0.00 H ATOM 379 2HG1 ILE A 24 6.969 3.661 14.532 1.00 0.00 H ATOM 380 1HG2 ILE A 24 5.028 5.274 11.751 1.00 0.00 H ATOM 381 2HG2 ILE A 24 4.217 3.767 11.266 1.00 0.00 H ATOM 382 3HG2 ILE A 24 3.817 4.530 12.822 1.00 0.00 H ATOM 383 1HD1 ILE A 24 7.580 6.008 14.353 1.00 0.00 H ATOM 384 2HD1 ILE A 24 7.989 5.138 12.854 1.00 0.00 H ATOM 385 3HD1 ILE A 24 6.550 6.184 12.913 1.00 0.00 H ATOM 386 N LEU A 25 4.970 0.979 11.206 1.00 0.00 N ATOM 387 CA LEU A 25 4.278 0.385 10.068 1.00 0.00 C ATOM 388 C LEU A 25 3.440 -0.812 10.497 1.00 0.00 C ATOM 389 O LEU A 25 2.319 -0.998 10.024 1.00 0.00 O ATOM 390 CB LEU A 25 5.290 -0.048 9.000 1.00 0.00 C ATOM 391 CG LEU A 25 5.987 1.091 8.244 1.00 0.00 C ATOM 392 CD1 LEU A 25 7.087 0.516 7.361 1.00 0.00 C ATOM 393 CD2 LEU A 25 4.963 1.852 7.416 1.00 0.00 C ATOM 394 H LEU A 25 5.980 0.967 11.229 1.00 0.00 H ATOM 395 HA LEU A 25 3.618 1.137 9.634 1.00 0.00 H ATOM 396 1HB LEU A 25 6.062 -0.650 9.476 1.00 0.00 H ATOM 397 2HB LEU A 25 4.777 -0.668 8.265 1.00 0.00 H ATOM 398 HG LEU A 25 6.454 1.770 8.958 1.00 0.00 H ATOM 399 1HD1 LEU A 25 7.582 1.325 6.824 1.00 0.00 H ATOM 400 2HD1 LEU A 25 7.816 -0.006 7.981 1.00 0.00 H ATOM 401 3HD1 LEU A 25 6.652 -0.181 6.646 1.00 0.00 H ATOM 402 1HD2 LEU A 25 5.458 2.662 6.879 1.00 0.00 H ATOM 403 2HD2 LEU A 25 4.497 1.174 6.700 1.00 0.00 H ATOM 404 3HD2 LEU A 25 4.199 2.267 8.073 1.00 0.00 H ATOM 405 N GLN A 26 3.990 -1.622 11.395 1.00 0.00 N ATOM 406 CA GLN A 26 3.264 -2.761 11.945 1.00 0.00 C ATOM 407 C GLN A 26 2.027 -2.309 12.710 1.00 0.00 C ATOM 408 O GLN A 26 0.955 -2.900 12.581 1.00 0.00 O ATOM 409 CB GLN A 26 4.174 -3.583 12.862 1.00 0.00 C ATOM 410 CG GLN A 26 5.240 -4.379 12.130 1.00 0.00 C ATOM 411 CD GLN A 26 6.183 -5.094 13.079 1.00 0.00 C ATOM 412 OE1 GLN A 26 6.693 -4.501 14.034 1.00 0.00 O ATOM 413 NE2 GLN A 26 6.420 -6.376 12.823 1.00 0.00 N ATOM 414 H GLN A 26 4.934 -1.444 11.705 1.00 0.00 H ATOM 415 HA GLN A 26 2.951 -3.403 11.121 1.00 0.00 H ATOM 416 1HB GLN A 26 4.674 -2.920 13.568 1.00 0.00 H ATOM 417 2HB GLN A 26 3.570 -4.282 13.441 1.00 0.00 H ATOM 418 1HG GLN A 26 4.754 -5.127 11.503 1.00 0.00 H ATOM 419 2HG GLN A 26 5.827 -3.699 11.513 1.00 0.00 H ATOM 420 1HE2 GLN A 26 7.034 -6.900 13.415 1.00 0.00 H ATOM 421 2HE2 GLN A 26 5.985 -6.818 12.038 1.00 0.00 H ATOM 422 N LYS A 27 2.181 -1.257 13.507 1.00 0.00 N ATOM 423 CA LYS A 27 1.063 -0.687 14.249 1.00 0.00 C ATOM 424 C LYS A 27 0.066 -0.016 13.314 1.00 0.00 C ATOM 425 O LYS A 27 -1.110 0.132 13.648 1.00 0.00 O ATOM 426 CB LYS A 27 1.566 0.315 15.289 1.00 0.00 C ATOM 427 CG LYS A 27 2.295 -0.314 16.469 1.00 0.00 C ATOM 428 CD LYS A 27 2.803 0.746 17.435 1.00 0.00 C ATOM 429 CE LYS A 27 3.454 0.116 18.657 1.00 0.00 C ATOM 430 NZ LYS A 27 4.026 1.141 19.573 1.00 0.00 N ATOM 431 H LYS A 27 3.097 -0.841 13.600 1.00 0.00 H ATOM 432 HA LYS A 27 0.556 -1.492 14.782 1.00 0.00 H ATOM 433 1HB LYS A 27 2.247 1.022 14.814 1.00 0.00 H ATOM 434 2HB LYS A 27 0.724 0.886 15.682 1.00 0.00 H ATOM 435 1HG LYS A 27 1.617 -0.983 17.001 1.00 0.00 H ATOM 436 2HG LYS A 27 3.141 -0.897 16.105 1.00 0.00 H ATOM 437 1HD LYS A 27 3.533 1.379 16.929 1.00 0.00 H ATOM 438 2HD LYS A 27 1.970 1.370 17.760 1.00 0.00 H ATOM 439 1HE LYS A 27 2.715 -0.469 19.202 1.00 0.00 H ATOM 440 2HE LYS A 27 4.253 -0.554 18.339 1.00 0.00 H ATOM 441 1HZ LYS A 27 4.448 0.683 20.368 1.00 0.00 H ATOM 442 2HZ LYS A 27 4.727 1.678 19.082 1.00 0.00 H ATOM 443 3HZ LYS A 27 3.291 1.757 19.890 1.00 0.00 H ATOM 444 N ALA A 28 0.541 0.389 12.142 1.00 0.00 N ATOM 445 CA ALA A 28 -0.321 0.989 11.131 1.00 0.00 C ATOM 446 C ALA A 28 -1.131 -0.073 10.397 1.00 0.00 C ATOM 447 O ALA A 28 -2.043 0.246 9.635 1.00 0.00 O ATOM 448 CB ALA A 28 0.505 1.800 10.143 1.00 0.00 C ATOM 449 H ALA A 28 1.526 0.278 11.945 1.00 0.00 H ATOM 450 HA ALA A 28 -1.014 1.668 11.626 1.00 0.00 H ATOM 451 1HB ALA A 28 -0.153 2.241 9.394 1.00 0.00 H ATOM 452 2HB ALA A 28 1.033 2.591 10.674 1.00 0.00 H ATOM 453 3HB ALA A 28 1.227 1.149 9.652 1.00 0.00 H ATOM 454 N GLY A 29 -0.792 -1.336 10.633 1.00 0.00 N ATOM 455 CA GLY A 29 -1.500 -2.448 10.010 1.00 0.00 C ATOM 456 C GLY A 29 -0.837 -2.859 8.701 1.00 0.00 C ATOM 457 O GLY A 29 -1.483 -3.421 7.817 1.00 0.00 O ATOM 458 H GLY A 29 -0.024 -1.531 11.259 1.00 0.00 H ATOM 459 1HA GLY A 29 -1.519 -3.296 10.694 1.00 0.00 H ATOM 460 2HA GLY A 29 -2.534 -2.162 9.823 1.00 0.00 H ATOM 461 N VAL A 30 0.455 -2.575 8.584 1.00 0.00 N ATOM 462 CA VAL A 30 1.210 -2.922 7.385 1.00 0.00 C ATOM 463 C VAL A 30 1.892 -4.276 7.537 1.00 0.00 C ATOM 464 O VAL A 30 2.495 -4.566 8.570 1.00 0.00 O ATOM 465 CB VAL A 30 2.272 -1.846 7.092 1.00 0.00 C ATOM 466 CG1 VAL A 30 3.089 -2.223 5.866 1.00 0.00 C ATOM 467 CG2 VAL A 30 1.600 -0.495 6.898 1.00 0.00 C ATOM 468 H VAL A 30 0.927 -2.107 9.344 1.00 0.00 H ATOM 469 HA VAL A 30 0.518 -2.981 6.546 1.00 0.00 H ATOM 470 HB VAL A 30 2.963 -1.791 7.934 1.00 0.00 H ATOM 471 1HG1 VAL A 30 3.835 -1.451 5.673 1.00 0.00 H ATOM 472 2HG1 VAL A 30 3.589 -3.175 6.041 1.00 0.00 H ATOM 473 3HG1 VAL A 30 2.429 -2.312 5.003 1.00 0.00 H ATOM 474 1HG2 VAL A 30 2.357 0.262 6.692 1.00 0.00 H ATOM 475 2HG2 VAL A 30 0.905 -0.551 6.060 1.00 0.00 H ATOM 476 3HG2 VAL A 30 1.055 -0.226 7.803 1.00 0.00 H ATOM 477 N ASP A 31 1.793 -5.101 6.500 1.00 0.00 N ATOM 478 CA ASP A 31 2.440 -6.408 6.497 1.00 0.00 C ATOM 479 C ASP A 31 3.922 -6.289 6.829 1.00 0.00 C ATOM 480 O ASP A 31 4.626 -5.442 6.279 1.00 0.00 O ATOM 481 CB ASP A 31 2.269 -7.088 5.137 1.00 0.00 C ATOM 482 CG ASP A 31 2.882 -8.482 5.090 1.00 0.00 C ATOM 483 OD1 ASP A 31 2.194 -9.423 5.410 1.00 0.00 O ATOM 484 OD2 ASP A 31 4.031 -8.592 4.735 1.00 0.00 O ATOM 485 H ASP A 31 1.256 -4.817 5.694 1.00 0.00 H ATOM 486 HA ASP A 31 1.969 -7.029 7.259 1.00 0.00 H ATOM 487 1HB ASP A 31 1.207 -7.166 4.900 1.00 0.00 H ATOM 488 2HB ASP A 31 2.733 -6.477 4.363 1.00 0.00 H ATOM 489 N THR A 32 4.392 -7.144 7.732 1.00 0.00 N ATOM 490 CA THR A 32 5.752 -7.044 8.248 1.00 0.00 C ATOM 491 C THR A 32 6.776 -7.170 7.127 1.00 0.00 C ATOM 492 O THR A 32 7.718 -6.382 7.042 1.00 0.00 O ATOM 493 CB THR A 32 6.020 -8.118 9.317 1.00 0.00 C ATOM 494 OG1 THR A 32 5.150 -7.908 10.438 1.00 0.00 O ATOM 495 CG2 THR A 32 7.466 -8.057 9.784 1.00 0.00 C ATOM 496 H THR A 32 3.790 -7.882 8.070 1.00 0.00 H ATOM 497 HA THR A 32 5.871 -6.069 8.722 1.00 0.00 H ATOM 498 HB THR A 32 5.820 -9.105 8.900 1.00 0.00 H ATOM 499 HG1 THR A 32 4.284 -8.275 10.243 1.00 0.00 H ATOM 500 1HG2 THR A 32 7.637 -8.824 10.540 1.00 0.00 H ATOM 501 2HG2 THR A 32 8.129 -8.228 8.937 1.00 0.00 H ATOM 502 3HG2 THR A 32 7.669 -7.076 10.212 1.00 0.00 H ATOM 503 N GLU A 33 6.587 -8.167 6.270 1.00 0.00 N ATOM 504 CA GLU A 33 7.489 -8.393 5.146 1.00 0.00 C ATOM 505 C GLU A 33 7.516 -7.191 4.211 1.00 0.00 C ATOM 506 O GLU A 33 8.584 -6.709 3.835 1.00 0.00 O ATOM 507 CB GLU A 33 7.073 -9.645 4.371 1.00 0.00 C ATOM 508 CG GLU A 33 7.967 -9.976 3.185 1.00 0.00 C ATOM 509 CD GLU A 33 7.542 -11.224 2.462 1.00 0.00 C ATOM 510 OE1 GLU A 33 6.661 -11.895 2.943 1.00 0.00 O ATOM 511 OE2 GLU A 33 8.099 -11.506 1.427 1.00 0.00 O ATOM 512 H GLU A 33 5.798 -8.785 6.399 1.00 0.00 H ATOM 513 HA GLU A 33 8.494 -8.555 5.537 1.00 0.00 H ATOM 514 1HB GLU A 33 7.074 -10.505 5.041 1.00 0.00 H ATOM 515 2HB GLU A 33 6.055 -9.521 3.999 1.00 0.00 H ATOM 516 1HG GLU A 33 7.948 -9.141 2.485 1.00 0.00 H ATOM 517 2HG GLU A 33 8.990 -10.097 3.537 1.00 0.00 H ATOM 518 N LEU A 34 6.334 -6.710 3.840 1.00 0.00 N ATOM 519 CA LEU A 34 6.219 -5.513 3.015 1.00 0.00 C ATOM 520 C LEU A 34 6.904 -4.323 3.674 1.00 0.00 C ATOM 521 O LEU A 34 7.667 -3.600 3.032 1.00 0.00 O ATOM 522 CB LEU A 34 4.743 -5.185 2.761 1.00 0.00 C ATOM 523 CG LEU A 34 4.474 -3.910 1.951 1.00 0.00 C ATOM 524 CD1 LEU A 34 5.092 -4.048 0.566 1.00 0.00 C ATOM 525 CD2 LEU A 34 2.974 -3.672 1.860 1.00 0.00 C ATOM 526 H LEU A 34 5.494 -7.186 4.136 1.00 0.00 H ATOM 527 HA LEU A 34 6.700 -5.706 2.055 1.00 0.00 H ATOM 528 1HB LEU A 34 4.288 -6.018 2.227 1.00 0.00 H ATOM 529 2HB LEU A 34 4.240 -5.078 3.722 1.00 0.00 H ATOM 530 HG LEU A 34 4.947 -3.059 2.443 1.00 0.00 H ATOM 531 1HD1 LEU A 34 4.902 -3.142 -0.009 1.00 0.00 H ATOM 532 2HD1 LEU A 34 6.168 -4.198 0.661 1.00 0.00 H ATOM 533 3HD1 LEU A 34 4.650 -4.902 0.055 1.00 0.00 H ATOM 534 1HD2 LEU A 34 2.784 -2.766 1.284 1.00 0.00 H ATOM 535 2HD2 LEU A 34 2.501 -4.521 1.366 1.00 0.00 H ATOM 536 3HD2 LEU A 34 2.562 -3.559 2.862 1.00 0.00 H ATOM 537 N ALA A 35 6.628 -4.124 4.958 1.00 0.00 N ATOM 538 CA ALA A 35 7.219 -3.020 5.707 1.00 0.00 C ATOM 539 C ALA A 35 8.740 -3.079 5.666 1.00 0.00 C ATOM 540 O ALA A 35 9.405 -2.060 5.477 1.00 0.00 O ATOM 541 CB ALA A 35 6.727 -3.034 7.147 1.00 0.00 C ATOM 542 H ALA A 35 5.993 -4.753 5.428 1.00 0.00 H ATOM 543 HA ALA A 35 6.892 -2.082 5.256 1.00 0.00 H ATOM 544 1HB ALA A 35 7.177 -2.205 7.693 1.00 0.00 H ATOM 545 2HB ALA A 35 5.642 -2.933 7.162 1.00 0.00 H ATOM 546 3HB ALA A 35 7.010 -3.974 7.618 1.00 0.00 H ATOM 547 N GLU A 36 9.286 -4.277 5.844 1.00 0.00 N ATOM 548 CA GLU A 36 10.731 -4.471 5.821 1.00 0.00 C ATOM 549 C GLU A 36 11.316 -4.092 4.466 1.00 0.00 C ATOM 550 O GLU A 36 12.331 -3.401 4.390 1.00 0.00 O ATOM 551 CB GLU A 36 11.079 -5.925 6.149 1.00 0.00 C ATOM 552 CG GLU A 36 12.564 -6.250 6.069 1.00 0.00 C ATOM 553 CD GLU A 36 13.375 -5.539 7.116 1.00 0.00 C ATOM 554 OE1 GLU A 36 12.814 -5.147 8.110 1.00 0.00 O ATOM 555 OE2 GLU A 36 14.558 -5.388 6.920 1.00 0.00 O ATOM 556 H GLU A 36 8.685 -5.073 6.000 1.00 0.00 H ATOM 557 HA GLU A 36 11.178 -3.835 6.585 1.00 0.00 H ATOM 558 1HB GLU A 36 10.739 -6.162 7.157 1.00 0.00 H ATOM 559 2HB GLU A 36 10.554 -6.589 5.462 1.00 0.00 H ATOM 560 1HG GLU A 36 12.697 -7.324 6.190 1.00 0.00 H ATOM 561 2HG GLU A 36 12.932 -5.975 5.081 1.00 0.00 H ATOM 562 N ARG A 37 10.670 -4.550 3.399 1.00 0.00 N ATOM 563 CA ARG A 37 11.115 -4.245 2.045 1.00 0.00 C ATOM 564 C ARG A 37 11.105 -2.744 1.787 1.00 0.00 C ATOM 565 O ARG A 37 12.035 -2.200 1.191 1.00 0.00 O ATOM 566 CB ARG A 37 10.228 -4.938 1.021 1.00 0.00 C ATOM 567 CG ARG A 37 10.355 -6.453 0.987 1.00 0.00 C ATOM 568 CD ARG A 37 9.432 -7.059 -0.006 1.00 0.00 C ATOM 569 NE ARG A 37 9.403 -8.510 0.095 1.00 0.00 N ATOM 570 CZ ARG A 37 10.293 -9.335 -0.489 1.00 0.00 C ATOM 571 NH1 ARG A 37 11.275 -8.839 -1.210 1.00 0.00 N ATOM 572 NH2 ARG A 37 10.181 -10.643 -0.337 1.00 0.00 N ATOM 573 H ARG A 37 9.849 -5.124 3.530 1.00 0.00 H ATOM 574 HA ARG A 37 12.134 -4.613 1.924 1.00 0.00 H ATOM 575 1HB ARG A 37 9.185 -4.699 1.222 1.00 0.00 H ATOM 576 2HB ARG A 37 10.463 -4.565 0.024 1.00 0.00 H ATOM 577 1HG ARG A 37 11.375 -6.727 0.719 1.00 0.00 H ATOM 578 2HG ARG A 37 10.116 -6.860 1.970 1.00 0.00 H ATOM 579 1HD ARG A 37 8.422 -6.686 0.161 1.00 0.00 H ATOM 580 2HD ARG A 37 9.755 -6.794 -1.012 1.00 0.00 H ATOM 581 HE ARG A 37 8.662 -8.928 0.641 1.00 0.00 H ATOM 582 1HH1 ARG A 37 11.361 -7.839 -1.327 1.00 0.00 H ATOM 583 2HH1 ARG A 37 11.942 -9.457 -1.648 1.00 0.00 H ATOM 584 1HH2 ARG A 37 9.426 -11.024 0.217 1.00 0.00 H ATOM 585 2HH2 ARG A 37 10.848 -11.261 -0.774 1.00 0.00 H ATOM 586 N ILE A 38 10.047 -2.078 2.239 1.00 0.00 N ATOM 587 CA ILE A 38 9.940 -0.630 2.107 1.00 0.00 C ATOM 588 C ILE A 38 11.052 0.076 2.873 1.00 0.00 C ATOM 589 O ILE A 38 11.683 1.000 2.359 1.00 0.00 O ATOM 590 CB ILE A 38 8.573 -0.132 2.611 1.00 0.00 C ATOM 591 CG1 ILE A 38 7.456 -0.601 1.675 1.00 0.00 C ATOM 592 CG2 ILE A 38 8.570 1.384 2.730 1.00 0.00 C ATOM 593 CD1 ILE A 38 6.066 -0.406 2.237 1.00 0.00 C ATOM 594 H ILE A 38 9.298 -2.588 2.684 1.00 0.00 H ATOM 595 HA ILE A 38 10.024 -0.371 1.051 1.00 0.00 H ATOM 596 HB ILE A 38 8.367 -0.564 3.589 1.00 0.00 H ATOM 597 1HG1 ILE A 38 7.522 -0.061 0.731 1.00 0.00 H ATOM 598 2HG1 ILE A 38 7.588 -1.661 1.454 1.00 0.00 H ATOM 599 1HG2 ILE A 38 7.596 1.719 3.087 1.00 0.00 H ATOM 600 2HG2 ILE A 38 9.341 1.695 3.434 1.00 0.00 H ATOM 601 3HG2 ILE A 38 8.771 1.826 1.754 1.00 0.00 H ATOM 602 1HD1 ILE A 38 5.329 -0.763 1.517 1.00 0.00 H ATOM 603 2HD1 ILE A 38 5.967 -0.969 3.166 1.00 0.00 H ATOM 604 3HD1 ILE A 38 5.899 0.652 2.433 1.00 0.00 H ATOM 605 N ILE A 39 11.287 -0.364 4.104 1.00 0.00 N ATOM 606 CA ILE A 39 12.329 0.221 4.941 1.00 0.00 C ATOM 607 C ILE A 39 13.697 0.097 4.283 1.00 0.00 C ATOM 608 O ILE A 39 14.497 1.033 4.311 1.00 0.00 O ATOM 609 CB ILE A 39 12.362 -0.450 6.326 1.00 0.00 C ATOM 610 CG1 ILE A 39 11.118 -0.070 7.133 1.00 0.00 C ATOM 611 CG2 ILE A 39 13.626 -0.061 7.076 1.00 0.00 C ATOM 612 CD1 ILE A 39 10.899 -0.927 8.359 1.00 0.00 C ATOM 613 H ILE A 39 10.730 -1.123 4.470 1.00 0.00 H ATOM 614 HA ILE A 39 12.104 1.278 5.085 1.00 0.00 H ATOM 615 HB ILE A 39 12.340 -1.533 6.206 1.00 0.00 H ATOM 616 1HG1 ILE A 39 11.195 0.969 7.452 1.00 0.00 H ATOM 617 2HG1 ILE A 39 10.234 -0.151 6.500 1.00 0.00 H ATOM 618 1HG2 ILE A 39 13.633 -0.543 8.053 1.00 0.00 H ATOM 619 2HG2 ILE A 39 14.499 -0.380 6.508 1.00 0.00 H ATOM 620 3HG2 ILE A 39 13.654 1.021 7.205 1.00 0.00 H ATOM 621 1HD1 ILE A 39 9.999 -0.597 8.878 1.00 0.00 H ATOM 622 2HD1 ILE A 39 10.783 -1.969 8.058 1.00 0.00 H ATOM 623 3HD1 ILE A 39 11.756 -0.834 9.025 1.00 0.00 H ATOM 624 N ARG A 40 13.962 -1.063 3.692 1.00 0.00 N ATOM 625 CA ARG A 40 15.240 -1.316 3.037 1.00 0.00 C ATOM 626 C ARG A 40 15.458 -0.363 1.869 1.00 0.00 C ATOM 627 O ARG A 40 16.586 0.038 1.585 1.00 0.00 O ATOM 628 CB ARG A 40 15.310 -2.751 2.538 1.00 0.00 C ATOM 629 CG ARG A 40 15.446 -3.802 3.628 1.00 0.00 C ATOM 630 CD ARG A 40 15.449 -5.178 3.068 1.00 0.00 C ATOM 631 NE ARG A 40 15.493 -6.189 4.112 1.00 0.00 N ATOM 632 CZ ARG A 40 15.648 -7.509 3.893 1.00 0.00 C ATOM 633 NH1 ARG A 40 15.773 -7.961 2.665 1.00 0.00 N ATOM 634 NH2 ARG A 40 15.676 -8.349 4.913 1.00 0.00 N ATOM 635 H ARG A 40 13.259 -1.789 3.697 1.00 0.00 H ATOM 636 HA ARG A 40 16.037 -1.165 3.766 1.00 0.00 H ATOM 637 1HB ARG A 40 14.412 -2.982 1.967 1.00 0.00 H ATOM 638 2HB ARG A 40 16.162 -2.861 1.866 1.00 0.00 H ATOM 639 1HG ARG A 40 16.381 -3.649 4.167 1.00 0.00 H ATOM 640 2HG ARG A 40 14.609 -3.716 4.322 1.00 0.00 H ATOM 641 1HD ARG A 40 14.544 -5.334 2.481 1.00 0.00 H ATOM 642 2HD ARG A 40 16.322 -5.309 2.430 1.00 0.00 H ATOM 643 HE ARG A 40 15.401 -5.879 5.071 1.00 0.00 H ATOM 644 1HH1 ARG A 40 15.752 -7.319 1.886 1.00 0.00 H ATOM 645 2HH1 ARG A 40 15.889 -8.951 2.501 1.00 0.00 H ATOM 646 1HH2 ARG A 40 15.580 -8.002 5.857 1.00 0.00 H ATOM 647 2HH2 ARG A 40 15.792 -9.338 4.749 1.00 0.00 H ATOM 648 N GLU A 41 14.371 -0.005 1.194 1.00 0.00 N ATOM 649 CA GLU A 41 14.429 0.965 0.107 1.00 0.00 C ATOM 650 C GLU A 41 14.614 2.380 0.641 1.00 0.00 C ATOM 651 O GLU A 41 15.481 3.121 0.177 1.00 0.00 O ATOM 652 CB GLU A 41 13.158 0.892 -0.742 1.00 0.00 C ATOM 653 CG GLU A 41 13.138 1.849 -1.926 1.00 0.00 C ATOM 654 CD GLU A 41 11.870 1.758 -2.729 1.00 0.00 C ATOM 655 OE1 GLU A 41 11.113 0.844 -2.508 1.00 0.00 O ATOM 656 OE2 GLU A 41 11.658 2.605 -3.565 1.00 0.00 O ATOM 657 H GLU A 41 13.481 -0.414 1.440 1.00 0.00 H ATOM 658 HA GLU A 41 15.278 0.719 -0.531 1.00 0.00 H ATOM 659 1HB GLU A 41 13.036 -0.120 -1.128 1.00 0.00 H ATOM 660 2HB GLU A 41 12.291 1.112 -0.119 1.00 0.00 H ATOM 661 1HG GLU A 41 13.249 2.869 -1.558 1.00 0.00 H ATOM 662 2HG GLU A 41 13.987 1.630 -2.571 1.00 0.00 H ATOM 663 N VAL A 42 13.794 2.750 1.618 1.00 0.00 N ATOM 664 CA VAL A 42 13.752 4.124 2.105 1.00 0.00 C ATOM 665 C VAL A 42 15.002 4.462 2.907 1.00 0.00 C ATOM 666 O VAL A 42 15.655 5.476 2.659 1.00 0.00 O ATOM 667 CB VAL A 42 12.507 4.342 2.984 1.00 0.00 C ATOM 668 CG1 VAL A 42 12.568 5.700 3.668 1.00 0.00 C ATOM 669 CG2 VAL A 42 11.248 4.220 2.139 1.00 0.00 C ATOM 670 H VAL A 42 13.183 2.062 2.035 1.00 0.00 H ATOM 671 HA VAL A 42 13.696 4.794 1.246 1.00 0.00 H ATOM 672 HB VAL A 42 12.492 3.587 3.771 1.00 0.00 H ATOM 673 1HG1 VAL A 42 11.680 5.837 4.285 1.00 0.00 H ATOM 674 2HG1 VAL A 42 13.458 5.751 4.295 1.00 0.00 H ATOM 675 3HG1 VAL A 42 12.609 6.485 2.913 1.00 0.00 H ATOM 676 1HG2 VAL A 42 10.372 4.375 2.767 1.00 0.00 H ATOM 677 2HG2 VAL A 42 11.266 4.972 1.349 1.00 0.00 H ATOM 678 3HG2 VAL A 42 11.204 3.226 1.693 1.00 0.00 H ATOM 679 N PHE A 43 15.330 3.608 3.870 1.00 0.00 N ATOM 680 CA PHE A 43 16.442 3.866 4.778 1.00 0.00 C ATOM 681 C PHE A 43 17.753 3.345 4.205 1.00 0.00 C ATOM 682 O PHE A 43 17.770 2.368 3.457 1.00 0.00 O ATOM 683 OXT PHE A 43 18.787 3.889 4.481 1.00 0.00 O ATOM 684 CB PHE A 43 16.181 3.218 6.139 1.00 0.00 C ATOM 685 CG PHE A 43 15.061 3.857 6.910 1.00 0.00 C ATOM 686 CD1 PHE A 43 13.739 3.559 6.615 1.00 0.00 C ATOM 687 CD2 PHE A 43 15.327 4.758 7.930 1.00 0.00 C ATOM 688 CE1 PHE A 43 12.708 4.147 7.323 1.00 0.00 C ATOM 689 CE2 PHE A 43 14.298 5.345 8.641 1.00 0.00 C ATOM 690 CZ PHE A 43 12.987 5.039 8.336 1.00 0.00 C ATOM 691 H PHE A 43 14.796 2.757 3.976 1.00 0.00 H ATOM 692 HA PHE A 43 16.532 4.944 4.916 1.00 0.00 H ATOM 693 1HB PHE A 43 15.941 2.165 6.001 1.00 0.00 H ATOM 694 2HB PHE A 43 17.085 3.271 6.746 1.00 0.00 H ATOM 695 HD1 PHE A 43 13.518 2.852 5.815 1.00 0.00 H ATOM 696 HD2 PHE A 43 16.363 5.000 8.171 1.00 0.00 H ATOM 697 HE1 PHE A 43 11.674 3.904 7.081 1.00 0.00 H ATOM 698 HE2 PHE A 43 14.521 6.051 9.441 1.00 0.00 H ATOM 699 HZ PHE A 43 12.175 5.503 8.894 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE nods_bigger.blueprint.44_try382_pass_20150521060500_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 rama omega fa_dun p_aa_pp ref total weights 0.8 0.44 0.75 0.004 0.7 1 1.17 1.17 1.17 1.1 1 0.2 0.5 0.56 0.32 1 NA pose -166.097 16.3802 91.1989 0.32081 -20.1926 0.01744 -23.1385 -1.5383 -2.90803 -6.35583 0 -5.7263 1.81815 39.3046 -5.46348 -6.82081 -89.2009 THR:NtermProteinFull_1 -2.52002 0.22443 1.49601 0.00859 0.26422 0 0 0 0 0 0 0 0.06834 0.18417 0 0.16454 -0.10971 ASP_2 -2.12384 0.22698 1.57309 0.00337 0.15567 0 0 0 0 0 0 -0.09045 0.04446 1.26928 0.03608 -1.28682 -0.19219 LYS_3 -2.60512 0.36765 1.50676 0.00553 0.04741 0 0 0 0 0 0 -0.13083 0.00559 0.83398 -0.03566 -0.28737 -0.29206 ALA_4 -3.87987 0.36721 1.49638 0.00074 0.00621 0 0 0 0 0 0 -0.19384 0.02997 0 -0.19556 0.59294 -1.77582 ARG_5 -5.30192 0.57685 3.20787 0.01102 -1.58765 0 0 0 0 -0.63709 0 -0.15442 0.08185 2.00164 -0.08337 -0.14916 -2.03437 GLU_6 -4.26885 0.31252 2.98829 0.00733 -1.09004 0 0 0 0 -0.46898 0 -0.15677 0.00541 2.27312 -0.10309 -1.55374 -2.05478 ILE_7 -4.5029 0.42705 1.69391 0.02053 -0.34906 0 0 0 0 0 0 0.01454 0.00201 0.07725 -0.0621 0.8318 -1.84697 ALA_8 -4.20808 0.25576 1.60147 0.00074 -0.25766 0 0 0 0 0 0 -0.1647 0.01214 0 -0.18401 0.59294 -2.3514 GLN_9 -4.30369 0.33182 2.32693 0.0038 -0.21296 0 0 0 0 0 0 -0.13626 0.01909 1.92955 -0.10653 -1.17797 -1.32623 ARG_10 -4.6414 0.32185 3.13021 0.00952 -0.99671 0 0 0 0 -0.46898 0 -0.20465 0.04813 1.62252 -0.08756 -0.14916 -1.41622 ALA_11 -4.43894 0.27169 2.02616 0.00073 -0.29333 0 0 0 0 0 0 -0.14849 0.10839 0 -0.1783 0.59294 -2.05914 LYS_12 -4.55871 0.46094 2.52461 0.00455 -0.72486 0 0 0 -0.32029 0 0 -0.17657 0.00475 1.12175 -0.04571 -0.28737 -1.99692 LYS_13 -2.53007 0.38369 1.42431 0.00315 -0.1139 0 0 0 0 0 0 -0.2721 7e-05 0.7052 -0.03942 -0.28737 -0.72645 ASN_14 -3.03316 0.36627 1.86505 0.0037 -0.0692 0 0 0 0 0 0 -0.24209 0.01168 1.3116 -0.08395 -0.94198 -0.81209 GLY_15 -1.36408 0.33753 0.90011 1e-05 0.04108 0 0 0 0 0 0 -0.36186 0.00052 0 -0.78336 0.14053 -1.08952 LEU_16 -3.72409 0.26914 1.75947 0.00708 -0.01577 0 0 0 0 0 0 -0.18891 0.00288 0.06914 -0.14763 0.60233 -1.36637 SER_17 -3.37414 0.52335 2.4675 0.00156 -0.60113 0.00513 0 0 -0.74512 0 0 -0.27866 0.0881 0.20652 -0.21359 0.17658 -1.74391 PRO_18 -3.58852 0.39162 1.34247 0.00097 -0.23626 0.01231 0 0 0 0 0 -0.00846 0.00017 0.09529 -0.36151 -0.21929 -2.57119 ASP_19 -3.23703 0.51049 2.48732 0.00326 -0.94777 0 0 0 0 -0.32008 0 -0.12088 0.08128 1.37803 0.04323 -1.28682 -1.40897 GLN_20 -4.60039 0.26878 3.03691 0.00307 -0.41087 0 0 0 -0.74512 0 0 -0.16899 0.06623 2.12003 -0.14101 -1.17797 -1.74934 ALA_21 -4.13253 0.34193 1.71625 0.00073 -0.25141 0 0 0 0 0 0 -0.14341 0.03531 0 -0.17144 0.59294 -2.01162 ARG_22 -5.68703 0.66335 4.20884 0.01861 -2.03084 0 0 0 0 -0.99458 0 -0.10245 0.04277 2.02885 -0.08767 -0.14916 -2.0893 GLU_23 -3.97963 0.33076 2.83773 0.00765 -0.93616 0 0 0 0 0 0 -0.085 0.00223 2.12904 -0.09816 -1.55374 -1.34529 ILE_24 -3.95829 0.33907 1.80618 0.02003 -0.2726 0 0 0 0 0 0 0.01301 0.05029 0.07101 -0.09243 0.8318 -1.19193 LEU_25 -6.11848 0.6903 1.86289 0.00694 -0.33477 0 0 0 0 0 0 -0.1135 0.06136 0.25383 -0.12042 0.60233 -3.20953 GLN_26 -4.11377 0.37218 2.7648 0.00316 -0.37725 0 0 0 0 -0.38793 0 -0.11932 0.03843 2.05889 -0.09203 -1.17797 -1.03081 LYS_27 -2.79493 0.38464 1.96923 0.00316 -0.74222 0 0 0 0 0 0 -0.27664 0.04251 0.73575 -0.03895 -0.28737 -1.00483 ALA_28 -2.25436 0.32803 1.02755 0.00096 -0.0441 0 0 0 0 0 0 -0.25564 0.00425 0 -0.04555 0.59294 -0.64593 GLY_29 -1.3203 0.32237 0.85001 1e-05 0.03706 0 0 0 0 0 0 -0.23392 0.00068 0 -0.79186 0.14053 -0.99542 VAL_30 -3.48059 0.44043 1.12123 0.01263 0.04813 0 0 0 0 0 0 -0.17377 0.02441 0.06513 -0.1805 0.74484 -1.37806 ASP_31 -3.22716 0.42755 2.41405 0.00426 -0.53103 0 0 0 -0.38861 0 0 -0.15256 0.23462 2.13989 0.01979 -1.28682 -0.34601 THR_32 -2.65407 0.19082 1.98654 0.00983 -0.09909 0 0 0 0 -0.38793 0 0.02289 0.00097 0.02084 0.11047 0.16454 -0.63419 GLU_33 -3.46386 0.36496 2.59355 0.00714 -1.01792 0 0 0 0 -0.28279 0 -0.12799 0.07435 2.15967 -0.10782 -1.55374 -1.35445 LEU_34 -4.40872 0.33164 1.98547 0.00906 -0.33231 0 0 0 -0.38861 0 0 -0.03492 1e-05 0.35983 -0.10603 0.60233 -1.98227 ALA_35 -4.27603 0.48607 1.94638 0.00073 -0.33405 0 0 0 0 0 0 -0.12448 0.00046 0 -0.16827 0.59294 -1.87625 GLU_36 -5.02406 0.38954 3.88324 0.01006 -1.92919 0 0 0 0 -1.08103 0 -0.17408 0.00342 2.61978 -0.10575 -1.55374 -2.96182 ARG_37 -4.03163 0.22256 2.60541 0.00962 -0.92859 0 0 0 0 -0.28279 0 -0.16759 0.03368 1.75508 -0.09032 -0.14916 -1.02374 ILE_38 -5.44396 0.5457 1.98872 0.02074 -0.28161 0 0 0 0 0 0 -0.02293 0.00054 0.08204 -0.09624 0.8318 -2.3752 ILE_39 -5.96947 0.80143 2.40683 0.02138 -0.3077 0 0 0 0 0 0 -0.0293 0.00192 0.18496 -0.0303 0.8318 -2.08847 ARG_40 -3.54045 0.24241 2.48365 0.00765 -0.59796 0 0 0 0 -0.40653 0 -0.22237 0.07319 1.31238 -0.07022 -0.14916 -0.86741 GLU_41 -2.83205 0.30426 2.30495 0.00704 -1.21375 0 0 0 0 -0.63709 0 -0.08149 0.29568 2.36744 -0.11431 -1.55374 -1.15307 VAL_42 -4.11968 0.20258 1.63836 0.01553 -0.34489 0 0 0 -0.32029 0 0 0.06354 0.11601 0.0503 -0.2124 0.74484 -2.16609 PHE:CtermProteinFull_43 -6.46133 0.46202 1.94223 0.02462 0.02223 0 0 0 0 0 0 0 0 1.71081 0 0.43057 -1.86884 #END_POSE_ENERGIES_TABLE nods_bigger.blueprint.44_try382_pass_20150521060500_0001.pdb AlaCount 6 bb -0.0357661 buried_minus_exposed 3581.44 buried_np 5122.22 buried_over_exposed 3.32441 cavity_volume 0 contact_all 236 contact_core_SASA 236 contact_core_SCN 236 degree 10.3488 degree_core_SASA 10.3488 degree_core_SCN 10.3488 exposed_hydrophobics 1540.78 holes 1.81344 mismatch_probability 0.0878905 one_core_each 1 pack 0.589017 percent_core_SASA 0.0930016 percent_core_SCN 0.162753 res_count_core_SASA 4 res_count_core_SCN 7 ss_sc 0.750912 two_core_each 0.666667 unsat_hbond 1
HHH_rd2_0250.pdb
ATOM 1 N PRO A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA PRO A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C PRO A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O PRO A 1 1.302 2.371 -0.335 1.00 0.00 O ATOM 5 CB PRO A 1 1.803 -0.740 -1.297 1.00 0.00 C ATOM 6 CG PRO A 1 0.696 -0.379 -2.228 1.00 0.00 C ATOM 7 CD PRO A 1 -0.531 -0.346 -1.357 1.00 0.00 C ATOM 8 1H PRO A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 9 2H PRO A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 10 HA PRO A 1 1.804 -0.499 0.904 1.00 0.00 H ATOM 11 1HB PRO A 1 2.790 -0.419 -1.662 1.00 0.00 H ATOM 12 2HB PRO A 1 1.866 -1.821 -1.107 1.00 0.00 H ATOM 13 1HG PRO A 1 0.903 0.590 -2.706 1.00 0.00 H ATOM 14 2HG PRO A 1 0.623 -1.122 -3.036 1.00 0.00 H ATOM 15 1HD PRO A 1 -1.220 0.430 -1.723 1.00 0.00 H ATOM 16 2HD PRO A 1 -1.016 -1.333 -1.369 1.00 0.00 H ATOM 17 N ASP A 2 3.275 1.558 0.378 1.00 0.00 N ATOM 18 CA ASP A 2 3.929 2.861 0.404 1.00 0.00 C ATOM 19 C ASP A 2 4.017 3.461 -0.994 1.00 0.00 C ATOM 20 O ASP A 2 3.936 4.678 -1.163 1.00 0.00 O ATOM 21 CB ASP A 2 5.332 2.745 1.005 1.00 0.00 C ATOM 22 CG ASP A 2 5.315 2.469 2.502 1.00 0.00 C ATOM 23 OD1 ASP A 2 4.274 2.611 3.100 1.00 0.00 O ATOM 24 OD2 ASP A 2 6.341 2.119 3.033 1.00 0.00 O ATOM 25 H ASP A 2 3.798 0.739 0.654 1.00 0.00 H ATOM 26 HA ASP A 2 3.344 3.530 1.036 1.00 0.00 H ATOM 27 1HB ASP A 2 5.876 1.941 0.508 1.00 0.00 H ATOM 28 2HB ASP A 2 5.882 3.670 0.827 1.00 0.00 H ATOM 29 N LYS A 3 4.183 2.601 -1.992 1.00 0.00 N ATOM 30 CA LYS A 3 4.176 3.033 -3.385 1.00 0.00 C ATOM 31 C LYS A 3 2.906 3.806 -3.715 1.00 0.00 C ATOM 32 O LYS A 3 2.959 4.883 -4.309 1.00 0.00 O ATOM 33 CB LYS A 3 4.317 1.831 -4.320 1.00 0.00 C ATOM 34 CG LYS A 3 4.318 2.183 -5.801 1.00 0.00 C ATOM 35 CD LYS A 3 4.503 0.943 -6.664 1.00 0.00 C ATOM 36 CE LYS A 3 4.455 1.286 -8.145 1.00 0.00 C ATOM 37 NZ LYS A 3 4.665 0.087 -9.001 1.00 0.00 N ATOM 38 H LYS A 3 4.319 1.623 -1.782 1.00 0.00 H ATOM 39 HA LYS A 3 5.035 3.685 -3.550 1.00 0.00 H ATOM 40 1HB LYS A 3 5.248 1.307 -4.100 1.00 0.00 H ATOM 41 2HB LYS A 3 3.499 1.133 -4.142 1.00 0.00 H ATOM 42 1HG LYS A 3 3.373 2.660 -6.063 1.00 0.00 H ATOM 43 2HG LYS A 3 5.127 2.883 -6.009 1.00 0.00 H ATOM 44 1HD LYS A 3 5.464 0.481 -6.437 1.00 0.00 H ATOM 45 2HD LYS A 3 3.713 0.225 -6.441 1.00 0.00 H ATOM 46 1HE LYS A 3 3.487 1.724 -8.386 1.00 0.00 H ATOM 47 2HE LYS A 3 5.228 2.020 -8.374 1.00 0.00 H ATOM 48 1HZ LYS A 3 4.627 0.356 -9.974 1.00 0.00 H ATOM 49 2HZ LYS A 3 5.569 -0.317 -8.799 1.00 0.00 H ATOM 50 3HZ LYS A 3 3.943 -0.593 -8.812 1.00 0.00 H ATOM 51 N ALA A 4 1.763 3.251 -3.326 1.00 0.00 N ATOM 52 CA ALA A 4 0.476 3.890 -3.575 1.00 0.00 C ATOM 53 C ALA A 4 0.401 5.256 -2.905 1.00 0.00 C ATOM 54 O ALA A 4 -0.064 6.226 -3.502 1.00 0.00 O ATOM 55 CB ALA A 4 -0.660 3.000 -3.092 1.00 0.00 C ATOM 56 H ALA A 4 1.786 2.363 -2.846 1.00 0.00 H ATOM 57 HA ALA A 4 0.358 4.022 -4.651 1.00 0.00 H ATOM 58 1HB ALA A 4 -1.614 3.491 -3.285 1.00 0.00 H ATOM 59 2HB ALA A 4 -0.628 2.049 -3.623 1.00 0.00 H ATOM 60 3HB ALA A 4 -0.553 2.823 -2.023 1.00 0.00 H ATOM 61 N GLU A 5 0.862 5.324 -1.660 1.00 0.00 N ATOM 62 CA GLU A 5 0.900 6.583 -0.926 1.00 0.00 C ATOM 63 C GLU A 5 1.721 7.630 -1.668 1.00 0.00 C ATOM 64 O GLU A 5 1.290 8.772 -1.828 1.00 0.00 O ATOM 65 CB GLU A 5 1.479 6.367 0.474 1.00 0.00 C ATOM 66 CG GLU A 5 1.543 7.624 1.329 1.00 0.00 C ATOM 67 CD GLU A 5 2.127 7.376 2.692 1.00 0.00 C ATOM 68 OE1 GLU A 5 2.353 6.236 3.022 1.00 0.00 O ATOM 69 OE2 GLU A 5 2.346 8.327 3.405 1.00 0.00 O ATOM 70 H GLU A 5 1.194 4.483 -1.211 1.00 0.00 H ATOM 71 HA GLU A 5 -0.121 6.952 -0.817 1.00 0.00 H ATOM 72 1HB GLU A 5 0.876 5.631 1.007 1.00 0.00 H ATOM 73 2HB GLU A 5 2.489 5.965 0.393 1.00 0.00 H ATOM 74 1HG GLU A 5 2.152 8.369 0.817 1.00 0.00 H ATOM 75 2HG GLU A 5 0.538 8.030 1.438 1.00 0.00 H ATOM 76 N LYS A 6 2.905 7.233 -2.121 1.00 0.00 N ATOM 77 CA LYS A 6 3.793 8.139 -2.841 1.00 0.00 C ATOM 78 C LYS A 6 3.146 8.638 -4.126 1.00 0.00 C ATOM 79 O LYS A 6 3.263 9.813 -4.476 1.00 0.00 O ATOM 80 CB LYS A 6 5.122 7.450 -3.154 1.00 0.00 C ATOM 81 CG LYS A 6 6.004 7.201 -1.938 1.00 0.00 C ATOM 82 CD LYS A 6 7.283 6.472 -2.323 1.00 0.00 C ATOM 83 CE LYS A 6 8.154 6.203 -1.105 1.00 0.00 C ATOM 84 NZ LYS A 6 9.400 5.472 -1.463 1.00 0.00 N ATOM 85 H LYS A 6 3.198 6.280 -1.963 1.00 0.00 H ATOM 86 HA LYS A 6 4.006 8.996 -2.201 1.00 0.00 H ATOM 87 1HB LYS A 6 4.929 6.488 -3.631 1.00 0.00 H ATOM 88 2HB LYS A 6 5.689 8.057 -3.860 1.00 0.00 H ATOM 89 1HG LYS A 6 6.263 8.154 -1.476 1.00 0.00 H ATOM 90 2HG LYS A 6 5.458 6.601 -1.210 1.00 0.00 H ATOM 91 1HD LYS A 6 7.032 5.523 -2.797 1.00 0.00 H ATOM 92 2HD LYS A 6 7.846 7.077 -3.034 1.00 0.00 H ATOM 93 1HE LYS A 6 8.424 7.147 -0.635 1.00 0.00 H ATOM 94 2HE LYS A 6 7.595 5.609 -0.382 1.00 0.00 H ATOM 95 1HZ LYS A 6 9.949 5.312 -0.630 1.00 0.00 H ATOM 96 2HZ LYS A 6 9.161 4.584 -1.884 1.00 0.00 H ATOM 97 3HZ LYS A 6 9.936 6.021 -2.119 1.00 0.00 H ATOM 98 N ILE A 7 2.462 7.740 -4.826 1.00 0.00 N ATOM 99 CA ILE A 7 1.752 8.099 -6.048 1.00 0.00 C ATOM 100 C ILE A 7 0.650 9.113 -5.768 1.00 0.00 C ATOM 101 O ILE A 7 0.513 10.108 -6.479 1.00 0.00 O ATOM 102 CB ILE A 7 1.145 6.852 -6.718 1.00 0.00 C ATOM 103 CG1 ILE A 7 2.253 5.940 -7.251 1.00 0.00 C ATOM 104 CG2 ILE A 7 0.199 7.257 -7.838 1.00 0.00 C ATOM 105 CD1 ILE A 7 1.773 4.561 -7.641 1.00 0.00 C ATOM 106 H ILE A 7 2.432 6.783 -4.504 1.00 0.00 H ATOM 107 HA ILE A 7 2.465 8.541 -6.745 1.00 0.00 H ATOM 108 HB ILE A 7 0.591 6.276 -5.978 1.00 0.00 H ATOM 109 1HG1 ILE A 7 2.714 6.400 -8.124 1.00 0.00 H ATOM 110 2HG1 ILE A 7 3.029 5.829 -6.493 1.00 0.00 H ATOM 111 1HG2 ILE A 7 -0.220 6.364 -8.301 1.00 0.00 H ATOM 112 2HG2 ILE A 7 -0.606 7.867 -7.431 1.00 0.00 H ATOM 113 3HG2 ILE A 7 0.746 7.831 -8.586 1.00 0.00 H ATOM 114 1HD1 ILE A 7 2.615 3.973 -8.008 1.00 0.00 H ATOM 115 2HD1 ILE A 7 1.339 4.067 -6.771 1.00 0.00 H ATOM 116 3HD1 ILE A 7 1.021 4.645 -8.424 1.00 0.00 H ATOM 117 N LEU A 8 -0.134 8.854 -4.726 1.00 0.00 N ATOM 118 CA LEU A 8 -1.236 9.735 -4.359 1.00 0.00 C ATOM 119 C LEU A 8 -0.729 11.117 -3.968 1.00 0.00 C ATOM 120 O LEU A 8 -1.296 12.134 -4.369 1.00 0.00 O ATOM 121 CB LEU A 8 -2.035 9.129 -3.199 1.00 0.00 C ATOM 122 CG LEU A 8 -2.839 7.867 -3.533 1.00 0.00 C ATOM 123 CD1 LEU A 8 -3.276 7.186 -2.243 1.00 0.00 C ATOM 124 CD2 LEU A 8 -4.041 8.242 -4.387 1.00 0.00 C ATOM 125 H LEU A 8 0.039 8.026 -4.175 1.00 0.00 H ATOM 126 HA LEU A 8 -1.899 9.837 -5.219 1.00 0.00 H ATOM 127 1HB LEU A 8 -1.344 8.879 -2.395 1.00 0.00 H ATOM 128 2HB LEU A 8 -2.734 9.880 -2.829 1.00 0.00 H ATOM 129 HG LEU A 8 -2.208 7.167 -4.082 1.00 0.00 H ATOM 130 1HD1 LEU A 8 -3.847 6.289 -2.480 1.00 0.00 H ATOM 131 2HD1 LEU A 8 -2.396 6.911 -1.661 1.00 0.00 H ATOM 132 3HD1 LEU A 8 -3.897 7.868 -1.664 1.00 0.00 H ATOM 133 1HD2 LEU A 8 -4.613 7.344 -4.625 1.00 0.00 H ATOM 134 2HD2 LEU A 8 -4.674 8.940 -3.839 1.00 0.00 H ATOM 135 3HD2 LEU A 8 -3.700 8.710 -5.310 1.00 0.00 H ATOM 136 N ARG A 9 0.343 11.149 -3.183 1.00 0.00 N ATOM 137 CA ARG A 9 0.955 12.407 -2.773 1.00 0.00 C ATOM 138 C ARG A 9 1.507 13.167 -3.972 1.00 0.00 C ATOM 139 O ARG A 9 1.350 14.384 -4.073 1.00 0.00 O ATOM 140 CB ARG A 9 2.076 12.156 -1.775 1.00 0.00 C ATOM 141 CG ARG A 9 1.617 11.716 -0.394 1.00 0.00 C ATOM 142 CD ARG A 9 2.762 11.545 0.537 1.00 0.00 C ATOM 143 NE ARG A 9 2.338 11.026 1.828 1.00 0.00 N ATOM 144 CZ ARG A 9 1.836 11.777 2.827 1.00 0.00 C ATOM 145 NH1 ARG A 9 1.702 13.075 2.669 1.00 0.00 N ATOM 146 NH2 ARG A 9 1.480 11.209 3.966 1.00 0.00 N ATOM 147 H ARG A 9 0.743 10.279 -2.862 1.00 0.00 H ATOM 148 HA ARG A 9 0.195 13.021 -2.289 1.00 0.00 H ATOM 149 1HB ARG A 9 2.741 11.385 -2.162 1.00 0.00 H ATOM 150 2HB ARG A 9 2.665 13.065 -1.653 1.00 0.00 H ATOM 151 1HG ARG A 9 0.946 12.468 0.023 1.00 0.00 H ATOM 152 2HG ARG A 9 1.092 10.764 -0.471 1.00 0.00 H ATOM 153 1HD ARG A 9 3.479 10.846 0.107 1.00 0.00 H ATOM 154 2HD ARG A 9 3.246 12.507 0.699 1.00 0.00 H ATOM 155 HE ARG A 9 2.427 10.031 1.986 1.00 0.00 H ATOM 156 1HH1 ARG A 9 1.974 13.510 1.799 1.00 0.00 H ATOM 157 2HH1 ARG A 9 1.325 13.638 3.418 1.00 0.00 H ATOM 158 1HH2 ARG A 9 1.583 10.211 4.087 1.00 0.00 H ATOM 159 2HH2 ARG A 9 1.103 11.772 4.714 1.00 0.00 H ATOM 160 N GLU A 10 2.154 12.443 -4.878 1.00 0.00 N ATOM 161 CA GLU A 10 2.690 13.040 -6.096 1.00 0.00 C ATOM 162 C GLU A 10 1.594 13.725 -6.902 1.00 0.00 C ATOM 163 O GLU A 10 1.748 14.869 -7.330 1.00 0.00 O ATOM 164 CB GLU A 10 3.379 11.976 -6.953 1.00 0.00 C ATOM 165 CG GLU A 10 3.959 12.501 -8.259 1.00 0.00 C ATOM 166 CD GLU A 10 4.619 11.427 -9.079 1.00 0.00 C ATOM 167 OE1 GLU A 10 4.945 10.402 -8.529 1.00 0.00 O ATOM 168 OE2 GLU A 10 4.797 11.632 -10.257 1.00 0.00 O ATOM 169 H GLU A 10 2.278 11.453 -4.720 1.00 0.00 H ATOM 170 HA GLU A 10 3.436 13.785 -5.816 1.00 0.00 H ATOM 171 1HB GLU A 10 4.190 11.521 -6.386 1.00 0.00 H ATOM 172 2HB GLU A 10 2.666 11.188 -7.197 1.00 0.00 H ATOM 173 1HG GLU A 10 3.159 12.949 -8.846 1.00 0.00 H ATOM 174 2HG GLU A 10 4.687 13.279 -8.034 1.00 0.00 H ATOM 175 N ALA A 11 0.488 13.018 -7.106 1.00 0.00 N ATOM 176 CA ALA A 11 -0.638 13.558 -7.859 1.00 0.00 C ATOM 177 C ALA A 11 -1.162 14.840 -7.223 1.00 0.00 C ATOM 178 O ALA A 11 -1.468 15.809 -7.918 1.00 0.00 O ATOM 179 CB ALA A 11 -1.751 12.525 -7.961 1.00 0.00 C ATOM 180 H ALA A 11 0.425 12.083 -6.730 1.00 0.00 H ATOM 181 HA ALA A 11 -0.302 13.783 -8.871 1.00 0.00 H ATOM 182 1HB ALA A 11 -2.584 12.943 -8.526 1.00 0.00 H ATOM 183 2HB ALA A 11 -1.377 11.637 -8.470 1.00 0.00 H ATOM 184 3HB ALA A 11 -2.090 12.255 -6.962 1.00 0.00 H ATOM 185 N LEU A 12 -1.264 14.838 -5.898 1.00 0.00 N ATOM 186 CA LEU A 12 -1.714 16.014 -5.163 1.00 0.00 C ATOM 187 C LEU A 12 -0.753 17.181 -5.350 1.00 0.00 C ATOM 188 O LEU A 12 -1.173 18.332 -5.463 1.00 0.00 O ATOM 189 CB LEU A 12 -1.848 15.687 -3.671 1.00 0.00 C ATOM 190 CG LEU A 12 -2.976 14.716 -3.301 1.00 0.00 C ATOM 191 CD1 LEU A 12 -2.847 14.321 -1.836 1.00 0.00 C ATOM 192 CD2 LEU A 12 -4.321 15.372 -3.574 1.00 0.00 C ATOM 193 H LEU A 12 -1.024 14.001 -5.387 1.00 0.00 H ATOM 194 HA LEU A 12 -2.694 16.305 -5.542 1.00 0.00 H ATOM 195 1HB LEU A 12 -0.911 15.254 -3.325 1.00 0.00 H ATOM 196 2HB LEU A 12 -2.017 16.615 -3.125 1.00 0.00 H ATOM 197 HG LEU A 12 -2.886 13.809 -3.900 1.00 0.00 H ATOM 198 1HD1 LEU A 12 -3.648 13.630 -1.573 1.00 0.00 H ATOM 199 2HD1 LEU A 12 -1.884 13.837 -1.673 1.00 0.00 H ATOM 200 3HD1 LEU A 12 -2.916 15.211 -1.212 1.00 0.00 H ATOM 201 1HD2 LEU A 12 -5.123 14.681 -3.312 1.00 0.00 H ATOM 202 2HD2 LEU A 12 -4.412 16.278 -2.975 1.00 0.00 H ATOM 203 3HD2 LEU A 12 -4.393 15.627 -4.631 1.00 0.00 H ATOM 204 N LYS A 13 0.540 16.877 -5.380 1.00 0.00 N ATOM 205 CA LYS A 13 1.562 17.895 -5.590 1.00 0.00 C ATOM 206 C LYS A 13 1.508 18.445 -7.010 1.00 0.00 C ATOM 207 O LYS A 13 1.703 19.641 -7.230 1.00 0.00 O ATOM 208 CB LYS A 13 2.952 17.328 -5.299 1.00 0.00 C ATOM 209 CG LYS A 13 3.227 17.062 -3.825 1.00 0.00 C ATOM 210 CD LYS A 13 4.610 16.461 -3.619 1.00 0.00 C ATOM 211 CE LYS A 13 4.881 16.184 -2.148 1.00 0.00 C ATOM 212 NZ LYS A 13 6.228 15.590 -1.933 1.00 0.00 N ATOM 213 H LYS A 13 0.823 15.915 -5.254 1.00 0.00 H ATOM 214 HA LYS A 13 1.385 18.713 -4.891 1.00 0.00 H ATOM 215 1HB LYS A 13 3.082 16.389 -5.838 1.00 0.00 H ATOM 216 2HB LYS A 13 3.712 18.021 -5.661 1.00 0.00 H ATOM 217 1HG LYS A 13 3.160 17.997 -3.267 1.00 0.00 H ATOM 218 2HG LYS A 13 2.479 16.372 -3.434 1.00 0.00 H ATOM 219 1HD LYS A 13 4.687 15.527 -4.177 1.00 0.00 H ATOM 220 2HD LYS A 13 5.365 17.151 -3.995 1.00 0.00 H ATOM 221 1HE LYS A 13 4.813 17.114 -1.585 1.00 0.00 H ATOM 222 2HE LYS A 13 4.129 15.496 -1.763 1.00 0.00 H ATOM 223 1HZ LYS A 13 6.369 15.422 -0.947 1.00 0.00 H ATOM 224 2HZ LYS A 13 6.296 14.717 -2.437 1.00 0.00 H ATOM 225 3HZ LYS A 13 6.936 16.228 -2.269 1.00 0.00 H ATOM 226 N ARG A 14 1.243 17.566 -7.970 1.00 0.00 N ATOM 227 CA ARG A 14 1.143 17.966 -9.368 1.00 0.00 C ATOM 228 C ARG A 14 -0.059 18.873 -9.598 1.00 0.00 C ATOM 229 O ARG A 14 -0.002 19.803 -10.403 1.00 0.00 O ATOM 230 CB ARG A 14 1.031 16.743 -10.268 1.00 0.00 C ATOM 231 CG ARG A 14 2.316 15.947 -10.428 1.00 0.00 C ATOM 232 CD ARG A 14 2.134 14.788 -11.339 1.00 0.00 C ATOM 233 NE ARG A 14 3.354 14.008 -11.475 1.00 0.00 N ATOM 234 CZ ARG A 14 4.352 14.292 -12.333 1.00 0.00 C ATOM 235 NH1 ARG A 14 4.261 15.339 -13.124 1.00 0.00 N ATOM 236 NH2 ARG A 14 5.423 13.519 -12.381 1.00 0.00 N ATOM 237 H ARG A 14 1.106 16.596 -7.724 1.00 0.00 H ATOM 238 HA ARG A 14 2.049 18.510 -9.638 1.00 0.00 H ATOM 239 1HB ARG A 14 0.272 16.069 -9.872 1.00 0.00 H ATOM 240 2HB ARG A 14 0.707 17.052 -11.262 1.00 0.00 H ATOM 241 1HG ARG A 14 3.093 16.590 -10.842 1.00 0.00 H ATOM 242 2HG ARG A 14 2.635 15.571 -9.455 1.00 0.00 H ATOM 243 1HD ARG A 14 1.354 14.136 -10.947 1.00 0.00 H ATOM 244 2HD ARG A 14 1.846 15.144 -12.327 1.00 0.00 H ATOM 245 HE ARG A 14 3.460 13.195 -10.883 1.00 0.00 H ATOM 246 1HH1 ARG A 14 3.443 15.930 -13.087 1.00 0.00 H ATOM 247 2HH1 ARG A 14 5.010 15.552 -13.767 1.00 0.00 H ATOM 248 1HH2 ARG A 14 5.493 12.714 -11.773 1.00 0.00 H ATOM 249 2HH2 ARG A 14 6.171 13.732 -13.024 1.00 0.00 H ATOM 250 N GLY A 15 -1.146 18.598 -8.885 1.00 0.00 N ATOM 251 CA GLY A 15 -2.326 19.453 -8.927 1.00 0.00 C ATOM 252 C GLY A 15 -3.552 18.679 -9.394 1.00 0.00 C ATOM 253 O GLY A 15 -4.415 19.222 -10.084 1.00 0.00 O ATOM 254 H GLY A 15 -1.155 17.775 -8.300 1.00 0.00 H ATOM 255 1HA GLY A 15 -2.510 19.869 -7.936 1.00 0.00 H ATOM 256 2HA GLY A 15 -2.144 20.292 -9.598 1.00 0.00 H ATOM 257 N TYR A 16 -3.622 17.408 -9.015 1.00 0.00 N ATOM 258 CA TYR A 16 -4.777 16.576 -9.332 1.00 0.00 C ATOM 259 C TYR A 16 -5.740 16.499 -8.154 1.00 0.00 C ATOM 260 O TYR A 16 -5.328 16.578 -6.997 1.00 0.00 O ATOM 261 CB TYR A 16 -4.329 15.172 -9.744 1.00 0.00 C ATOM 262 CG TYR A 16 -3.632 15.124 -11.086 1.00 0.00 C ATOM 263 CD1 TYR A 16 -2.251 15.241 -11.155 1.00 0.00 C ATOM 264 CD2 TYR A 16 -4.373 14.961 -12.247 1.00 0.00 C ATOM 265 CE1 TYR A 16 -1.615 15.196 -12.380 1.00 0.00 C ATOM 266 CE2 TYR A 16 -3.736 14.916 -13.472 1.00 0.00 C ATOM 267 CZ TYR A 16 -2.363 15.033 -13.540 1.00 0.00 C ATOM 268 OH TYR A 16 -1.729 14.989 -14.761 1.00 0.00 O ATOM 269 H TYR A 16 -2.856 17.007 -8.493 1.00 0.00 H ATOM 270 HA TYR A 16 -5.312 17.031 -10.166 1.00 0.00 H ATOM 271 1HB TYR A 16 -3.648 14.772 -8.992 1.00 0.00 H ATOM 272 2HB TYR A 16 -5.195 14.512 -9.787 1.00 0.00 H ATOM 273 HD1 TYR A 16 -1.669 15.369 -10.242 1.00 0.00 H ATOM 274 HD2 TYR A 16 -5.458 14.870 -12.193 1.00 0.00 H ATOM 275 HE1 TYR A 16 -0.530 15.289 -12.434 1.00 0.00 H ATOM 276 HE2 TYR A 16 -4.319 14.790 -14.385 1.00 0.00 H ATOM 277 HH TYR A 16 -2.382 14.876 -15.456 1.00 0.00 H ATOM 278 N SER A 17 -7.025 16.344 -8.456 1.00 0.00 N ATOM 279 CA SER A 17 -8.041 16.185 -7.423 1.00 0.00 C ATOM 280 C SER A 17 -7.915 14.835 -6.729 1.00 0.00 C ATOM 281 O SER A 17 -7.297 13.910 -7.257 1.00 0.00 O ATOM 282 CB SER A 17 -9.425 16.327 -8.025 1.00 0.00 C ATOM 283 OG SER A 17 -9.735 15.227 -8.836 1.00 0.00 O ATOM 284 H SER A 17 -7.305 16.335 -9.427 1.00 0.00 H ATOM 285 HA SER A 17 -7.900 16.968 -6.676 1.00 0.00 H ATOM 286 1HB SER A 17 -10.162 16.414 -7.227 1.00 0.00 H ATOM 287 2HB SER A 17 -9.473 17.242 -8.615 1.00 0.00 H ATOM 288 HG SER A 17 -10.198 15.582 -9.599 1.00 0.00 H ATOM 289 N PRO A 18 -8.506 14.727 -5.544 1.00 0.00 N ATOM 290 CA PRO A 18 -8.486 13.480 -4.789 1.00 0.00 C ATOM 291 C PRO A 18 -8.947 12.309 -5.646 1.00 0.00 C ATOM 292 O PRO A 18 -8.380 11.218 -5.581 1.00 0.00 O ATOM 293 CB PRO A 18 -9.461 13.757 -3.640 1.00 0.00 C ATOM 294 CG PRO A 18 -9.347 15.225 -3.409 1.00 0.00 C ATOM 295 CD PRO A 18 -9.211 15.811 -4.789 1.00 0.00 C ATOM 296 HA PRO A 18 -7.463 13.291 -4.460 1.00 0.00 H ATOM 297 1HB PRO A 18 -10.477 13.448 -3.926 1.00 0.00 H ATOM 298 2HB PRO A 18 -9.181 13.163 -2.757 1.00 0.00 H ATOM 299 1HG PRO A 18 -10.235 15.596 -2.877 1.00 0.00 H ATOM 300 2HG PRO A 18 -8.479 15.443 -2.769 1.00 0.00 H ATOM 301 1HD PRO A 18 -10.210 16.011 -5.204 1.00 0.00 H ATOM 302 2HD PRO A 18 -8.620 16.738 -4.738 1.00 0.00 H ATOM 303 N GLU A 19 -9.978 12.541 -6.451 1.00 0.00 N ATOM 304 CA GLU A 19 -10.526 11.502 -7.315 1.00 0.00 C ATOM 305 C GLU A 19 -9.556 11.148 -8.435 1.00 0.00 C ATOM 306 O GLU A 19 -9.377 9.976 -8.767 1.00 0.00 O ATOM 307 CB GLU A 19 -11.863 11.951 -7.907 1.00 0.00 C ATOM 308 CG GLU A 19 -12.571 10.889 -8.739 1.00 0.00 C ATOM 309 CD GLU A 19 -12.962 9.681 -7.934 1.00 0.00 C ATOM 310 OE1 GLU A 19 -13.028 9.786 -6.733 1.00 0.00 O ATOM 311 OE2 GLU A 19 -13.195 8.651 -8.522 1.00 0.00 O ATOM 312 H GLU A 19 -10.393 13.462 -6.466 1.00 0.00 H ATOM 313 HA GLU A 19 -10.704 10.610 -6.712 1.00 0.00 H ATOM 314 1HB GLU A 19 -12.536 12.249 -7.103 1.00 0.00 H ATOM 315 2HB GLU A 19 -11.706 12.822 -8.542 1.00 0.00 H ATOM 316 1HG GLU A 19 -13.467 11.325 -9.178 1.00 0.00 H ATOM 317 2HG GLU A 19 -11.914 10.582 -9.551 1.00 0.00 H ATOM 318 N GLN A 20 -8.932 12.168 -9.014 1.00 0.00 N ATOM 319 CA GLN A 20 -7.945 11.964 -10.067 1.00 0.00 C ATOM 320 C GLN A 20 -6.710 11.250 -9.534 1.00 0.00 C ATOM 321 O GLN A 20 -6.115 10.420 -10.221 1.00 0.00 O ATOM 322 CB GLN A 20 -7.545 13.302 -10.694 1.00 0.00 C ATOM 323 CG GLN A 20 -8.631 13.942 -11.542 1.00 0.00 C ATOM 324 CD GLN A 20 -8.244 15.325 -12.031 1.00 0.00 C ATOM 325 OE1 GLN A 20 -7.685 16.130 -11.280 1.00 0.00 O ATOM 326 NE2 GLN A 20 -8.540 15.609 -13.294 1.00 0.00 N ATOM 327 H GLN A 20 -9.148 13.109 -8.718 1.00 0.00 H ATOM 328 HA GLN A 20 -8.394 11.349 -10.848 1.00 0.00 H ATOM 329 1HB GLN A 20 -7.274 14.006 -9.907 1.00 0.00 H ATOM 330 2HB GLN A 20 -6.666 13.161 -11.323 1.00 0.00 H ATOM 331 1HG GLN A 20 -8.817 13.312 -12.412 1.00 0.00 H ATOM 332 2HG GLN A 20 -9.538 14.031 -10.945 1.00 0.00 H ATOM 333 1HE2 GLN A 20 -8.309 16.507 -13.672 1.00 0.00 H ATOM 334 2HE2 GLN A 20 -8.993 14.927 -13.868 1.00 0.00 H ATOM 335 N ALA A 21 -6.329 11.577 -8.304 1.00 0.00 N ATOM 336 CA ALA A 21 -5.187 10.939 -7.660 1.00 0.00 C ATOM 337 C ALA A 21 -5.396 9.435 -7.532 1.00 0.00 C ATOM 338 O ALA A 21 -4.489 8.647 -7.800 1.00 0.00 O ATOM 339 CB ALA A 21 -4.936 11.556 -6.292 1.00 0.00 C ATOM 340 H ALA A 21 -6.843 12.286 -7.802 1.00 0.00 H ATOM 341 HA ALA A 21 -4.301 11.117 -8.270 1.00 0.00 H ATOM 342 1HB ALA A 21 -4.081 11.069 -5.824 1.00 0.00 H ATOM 343 2HB ALA A 21 -4.730 12.621 -6.405 1.00 0.00 H ATOM 344 3HB ALA A 21 -5.817 11.422 -5.666 1.00 0.00 H ATOM 345 N VAL A 22 -6.597 9.043 -7.120 1.00 0.00 N ATOM 346 CA VAL A 22 -6.952 7.632 -7.026 1.00 0.00 C ATOM 347 C VAL A 22 -6.930 6.966 -8.396 1.00 0.00 C ATOM 348 O VAL A 22 -6.424 5.854 -8.548 1.00 0.00 O ATOM 349 CB VAL A 22 -8.352 7.474 -6.404 1.00 0.00 C ATOM 350 CG1 VAL A 22 -8.821 6.030 -6.508 1.00 0.00 C ATOM 351 CG2 VAL A 22 -8.328 7.930 -4.953 1.00 0.00 C ATOM 352 H VAL A 22 -7.282 9.741 -6.866 1.00 0.00 H ATOM 353 HA VAL A 22 -6.225 7.135 -6.383 1.00 0.00 H ATOM 354 HB VAL A 22 -9.060 8.083 -6.965 1.00 0.00 H ATOM 355 1HG1 VAL A 22 -9.812 5.936 -6.063 1.00 0.00 H ATOM 356 2HG1 VAL A 22 -8.865 5.736 -7.557 1.00 0.00 H ATOM 357 3HG1 VAL A 22 -8.123 5.382 -5.977 1.00 0.00 H ATOM 358 1HG2 VAL A 22 -9.321 7.815 -4.519 1.00 0.00 H ATOM 359 2HG2 VAL A 22 -7.615 7.324 -4.393 1.00 0.00 H ATOM 360 3HG2 VAL A 22 -8.030 8.977 -4.905 1.00 0.00 H ATOM 361 N GLU A 23 -7.481 7.652 -9.391 1.00 0.00 N ATOM 362 CA GLU A 23 -7.465 7.160 -10.763 1.00 0.00 C ATOM 363 C GLU A 23 -6.042 6.878 -11.230 1.00 0.00 C ATOM 364 O GLU A 23 -5.765 5.829 -11.811 1.00 0.00 O ATOM 365 CB GLU A 23 -8.129 8.170 -11.701 1.00 0.00 C ATOM 366 CG GLU A 23 -8.146 7.752 -13.164 1.00 0.00 C ATOM 367 CD GLU A 23 -8.775 8.784 -14.060 1.00 0.00 C ATOM 368 OE1 GLU A 23 -9.372 9.701 -13.550 1.00 0.00 O ATOM 369 OE2 GLU A 23 -8.657 8.654 -15.255 1.00 0.00 O ATOM 370 H GLU A 23 -7.924 8.538 -9.192 1.00 0.00 H ATOM 371 HA GLU A 23 -8.036 6.232 -10.804 1.00 0.00 H ATOM 372 1HB GLU A 23 -9.160 8.333 -11.387 1.00 0.00 H ATOM 373 2HB GLU A 23 -7.611 9.126 -11.632 1.00 0.00 H ATOM 374 1HG GLU A 23 -7.122 7.577 -13.494 1.00 0.00 H ATOM 375 2HG GLU A 23 -8.694 6.815 -13.258 1.00 0.00 H ATOM 376 N ILE A 24 -5.143 7.822 -10.972 1.00 0.00 N ATOM 377 CA ILE A 24 -3.743 7.671 -11.353 1.00 0.00 C ATOM 378 C ILE A 24 -3.124 6.443 -10.698 1.00 0.00 C ATOM 379 O ILE A 24 -2.458 5.645 -11.357 1.00 0.00 O ATOM 380 CB ILE A 24 -2.932 8.922 -10.970 1.00 0.00 C ATOM 381 CG1 ILE A 24 -3.349 10.114 -11.835 1.00 0.00 C ATOM 382 CG2 ILE A 24 -1.442 8.653 -11.111 1.00 0.00 C ATOM 383 CD1 ILE A 24 -2.839 11.444 -11.329 1.00 0.00 C ATOM 384 H ILE A 24 -5.436 8.665 -10.501 1.00 0.00 H ATOM 385 HA ILE A 24 -3.690 7.554 -12.436 1.00 0.00 H ATOM 386 HB ILE A 24 -3.146 9.192 -9.936 1.00 0.00 H ATOM 387 1HG1 ILE A 24 -2.983 9.972 -12.851 1.00 0.00 H ATOM 388 2HG1 ILE A 24 -4.437 10.164 -11.885 1.00 0.00 H ATOM 389 1HG2 ILE A 24 -0.883 9.548 -10.837 1.00 0.00 H ATOM 390 2HG2 ILE A 24 -1.156 7.833 -10.455 1.00 0.00 H ATOM 391 3HG2 ILE A 24 -1.216 8.387 -12.144 1.00 0.00 H ATOM 392 1HD1 ILE A 24 -3.176 12.240 -11.994 1.00 0.00 H ATOM 393 2HD1 ILE A 24 -3.224 11.623 -10.324 1.00 0.00 H ATOM 394 3HD1 ILE A 24 -1.750 11.430 -11.304 1.00 0.00 H ATOM 395 N ALA A 25 -3.347 6.297 -9.396 1.00 0.00 N ATOM 396 CA ALA A 25 -2.859 5.136 -8.660 1.00 0.00 C ATOM 397 C ALA A 25 -3.444 3.845 -9.218 1.00 0.00 C ATOM 398 O ALA A 25 -2.741 2.844 -9.358 1.00 0.00 O ATOM 399 CB ALA A 25 -3.189 5.270 -7.181 1.00 0.00 C ATOM 400 H ALA A 25 -3.869 7.008 -8.903 1.00 0.00 H ATOM 401 HA ALA A 25 -1.774 5.098 -8.755 1.00 0.00 H ATOM 402 1HB ALA A 25 -2.818 4.396 -6.645 1.00 0.00 H ATOM 403 2HB ALA A 25 -2.715 6.168 -6.782 1.00 0.00 H ATOM 404 3HB ALA A 25 -4.268 5.343 -7.054 1.00 0.00 H ATOM 405 N LYS A 26 -4.734 3.874 -9.536 1.00 0.00 N ATOM 406 CA LYS A 26 -5.402 2.724 -10.134 1.00 0.00 C ATOM 407 C LYS A 26 -4.757 2.340 -11.459 1.00 0.00 C ATOM 408 O LYS A 26 -4.531 1.162 -11.732 1.00 0.00 O ATOM 409 CB LYS A 26 -6.890 3.015 -10.336 1.00 0.00 C ATOM 410 CG LYS A 26 -7.693 1.837 -10.873 1.00 0.00 C ATOM 411 CD LYS A 26 -9.178 2.162 -10.931 1.00 0.00 C ATOM 412 CE LYS A 26 -9.984 0.981 -11.452 1.00 0.00 C ATOM 413 NZ LYS A 26 -11.447 1.252 -11.429 1.00 0.00 N ATOM 414 H LYS A 26 -5.265 4.714 -9.359 1.00 0.00 H ATOM 415 HA LYS A 26 -5.319 1.880 -9.447 1.00 0.00 H ATOM 416 1HB LYS A 26 -7.334 3.318 -9.388 1.00 0.00 H ATOM 417 2HB LYS A 26 -7.006 3.845 -11.033 1.00 0.00 H ATOM 418 1HG LYS A 26 -7.345 1.586 -11.876 1.00 0.00 H ATOM 419 2HG LYS A 26 -7.544 0.971 -10.229 1.00 0.00 H ATOM 420 1HD LYS A 26 -9.533 2.421 -9.932 1.00 0.00 H ATOM 421 2HD LYS A 26 -9.338 3.017 -11.587 1.00 0.00 H ATOM 422 1HE LYS A 26 -9.684 0.760 -12.475 1.00 0.00 H ATOM 423 2HE LYS A 26 -9.780 0.103 -10.840 1.00 0.00 H ATOM 424 1HZ LYS A 26 -11.945 0.447 -11.781 1.00 0.00 H ATOM 425 2HZ LYS A 26 -11.740 1.441 -10.480 1.00 0.00 H ATOM 426 3HZ LYS A 26 -11.651 2.053 -12.009 1.00 0.00 H ATOM 427 N ARG A 27 -4.464 3.343 -12.281 1.00 0.00 N ATOM 428 CA ARG A 27 -3.804 3.116 -13.561 1.00 0.00 C ATOM 429 C ARG A 27 -2.377 2.621 -13.365 1.00 0.00 C ATOM 430 O ARG A 27 -1.816 1.955 -14.235 1.00 0.00 O ATOM 431 CB ARG A 27 -3.786 4.394 -14.387 1.00 0.00 C ATOM 432 CG ARG A 27 -5.144 4.838 -14.908 1.00 0.00 C ATOM 433 CD ARG A 27 -5.046 6.093 -15.696 1.00 0.00 C ATOM 434 NE ARG A 27 -6.354 6.587 -16.094 1.00 0.00 N ATOM 435 CZ ARG A 27 -7.039 6.158 -17.172 1.00 0.00 C ATOM 436 NH1 ARG A 27 -6.527 5.229 -17.949 1.00 0.00 N ATOM 437 NH2 ARG A 27 -8.224 6.672 -17.450 1.00 0.00 N ATOM 438 H ARG A 27 -4.704 4.286 -12.011 1.00 0.00 H ATOM 439 HA ARG A 27 -4.365 2.359 -14.110 1.00 0.00 H ATOM 440 1HB ARG A 27 -3.380 5.208 -13.789 1.00 0.00 H ATOM 441 2HB ARG A 27 -3.130 4.261 -15.248 1.00 0.00 H ATOM 442 1HG ARG A 27 -5.559 4.061 -15.551 1.00 0.00 H ATOM 443 2HG ARG A 27 -5.817 5.012 -14.068 1.00 0.00 H ATOM 444 1HD ARG A 27 -4.559 6.862 -15.096 1.00 0.00 H ATOM 445 2HD ARG A 27 -4.462 5.912 -16.597 1.00 0.00 H ATOM 446 HE ARG A 27 -6.781 7.303 -15.521 1.00 0.00 H ATOM 447 1HH1 ARG A 27 -5.620 4.837 -17.737 1.00 0.00 H ATOM 448 2HH1 ARG A 27 -7.040 4.908 -18.757 1.00 0.00 H ATOM 449 1HH2 ARG A 27 -8.618 7.387 -16.853 1.00 0.00 H ATOM 450 2HH2 ARG A 27 -8.737 6.351 -18.257 1.00 0.00 H ATOM 451 N ALA A 28 -1.794 2.951 -12.218 1.00 0.00 N ATOM 452 CA ALA A 28 -0.447 2.501 -11.886 1.00 0.00 C ATOM 453 C ALA A 28 -0.449 1.048 -11.428 1.00 0.00 C ATOM 454 O ALA A 28 0.607 0.435 -11.274 1.00 0.00 O ATOM 455 CB ALA A 28 0.159 3.393 -10.813 1.00 0.00 C ATOM 456 H ALA A 28 -2.297 3.528 -11.559 1.00 0.00 H ATOM 457 HA ALA A 28 0.173 2.580 -12.778 1.00 0.00 H ATOM 458 1HB ALA A 28 1.165 3.045 -10.575 1.00 0.00 H ATOM 459 2HB ALA A 28 0.208 4.419 -11.177 1.00 0.00 H ATOM 460 3HB ALA A 28 -0.458 3.355 -9.917 1.00 0.00 H ATOM 461 N GLY A 29 -1.641 0.503 -11.213 1.00 0.00 N ATOM 462 CA GLY A 29 -1.785 -0.898 -10.832 1.00 0.00 C ATOM 463 C GLY A 29 -2.064 -1.037 -9.341 1.00 0.00 C ATOM 464 O GLY A 29 -1.821 -2.090 -8.750 1.00 0.00 O ATOM 465 H GLY A 29 -2.469 1.072 -11.315 1.00 0.00 H ATOM 466 1HA GLY A 29 -2.598 -1.348 -11.402 1.00 0.00 H ATOM 467 2HA GLY A 29 -0.876 -1.439 -11.088 1.00 0.00 H ATOM 468 N ILE A 30 -2.574 0.030 -8.737 1.00 0.00 N ATOM 469 CA ILE A 30 -2.941 0.010 -7.326 1.00 0.00 C ATOM 470 C ILE A 30 -4.431 -0.257 -7.148 1.00 0.00 C ATOM 471 O ILE A 30 -5.263 0.329 -7.841 1.00 0.00 O ATOM 472 CB ILE A 30 -2.572 1.339 -6.643 1.00 0.00 C ATOM 473 CG1 ILE A 30 -1.077 1.626 -6.806 1.00 0.00 C ATOM 474 CG2 ILE A 30 -2.954 1.305 -5.171 1.00 0.00 C ATOM 475 CD1 ILE A 30 -0.183 0.560 -6.216 1.00 0.00 C ATOM 476 H ILE A 30 -2.712 0.878 -9.269 1.00 0.00 H ATOM 477 HA ILE A 30 -2.391 -0.793 -6.837 1.00 0.00 H ATOM 478 HB ILE A 30 -3.105 2.157 -7.128 1.00 0.00 H ATOM 479 1HG1 ILE A 30 -0.839 1.724 -7.865 1.00 0.00 H ATOM 480 2HG1 ILE A 30 -0.835 2.576 -6.328 1.00 0.00 H ATOM 481 1HG2 ILE A 30 -2.685 2.252 -4.704 1.00 0.00 H ATOM 482 2HG2 ILE A 30 -4.027 1.146 -5.077 1.00 0.00 H ATOM 483 3HG2 ILE A 30 -2.421 0.493 -4.676 1.00 0.00 H ATOM 484 1HD1 ILE A 30 0.861 0.834 -6.371 1.00 0.00 H ATOM 485 2HD1 ILE A 30 -0.380 0.469 -5.148 1.00 0.00 H ATOM 486 3HD1 ILE A 30 -0.383 -0.393 -6.704 1.00 0.00 H ATOM 487 N THR A 31 -4.760 -1.144 -6.216 1.00 0.00 N ATOM 488 CA THR A 31 -6.152 -1.416 -5.875 1.00 0.00 C ATOM 489 C THR A 31 -6.899 -0.131 -5.543 1.00 0.00 C ATOM 490 O THR A 31 -6.500 0.617 -4.650 1.00 0.00 O ATOM 491 CB THR A 31 -6.251 -2.393 -4.689 1.00 0.00 C ATOM 492 OG1 THR A 31 -5.600 -3.625 -5.026 1.00 0.00 O ATOM 493 CG2 THR A 31 -7.707 -2.670 -4.347 1.00 0.00 C ATOM 494 H THR A 31 -4.028 -1.643 -5.731 1.00 0.00 H ATOM 495 HA THR A 31 -6.635 -1.878 -6.736 1.00 0.00 H ATOM 496 HB THR A 31 -5.755 -1.962 -3.820 1.00 0.00 H ATOM 497 HG1 THR A 31 -5.914 -4.322 -4.444 1.00 0.00 H ATOM 498 1HG2 THR A 31 -7.758 -3.362 -3.506 1.00 0.00 H ATOM 499 2HG2 THR A 31 -8.202 -1.737 -4.079 1.00 0.00 H ATOM 500 3HG2 THR A 31 -8.206 -3.111 -5.209 1.00 0.00 H ATOM 501 N GLU A 32 -7.984 0.121 -6.267 1.00 0.00 N ATOM 502 CA GLU A 32 -8.726 1.368 -6.128 1.00 0.00 C ATOM 503 C GLU A 32 -9.154 1.597 -4.684 1.00 0.00 C ATOM 504 O GLU A 32 -8.951 2.677 -4.130 1.00 0.00 O ATOM 505 CB GLU A 32 -9.955 1.363 -7.040 1.00 0.00 C ATOM 506 CG GLU A 32 -10.804 2.624 -6.959 1.00 0.00 C ATOM 507 CD GLU A 32 -12.018 2.569 -7.843 1.00 0.00 C ATOM 508 OE1 GLU A 32 -12.061 1.729 -8.710 1.00 0.00 O ATOM 509 OE2 GLU A 32 -12.904 3.368 -7.651 1.00 0.00 O ATOM 510 H GLU A 32 -8.303 -0.570 -6.931 1.00 0.00 H ATOM 511 HA GLU A 32 -8.079 2.191 -6.436 1.00 0.00 H ATOM 512 1HB GLU A 32 -9.639 1.238 -8.076 1.00 0.00 H ATOM 513 2HB GLU A 32 -10.591 0.514 -6.788 1.00 0.00 H ATOM 514 1HG GLU A 32 -11.125 2.767 -5.927 1.00 0.00 H ATOM 515 2HG GLU A 32 -10.192 3.479 -7.242 1.00 0.00 H ATOM 516 N GLU A 33 -9.747 0.573 -4.079 1.00 0.00 N ATOM 517 CA GLU A 33 -10.215 0.664 -2.701 1.00 0.00 C ATOM 518 C GLU A 33 -9.091 1.092 -1.766 1.00 0.00 C ATOM 519 O GLU A 33 -9.279 1.958 -0.911 1.00 0.00 O ATOM 520 CB GLU A 33 -10.789 -0.678 -2.243 1.00 0.00 C ATOM 521 CG GLU A 33 -11.346 -0.674 -0.827 1.00 0.00 C ATOM 522 CD GLU A 33 -11.953 -1.991 -0.432 1.00 0.00 C ATOM 523 OE1 GLU A 33 -11.946 -2.892 -1.237 1.00 0.00 O ATOM 524 OE2 GLU A 33 -12.425 -2.097 0.675 1.00 0.00 O ATOM 525 H GLU A 33 -9.877 -0.290 -4.587 1.00 0.00 H ATOM 526 HA GLU A 33 -11.011 1.407 -2.655 1.00 0.00 H ATOM 527 1HB GLU A 33 -11.591 -0.980 -2.917 1.00 0.00 H ATOM 528 2HB GLU A 33 -10.014 -1.443 -2.295 1.00 0.00 H ATOM 529 1HG GLU A 33 -10.541 -0.435 -0.132 1.00 0.00 H ATOM 530 2HG GLU A 33 -12.101 0.107 -0.747 1.00 0.00 H ATOM 531 N GLU A 34 -7.924 0.480 -1.932 1.00 0.00 N ATOM 532 CA GLU A 34 -6.781 0.764 -1.072 1.00 0.00 C ATOM 533 C GLU A 34 -6.230 2.160 -1.331 1.00 0.00 C ATOM 534 O GLU A 34 -5.808 2.853 -0.404 1.00 0.00 O ATOM 535 CB GLU A 34 -5.680 -0.277 -1.288 1.00 0.00 C ATOM 536 CG GLU A 34 -6.026 -1.671 -0.784 1.00 0.00 C ATOM 537 CD GLU A 34 -6.293 -1.709 0.695 1.00 0.00 C ATOM 538 OE1 GLU A 34 -5.675 -0.958 1.411 1.00 0.00 O ATOM 539 OE2 GLU A 34 -7.116 -2.490 1.110 1.00 0.00 O ATOM 540 H GLU A 34 -7.825 -0.199 -2.673 1.00 0.00 H ATOM 541 HA GLU A 34 -7.106 0.703 -0.033 1.00 0.00 H ATOM 542 1HB GLU A 34 -5.454 -0.352 -2.352 1.00 0.00 H ATOM 543 2HB GLU A 34 -4.770 0.045 -0.782 1.00 0.00 H ATOM 544 1HG GLU A 34 -6.910 -2.028 -1.311 1.00 0.00 H ATOM 545 2HG GLU A 34 -5.202 -2.345 -1.017 1.00 0.00 H ATOM 546 N ALA A 35 -6.237 2.569 -2.595 1.00 0.00 N ATOM 547 CA ALA A 35 -5.792 3.906 -2.970 1.00 0.00 C ATOM 548 C ALA A 35 -6.663 4.977 -2.326 1.00 0.00 C ATOM 549 O ALA A 35 -6.160 5.994 -1.848 1.00 0.00 O ATOM 550 CB ALA A 35 -5.797 4.060 -4.484 1.00 0.00 C ATOM 551 H ALA A 35 -6.558 1.937 -3.314 1.00 0.00 H ATOM 552 HA ALA A 35 -4.765 4.037 -2.628 1.00 0.00 H ATOM 553 1HB ALA A 35 -5.463 5.063 -4.749 1.00 0.00 H ATOM 554 2HB ALA A 35 -5.125 3.325 -4.927 1.00 0.00 H ATOM 555 3HB ALA A 35 -6.806 3.903 -4.862 1.00 0.00 H ATOM 556 N ARG A 36 -7.970 4.742 -2.316 1.00 0.00 N ATOM 557 CA ARG A 36 -8.911 5.671 -1.701 1.00 0.00 C ATOM 558 C ARG A 36 -8.712 5.737 -0.192 1.00 0.00 C ATOM 559 O ARG A 36 -8.730 6.817 0.400 1.00 0.00 O ATOM 560 CB ARG A 36 -10.344 5.260 -2.003 1.00 0.00 C ATOM 561 CG ARG A 36 -10.768 5.435 -3.452 1.00 0.00 C ATOM 562 CD ARG A 36 -12.193 5.071 -3.656 1.00 0.00 C ATOM 563 NE ARG A 36 -12.572 5.126 -5.059 1.00 0.00 N ATOM 564 CZ ARG A 36 -12.843 6.260 -5.734 1.00 0.00 C ATOM 565 NH1 ARG A 36 -12.772 7.422 -5.123 1.00 0.00 N ATOM 566 NH2 ARG A 36 -13.179 6.204 -7.011 1.00 0.00 N ATOM 567 H ARG A 36 -8.322 3.899 -2.746 1.00 0.00 H ATOM 568 HA ARG A 36 -8.741 6.664 -2.119 1.00 0.00 H ATOM 569 1HB ARG A 36 -10.485 4.212 -1.742 1.00 0.00 H ATOM 570 2HB ARG A 36 -11.028 5.845 -1.387 1.00 0.00 H ATOM 571 1HG ARG A 36 -10.634 6.476 -3.748 1.00 0.00 H ATOM 572 2HG ARG A 36 -10.156 4.795 -4.090 1.00 0.00 H ATOM 573 1HD ARG A 36 -12.365 4.057 -3.296 1.00 0.00 H ATOM 574 2HD ARG A 36 -12.828 5.764 -3.104 1.00 0.00 H ATOM 575 HE ARG A 36 -12.637 4.252 -5.563 1.00 0.00 H ATOM 576 1HH1 ARG A 36 -12.515 7.465 -4.147 1.00 0.00 H ATOM 577 2HH1 ARG A 36 -12.975 8.272 -5.629 1.00 0.00 H ATOM 578 1HH2 ARG A 36 -13.234 5.311 -7.481 1.00 0.00 H ATOM 579 2HH2 ARG A 36 -13.382 7.053 -7.517 1.00 0.00 H ATOM 580 N ARG A 37 -8.522 4.576 0.426 1.00 0.00 N ATOM 581 CA ARG A 37 -8.273 4.504 1.861 1.00 0.00 C ATOM 582 C ARG A 37 -7.013 5.271 2.241 1.00 0.00 C ATOM 583 O ARG A 37 -7.028 6.094 3.156 1.00 0.00 O ATOM 584 CB ARG A 37 -8.137 3.056 2.308 1.00 0.00 C ATOM 585 CG ARG A 37 -7.885 2.867 3.796 1.00 0.00 C ATOM 586 CD ARG A 37 -7.680 1.437 4.141 1.00 0.00 C ATOM 587 NE ARG A 37 -6.487 0.893 3.512 1.00 0.00 N ATOM 588 CZ ARG A 37 -5.227 1.146 3.915 1.00 0.00 C ATOM 589 NH1 ARG A 37 -5.012 1.933 4.945 1.00 0.00 N ATOM 590 NH2 ARG A 37 -4.207 0.601 3.275 1.00 0.00 N ATOM 591 H ARG A 37 -8.550 3.722 -0.112 1.00 0.00 H ATOM 592 HA ARG A 37 -9.123 4.947 2.382 1.00 0.00 H ATOM 593 1HB ARG A 37 -9.045 2.511 2.056 1.00 0.00 H ATOM 594 2HB ARG A 37 -7.312 2.586 1.772 1.00 0.00 H ATOM 595 1HG ARG A 37 -6.993 3.422 4.088 1.00 0.00 H ATOM 596 2HG ARG A 37 -8.743 3.237 4.360 1.00 0.00 H ATOM 597 1HD ARG A 37 -7.573 1.335 5.221 1.00 0.00 H ATOM 598 2HD ARG A 37 -8.538 0.855 3.806 1.00 0.00 H ATOM 599 HE ARG A 37 -6.613 0.282 2.716 1.00 0.00 H ATOM 600 1HH1 ARG A 37 -5.791 2.349 5.435 1.00 0.00 H ATOM 601 2HH1 ARG A 37 -4.067 2.122 5.248 1.00 0.00 H ATOM 602 1HH2 ARG A 37 -4.372 -0.004 2.483 1.00 0.00 H ATOM 603 2HH2 ARG A 37 -3.263 0.790 3.577 1.00 0.00 H ATOM 604 N ILE A 38 -5.923 4.995 1.534 1.00 0.00 N ATOM 605 CA ILE A 38 -4.648 5.648 1.805 1.00 0.00 C ATOM 606 C ILE A 38 -4.753 7.157 1.625 1.00 0.00 C ATOM 607 O ILE A 38 -4.239 7.926 2.438 1.00 0.00 O ATOM 608 CB ILE A 38 -3.542 5.097 0.887 1.00 0.00 C ATOM 609 CG1 ILE A 38 -3.227 3.642 1.244 1.00 0.00 C ATOM 610 CG2 ILE A 38 -2.291 5.956 0.986 1.00 0.00 C ATOM 611 CD1 ILE A 38 -2.371 2.933 0.219 1.00 0.00 C ATOM 612 H ILE A 38 -5.978 4.315 0.789 1.00 0.00 H ATOM 613 HA ILE A 38 -4.364 5.438 2.837 1.00 0.00 H ATOM 614 HB ILE A 38 -3.891 5.099 -0.145 1.00 0.00 H ATOM 615 1HG1 ILE A 38 -2.711 3.607 2.203 1.00 0.00 H ATOM 616 2HG1 ILE A 38 -4.157 3.085 1.354 1.00 0.00 H ATOM 617 1HG2 ILE A 38 -1.519 5.552 0.331 1.00 0.00 H ATOM 618 2HG2 ILE A 38 -2.525 6.976 0.684 1.00 0.00 H ATOM 619 3HG2 ILE A 38 -1.930 5.956 2.015 1.00 0.00 H ATOM 620 1HD1 ILE A 38 -2.191 1.907 0.542 1.00 0.00 H ATOM 621 2HD1 ILE A 38 -2.886 2.926 -0.742 1.00 0.00 H ATOM 622 3HD1 ILE A 38 -1.420 3.453 0.118 1.00 0.00 H ATOM 623 N LEU A 39 -5.421 7.575 0.556 1.00 0.00 N ATOM 624 CA LEU A 39 -5.602 8.994 0.272 1.00 0.00 C ATOM 625 C LEU A 39 -6.333 9.695 1.411 1.00 0.00 C ATOM 626 O LEU A 39 -5.978 10.809 1.795 1.00 0.00 O ATOM 627 CB LEU A 39 -6.384 9.177 -1.035 1.00 0.00 C ATOM 628 CG LEU A 39 -6.600 10.629 -1.483 1.00 0.00 C ATOM 629 CD1 LEU A 39 -5.251 11.303 -1.689 1.00 0.00 C ATOM 630 CD2 LEU A 39 -7.422 10.648 -2.763 1.00 0.00 C ATOM 631 H LEU A 39 -5.814 6.893 -0.077 1.00 0.00 H ATOM 632 HA LEU A 39 -4.620 9.451 0.153 1.00 0.00 H ATOM 633 1HB LEU A 39 -5.854 8.660 -1.832 1.00 0.00 H ATOM 634 2HB LEU A 39 -7.365 8.717 -0.920 1.00 0.00 H ATOM 635 HG LEU A 39 -7.131 11.175 -0.703 1.00 0.00 H ATOM 636 1HD1 LEU A 39 -5.404 12.334 -2.007 1.00 0.00 H ATOM 637 2HD1 LEU A 39 -4.692 11.292 -0.753 1.00 0.00 H ATOM 638 3HD1 LEU A 39 -4.689 10.767 -2.453 1.00 0.00 H ATOM 639 1HD2 LEU A 39 -7.576 11.680 -3.081 1.00 0.00 H ATOM 640 2HD2 LEU A 39 -6.892 10.103 -3.544 1.00 0.00 H ATOM 641 3HD2 LEU A 39 -8.388 10.176 -2.583 1.00 0.00 H ATOM 642 N LYS A 40 -7.354 9.035 1.946 1.00 0.00 N ATOM 643 CA LYS A 40 -8.090 9.561 3.090 1.00 0.00 C ATOM 644 C LYS A 40 -7.176 9.753 4.293 1.00 0.00 C ATOM 645 O LYS A 40 -7.342 10.695 5.067 1.00 0.00 O ATOM 646 CB LYS A 40 -9.250 8.631 3.453 1.00 0.00 C ATOM 647 CG LYS A 40 -10.408 8.655 2.465 1.00 0.00 C ATOM 648 CD LYS A 40 -11.495 7.669 2.865 1.00 0.00 C ATOM 649 CE LYS A 40 -12.649 7.683 1.873 1.00 0.00 C ATOM 650 NZ LYS A 40 -13.716 6.715 2.246 1.00 0.00 N ATOM 651 H LYS A 40 -7.628 8.147 1.551 1.00 0.00 H ATOM 652 HA LYS A 40 -8.513 10.527 2.814 1.00 0.00 H ATOM 653 1HB LYS A 40 -8.887 7.605 3.519 1.00 0.00 H ATOM 654 2HB LYS A 40 -9.641 8.904 4.434 1.00 0.00 H ATOM 655 1HG LYS A 40 -10.835 9.658 2.428 1.00 0.00 H ATOM 656 2HG LYS A 40 -10.044 8.397 1.471 1.00 0.00 H ATOM 657 1HD LYS A 40 -11.077 6.662 2.908 1.00 0.00 H ATOM 658 2HD LYS A 40 -11.876 7.927 3.853 1.00 0.00 H ATOM 659 1HE LYS A 40 -13.080 8.682 1.832 1.00 0.00 H ATOM 660 2HE LYS A 40 -12.278 7.430 0.880 1.00 0.00 H ATOM 661 1HZ LYS A 40 -14.461 6.755 1.565 1.00 0.00 H ATOM 662 2HZ LYS A 40 -13.331 5.781 2.270 1.00 0.00 H ATOM 663 3HZ LYS A 40 -14.082 6.951 3.158 1.00 0.00 H ATOM 664 N GLU A 41 -6.209 8.853 4.444 1.00 0.00 N ATOM 665 CA GLU A 41 -5.209 8.974 5.498 1.00 0.00 C ATOM 666 C GLU A 41 -4.240 10.113 5.210 1.00 0.00 C ATOM 667 O GLU A 41 -3.777 10.794 6.125 1.00 0.00 O ATOM 668 CB GLU A 41 -4.438 7.661 5.654 1.00 0.00 C ATOM 669 CG GLU A 41 -5.269 6.503 6.188 1.00 0.00 C ATOM 670 CD GLU A 41 -4.495 5.218 6.273 1.00 0.00 C ATOM 671 OE1 GLU A 41 -3.366 5.197 5.844 1.00 0.00 O ATOM 672 OE2 GLU A 41 -5.032 4.255 6.768 1.00 0.00 O ATOM 673 H GLU A 41 -6.167 8.066 3.813 1.00 0.00 H ATOM 674 HA GLU A 41 -5.721 9.180 6.439 1.00 0.00 H ATOM 675 1HB GLU A 41 -4.029 7.363 4.689 1.00 0.00 H ATOM 676 2HB GLU A 41 -3.598 7.811 6.333 1.00 0.00 H ATOM 677 1HG GLU A 41 -5.634 6.760 7.182 1.00 0.00 H ATOM 678 2HG GLU A 41 -6.132 6.360 5.540 1.00 0.00 H ATOM 679 N ILE A 42 -3.936 10.315 3.932 1.00 0.00 N ATOM 680 CA ILE A 42 -3.064 11.407 3.516 1.00 0.00 C ATOM 681 C ILE A 42 -3.721 12.760 3.761 1.00 0.00 C ATOM 682 O ILE A 42 -3.108 13.664 4.328 1.00 0.00 O ATOM 683 CB ILE A 42 -2.695 11.278 2.027 1.00 0.00 C ATOM 684 CG1 ILE A 42 -1.803 10.054 1.802 1.00 0.00 C ATOM 685 CG2 ILE A 42 -2.003 12.541 1.538 1.00 0.00 C ATOM 686 CD1 ILE A 42 -1.618 9.692 0.346 1.00 0.00 C ATOM 687 H ILE A 42 -4.318 9.696 3.232 1.00 0.00 H ATOM 688 HA ILE A 42 -2.142 11.355 4.096 1.00 0.00 H ATOM 689 HB ILE A 42 -3.599 11.120 1.440 1.00 0.00 H ATOM 690 1HG1 ILE A 42 -0.820 10.236 2.236 1.00 0.00 H ATOM 691 2HG1 ILE A 42 -2.231 9.192 2.315 1.00 0.00 H ATOM 692 1HG2 ILE A 42 -1.749 12.433 0.485 1.00 0.00 H ATOM 693 2HG2 ILE A 42 -2.671 13.393 1.664 1.00 0.00 H ATOM 694 3HG2 ILE A 42 -1.094 12.705 2.117 1.00 0.00 H ATOM 695 1HD1 ILE A 42 -0.974 8.815 0.268 1.00 0.00 H ATOM 696 2HD1 ILE A 42 -2.588 9.471 -0.100 1.00 0.00 H ATOM 697 3HD1 ILE A 42 -1.157 10.527 -0.180 1.00 0.00 H ATOM 698 N LEU A 43 -4.971 12.892 3.331 1.00 0.00 N ATOM 699 CA LEU A 43 -5.675 14.166 3.403 1.00 0.00 C ATOM 700 C LEU A 43 -6.215 14.418 4.806 1.00 0.00 C ATOM 701 O LEU A 43 -6.541 13.480 5.533 1.00 0.00 O ATOM 702 OXT LEU A 43 -6.327 15.541 5.213 1.00 0.00 O ATOM 703 CB LEU A 43 -6.829 14.192 2.393 1.00 0.00 C ATOM 704 CG LEU A 43 -6.424 14.071 0.918 1.00 0.00 C ATOM 705 CD1 LEU A 43 -7.674 13.988 0.053 1.00 0.00 C ATOM 706 CD2 LEU A 43 -5.567 15.265 0.527 1.00 0.00 C ATOM 707 H LEU A 43 -5.445 12.089 2.943 1.00 0.00 H ATOM 708 HA LEU A 43 -4.975 14.963 3.153 1.00 0.00 H ATOM 709 1HB LEU A 43 -7.507 13.371 2.618 1.00 0.00 H ATOM 710 2HB LEU A 43 -7.373 15.129 2.511 1.00 0.00 H ATOM 711 HG LEU A 43 -5.855 13.152 0.771 1.00 0.00 H ATOM 712 1HD1 LEU A 43 -7.387 13.901 -0.995 1.00 0.00 H ATOM 713 2HD1 LEU A 43 -8.259 13.114 0.341 1.00 0.00 H ATOM 714 3HD1 LEU A 43 -8.273 14.887 0.191 1.00 0.00 H ATOM 715 1HD2 LEU A 43 -5.278 15.179 -0.521 1.00 0.00 H ATOM 716 2HD2 LEU A 43 -6.135 16.184 0.672 1.00 0.00 H ATOM 717 3HD2 LEU A 43 -4.672 15.290 1.149 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE nods_bigger.blueprint.34_try240_pass_20150519150353_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 rama omega fa_dun p_aa_pp ref total weights 0.8 0.44 0.75 0.004 0.7 1 1.17 1.17 1.17 1.1 1 0.2 0.5 0.56 0.32 1 NA pose -164.769 15.5989 88.0053 0.32561 -19.2286 0.19851 -23.3449 -1.77623 -1.23746 -6.85346 0 -5.06896 1.54886 37.6254 -6.25939 -5.89126 -91.1263 PRO:NtermProteinFull_1 -2.39782 0.19073 1.36696 0.0043 0.06761 0.14802 0 0 0 0 0 0 0.00394 0.09334 0 -0.21929 -0.74221 ASP_2 -2.13098 0.22328 1.47405 0.00336 0.01783 0 0 0 0 0 0 -0.16202 0.12262 1.29032 0.01062 -1.28682 -0.43775 LYS_3 -2.98661 0.38599 1.4049 0.00573 0.02565 0 0 0 0 0 0 -0.07996 0.00032 0.78816 -0.04069 -0.28737 -0.78388 ALA_4 -4.11755 0.5231 1.73472 0.00073 -0.00756 0 0 0 0 0 0 -0.13255 0.03448 0 -0.16646 0.59294 -1.53814 GLU_5 -4.96713 0.39845 2.9734 0.00726 -0.82257 0 0 0 0 -0.57874 0 -0.12967 0.00068 2.16296 -0.10107 -1.55374 -2.61017 LYS_6 -3.40689 0.21519 1.94496 0.00311 -0.26429 0 0 0 0 0 0 -0.20328 0.02815 0.80771 -0.04881 -0.28737 -1.21151 ILE_7 -4.56697 0.36568 1.85879 0.02002 -0.26041 0 0 0 0 0 0 -0.01796 0.00282 0.08 -0.10673 0.8318 -1.79296 LEU_8 -6.18857 0.55185 1.77545 0.00559 -0.2711 0 0 0 0 0 0 -0.09427 0.02184 0.55264 -0.11732 0.60233 -3.16157 ARG_9 -5.41884 0.35289 3.4687 0.00955 -0.91474 0 0 0 0 -0.57874 0 -0.18675 0.02438 1.63967 -0.08277 -0.14916 -1.83579 GLU_10 -4.28013 0.37316 2.97419 0.00732 -1.11178 0 0 0 0 -0.44273 0 -0.11442 0.0001 2.28079 -0.10412 -1.55374 -1.97137 ALA_11 -4.4431 0.33324 1.8511 0.00073 -0.4828 0 0 0 0 0 0 -0.14353 0.0168 0 -0.1777 0.59294 -2.45233 LEU_12 -3.89366 0.29653 1.51503 0.00651 -0.01179 0 0 0 0 0 0 -0.11737 0.01478 0.20677 -0.12311 0.60233 -1.50398 LYS_13 -2.41939 0.26082 1.37734 0.00308 0.03539 0 0 0 0 0 0 -0.22813 0.0045 0.7588 -0.03034 -0.28737 -0.5253 ARG_14 -3.29106 0.2096 1.96603 0.00953 -0.86875 0 0 0 0 -0.44273 0 -0.2279 0.1333 1.60212 -0.09828 -0.14916 -1.1573 GLY_15 -1.4682 0.11098 0.87265 4e-05 0.06698 0 0 0 0 0 0 0.3634 0.05799 0 -1.10904 0.14053 -0.96468 TYR_16 -4.46466 0.26691 1.53485 0.02301 0.06636 0 0 0 0 0 0 -0.17596 0.05451 1.32669 -0.1859 0.1317 -1.4225 SER_17 -3.20527 0.57306 2.45456 0.00163 -0.57771 0 0 0 -0.61873 0 0 -0.28139 0.00961 0.15165 -0.2466 0.17658 -1.56259 PRO_18 -2.56776 0.5738 1.01155 0.00092 -0.14865 0.05048 0 0 0 0 0 0.06557 0.00164 0.06983 -0.27582 -0.21929 -1.43771 GLU_19 -3.11126 0.33744 2.45445 0.00882 -1.47176 0 0 0 0 -0.85176 0 -0.20837 0.02251 2.41562 -0.14219 -1.55374 -2.10023 GLN_20 -4.95384 0.38038 3.06521 0.00335 -0.46754 0 0 0 -0.61873 0 0 -0.18002 0.01721 2.00571 -0.1433 -1.17797 -2.06954 ALA_21 -4.22445 0.29634 1.72876 0.00073 -0.26493 0 0 0 0 0 0 -0.13073 0.05937 0 -0.16539 0.59294 -2.10736 VAL_22 -5.09279 0.49339 2.24532 0.01618 -0.27993 0 0 0 0 0 0 -0.028 0.05173 0.01028 -0.01685 0.74484 -1.85584 GLU_23 -4.20734 0.34138 2.87628 0.00762 -1.03533 0 0 0 0 -0.41461 0 -0.12254 0.00214 2.22322 -0.09373 -1.55374 -1.97665 ILE_24 -4.45569 0.36627 1.80831 0.0204 -0.30685 0 0 0 0 0 0 0.01615 0.03473 0.08496 -0.08166 0.8318 -1.68157 ALA_25 -4.4095 0.46562 1.83896 0.00074 -0.29437 0 0 0 0 0 0 -0.16052 0.03716 0 -0.18335 0.59294 -2.11233 LYS_26 -4.09364 0.52336 2.71935 0.00489 -1.08485 0 0 0 0 -0.21998 0 -0.16698 0.02127 0.95385 -0.04501 -0.28737 -1.67511 ARG_27 -3.0518 0.38249 2.0746 0.00963 -0.85747 0 0 0 0 -0.41461 0 -0.24863 0.02359 1.48209 -0.08543 -0.14916 -0.83469 ALA_28 -2.20686 0.36383 1.05347 0.00096 -0.09762 0 0 0 0 0 0 -0.25512 0.04185 0 -0.04519 0.59294 -0.55173 GLY_29 -1.43704 0.32979 0.87065 1e-05 0.0273 0 0 0 0 0 0 -0.09253 0.03676 0 -0.81205 0.14053 -0.93658 ILE_30 -3.98963 0.57507 1.35546 0.02028 0.0428 0 0 0 0 0 0 -0.19661 0.11135 0.70049 -0.22602 0.8318 -0.77501 THR_31 -2.57567 0.30345 1.33768 0.00842 -0.24634 0 0 0 0 0 0 -0.0328 0.13473 0.03725 -0.00217 0.16454 -0.87093 GLU_32 -4.07133 0.36436 2.91251 0.00742 -1.78008 0 0 0 0 -0.76934 0 -0.08541 0.00131 2.21135 -0.09996 -1.55374 -2.86291 GLU_33 -2.49075 0.21499 1.41122 0.00686 -0.12866 0 0 0 0 0 0 -0.12579 0.02362 2.13693 -0.08593 -1.55374 -0.59123 GLU_34 -4.28128 0.30043 3.01763 0.00592 -1.1044 0 0 0 0 -0.36955 0 -0.23427 0.03733 2.4304 -0.16404 -1.55374 -1.91557 ALA_35 -4.17192 0.24419 1.69712 0.00074 -0.23027 0 0 0 0 0 0 -0.16369 0.01181 0 -0.18045 0.59294 -2.19954 ARG_36 -5.66488 0.43457 3.9632 0.00996 -2.29175 0 0 0 0 -1.40112 0 -0.1717 0.02339 1.71013 -0.07694 -0.14916 -3.6143 ARG_37 -4.91141 0.27663 4.0096 0.01569 -1.49909 0 0 0 0 -0.36955 0 -0.03109 0.00224 1.33347 -0.05134 -0.14916 -1.37401 ILE_38 -5.73953 0.55336 2.96784 0.02067 -0.38196 0 0 0 0 0 0 -0.02911 0.00082 0.08466 -0.05458 0.8318 -1.74604 LEU_39 -5.8684 0.82035 1.76001 0.00902 -0.23457 0 0 0 0 0 0 -0.08386 0.05923 0.56934 -0.12057 0.60233 -2.48714 LYS_40 -3.03884 0.29597 1.83061 0.00309 0.14573 0 0 0 0 0 0 -0.22241 0.09678 0.78391 -0.04811 -0.28737 -0.44064 GLU_41 -3.05239 0.29871 2.40813 0.0046 -0.39917 0 0 0 0 0 0 -0.23493 0.03279 2.11047 -0.17273 -1.55374 -0.55826 ILE_42 -4.71652 0.33827 1.89049 0.02012 0.1848 0 0 0 0 0 0 -0.01381 0.13269 0.08656 -0.15824 0.8318 -1.40383 LEU:CtermProteinFull_43 -2.7373 0.09298 1.14922 0.00707 0.29002 0 0 0 0 0 0 0 0 0.44325 0 0.60233 -0.15244 #END_POSE_ENERGIES_TABLE nods_bigger.blueprint.34_try240_pass_20150519150353_0001.pdb AlaCount 6 bb -0.0412981 buried_minus_exposed 3739.43 buried_np 5343.72 buried_over_exposed 3.33089 cavity_volume 0 contact_all 246 contact_core_SASA 246 contact_core_SCN 246 degree 10.4419 degree_core_SASA 10.4419 degree_core_SCN 10.4419 exposed_hydrophobics 1604.28 holes 1.00165 mismatch_probability 0.0874169 one_core_each 1 pack 0.601264 percent_core_SASA 0.0930016 percent_core_SCN 0.186003 res_count_core_SASA 4 res_count_core_SCN 8 ss_sc 0.783331 two_core_each 0.666667 unsat_hbond 2
HHH_rd3_0003.pdb
ATOM 1 N PRO A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA PRO A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C PRO A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O PRO A 1 2.882 1.758 -0.799 1.00 0.00 O ATOM 5 CB PRO A 1 1.803 -0.740 -1.297 1.00 0.00 C ATOM 6 CG PRO A 1 0.700 -0.374 -2.230 1.00 0.00 C ATOM 7 CD PRO A 1 -0.530 -0.338 -1.362 1.00 0.00 C ATOM 8 1H PRO A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 9 2H PRO A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 10 HA PRO A 1 1.804 -0.502 0.903 1.00 0.00 H ATOM 11 1HB PRO A 1 2.792 -0.422 -1.659 1.00 0.00 H ATOM 12 2HB PRO A 1 1.861 -1.822 -1.108 1.00 0.00 H ATOM 13 1HG PRO A 1 0.910 0.595 -2.706 1.00 0.00 H ATOM 14 2HG PRO A 1 0.625 -1.116 -3.039 1.00 0.00 H ATOM 15 1HD PRO A 1 -1.214 0.442 -1.727 1.00 0.00 H ATOM 16 2HD PRO A 1 -1.019 -1.323 -1.378 1.00 0.00 H ATOM 17 N ASP A 2 1.494 2.249 0.901 1.00 0.00 N ATOM 18 CA ASP A 2 1.866 3.658 0.948 1.00 0.00 C ATOM 19 C ASP A 2 3.350 3.826 1.249 1.00 0.00 C ATOM 20 O ASP A 2 4.010 4.706 0.697 1.00 0.00 O ATOM 21 CB ASP A 2 1.038 4.397 2.002 1.00 0.00 C ATOM 22 CG ASP A 2 -0.414 4.590 1.587 1.00 0.00 C ATOM 23 OD1 ASP A 2 -0.700 4.459 0.420 1.00 0.00 O ATOM 24 OD2 ASP A 2 -1.223 4.865 2.440 1.00 0.00 O ATOM 25 H ASP A 2 0.826 1.894 1.572 1.00 0.00 H ATOM 26 HA ASP A 2 1.654 4.104 -0.025 1.00 0.00 H ATOM 27 1HB ASP A 2 1.062 3.842 2.939 1.00 0.00 H ATOM 28 2HB ASP A 2 1.480 5.377 2.190 1.00 0.00 H ATOM 29 N GLU A 3 3.869 2.977 2.130 1.00 0.00 N ATOM 30 CA GLU A 3 5.271 3.045 2.525 1.00 0.00 C ATOM 31 C GLU A 3 6.185 2.586 1.396 1.00 0.00 C ATOM 32 O GLU A 3 7.306 3.074 1.255 1.00 0.00 O ATOM 33 CB GLU A 3 5.516 2.192 3.771 1.00 0.00 C ATOM 34 CG GLU A 3 4.819 2.697 5.026 1.00 0.00 C ATOM 35 CD GLU A 3 5.196 4.110 5.376 1.00 0.00 C ATOM 36 OE1 GLU A 3 6.348 4.447 5.244 1.00 0.00 O ATOM 37 OE2 GLU A 3 4.330 4.853 5.776 1.00 0.00 O ATOM 38 H GLU A 3 3.278 2.265 2.535 1.00 0.00 H ATOM 39 HA GLU A 3 5.511 4.080 2.770 1.00 0.00 H ATOM 40 1HB GLU A 3 5.175 1.172 3.587 1.00 0.00 H ATOM 41 2HB GLU A 3 6.585 2.147 3.977 1.00 0.00 H ATOM 42 1HG GLU A 3 3.741 2.648 4.876 1.00 0.00 H ATOM 43 2HG GLU A 3 5.072 2.042 5.859 1.00 0.00 H ATOM 44 N LEU A 4 5.699 1.645 0.593 1.00 0.00 N ATOM 45 CA LEU A 4 6.457 1.143 -0.546 1.00 0.00 C ATOM 46 C LEU A 4 6.455 2.145 -1.694 1.00 0.00 C ATOM 47 O LEU A 4 7.416 2.230 -2.458 1.00 0.00 O ATOM 48 CB LEU A 4 5.874 -0.193 -1.024 1.00 0.00 C ATOM 49 CG LEU A 4 6.057 -1.378 -0.068 1.00 0.00 C ATOM 50 CD1 LEU A 4 5.359 -2.605 -0.639 1.00 0.00 C ATOM 51 CD2 LEU A 4 7.542 -1.640 0.138 1.00 0.00 C ATOM 52 H LEU A 4 4.780 1.268 0.778 1.00 0.00 H ATOM 53 HA LEU A 4 7.487 0.976 -0.229 1.00 0.00 H ATOM 54 1HB LEU A 4 4.806 -0.065 -1.192 1.00 0.00 H ATOM 55 2HB LEU A 4 6.341 -0.457 -1.972 1.00 0.00 H ATOM 56 HG LEU A 4 5.593 -1.148 0.892 1.00 0.00 H ATOM 57 1HD1 LEU A 4 5.489 -3.447 0.040 1.00 0.00 H ATOM 58 2HD1 LEU A 4 4.296 -2.396 -0.758 1.00 0.00 H ATOM 59 3HD1 LEU A 4 5.792 -2.851 -1.608 1.00 0.00 H ATOM 60 1HD2 LEU A 4 7.672 -2.483 0.818 1.00 0.00 H ATOM 61 2HD2 LEU A 4 8.007 -1.873 -0.820 1.00 0.00 H ATOM 62 3HD2 LEU A 4 8.012 -0.754 0.564 1.00 0.00 H ATOM 63 N ARG A 5 5.369 2.901 -1.810 1.00 0.00 N ATOM 64 CA ARG A 5 5.308 4.016 -2.747 1.00 0.00 C ATOM 65 C ARG A 5 6.329 5.090 -2.393 1.00 0.00 C ATOM 66 O ARG A 5 7.041 5.594 -3.261 1.00 0.00 O ATOM 67 CB ARG A 5 3.916 4.629 -2.761 1.00 0.00 C ATOM 68 CG ARG A 5 2.850 3.781 -3.437 1.00 0.00 C ATOM 69 CD ARG A 5 1.491 4.347 -3.241 1.00 0.00 C ATOM 70 NE ARG A 5 0.473 3.561 -3.918 1.00 0.00 N ATOM 71 CZ ARG A 5 -0.810 3.464 -3.519 1.00 0.00 C ATOM 72 NH1 ARG A 5 -1.216 4.108 -2.447 1.00 0.00 N ATOM 73 NH2 ARG A 5 -1.661 2.721 -4.205 1.00 0.00 N ATOM 74 H ARG A 5 4.564 2.698 -1.234 1.00 0.00 H ATOM 75 HA ARG A 5 5.530 3.640 -3.747 1.00 0.00 H ATOM 76 1HB ARG A 5 3.590 4.815 -1.739 1.00 0.00 H ATOM 77 2HB ARG A 5 3.947 5.590 -3.275 1.00 0.00 H ATOM 78 1HG ARG A 5 3.050 3.730 -4.507 1.00 0.00 H ATOM 79 2HG ARG A 5 2.866 2.774 -3.017 1.00 0.00 H ATOM 80 1HD ARG A 5 1.255 4.367 -2.177 1.00 0.00 H ATOM 81 2HD ARG A 5 1.459 5.361 -3.638 1.00 0.00 H ATOM 82 HE ARG A 5 0.747 3.051 -4.747 1.00 0.00 H ATOM 83 1HH1 ARG A 5 -0.565 4.676 -1.923 1.00 0.00 H ATOM 84 2HH1 ARG A 5 -2.177 4.036 -2.148 1.00 0.00 H ATOM 85 1HH2 ARG A 5 -1.350 2.226 -5.029 1.00 0.00 H ATOM 86 2HH2 ARG A 5 -2.622 2.649 -3.906 1.00 0.00 H ATOM 87 N ARG A 6 6.396 5.435 -1.111 1.00 0.00 N ATOM 88 CA ARG A 6 7.423 6.344 -0.615 1.00 0.00 C ATOM 89 C ARG A 6 8.819 5.803 -0.896 1.00 0.00 C ATOM 90 O ARG A 6 9.679 6.516 -1.412 1.00 0.00 O ATOM 91 CB ARG A 6 7.260 6.569 0.881 1.00 0.00 C ATOM 92 CG ARG A 6 8.329 7.445 1.515 1.00 0.00 C ATOM 93 CD ARG A 6 8.090 7.638 2.968 1.00 0.00 C ATOM 94 NE ARG A 6 8.114 6.378 3.694 1.00 0.00 N ATOM 95 CZ ARG A 6 9.234 5.704 4.020 1.00 0.00 C ATOM 96 NH1 ARG A 6 10.411 6.181 3.679 1.00 0.00 N ATOM 97 NH2 ARG A 6 9.150 4.563 4.682 1.00 0.00 N ATOM 98 H ARG A 6 5.717 5.059 -0.464 1.00 0.00 H ATOM 99 HA ARG A 6 7.311 7.303 -1.122 1.00 0.00 H ATOM 100 1HB ARG A 6 6.295 7.033 1.076 1.00 0.00 H ATOM 101 2HB ARG A 6 7.272 5.609 1.397 1.00 0.00 H ATOM 102 1HG ARG A 6 9.306 6.979 1.387 1.00 0.00 H ATOM 103 2HG ARG A 6 8.329 8.425 1.035 1.00 0.00 H ATOM 104 1HD ARG A 6 8.864 8.284 3.382 1.00 0.00 H ATOM 105 2HD ARG A 6 7.114 8.099 3.119 1.00 0.00 H ATOM 106 HE ARG A 6 7.227 5.979 3.973 1.00 0.00 H ATOM 107 1HH1 ARG A 6 10.475 7.053 3.173 1.00 0.00 H ATOM 108 2HH1 ARG A 6 11.250 5.676 3.923 1.00 0.00 H ATOM 109 1HH2 ARG A 6 8.245 4.196 4.944 1.00 0.00 H ATOM 110 2HH2 ARG A 6 9.989 4.059 4.926 1.00 0.00 H ATOM 111 N LEU A 7 9.038 4.538 -0.553 1.00 0.00 N ATOM 112 CA LEU A 7 10.309 3.879 -0.825 1.00 0.00 C ATOM 113 C LEU A 7 10.702 4.026 -2.290 1.00 0.00 C ATOM 114 O LEU A 7 11.810 4.461 -2.605 1.00 0.00 O ATOM 115 CB LEU A 7 10.226 2.392 -0.458 1.00 0.00 C ATOM 116 CG LEU A 7 11.456 1.548 -0.816 1.00 0.00 C ATOM 117 CD1 LEU A 7 12.664 2.059 -0.044 1.00 0.00 C ATOM 118 CD2 LEU A 7 11.179 0.087 -0.497 1.00 0.00 C ATOM 119 H LEU A 7 8.304 4.020 -0.091 1.00 0.00 H ATOM 120 HA LEU A 7 11.079 4.344 -0.208 1.00 0.00 H ATOM 121 1HB LEU A 7 10.067 2.308 0.616 1.00 0.00 H ATOM 122 2HB LEU A 7 9.365 1.957 -0.967 1.00 0.00 H ATOM 123 HG LEU A 7 11.672 1.653 -1.880 1.00 0.00 H ATOM 124 1HD1 LEU A 7 13.538 1.459 -0.298 1.00 0.00 H ATOM 125 2HD1 LEU A 7 12.851 3.100 -0.306 1.00 0.00 H ATOM 126 3HD1 LEU A 7 12.471 1.982 1.026 1.00 0.00 H ATOM 127 1HD2 LEU A 7 12.053 -0.513 -0.752 1.00 0.00 H ATOM 128 2HD2 LEU A 7 10.964 -0.019 0.567 1.00 0.00 H ATOM 129 3HD2 LEU A 7 10.322 -0.256 -1.076 1.00 0.00 H ATOM 130 N ALA A 8 9.788 3.660 -3.182 1.00 0.00 N ATOM 131 CA ALA A 8 10.054 3.707 -4.615 1.00 0.00 C ATOM 132 C ALA A 8 10.502 5.097 -5.047 1.00 0.00 C ATOM 133 O ALA A 8 11.453 5.243 -5.815 1.00 0.00 O ATOM 134 CB ALA A 8 8.820 3.282 -5.397 1.00 0.00 C ATOM 135 H ALA A 8 8.886 3.342 -2.859 1.00 0.00 H ATOM 136 HA ALA A 8 10.850 2.997 -4.842 1.00 0.00 H ATOM 137 1HB ALA A 8 9.035 3.322 -6.465 1.00 0.00 H ATOM 138 2HB ALA A 8 8.547 2.264 -5.120 1.00 0.00 H ATOM 139 3HB ALA A 8 7.995 3.954 -5.168 1.00 0.00 H ATOM 140 N GLN A 9 9.811 6.117 -4.549 1.00 0.00 N ATOM 141 CA GLN A 9 10.134 7.498 -4.886 1.00 0.00 C ATOM 142 C GLN A 9 11.519 7.880 -4.379 1.00 0.00 C ATOM 143 O GLN A 9 12.297 8.518 -5.088 1.00 0.00 O ATOM 144 CB GLN A 9 9.084 8.451 -4.308 1.00 0.00 C ATOM 145 CG GLN A 9 7.728 8.369 -4.987 1.00 0.00 C ATOM 146 CD GLN A 9 6.720 9.330 -4.385 1.00 0.00 C ATOM 147 OE1 GLN A 9 6.843 9.734 -3.225 1.00 0.00 O ATOM 148 NE2 GLN A 9 5.716 9.702 -5.171 1.00 0.00 N ATOM 149 H GLN A 9 9.042 5.931 -3.922 1.00 0.00 H ATOM 150 HA GLN A 9 10.119 7.602 -5.972 1.00 0.00 H ATOM 151 1HB GLN A 9 8.944 8.237 -3.248 1.00 0.00 H ATOM 152 2HB GLN A 9 9.440 9.478 -4.390 1.00 0.00 H ATOM 153 1HG GLN A 9 7.846 8.614 -6.042 1.00 0.00 H ATOM 154 2HG GLN A 9 7.340 7.356 -4.879 1.00 0.00 H ATOM 155 1HE2 GLN A 9 5.021 10.335 -4.829 1.00 0.00 H ATOM 156 2HE2 GLN A 9 5.655 9.350 -6.105 1.00 0.00 H ATOM 157 N GLU A 10 11.821 7.486 -3.146 1.00 0.00 N ATOM 158 CA GLU A 10 13.116 7.777 -2.545 1.00 0.00 C ATOM 159 C GLU A 10 14.243 7.082 -3.299 1.00 0.00 C ATOM 160 O GLU A 10 15.305 7.663 -3.522 1.00 0.00 O ATOM 161 CB GLU A 10 13.132 7.347 -1.076 1.00 0.00 C ATOM 162 CG GLU A 10 12.259 8.196 -0.163 1.00 0.00 C ATOM 163 CD GLU A 10 12.175 7.654 1.237 1.00 0.00 C ATOM 164 OE1 GLU A 10 12.810 6.663 1.509 1.00 0.00 O ATOM 165 OE2 GLU A 10 11.476 8.232 2.035 1.00 0.00 O ATOM 166 H GLU A 10 11.135 6.972 -2.612 1.00 0.00 H ATOM 167 HA GLU A 10 13.282 8.854 -2.584 1.00 0.00 H ATOM 168 1HB GLU A 10 12.793 6.314 -0.996 1.00 0.00 H ATOM 169 2HB GLU A 10 14.152 7.387 -0.696 1.00 0.00 H ATOM 170 1HG GLU A 10 12.666 9.206 -0.125 1.00 0.00 H ATOM 171 2HG GLU A 10 11.257 8.254 -0.586 1.00 0.00 H ATOM 172 N LEU A 11 14.004 5.835 -3.690 1.00 0.00 N ATOM 173 CA LEU A 11 14.978 5.075 -4.465 1.00 0.00 C ATOM 174 C LEU A 11 15.278 5.758 -5.793 1.00 0.00 C ATOM 175 O LEU A 11 16.437 5.885 -6.189 1.00 0.00 O ATOM 176 CB LEU A 11 14.462 3.654 -4.718 1.00 0.00 C ATOM 177 CG LEU A 11 14.373 2.748 -3.484 1.00 0.00 C ATOM 178 CD1 LEU A 11 13.622 1.472 -3.842 1.00 0.00 C ATOM 179 CD2 LEU A 11 15.775 2.435 -2.982 1.00 0.00 C ATOM 180 H LEU A 11 13.126 5.401 -3.444 1.00 0.00 H ATOM 181 HA LEU A 11 15.902 5.009 -3.889 1.00 0.00 H ATOM 182 1HB LEU A 11 13.466 3.719 -5.153 1.00 0.00 H ATOM 183 2HB LEU A 11 15.119 3.168 -5.439 1.00 0.00 H ATOM 184 HG LEU A 11 13.812 3.256 -2.699 1.00 0.00 H ATOM 185 1HD1 LEU A 11 13.559 0.829 -2.964 1.00 0.00 H ATOM 186 2HD1 LEU A 11 12.617 1.725 -4.179 1.00 0.00 H ATOM 187 3HD1 LEU A 11 14.152 0.950 -4.637 1.00 0.00 H ATOM 188 1HD2 LEU A 11 15.712 1.791 -2.104 1.00 0.00 H ATOM 189 2HD2 LEU A 11 16.336 1.925 -3.765 1.00 0.00 H ATOM 190 3HD2 LEU A 11 16.282 3.362 -2.717 1.00 0.00 H ATOM 191 N LEU A 12 14.227 6.196 -6.478 1.00 0.00 N ATOM 192 CA LEU A 12 14.379 6.922 -7.733 1.00 0.00 C ATOM 193 C LEU A 12 15.173 8.207 -7.534 1.00 0.00 C ATOM 194 O LEU A 12 16.001 8.572 -8.369 1.00 0.00 O ATOM 195 CB LEU A 12 13.003 7.251 -8.325 1.00 0.00 C ATOM 196 CG LEU A 12 12.190 6.050 -8.825 1.00 0.00 C ATOM 197 CD1 LEU A 12 10.756 6.484 -9.095 1.00 0.00 C ATOM 198 CD2 LEU A 12 12.836 5.485 -10.081 1.00 0.00 C ATOM 199 H LEU A 12 13.299 6.021 -6.120 1.00 0.00 H ATOM 200 HA LEU A 12 14.915 6.285 -8.438 1.00 0.00 H ATOM 201 1HB LEU A 12 12.411 7.759 -7.566 1.00 0.00 H ATOM 202 2HB LEU A 12 13.140 7.931 -9.166 1.00 0.00 H ATOM 203 HG LEU A 12 12.165 5.280 -8.052 1.00 0.00 H ATOM 204 1HD1 LEU A 12 10.177 5.631 -9.449 1.00 0.00 H ATOM 205 2HD1 LEU A 12 10.311 6.865 -8.175 1.00 0.00 H ATOM 206 3HD1 LEU A 12 10.749 7.266 -9.853 1.00 0.00 H ATOM 207 1HD2 LEU A 12 12.258 4.631 -10.435 1.00 0.00 H ATOM 208 2HD2 LEU A 12 12.860 6.253 -10.854 1.00 0.00 H ATOM 209 3HD2 LEU A 12 13.854 5.166 -9.855 1.00 0.00 H ATOM 210 N ASN A 13 14.916 8.888 -6.423 1.00 0.00 N ATOM 211 CA ASN A 13 15.649 10.102 -6.082 1.00 0.00 C ATOM 212 C ASN A 13 17.101 9.791 -5.742 1.00 0.00 C ATOM 213 O ASN A 13 17.974 10.651 -5.859 1.00 0.00 O ATOM 214 CB ASN A 13 14.975 10.828 -4.932 1.00 0.00 C ATOM 215 CG ASN A 13 13.676 11.469 -5.336 1.00 0.00 C ATOM 216 OD1 ASN A 13 13.460 11.774 -6.514 1.00 0.00 O ATOM 217 ND2 ASN A 13 12.807 11.679 -4.381 1.00 0.00 N ATOM 218 H ASN A 13 14.194 8.558 -5.798 1.00 0.00 H ATOM 219 HA ASN A 13 15.627 10.773 -6.942 1.00 0.00 H ATOM 220 1HB ASN A 13 14.783 10.125 -4.120 1.00 0.00 H ATOM 221 2HB ASN A 13 15.642 11.598 -4.547 1.00 0.00 H ATOM 222 1HD2 ASN A 13 11.925 12.102 -4.591 1.00 0.00 H ATOM 223 2HD2 ASN A 13 13.023 11.416 -3.441 1.00 0.00 H ATOM 224 N ASN A 14 17.353 8.557 -5.319 1.00 0.00 N ATOM 225 CA ASN A 14 18.702 8.127 -4.971 1.00 0.00 C ATOM 226 C ASN A 14 19.451 7.616 -6.195 1.00 0.00 C ATOM 227 O ASN A 14 20.576 7.128 -6.088 1.00 0.00 O ATOM 228 CB ASN A 14 18.661 7.065 -3.888 1.00 0.00 C ATOM 229 CG ASN A 14 18.223 7.612 -2.558 1.00 0.00 C ATOM 230 OD1 ASN A 14 18.483 8.777 -2.236 1.00 0.00 O ATOM 231 ND2 ASN A 14 17.563 6.794 -1.778 1.00 0.00 N ATOM 232 H ASN A 14 16.591 7.900 -5.237 1.00 0.00 H ATOM 233 HA ASN A 14 19.249 8.986 -4.580 1.00 0.00 H ATOM 234 1HB ASN A 14 17.976 6.269 -4.184 1.00 0.00 H ATOM 235 2HB ASN A 14 19.651 6.620 -3.776 1.00 0.00 H ATOM 236 1HD2 ASN A 14 17.246 7.104 -0.881 1.00 0.00 H ATOM 237 2HD2 ASN A 14 17.375 5.860 -2.080 1.00 0.00 H ATOM 238 N GLY A 15 18.820 7.731 -7.359 1.00 0.00 N ATOM 239 CA GLY A 15 19.459 7.364 -8.616 1.00 0.00 C ATOM 240 C GLY A 15 19.370 5.863 -8.862 1.00 0.00 C ATOM 241 O GLY A 15 20.202 5.289 -9.565 1.00 0.00 O ATOM 242 H GLY A 15 17.873 8.082 -7.372 1.00 0.00 H ATOM 243 1HA GLY A 15 18.982 7.899 -9.437 1.00 0.00 H ATOM 244 2HA GLY A 15 20.504 7.671 -8.597 1.00 0.00 H ATOM 245 N VAL A 16 18.357 5.232 -8.278 1.00 0.00 N ATOM 246 CA VAL A 16 18.117 3.809 -8.488 1.00 0.00 C ATOM 247 C VAL A 16 17.206 3.576 -9.686 1.00 0.00 C ATOM 248 O VAL A 16 16.117 4.143 -9.770 1.00 0.00 O ATOM 249 CB VAL A 16 17.481 3.184 -7.233 1.00 0.00 C ATOM 250 CG1 VAL A 16 17.193 1.707 -7.462 1.00 0.00 C ATOM 251 CG2 VAL A 16 18.400 3.375 -6.036 1.00 0.00 C ATOM 252 H VAL A 16 17.737 5.751 -7.673 1.00 0.00 H ATOM 253 HA VAL A 16 19.072 3.324 -8.696 1.00 0.00 H ATOM 254 HB VAL A 16 16.525 3.671 -7.040 1.00 0.00 H ATOM 255 1HG1 VAL A 16 16.743 1.281 -6.564 1.00 0.00 H ATOM 256 2HG1 VAL A 16 16.505 1.596 -8.300 1.00 0.00 H ATOM 257 3HG1 VAL A 16 18.124 1.185 -7.683 1.00 0.00 H ATOM 258 1HG2 VAL A 16 17.943 2.931 -5.152 1.00 0.00 H ATOM 259 2HG2 VAL A 16 19.357 2.892 -6.232 1.00 0.00 H ATOM 260 3HG2 VAL A 16 18.558 4.440 -5.866 1.00 0.00 H ATOM 261 N ASP A 17 17.658 2.737 -10.612 1.00 0.00 N ATOM 262 CA ASP A 17 16.905 2.463 -11.831 1.00 0.00 C ATOM 263 C ASP A 17 15.512 1.938 -11.512 1.00 0.00 C ATOM 264 O ASP A 17 15.334 1.144 -10.588 1.00 0.00 O ATOM 265 CB ASP A 17 17.650 1.452 -12.706 1.00 0.00 C ATOM 266 CG ASP A 17 18.906 2.032 -13.343 1.00 0.00 C ATOM 267 OD1 ASP A 17 19.077 3.227 -13.293 1.00 0.00 O ATOM 268 OD2 ASP A 17 19.683 1.273 -13.873 1.00 0.00 O ATOM 269 H ASP A 17 18.545 2.277 -10.468 1.00 0.00 H ATOM 270 HA ASP A 17 16.795 3.396 -12.386 1.00 0.00 H ATOM 271 1HB ASP A 17 17.931 0.588 -12.104 1.00 0.00 H ATOM 272 2HB ASP A 17 16.989 1.099 -13.498 1.00 0.00 H ATOM 273 N PRO A 18 14.525 2.386 -12.281 1.00 0.00 N ATOM 274 CA PRO A 18 13.138 2.002 -12.050 1.00 0.00 C ATOM 275 C PRO A 18 12.995 0.489 -11.949 1.00 0.00 C ATOM 276 O PRO A 18 12.181 -0.017 -11.176 1.00 0.00 O ATOM 277 CB PRO A 18 12.417 2.557 -13.282 1.00 0.00 C ATOM 278 CG PRO A 18 13.196 3.774 -13.645 1.00 0.00 C ATOM 279 CD PRO A 18 14.629 3.392 -13.386 1.00 0.00 C ATOM 280 HA PRO A 18 12.808 2.448 -11.111 1.00 0.00 H ATOM 281 1HB PRO A 18 12.406 1.802 -14.083 1.00 0.00 H ATOM 282 2HB PRO A 18 11.368 2.779 -13.036 1.00 0.00 H ATOM 283 1HG PRO A 18 13.013 4.043 -14.696 1.00 0.00 H ATOM 284 2HG PRO A 18 12.869 4.630 -13.037 1.00 0.00 H ATOM 285 1HD PRO A 18 15.060 2.945 -14.294 1.00 0.00 H ATOM 286 2HD PRO A 18 15.198 4.284 -13.085 1.00 0.00 H ATOM 287 N GLU A 19 13.791 -0.229 -12.733 1.00 0.00 N ATOM 288 CA GLU A 19 13.758 -1.687 -12.730 1.00 0.00 C ATOM 289 C GLU A 19 14.374 -2.249 -11.456 1.00 0.00 C ATOM 290 O GLU A 19 13.914 -3.261 -10.927 1.00 0.00 O ATOM 291 CB GLU A 19 14.495 -2.240 -13.952 1.00 0.00 C ATOM 292 CG GLU A 19 13.760 -2.047 -15.271 1.00 0.00 C ATOM 293 CD GLU A 19 12.475 -2.824 -15.343 1.00 0.00 C ATOM 294 OE1 GLU A 19 12.531 -4.030 -15.338 1.00 0.00 O ATOM 295 OE2 GLU A 19 11.436 -2.210 -15.403 1.00 0.00 O ATOM 296 H GLU A 19 14.436 0.247 -13.348 1.00 0.00 H ATOM 297 HA GLU A 19 12.718 -2.009 -12.788 1.00 0.00 H ATOM 298 1HB GLU A 19 15.469 -1.758 -14.038 1.00 0.00 H ATOM 299 2HB GLU A 19 14.670 -3.308 -13.819 1.00 0.00 H ATOM 300 1HG GLU A 19 13.539 -0.988 -15.400 1.00 0.00 H ATOM 301 2HG GLU A 19 14.412 -2.356 -16.086 1.00 0.00 H ATOM 302 N GLU A 20 15.417 -1.587 -10.966 1.00 0.00 N ATOM 303 CA GLU A 20 16.043 -1.967 -9.706 1.00 0.00 C ATOM 304 C GLU A 20 15.150 -1.623 -8.521 1.00 0.00 C ATOM 305 O GLU A 20 15.169 -2.307 -7.498 1.00 0.00 O ATOM 306 CB GLU A 20 17.399 -1.274 -9.554 1.00 0.00 C ATOM 307 CG GLU A 20 18.455 -1.732 -10.550 1.00 0.00 C ATOM 308 CD GLU A 20 18.792 -3.191 -10.415 1.00 0.00 C ATOM 309 OE1 GLU A 20 19.017 -3.630 -9.313 1.00 0.00 O ATOM 310 OE2 GLU A 20 18.825 -3.867 -11.416 1.00 0.00 O ATOM 311 H GLU A 20 15.785 -0.799 -11.481 1.00 0.00 H ATOM 312 HA GLU A 20 16.212 -3.044 -9.715 1.00 0.00 H ATOM 313 1HB GLU A 20 17.272 -0.197 -9.671 1.00 0.00 H ATOM 314 2HB GLU A 20 17.787 -1.450 -8.550 1.00 0.00 H ATOM 315 1HG GLU A 20 18.091 -1.546 -11.560 1.00 0.00 H ATOM 316 2HG GLU A 20 19.357 -1.140 -10.404 1.00 0.00 H ATOM 317 N VAL A 21 14.368 -0.559 -8.665 1.00 0.00 N ATOM 318 CA VAL A 21 13.344 -0.221 -7.683 1.00 0.00 C ATOM 319 C VAL A 21 12.339 -1.355 -7.524 1.00 0.00 C ATOM 320 O VAL A 21 12.012 -1.754 -6.406 1.00 0.00 O ATOM 321 CB VAL A 21 12.604 1.062 -8.103 1.00 0.00 C ATOM 322 CG1 VAL A 21 11.383 1.285 -7.222 1.00 0.00 C ATOM 323 CG2 VAL A 21 13.548 2.253 -8.028 1.00 0.00 C ATOM 324 H VAL A 21 14.486 0.032 -9.476 1.00 0.00 H ATOM 325 HA VAL A 21 13.830 -0.047 -6.723 1.00 0.00 H ATOM 326 HB VAL A 21 12.245 0.946 -9.126 1.00 0.00 H ATOM 327 1HG1 VAL A 21 10.872 2.197 -7.533 1.00 0.00 H ATOM 328 2HG1 VAL A 21 10.705 0.438 -7.320 1.00 0.00 H ATOM 329 3HG1 VAL A 21 11.697 1.383 -6.183 1.00 0.00 H ATOM 330 1HG2 VAL A 21 13.018 3.157 -8.327 1.00 0.00 H ATOM 331 2HG2 VAL A 21 13.911 2.366 -7.007 1.00 0.00 H ATOM 332 3HG2 VAL A 21 14.393 2.090 -8.698 1.00 0.00 H ATOM 333 N ARG A 22 11.852 -1.869 -8.648 1.00 0.00 N ATOM 334 CA ARG A 22 10.917 -2.988 -8.636 1.00 0.00 C ATOM 335 C ARG A 22 11.494 -4.181 -7.886 1.00 0.00 C ATOM 336 O ARG A 22 10.811 -4.806 -7.074 1.00 0.00 O ATOM 337 CB ARG A 22 10.565 -3.407 -10.056 1.00 0.00 C ATOM 338 CG ARG A 22 9.717 -2.408 -10.826 1.00 0.00 C ATOM 339 CD ARG A 22 9.600 -2.777 -12.260 1.00 0.00 C ATOM 340 NE ARG A 22 8.798 -3.975 -12.448 1.00 0.00 N ATOM 341 CZ ARG A 22 8.634 -4.609 -13.626 1.00 0.00 C ATOM 342 NH1 ARG A 22 9.221 -4.148 -14.708 1.00 0.00 N ATOM 343 NH2 ARG A 22 7.883 -5.694 -13.693 1.00 0.00 N ATOM 344 H ARG A 22 12.137 -1.476 -9.533 1.00 0.00 H ATOM 345 HA ARG A 22 10.002 -2.669 -8.134 1.00 0.00 H ATOM 346 1HB ARG A 22 11.480 -3.569 -10.624 1.00 0.00 H ATOM 347 2HB ARG A 22 10.022 -4.352 -10.032 1.00 0.00 H ATOM 348 1HG ARG A 22 8.715 -2.374 -10.398 1.00 0.00 H ATOM 349 2HG ARG A 22 10.172 -1.418 -10.762 1.00 0.00 H ATOM 350 1HD ARG A 22 9.128 -1.962 -12.808 1.00 0.00 H ATOM 351 2HD ARG A 22 10.592 -2.963 -12.670 1.00 0.00 H ATOM 352 HE ARG A 22 8.331 -4.360 -11.638 1.00 0.00 H ATOM 353 1HH1 ARG A 22 9.795 -3.318 -14.656 1.00 0.00 H ATOM 354 2HH1 ARG A 22 9.098 -4.623 -15.590 1.00 0.00 H ATOM 355 1HH2 ARG A 22 7.432 -6.049 -12.861 1.00 0.00 H ATOM 356 2HH2 ARG A 22 7.760 -6.169 -14.575 1.00 0.00 H ATOM 357 N LYS A 23 12.756 -4.493 -8.161 1.00 0.00 N ATOM 358 CA LYS A 23 13.443 -5.583 -7.479 1.00 0.00 C ATOM 359 C LYS A 23 13.439 -5.377 -5.969 1.00 0.00 C ATOM 360 O LYS A 23 13.120 -6.291 -5.209 1.00 0.00 O ATOM 361 CB LYS A 23 14.879 -5.713 -7.988 1.00 0.00 C ATOM 362 CG LYS A 23 14.996 -6.212 -9.422 1.00 0.00 C ATOM 363 CD LYS A 23 16.447 -6.251 -9.877 1.00 0.00 C ATOM 364 CE LYS A 23 16.556 -6.627 -11.348 1.00 0.00 C ATOM 365 NZ LYS A 23 17.964 -6.590 -11.828 1.00 0.00 N ATOM 366 H LYS A 23 13.252 -3.960 -8.862 1.00 0.00 H ATOM 367 HA LYS A 23 12.924 -6.515 -7.706 1.00 0.00 H ATOM 368 1HB LYS A 23 15.375 -4.744 -7.929 1.00 0.00 H ATOM 369 2HB LYS A 23 15.431 -6.402 -7.348 1.00 0.00 H ATOM 370 1HG LYS A 23 14.574 -7.216 -9.493 1.00 0.00 H ATOM 371 2HG LYS A 23 14.433 -5.553 -10.083 1.00 0.00 H ATOM 372 1HD LYS A 23 16.902 -5.271 -9.727 1.00 0.00 H ATOM 373 2HD LYS A 23 16.995 -6.982 -9.283 1.00 0.00 H ATOM 374 1HE LYS A 23 16.161 -7.631 -11.496 1.00 0.00 H ATOM 375 2HE LYS A 23 15.963 -5.935 -11.946 1.00 0.00 H ATOM 376 1HZ LYS A 23 17.993 -6.845 -12.805 1.00 0.00 H ATOM 377 2HZ LYS A 23 18.335 -5.657 -11.713 1.00 0.00 H ATOM 378 3HZ LYS A 23 18.520 -7.242 -11.294 1.00 0.00 H ATOM 379 N ILE A 24 13.794 -4.171 -5.541 1.00 0.00 N ATOM 380 CA ILE A 24 13.834 -3.843 -4.120 1.00 0.00 C ATOM 381 C ILE A 24 12.452 -3.956 -3.490 1.00 0.00 C ATOM 382 O ILE A 24 12.308 -4.453 -2.373 1.00 0.00 O ATOM 383 CB ILE A 24 14.386 -2.423 -3.900 1.00 0.00 C ATOM 384 CG1 ILE A 24 15.867 -2.360 -4.282 1.00 0.00 C ATOM 385 CG2 ILE A 24 14.187 -1.994 -2.454 1.00 0.00 C ATOM 386 CD1 ILE A 24 16.408 -0.953 -4.402 1.00 0.00 C ATOM 387 H ILE A 24 14.043 -3.462 -6.216 1.00 0.00 H ATOM 388 HA ILE A 24 14.504 -4.545 -3.622 1.00 0.00 H ATOM 389 HB ILE A 24 13.863 -1.724 -4.551 1.00 0.00 H ATOM 390 1HG1 ILE A 24 16.458 -2.890 -3.536 1.00 0.00 H ATOM 391 2HG1 ILE A 24 16.019 -2.864 -5.237 1.00 0.00 H ATOM 392 1HG2 ILE A 24 14.583 -0.988 -2.315 1.00 0.00 H ATOM 393 2HG2 ILE A 24 13.125 -2.001 -2.215 1.00 0.00 H ATOM 394 3HG2 ILE A 24 14.712 -2.685 -1.794 1.00 0.00 H ATOM 395 1HD1 ILE A 24 17.462 -0.991 -4.675 1.00 0.00 H ATOM 396 2HD1 ILE A 24 15.852 -0.414 -5.170 1.00 0.00 H ATOM 397 3HD1 ILE A 24 16.300 -0.440 -3.447 1.00 0.00 H ATOM 398 N LEU A 25 11.439 -3.490 -4.212 1.00 0.00 N ATOM 399 CA LEU A 25 10.060 -3.581 -3.745 1.00 0.00 C ATOM 400 C LEU A 25 9.643 -5.031 -3.537 1.00 0.00 C ATOM 401 O LEU A 25 8.969 -5.359 -2.561 1.00 0.00 O ATOM 402 CB LEU A 25 9.115 -2.909 -4.749 1.00 0.00 C ATOM 403 CG LEU A 25 9.240 -1.384 -4.863 1.00 0.00 C ATOM 404 CD1 LEU A 25 8.423 -0.895 -6.051 1.00 0.00 C ATOM 405 CD2 LEU A 25 8.767 -0.738 -3.570 1.00 0.00 C ATOM 406 H LEU A 25 11.628 -3.063 -5.107 1.00 0.00 H ATOM 407 HA LEU A 25 9.982 -3.055 -2.793 1.00 0.00 H ATOM 408 1HB LEU A 25 9.300 -3.331 -5.736 1.00 0.00 H ATOM 409 2HB LEU A 25 8.088 -3.137 -4.466 1.00 0.00 H ATOM 410 HG LEU A 25 10.282 -1.117 -5.042 1.00 0.00 H ATOM 411 1HD1 LEU A 25 8.512 0.189 -6.132 1.00 0.00 H ATOM 412 2HD1 LEU A 25 8.796 -1.358 -6.964 1.00 0.00 H ATOM 413 3HD1 LEU A 25 7.377 -1.163 -5.908 1.00 0.00 H ATOM 414 1HD2 LEU A 25 8.856 0.346 -3.650 1.00 0.00 H ATOM 415 2HD2 LEU A 25 7.725 -1.004 -3.390 1.00 0.00 H ATOM 416 3HD2 LEU A 25 9.379 -1.092 -2.740 1.00 0.00 H ATOM 417 N GLN A 26 10.048 -5.896 -4.461 1.00 0.00 N ATOM 418 CA GLN A 26 9.741 -7.318 -4.366 1.00 0.00 C ATOM 419 C GLN A 26 10.370 -7.936 -3.124 1.00 0.00 C ATOM 420 O GLN A 26 9.781 -8.810 -2.488 1.00 0.00 O ATOM 421 CB GLN A 26 10.223 -8.055 -5.618 1.00 0.00 C ATOM 422 CG GLN A 26 9.414 -7.755 -6.868 1.00 0.00 C ATOM 423 CD GLN A 26 9.995 -8.411 -8.106 1.00 0.00 C ATOM 424 OE1 GLN A 26 10.456 -9.555 -8.061 1.00 0.00 O ATOM 425 NE2 GLN A 26 9.978 -7.690 -9.221 1.00 0.00 N ATOM 426 H GLN A 26 10.582 -5.559 -5.250 1.00 0.00 H ATOM 427 HA GLN A 26 8.658 -7.435 -4.305 1.00 0.00 H ATOM 428 1HB GLN A 26 11.262 -7.791 -5.819 1.00 0.00 H ATOM 429 2HB GLN A 26 10.187 -9.130 -5.444 1.00 0.00 H ATOM 430 1HG GLN A 26 8.398 -8.126 -6.729 1.00 0.00 H ATOM 431 2HG GLN A 26 9.398 -6.677 -7.028 1.00 0.00 H ATOM 432 1HE2 GLN A 26 10.348 -8.070 -10.070 1.00 0.00 H ATOM 433 2HE2 GLN A 26 9.595 -6.766 -9.213 1.00 0.00 H ATOM 434 N LYS A 27 11.569 -7.476 -2.783 1.00 0.00 N ATOM 435 CA LYS A 27 12.271 -7.968 -1.605 1.00 0.00 C ATOM 436 C LYS A 27 11.502 -7.647 -0.330 1.00 0.00 C ATOM 437 O LYS A 27 11.756 -8.230 0.724 1.00 0.00 O ATOM 438 CB LYS A 27 13.679 -7.374 -1.533 1.00 0.00 C ATOM 439 CG LYS A 27 14.631 -7.879 -2.609 1.00 0.00 C ATOM 440 CD LYS A 27 15.994 -7.214 -2.498 1.00 0.00 C ATOM 441 CE LYS A 27 16.943 -7.709 -3.580 1.00 0.00 C ATOM 442 NZ LYS A 27 18.282 -7.068 -3.481 1.00 0.00 N ATOM 443 H LYS A 27 12.005 -6.767 -3.355 1.00 0.00 H ATOM 444 HA LYS A 27 12.372 -9.051 -1.689 1.00 0.00 H ATOM 445 1HB LYS A 27 13.621 -6.289 -1.620 1.00 0.00 H ATOM 446 2HB LYS A 27 14.121 -7.601 -0.562 1.00 0.00 H ATOM 447 1HG LYS A 27 14.753 -8.958 -2.510 1.00 0.00 H ATOM 448 2HG LYS A 27 14.212 -7.668 -3.593 1.00 0.00 H ATOM 449 1HD LYS A 27 15.881 -6.133 -2.593 1.00 0.00 H ATOM 450 2HD LYS A 27 16.427 -7.432 -1.522 1.00 0.00 H ATOM 451 1HE LYS A 27 17.062 -8.788 -3.493 1.00 0.00 H ATOM 452 2HE LYS A 27 16.521 -7.490 -4.561 1.00 0.00 H ATOM 453 1HZ LYS A 27 18.880 -7.422 -4.214 1.00 0.00 H ATOM 454 2HZ LYS A 27 18.186 -6.067 -3.580 1.00 0.00 H ATOM 455 3HZ LYS A 27 18.692 -7.280 -2.582 1.00 0.00 H ATOM 456 N ASN A 28 10.559 -6.716 -0.433 1.00 0.00 N ATOM 457 CA ASN A 28 9.771 -6.293 0.719 1.00 0.00 C ATOM 458 C ASN A 28 8.418 -6.992 0.746 1.00 0.00 C ATOM 459 O ASN A 28 7.516 -6.590 1.481 1.00 0.00 O ATOM 460 CB ASN A 28 9.593 -4.786 0.720 1.00 0.00 C ATOM 461 CG ASN A 28 10.866 -4.054 1.043 1.00 0.00 C ATOM 462 OD1 ASN A 28 11.479 -4.283 2.093 1.00 0.00 O ATOM 463 ND2 ASN A 28 11.276 -3.178 0.162 1.00 0.00 N ATOM 464 H ASN A 28 10.385 -6.290 -1.332 1.00 0.00 H ATOM 465 HA ASN A 28 10.314 -6.558 1.625 1.00 0.00 H ATOM 466 1HB ASN A 28 9.239 -4.460 -0.259 1.00 0.00 H ATOM 467 2HB ASN A 28 8.833 -4.510 1.451 1.00 0.00 H ATOM 468 1HD2 ASN A 28 12.117 -2.661 0.324 1.00 0.00 H ATOM 469 2HD2 ASN A 28 10.749 -3.025 -0.674 1.00 0.00 H ATOM 470 N GLY A 29 8.283 -8.041 -0.058 1.00 0.00 N ATOM 471 CA GLY A 29 7.130 -8.930 0.028 1.00 0.00 C ATOM 472 C GLY A 29 6.175 -8.706 -1.137 1.00 0.00 C ATOM 473 O GLY A 29 5.168 -9.403 -1.269 1.00 0.00 O ATOM 474 H GLY A 29 8.998 -8.228 -0.747 1.00 0.00 H ATOM 475 1HA GLY A 29 7.469 -9.966 0.032 1.00 0.00 H ATOM 476 2HA GLY A 29 6.609 -8.758 0.969 1.00 0.00 H ATOM 477 N ALA A 30 6.495 -7.730 -1.980 1.00 0.00 N ATOM 478 CA ALA A 30 5.666 -7.414 -3.137 1.00 0.00 C ATOM 479 C ALA A 30 5.884 -8.419 -4.261 1.00 0.00 C ATOM 480 O ALA A 30 6.989 -8.928 -4.447 1.00 0.00 O ATOM 481 CB ALA A 30 5.955 -6.002 -3.626 1.00 0.00 C ATOM 482 H ALA A 30 7.335 -7.194 -1.815 1.00 0.00 H ATOM 483 HA ALA A 30 4.619 -7.459 -2.835 1.00 0.00 H ATOM 484 1HB ALA A 30 5.329 -5.781 -4.490 1.00 0.00 H ATOM 485 2HB ALA A 30 5.740 -5.290 -2.829 1.00 0.00 H ATOM 486 3HB ALA A 30 7.004 -5.923 -3.908 1.00 0.00 H ATOM 487 N SER A 31 4.823 -8.700 -5.010 1.00 0.00 N ATOM 488 CA SER A 31 4.936 -9.477 -6.238 1.00 0.00 C ATOM 489 C SER A 31 5.477 -8.626 -7.380 1.00 0.00 C ATOM 490 O SER A 31 5.403 -7.398 -7.341 1.00 0.00 O ATOM 491 CB SER A 31 3.585 -10.050 -6.620 1.00 0.00 C ATOM 492 OG SER A 31 2.715 -9.041 -7.053 1.00 0.00 O ATOM 493 H SER A 31 3.914 -8.367 -4.720 1.00 0.00 H ATOM 494 HA SER A 31 5.631 -10.299 -6.065 1.00 0.00 H ATOM 495 1HB SER A 31 3.714 -10.788 -7.411 1.00 0.00 H ATOM 496 2HB SER A 31 3.153 -10.563 -5.762 1.00 0.00 H ATOM 497 HG SER A 31 1.858 -9.249 -6.672 1.00 0.00 H ATOM 498 N PRO A 32 6.022 -9.286 -8.396 1.00 0.00 N ATOM 499 CA PRO A 32 6.517 -8.595 -9.581 1.00 0.00 C ATOM 500 C PRO A 32 5.478 -7.623 -10.126 1.00 0.00 C ATOM 501 O PRO A 32 5.814 -6.523 -10.565 1.00 0.00 O ATOM 502 CB PRO A 32 6.785 -9.742 -10.561 1.00 0.00 C ATOM 503 CG PRO A 32 7.153 -10.892 -9.687 1.00 0.00 C ATOM 504 CD PRO A 32 6.235 -10.768 -8.500 1.00 0.00 C ATOM 505 HA PRO A 32 7.411 -8.035 -9.307 1.00 0.00 H ATOM 506 1HB PRO A 32 5.889 -9.936 -11.168 1.00 0.00 H ATOM 507 2HB PRO A 32 7.589 -9.461 -11.257 1.00 0.00 H ATOM 508 1HG PRO A 32 7.019 -11.839 -10.229 1.00 0.00 H ATOM 509 2HG PRO A 32 8.215 -10.833 -9.408 1.00 0.00 H ATOM 510 1HD PRO A 32 5.294 -11.300 -8.707 1.00 0.00 H ATOM 511 2HD PRO A 32 6.728 -11.184 -7.609 1.00 0.00 H ATOM 512 N GLU A 33 4.215 -8.035 -10.094 1.00 0.00 N ATOM 513 CA GLU A 33 3.119 -7.178 -10.528 1.00 0.00 C ATOM 514 C GLU A 33 2.958 -5.978 -9.602 1.00 0.00 C ATOM 515 O GLU A 33 2.906 -4.835 -10.055 1.00 0.00 O ATOM 516 CB GLU A 33 1.811 -7.971 -10.582 1.00 0.00 C ATOM 517 CG GLU A 33 0.601 -7.158 -11.021 1.00 0.00 C ATOM 518 CD GLU A 33 -0.665 -7.969 -11.061 1.00 0.00 C ATOM 519 OE1 GLU A 33 -0.581 -9.171 -10.974 1.00 0.00 O ATOM 520 OE2 GLU A 33 -1.716 -7.386 -11.180 1.00 0.00 O ATOM 521 H GLU A 33 4.010 -8.966 -9.761 1.00 0.00 H ATOM 522 HA GLU A 33 3.338 -6.817 -11.533 1.00 0.00 H ATOM 523 1HB GLU A 33 1.921 -8.807 -11.274 1.00 0.00 H ATOM 524 2HB GLU A 33 1.596 -8.386 -9.598 1.00 0.00 H ATOM 525 1HG GLU A 33 0.464 -6.327 -10.329 1.00 0.00 H ATOM 526 2HG GLU A 33 0.793 -6.744 -12.010 1.00 0.00 H ATOM 527 N GLN A 34 2.879 -6.246 -8.303 1.00 0.00 N ATOM 528 CA GLN A 34 2.686 -5.193 -7.314 1.00 0.00 C ATOM 529 C GLN A 34 3.820 -4.178 -7.361 1.00 0.00 C ATOM 530 O GLN A 34 3.590 -2.971 -7.289 1.00 0.00 O ATOM 531 CB GLN A 34 2.577 -5.790 -5.909 1.00 0.00 C ATOM 532 CG GLN A 34 1.278 -6.533 -5.647 1.00 0.00 C ATOM 533 CD GLN A 34 1.264 -7.216 -4.293 1.00 0.00 C ATOM 534 OE1 GLN A 34 2.226 -7.890 -3.912 1.00 0.00 O ATOM 535 NE2 GLN A 34 0.173 -7.046 -3.556 1.00 0.00 N ATOM 536 H GLN A 34 2.956 -7.204 -7.993 1.00 0.00 H ATOM 537 HA GLN A 34 1.748 -4.680 -7.534 1.00 0.00 H ATOM 538 1HB GLN A 34 3.401 -6.485 -5.744 1.00 0.00 H ATOM 539 2HB GLN A 34 2.665 -4.996 -5.168 1.00 0.00 H ATOM 540 1HG GLN A 34 0.452 -5.822 -5.680 1.00 0.00 H ATOM 541 2HG GLN A 34 1.145 -7.295 -6.416 1.00 0.00 H ATOM 542 1HE2 GLN A 34 0.106 -7.473 -2.653 1.00 0.00 H ATOM 543 2HE2 GLN A 34 -0.584 -6.492 -3.903 1.00 0.00 H ATOM 544 N ALA A 35 5.047 -4.674 -7.482 1.00 0.00 N ATOM 545 CA ALA A 35 6.220 -3.811 -7.551 1.00 0.00 C ATOM 546 C ALA A 35 6.132 -2.856 -8.735 1.00 0.00 C ATOM 547 O ALA A 35 6.444 -1.672 -8.614 1.00 0.00 O ATOM 548 CB ALA A 35 7.488 -4.646 -7.639 1.00 0.00 C ATOM 549 H ALA A 35 5.170 -5.676 -7.527 1.00 0.00 H ATOM 550 HA ALA A 35 6.273 -3.225 -6.633 1.00 0.00 H ATOM 551 1HB ALA A 35 8.355 -3.987 -7.690 1.00 0.00 H ATOM 552 2HB ALA A 35 7.567 -5.282 -6.757 1.00 0.00 H ATOM 553 3HB ALA A 35 7.453 -5.268 -8.532 1.00 0.00 H ATOM 554 N GLU A 36 5.705 -3.379 -9.879 1.00 0.00 N ATOM 555 CA GLU A 36 5.486 -2.556 -11.063 1.00 0.00 C ATOM 556 C GLU A 36 4.424 -1.494 -10.808 1.00 0.00 C ATOM 557 O GLU A 36 4.629 -0.315 -11.096 1.00 0.00 O ATOM 558 CB GLU A 36 5.074 -3.428 -12.251 1.00 0.00 C ATOM 559 CG GLU A 36 4.843 -2.660 -13.545 1.00 0.00 C ATOM 560 CD GLU A 36 4.435 -3.549 -14.687 1.00 0.00 C ATOM 561 OE1 GLU A 36 4.478 -4.745 -14.529 1.00 0.00 O ATOM 562 OE2 GLU A 36 4.081 -3.030 -15.720 1.00 0.00 O ATOM 563 H GLU A 36 5.527 -4.371 -9.931 1.00 0.00 H ATOM 564 HA GLU A 36 6.423 -2.058 -11.317 1.00 0.00 H ATOM 565 1HB GLU A 36 5.845 -4.175 -12.438 1.00 0.00 H ATOM 566 2HB GLU A 36 4.154 -3.961 -12.009 1.00 0.00 H ATOM 567 1HG GLU A 36 4.062 -1.919 -13.380 1.00 0.00 H ATOM 568 2HG GLU A 36 5.757 -2.132 -13.809 1.00 0.00 H ATOM 569 N ARG A 37 3.288 -1.920 -10.265 1.00 0.00 N ATOM 570 CA ARG A 37 2.190 -1.007 -9.971 1.00 0.00 C ATOM 571 C ARG A 37 2.633 0.101 -9.025 1.00 0.00 C ATOM 572 O ARG A 37 2.299 1.270 -9.222 1.00 0.00 O ATOM 573 CB ARG A 37 1.019 -1.758 -9.354 1.00 0.00 C ATOM 574 CG ARG A 37 0.264 -2.664 -10.314 1.00 0.00 C ATOM 575 CD ARG A 37 -0.891 -3.324 -9.652 1.00 0.00 C ATOM 576 NE ARG A 37 -1.573 -4.247 -10.545 1.00 0.00 N ATOM 577 CZ ARG A 37 -2.493 -3.886 -11.460 1.00 0.00 C ATOM 578 NH1 ARG A 37 -2.830 -2.622 -11.591 1.00 0.00 N ATOM 579 NH2 ARG A 37 -3.058 -4.803 -12.226 1.00 0.00 N ATOM 580 H ARG A 37 3.182 -2.901 -10.051 1.00 0.00 H ATOM 581 HA ARG A 37 1.855 -0.555 -10.906 1.00 0.00 H ATOM 582 1HB ARG A 37 1.377 -2.375 -8.531 1.00 0.00 H ATOM 583 2HB ARG A 37 0.305 -1.045 -8.943 1.00 0.00 H ATOM 584 1HG ARG A 37 -0.112 -2.075 -11.151 1.00 0.00 H ATOM 585 2HG ARG A 37 0.934 -3.439 -10.687 1.00 0.00 H ATOM 586 1HD ARG A 37 -0.541 -3.884 -8.785 1.00 0.00 H ATOM 587 2HD ARG A 37 -1.607 -2.568 -9.331 1.00 0.00 H ATOM 588 HE ARG A 37 -1.340 -5.228 -10.474 1.00 0.00 H ATOM 589 1HH1 ARG A 37 -2.399 -1.921 -11.005 1.00 0.00 H ATOM 590 2HH1 ARG A 37 -3.520 -2.352 -12.277 1.00 0.00 H ATOM 591 1HH2 ARG A 37 -2.799 -5.775 -12.126 1.00 0.00 H ATOM 592 2HH2 ARG A 37 -3.747 -4.533 -12.912 1.00 0.00 H ATOM 593 N ILE A 38 3.387 -0.272 -7.997 1.00 0.00 N ATOM 594 CA ILE A 38 3.910 0.695 -7.039 1.00 0.00 C ATOM 595 C ILE A 38 4.812 1.715 -7.723 1.00 0.00 C ATOM 596 O ILE A 38 4.682 2.919 -7.501 1.00 0.00 O ATOM 597 CB ILE A 38 4.692 -0.011 -5.917 1.00 0.00 C ATOM 598 CG1 ILE A 38 3.743 -0.830 -5.038 1.00 0.00 C ATOM 599 CG2 ILE A 38 5.455 1.004 -5.079 1.00 0.00 C ATOM 600 CD1 ILE A 38 4.444 -1.835 -4.153 1.00 0.00 C ATOM 601 H ILE A 38 3.604 -1.251 -7.875 1.00 0.00 H ATOM 602 HA ILE A 38 3.070 1.221 -6.584 1.00 0.00 H ATOM 603 HB ILE A 38 5.402 -0.713 -6.354 1.00 0.00 H ATOM 604 1HG1 ILE A 38 3.166 -0.159 -4.402 1.00 0.00 H ATOM 605 2HG1 ILE A 38 3.036 -1.368 -5.670 1.00 0.00 H ATOM 606 1HG2 ILE A 38 6.002 0.488 -4.290 1.00 0.00 H ATOM 607 2HG2 ILE A 38 6.157 1.544 -5.713 1.00 0.00 H ATOM 608 3HG2 ILE A 38 4.753 1.709 -4.633 1.00 0.00 H ATOM 609 1HD1 ILE A 38 3.706 -2.377 -3.561 1.00 0.00 H ATOM 610 2HD1 ILE A 38 5.001 -2.540 -4.772 1.00 0.00 H ATOM 611 3HD1 ILE A 38 5.132 -1.316 -3.487 1.00 0.00 H ATOM 612 N LEU A 39 5.725 1.227 -8.555 1.00 0.00 N ATOM 613 CA LEU A 39 6.604 2.098 -9.325 1.00 0.00 C ATOM 614 C LEU A 39 5.803 3.094 -10.154 1.00 0.00 C ATOM 615 O LEU A 39 6.052 4.299 -10.106 1.00 0.00 O ATOM 616 CB LEU A 39 7.503 1.264 -10.246 1.00 0.00 C ATOM 617 CG LEU A 39 8.389 2.062 -11.211 1.00 0.00 C ATOM 618 CD1 LEU A 39 9.421 2.853 -10.419 1.00 0.00 C ATOM 619 CD2 LEU A 39 9.063 1.109 -12.187 1.00 0.00 C ATOM 620 H LEU A 39 5.813 0.226 -8.656 1.00 0.00 H ATOM 621 HA LEU A 39 7.238 2.651 -8.631 1.00 0.00 H ATOM 622 1HB LEU A 39 8.156 0.649 -9.629 1.00 0.00 H ATOM 623 2HB LEU A 39 6.873 0.604 -10.842 1.00 0.00 H ATOM 624 HG LEU A 39 7.776 2.774 -11.764 1.00 0.00 H ATOM 625 1HD1 LEU A 39 10.050 3.419 -11.105 1.00 0.00 H ATOM 626 2HD1 LEU A 39 8.912 3.540 -9.743 1.00 0.00 H ATOM 627 3HD1 LEU A 39 10.040 2.167 -9.841 1.00 0.00 H ATOM 628 1HD2 LEU A 39 9.692 1.676 -12.874 1.00 0.00 H ATOM 629 2HD2 LEU A 39 9.677 0.397 -11.636 1.00 0.00 H ATOM 630 3HD2 LEU A 39 8.302 0.569 -12.753 1.00 0.00 H ATOM 631 N ARG A 40 4.840 2.585 -10.914 1.00 0.00 N ATOM 632 CA ARG A 40 4.049 3.419 -11.811 1.00 0.00 C ATOM 633 C ARG A 40 3.280 4.483 -11.038 1.00 0.00 C ATOM 634 O ARG A 40 3.160 5.623 -11.485 1.00 0.00 O ATOM 635 CB ARG A 40 3.071 2.570 -12.610 1.00 0.00 C ATOM 636 CG ARG A 40 3.708 1.694 -13.677 1.00 0.00 C ATOM 637 CD ARG A 40 2.688 0.940 -14.450 1.00 0.00 C ATOM 638 NE ARG A 40 3.296 0.039 -15.415 1.00 0.00 N ATOM 639 CZ ARG A 40 3.735 0.407 -16.635 1.00 0.00 C ATOM 640 NH1 ARG A 40 3.627 1.659 -17.022 1.00 0.00 N ATOM 641 NH2 ARG A 40 4.274 -0.490 -17.442 1.00 0.00 N ATOM 642 H ARG A 40 4.651 1.593 -10.870 1.00 0.00 H ATOM 643 HA ARG A 40 4.725 3.915 -12.509 1.00 0.00 H ATOM 644 1HB ARG A 40 2.520 1.918 -11.934 1.00 0.00 H ATOM 645 2HB ARG A 40 2.346 3.217 -13.104 1.00 0.00 H ATOM 646 1HG ARG A 40 4.273 2.317 -14.370 1.00 0.00 H ATOM 647 2HG ARG A 40 4.380 0.976 -13.205 1.00 0.00 H ATOM 648 1HD ARG A 40 2.079 0.348 -13.768 1.00 0.00 H ATOM 649 2HD ARG A 40 2.052 1.640 -14.990 1.00 0.00 H ATOM 650 HE ARG A 40 3.396 -0.932 -15.153 1.00 0.00 H ATOM 651 1HH1 ARG A 40 3.215 2.345 -16.405 1.00 0.00 H ATOM 652 2HH1 ARG A 40 3.956 1.935 -17.936 1.00 0.00 H ATOM 653 1HH2 ARG A 40 4.357 -1.452 -17.144 1.00 0.00 H ATOM 654 2HH2 ARG A 40 4.603 -0.214 -18.355 1.00 0.00 H ATOM 655 N GLU A 41 2.760 4.102 -9.876 1.00 0.00 N ATOM 656 CA GLU A 41 2.046 5.037 -9.014 1.00 0.00 C ATOM 657 C GLU A 41 3.008 6.002 -8.333 1.00 0.00 C ATOM 658 O GLU A 41 2.663 7.154 -8.070 1.00 0.00 O ATOM 659 CB GLU A 41 1.238 4.278 -7.959 1.00 0.00 C ATOM 660 CG GLU A 41 0.058 3.494 -8.515 1.00 0.00 C ATOM 661 CD GLU A 41 -0.602 2.620 -7.485 1.00 0.00 C ATOM 662 OE1 GLU A 41 -0.005 2.387 -6.461 1.00 0.00 O ATOM 663 OE2 GLU A 41 -1.704 2.184 -7.722 1.00 0.00 O ATOM 664 H GLU A 41 2.861 3.141 -9.583 1.00 0.00 H ATOM 665 HA GLU A 41 1.350 5.610 -9.626 1.00 0.00 H ATOM 666 1HB GLU A 41 1.889 3.576 -7.437 1.00 0.00 H ATOM 667 2HB GLU A 41 0.854 4.981 -7.219 1.00 0.00 H ATOM 668 1HG GLU A 41 -0.680 4.195 -8.905 1.00 0.00 H ATOM 669 2HG GLU A 41 0.403 2.875 -9.342 1.00 0.00 H ATOM 670 N ALA A 42 4.215 5.525 -8.049 1.00 0.00 N ATOM 671 CA ALA A 42 5.248 6.362 -7.451 1.00 0.00 C ATOM 672 C ALA A 42 5.700 7.452 -8.415 1.00 0.00 C ATOM 673 O ALA A 42 5.932 8.592 -8.013 1.00 0.00 O ATOM 674 CB ALA A 42 6.435 5.512 -7.020 1.00 0.00 C ATOM 675 H ALA A 42 4.422 4.558 -8.253 1.00 0.00 H ATOM 676 HA ALA A 42 4.837 6.834 -6.558 1.00 0.00 H ATOM 677 1HB ALA A 42 7.197 6.151 -6.575 1.00 0.00 H ATOM 678 2HB ALA A 42 6.107 4.775 -6.287 1.00 0.00 H ATOM 679 3HB ALA A 42 6.850 5.001 -7.887 1.00 0.00 H ATOM 680 N GLN A 43 5.824 7.094 -9.688 1.00 0.00 N ATOM 681 CA GLN A 43 6.290 8.030 -10.705 1.00 0.00 C ATOM 682 C GLN A 43 5.174 8.970 -11.142 1.00 0.00 C ATOM 683 O GLN A 43 3.998 8.606 -11.119 1.00 0.00 O ATOM 684 OXT GLN A 43 5.436 10.080 -11.515 1.00 0.00 O ATOM 685 CB GLN A 43 6.842 7.274 -11.917 1.00 0.00 C ATOM 686 CG GLN A 43 8.118 6.498 -11.639 1.00 0.00 C ATOM 687 CD GLN A 43 8.606 5.733 -12.854 1.00 0.00 C ATOM 688 OE1 GLN A 43 7.878 4.917 -13.426 1.00 0.00 O ATOM 689 NE2 GLN A 43 9.845 5.992 -13.256 1.00 0.00 N ATOM 690 H GLN A 43 5.589 6.150 -9.959 1.00 0.00 H ATOM 691 HA GLN A 43 7.096 8.628 -10.281 1.00 0.00 H ATOM 692 1HB GLN A 43 6.092 6.570 -12.278 1.00 0.00 H ATOM 693 2HB GLN A 43 7.045 7.978 -12.723 1.00 0.00 H ATOM 694 1HG GLN A 43 8.898 7.198 -11.339 1.00 0.00 H ATOM 695 2HG GLN A 43 7.929 5.783 -10.838 1.00 0.00 H ATOM 696 1HE2 GLN A 43 10.223 5.518 -14.053 1.00 0.00 H ATOM 697 2HE2 GLN A 43 10.402 6.661 -12.764 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE nods_bigger.blueprint.44_try101_pass_20151108065539_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_intra_sol_xover4 lk_ball_wtd fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 rama omega fa_dun p_aa_pp yhh_planarity ref total weights 1 0.55 1 0.005 1 1 1 1.25 1.17 1.17 1.17 1.1 1.25 0.25 0.625 0.7 0.4 0.625 1 NA pose -214.691 20.3068 116.012 0.3795 6.76252 0.13003 -32.2385 0.41182 -26.322 -1.59299 -5.5825 -9.28162 0 -7.05159 3.71452 55.664 -8.20044 0 -7.98833 -109.568 PRO:NtermProteinFull_1 -3.46259 0.21344 2.24623 0.00863 0.05306 -0.19115 -0.064 0.19651 0 0 0 0 0 0 0.11413 0.07117 0 0 -0.97642 -1.79099 ASP_2 -2.82675 0.12827 2.78592 0.00366 0.24046 -0.01952 -0.65219 0 0 0 0 0 0 -0.17501 0.00803 1.60473 0.04098 0 -2.00354 -0.86496 GLU_3 -3.47031 0.13552 3.34939 0.00783 0.68813 0.23662 -1.5363 0 0 0 0 -0.66475 0 -0.31156 0.01653 2.97695 -0.20473 0 -2.28137 -1.05805 LEU_4 -5.95144 0.57347 0.77979 0.01614 0.03192 -0.04251 -0.02757 0 0 0 0 0 0 -0.16292 0.43224 0.17228 -0.14491 0 1.68043 -2.64309 ARG_5 -7.22663 0.37933 5.64146 0.01363 0.14956 0.20709 -2.72245 0 0 0 0 -0.60238 0 -0.17352 0.27242 2.05603 -0.0821 0 -0.4 -2.48755 ARG_6 -5.91066 0.27794 6.05799 0.02246 0.56443 0.22707 -3.2481 0 0 0 0 -1.13006 0 -0.05897 0.05507 1.83934 -0.09527 0 -0.4 -1.79875 LEU_7 -6.26048 0.65738 2.13829 0.01505 0.05956 -0.12617 -0.45967 0 0 0 0 0 0 0.10665 0.02886 0.3639 -0.10951 0 1.68043 -1.90571 ALA_8 -5.54644 0.43234 1.15093 0.00081 0 0 -0.38056 0 0 0 0 0 0 -0.1152 0.00024 0 -0.19526 0 1.56209 -3.09106 GLN_9 -5.31107 0.42476 3.51713 0.00599 0.15236 -0.08521 -0.62367 0 0 0 -0.82334 0 0 -0.15297 0.00145 2.41484 -0.11548 0 -1.60738 -2.20261 GLU_10 -5.62354 0.3074 5.18883 0.0069 0.21777 -0.19641 -1.68732 0 0 0 0 -0.46531 0 -0.28208 0.03638 2.73574 -0.1476 0 -2.28137 -2.19062 LEU_11 -8.12148 1.18496 0.92359 0.0127 0.02625 -0.01842 -0.53342 0 0 0 0 0 0 -0.08707 0.0526 0.5537 -0.1477 0 1.68043 -4.47386 LEU_12 -5.91558 0.46006 1.6007 0.01185 0.02751 -0.06746 -0.36575 0 0 0 0 0 0 -0.12367 0.04988 0.45546 -0.15143 0 1.68043 -2.33801 ASN_13 -3.03421 0.2453 2.56896 0.00471 0.20577 -0.20521 -0.27855 0 0 0 0 0 0 -0.15248 0.00154 1.38417 0.00407 0 -1.09912 -0.35505 ASN_14 -3.31008 0.29085 2.5022 0.00527 0.2209 -0.18244 -0.11342 0 0 0 0 0 0 -0.30278 0.10854 1.7437 -0.31112 0 -1.09912 -0.4475 GLY_15 -1.46755 0.17661 1.39147 3e-05 0 -0.01714 0.15077 0 0 0 0 0 0 -0.4409 0.0648 0 -0.99138 0 0.8121 -0.32119 VAL_16 -5.14787 0.57066 0.45415 0.01594 0.02044 -0.00121 -0.11283 0 0 0 0 0 0 -0.29324 0.03001 0.03385 -0.26759 0 2.2876 -2.41008 ASP_17 -3.60412 0.96426 2.36555 0.00362 0.21938 -0.03953 -0.45647 0.01356 0 0 0 0 0 -0.24221 0.03535 1.88257 0.08026 0 -2.00354 -0.78133 PRO_18 -4.37996 0.8468 1.24594 0.0015 0.02042 -0.05122 -0.24244 0.11487 0 0 0 0 0 0.02336 0.0003 0.23197 -0.51426 0 -0.97642 -3.67915 GLU_19 -4.00006 0.32922 3.32209 0.00544 0.613 0.03223 -1.17367 0 0 0 0 -0.55471 0 -0.27573 0.10632 3.27505 -0.22042 0 -2.28137 -0.82261 GLU_20 -5.52741 0.4265 3.90858 0.00658 0.6417 0.08129 -1.59564 0 0 0 0 -0.64793 0 -0.31415 0.40753 2.85701 -0.1994 0 -2.28137 -2.23672 VAL_21 -7.78984 1.12701 0.58505 0.01967 0.02454 -0.00114 -0.53677 0 0 0 0 0 0 0.0681 0.02722 0.01884 -0.04025 0 2.2876 -4.20997 ARG_22 -8.04194 0.5808 5.40786 0.01338 0.24659 -0.11478 -1.85671 0 0 0 0 -0.55471 0 -0.10509 0.02966 2.35521 -0.13701 0 -0.4 -2.57673 LYS_23 -5.42492 0.3414 4.51568 0.00646 0.07332 0.05336 -1.75968 0 0 0 0 -0.64793 0 -0.13575 6e-05 1.28112 -0.04274 0 -0.47142 -2.21105 ILE_24 -5.84194 0.50154 1.68133 0.02868 0.03625 -0.07474 -0.1899 0 0 0 0 0 0 -0.06794 0.03058 0.1793 -0.03674 0 2.27849 -1.4751 LEU_25 -8.35868 0.98918 0.43746 0.0128 0.02762 0.03805 -0.5389 0 0 0 0 0 0 -0.11993 0.01077 0.37741 -0.15332 0 1.68043 -5.59711 GLN_26 -6.6192 0.97732 3.88054 0.0054 0.15976 -0.22689 -0.44336 0 0 0 0 0 0 -0.2004 0.00572 2.851 -0.17194 0 -1.60738 -1.38945 LYS_27 -3.04263 0.32982 2.25464 0.00663 0.08272 -0.06944 -0.18389 0 0 0 0 0 0 -0.2506 0.01298 0.90519 -0.04594 0 -0.47142 -0.47194 ASN_28 -3.30961 0.53817 2.12093 0.00529 0.22393 -0.17187 -0.19687 0 0 0 0 0 0 -0.33517 0.66636 1.88698 -0.47325 0 -1.09912 -0.14425 GLY_29 -1.19064 0.11495 1.27979 1e-05 0 -0.02034 0.10529 0 0 0 0 0 0 -0.30343 4e-05 0 -1.00964 0 0.8121 -0.21187 ALA_30 -3.79651 0.38851 1.0139 0.00084 0 -0.01356 0.13193 0 0 0 0 0 0 -0.36326 0.59117 0 -0.13754 0 1.56209 -0.62243 SER_31 -4.29433 0.72061 3.73672 0.00151 0.05544 0.0688 -1.08303 0.002 0 0 -1.96791 0 0 -0.34681 0.05957 0.24942 -0.27193 0 0.5 -2.56993 PRO_32 -3.23955 0.51335 1.9504 0.00153 0.02027 -0.13147 -0.31066 0.08489 0 0 0 0 0 0.10221 0.0506 0.08639 -0.48225 0 -0.97642 -2.33071 GLU_33 -4.07297 0.33935 3.66433 0.00952 0.259 0.35189 -1.49055 0 0 0 0 -0.85213 0 -0.1199 0.01931 2.8109 -0.12402 0 -2.28137 -1.48664 GLN_34 -5.54628 0.44633 3.88128 0.00523 0.15889 0.11548 -0.8273 0 0 0 -1.96791 0 0 -0.12666 0.00196 2.57175 -0.10144 0 -1.60738 -2.99605 ALA_35 -5.86896 0.36923 1.68571 0.00081 0 0.04996 -0.46611 0 0 0 0 0 0 -0.17501 0.11797 0 -0.21704 0 1.56209 -2.94135 GLU_36 -5.93456 0.30257 5.38683 0.00941 0.26323 0.10955 -1.63485 0 0 0 0 -0.85359 0 -0.15016 3e-05 2.70098 -0.13558 0 -2.28137 -2.21752 ARG_37 -5.30114 0.22309 4.48352 0.01452 0.22777 0.28707 -1.60218 0 0 0 0 -0.85213 0 -0.16917 0.02041 2.10865 -0.12381 0 -0.4 -1.08339 ILE_38 -7.54733 0.83428 1.16982 0.02719 0.03502 -0.03982 -0.55438 0 0 0 0 0 0 0.00212 0.06479 0.21157 -0.11716 0 2.27849 -3.63541 LEU_39 -7.1151 0.6193 1.8645 0.01436 0.0574 -0.14199 -0.46605 0 0 0 0 0 0 0.02962 0.07442 0.51981 -0.11042 0 1.68043 -2.97372 ARG_40 -4.47187 0.14968 3.87326 0.01452 0.22915 0.37623 -1.07508 0 0 0 0 -0.85359 0 -0.25034 0.03725 2.00652 -0.09917 0 -0.4 -0.46343 GLU_41 -4.09388 0.23358 4.26284 0.00701 0.22723 0.25309 -1.66457 0 0 0 0 -0.60238 0 -0.28643 0.04639 2.72693 -0.20984 0 -2.28137 -1.3814 ALA_42 -3.93556 0.48876 1.24585 0.00082 0 0.05768 -0.0322 0 0 0 -0.82334 0 0 -0.21315 0.02503 0 -0.18656 0 1.56209 -1.81059 GLN:CtermProteinFull_43 -3.75511 0.15292 2.49015 0.00517 0.20176 -0.1658 0.56061 0 0 0 0 0 0 0 0 3.16351 0 0 -1.60738 1.04584 #END_POSE_ENERGIES_TABLE nods_bigger.blueprint.44_try101_pass_20151108065539_0001.pdb AlaCount 4 bb -0.0370376 buried_minus_exposed 3675.57 buried_np 5148.28 buried_over_exposed 3.49575 cavity_volume 0 contact_all 232 contact_core_SASA 232 contact_core_SCN 232 degree 10.3023 exposed_hydrophobics 1472.72 exposed_polars 1536.94 exposed_total 3009.66 fxn_exposed_is_np 0.489331 holes -1.30176 mismatch_probability 0.0778511 pack 0.657758 percent_core_SASA 0.116252 percent_core_SCN 0.116252 res_count_core_SASA 5 res_count_core_SCN 5 sidechain_neighbors -95.5681 ss_sc 0.809347 unsat_hbond 5
HHH_rd3_0008.pdb
ATOM 1 N THR A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA THR A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C THR A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O THR A 1 1.622 2.246 -0.826 1.00 0.00 O ATOM 5 CB THR A 1 2.012 -0.770 -1.213 1.00 0.00 C ATOM 6 OG1 THR A 1 1.594 -2.139 -1.145 1.00 0.00 O ATOM 7 CG2 THR A 1 3.532 -0.708 -1.235 1.00 0.00 C ATOM 8 1H THR A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 9 2H THR A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 10 3H THR A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 11 HA THR A 1 1.804 -0.495 0.908 1.00 0.00 H ATOM 12 HB THR A 1 1.623 -0.331 -2.131 1.00 0.00 H ATOM 13 HG1 THR A 1 0.699 -2.217 -1.484 1.00 0.00 H ATOM 14 1HG2 THR A 1 3.906 -1.257 -2.099 1.00 0.00 H ATOM 15 2HG2 THR A 1 3.853 0.331 -1.298 1.00 0.00 H ATOM 16 3HG2 THR A 1 3.927 -1.155 -0.323 1.00 0.00 H ATOM 17 N GLU A 2 2.915 1.698 0.931 1.00 0.00 N ATOM 18 CA GLU A 2 3.491 3.031 1.067 1.00 0.00 C ATOM 19 C GLU A 2 4.168 3.472 -0.224 1.00 0.00 C ATOM 20 O GLU A 2 3.923 4.571 -0.721 1.00 0.00 O ATOM 21 CB GLU A 2 4.497 3.062 2.219 1.00 0.00 C ATOM 22 CG GLU A 2 5.159 4.415 2.438 1.00 0.00 C ATOM 23 CD GLU A 2 6.127 4.413 3.589 1.00 0.00 C ATOM 24 OE1 GLU A 2 6.065 3.513 4.391 1.00 0.00 O ATOM 25 OE2 GLU A 2 6.931 5.313 3.665 1.00 0.00 O ATOM 26 H GLU A 2 3.212 0.967 1.562 1.00 0.00 H ATOM 27 HA GLU A 2 2.688 3.732 1.298 1.00 0.00 H ATOM 28 1HB GLU A 2 3.999 2.779 3.146 1.00 0.00 H ATOM 29 2HB GLU A 2 5.284 2.331 2.034 1.00 0.00 H ATOM 30 1HG GLU A 2 5.692 4.699 1.531 1.00 0.00 H ATOM 31 2HG GLU A 2 4.387 5.160 2.621 1.00 0.00 H ATOM 32 N LYS A 3 5.021 2.608 -0.764 1.00 0.00 N ATOM 33 CA LYS A 3 5.793 2.937 -1.957 1.00 0.00 C ATOM 34 C LYS A 3 4.882 3.354 -3.104 1.00 0.00 C ATOM 35 O LYS A 3 5.192 4.285 -3.848 1.00 0.00 O ATOM 36 CB LYS A 3 6.659 1.749 -2.378 1.00 0.00 C ATOM 37 CG LYS A 3 7.582 2.031 -3.557 1.00 0.00 C ATOM 38 CD LYS A 3 8.444 0.821 -3.884 1.00 0.00 C ATOM 39 CE LYS A 3 9.320 1.078 -5.102 1.00 0.00 C ATOM 40 NZ LYS A 3 10.037 -0.150 -5.541 1.00 0.00 N ATOM 41 H LYS A 3 5.138 1.700 -0.337 1.00 0.00 H ATOM 42 HA LYS A 3 6.459 3.767 -1.719 1.00 0.00 H ATOM 43 1HB LYS A 3 7.277 1.433 -1.537 1.00 0.00 H ATOM 44 2HB LYS A 3 6.019 0.909 -2.648 1.00 0.00 H ATOM 45 1HG LYS A 3 6.986 2.289 -4.432 1.00 0.00 H ATOM 46 2HG LYS A 3 8.230 2.874 -3.318 1.00 0.00 H ATOM 47 1HD LYS A 3 9.083 0.587 -3.031 1.00 0.00 H ATOM 48 2HD LYS A 3 7.805 -0.039 -4.084 1.00 0.00 H ATOM 49 1HE LYS A 3 8.702 1.436 -5.925 1.00 0.00 H ATOM 50 2HE LYS A 3 10.054 1.848 -4.867 1.00 0.00 H ATOM 51 1HZ LYS A 3 10.606 0.062 -6.349 1.00 0.00 H ATOM 52 2HZ LYS A 3 10.628 -0.481 -4.791 1.00 0.00 H ATOM 53 3HZ LYS A 3 9.366 -0.865 -5.781 1.00 0.00 H ATOM 54 N GLN A 4 3.758 2.660 -3.243 1.00 0.00 N ATOM 55 CA GLN A 4 2.792 2.968 -4.291 1.00 0.00 C ATOM 56 C GLN A 4 2.226 4.372 -4.123 1.00 0.00 C ATOM 57 O GLN A 4 2.107 5.124 -5.091 1.00 0.00 O ATOM 58 CB GLN A 4 1.655 1.943 -4.290 1.00 0.00 C ATOM 59 CG GLN A 4 2.047 0.578 -4.830 1.00 0.00 C ATOM 60 CD GLN A 4 0.900 -0.413 -4.786 1.00 0.00 C ATOM 61 OE1 GLN A 4 -0.016 -0.289 -3.967 1.00 0.00 O ATOM 62 NE2 GLN A 4 0.942 -1.406 -5.667 1.00 0.00 N ATOM 63 H GLN A 4 3.567 1.900 -2.607 1.00 0.00 H ATOM 64 HA GLN A 4 3.297 2.908 -5.256 1.00 0.00 H ATOM 65 1HB GLN A 4 1.286 1.810 -3.273 1.00 0.00 H ATOM 66 2HB GLN A 4 0.827 2.317 -4.893 1.00 0.00 H ATOM 67 1HG GLN A 4 2.366 0.686 -5.866 1.00 0.00 H ATOM 68 2HG GLN A 4 2.864 0.182 -4.227 1.00 0.00 H ATOM 69 1HE2 GLN A 4 0.212 -2.090 -5.686 1.00 0.00 H ATOM 70 2HE2 GLN A 4 1.703 -1.469 -6.313 1.00 0.00 H ATOM 71 N GLU A 5 1.878 4.721 -2.889 1.00 0.00 N ATOM 72 CA GLU A 5 1.316 6.033 -2.593 1.00 0.00 C ATOM 73 C GLU A 5 2.339 7.137 -2.830 1.00 0.00 C ATOM 74 O GLU A 5 1.989 8.242 -3.246 1.00 0.00 O ATOM 75 CB GLU A 5 0.819 6.087 -1.147 1.00 0.00 C ATOM 76 CG GLU A 5 -0.385 5.200 -0.862 1.00 0.00 C ATOM 77 CD GLU A 5 -1.618 5.632 -1.605 1.00 0.00 C ATOM 78 OE1 GLU A 5 -2.019 6.760 -1.448 1.00 0.00 O ATOM 79 OE2 GLU A 5 -2.161 4.832 -2.331 1.00 0.00 O ATOM 80 H GLU A 5 2.007 4.060 -2.136 1.00 0.00 H ATOM 81 HA GLU A 5 0.462 6.200 -3.251 1.00 0.00 H ATOM 82 1HB GLU A 5 1.623 5.786 -0.475 1.00 0.00 H ATOM 83 2HB GLU A 5 0.547 7.112 -0.893 1.00 0.00 H ATOM 84 1HG GLU A 5 -0.144 4.176 -1.146 1.00 0.00 H ATOM 85 2HG GLU A 5 -0.587 5.213 0.208 1.00 0.00 H ATOM 86 N ARG A 6 3.604 6.831 -2.563 1.00 0.00 N ATOM 87 CA ARG A 6 4.691 7.763 -2.837 1.00 0.00 C ATOM 88 C ARG A 6 4.904 7.937 -4.335 1.00 0.00 C ATOM 89 O ARG A 6 5.161 9.042 -4.812 1.00 0.00 O ATOM 90 CB ARG A 6 5.984 7.281 -2.196 1.00 0.00 C ATOM 91 CG ARG A 6 6.031 7.400 -0.681 1.00 0.00 C ATOM 92 CD ARG A 6 7.353 6.996 -0.139 1.00 0.00 C ATOM 93 NE ARG A 6 7.398 7.094 1.311 1.00 0.00 N ATOM 94 CZ ARG A 6 7.652 8.227 1.994 1.00 0.00 C ATOM 95 NH1 ARG A 6 7.882 9.348 1.346 1.00 0.00 N ATOM 96 NH2 ARG A 6 7.670 8.213 3.315 1.00 0.00 N ATOM 97 H ARG A 6 3.818 5.930 -2.161 1.00 0.00 H ATOM 98 HA ARG A 6 4.434 8.732 -2.406 1.00 0.00 H ATOM 99 1HB ARG A 6 6.147 6.234 -2.450 1.00 0.00 H ATOM 100 2HB ARG A 6 6.823 7.849 -2.598 1.00 0.00 H ATOM 101 1HG ARG A 6 5.842 8.434 -0.392 1.00 0.00 H ATOM 102 2HG ARG A 6 5.269 6.755 -0.242 1.00 0.00 H ATOM 103 1HD ARG A 6 7.561 5.964 -0.417 1.00 0.00 H ATOM 104 2HD ARG A 6 8.127 7.645 -0.548 1.00 0.00 H ATOM 105 HE ARG A 6 7.225 6.252 1.845 1.00 0.00 H ATOM 106 1HH1 ARG A 6 7.869 9.359 0.336 1.00 0.00 H ATOM 107 2HH1 ARG A 6 8.073 10.197 1.858 1.00 0.00 H ATOM 108 1HH2 ARG A 6 7.493 7.351 3.814 1.00 0.00 H ATOM 109 2HH2 ARG A 6 7.861 9.062 3.827 1.00 0.00 H ATOM 110 N ALA A 7 4.796 6.838 -5.074 1.00 0.00 N ATOM 111 CA ALA A 7 4.866 6.883 -6.530 1.00 0.00 C ATOM 112 C ALA A 7 3.718 7.699 -7.111 1.00 0.00 C ATOM 113 O ALA A 7 3.903 8.462 -8.059 1.00 0.00 O ATOM 114 CB ALA A 7 4.858 5.475 -7.105 1.00 0.00 C ATOM 115 H ALA A 7 4.663 5.948 -4.616 1.00 0.00 H ATOM 116 HA ALA A 7 5.808 7.352 -6.817 1.00 0.00 H ATOM 117 1HB ALA A 7 4.910 5.525 -8.193 1.00 0.00 H ATOM 118 2HB ALA A 7 5.717 4.922 -6.726 1.00 0.00 H ATOM 119 3HB ALA A 7 3.941 4.967 -6.809 1.00 0.00 H ATOM 120 N ILE A 8 2.531 7.533 -6.536 1.00 0.00 N ATOM 121 CA ILE A 8 1.370 8.319 -6.937 1.00 0.00 C ATOM 122 C ILE A 8 1.614 9.808 -6.731 1.00 0.00 C ATOM 123 O ILE A 8 1.355 10.618 -7.621 1.00 0.00 O ATOM 124 CB ILE A 8 0.118 7.890 -6.149 1.00 0.00 C ATOM 125 CG1 ILE A 8 -0.338 6.496 -6.589 1.00 0.00 C ATOM 126 CG2 ILE A 8 -1.001 8.903 -6.336 1.00 0.00 C ATOM 127 CD1 ILE A 8 -1.330 5.853 -5.648 1.00 0.00 C ATOM 128 H ILE A 8 2.431 6.846 -5.803 1.00 0.00 H ATOM 129 HA ILE A 8 1.179 8.139 -7.996 1.00 0.00 H ATOM 130 HB ILE A 8 0.361 7.822 -5.090 1.00 0.00 H ATOM 131 1HG1 ILE A 8 -0.794 6.558 -7.577 1.00 0.00 H ATOM 132 2HG1 ILE A 8 0.528 5.839 -6.671 1.00 0.00 H ATOM 133 1HG2 ILE A 8 -1.878 8.584 -5.773 1.00 0.00 H ATOM 134 2HG2 ILE A 8 -0.673 9.877 -5.975 1.00 0.00 H ATOM 135 3HG2 ILE A 8 -1.255 8.974 -7.394 1.00 0.00 H ATOM 136 1HD1 ILE A 8 -1.605 4.868 -6.027 1.00 0.00 H ATOM 137 2HD1 ILE A 8 -0.880 5.749 -4.660 1.00 0.00 H ATOM 138 3HD1 ILE A 8 -2.221 6.476 -5.578 1.00 0.00 H ATOM 139 N GLU A 9 2.115 10.163 -5.553 1.00 0.00 N ATOM 140 CA GLU A 9 2.480 11.544 -5.260 1.00 0.00 C ATOM 141 C GLU A 9 3.449 12.090 -6.301 1.00 0.00 C ATOM 142 O GLU A 9 3.234 13.165 -6.860 1.00 0.00 O ATOM 143 CB GLU A 9 3.104 11.647 -3.866 1.00 0.00 C ATOM 144 CG GLU A 9 3.546 13.050 -3.477 1.00 0.00 C ATOM 145 CD GLU A 9 4.244 13.096 -2.146 1.00 0.00 C ATOM 146 OE1 GLU A 9 4.086 12.174 -1.382 1.00 0.00 O ATOM 147 OE2 GLU A 9 4.935 14.054 -1.893 1.00 0.00 O ATOM 148 H GLU A 9 2.246 9.458 -4.841 1.00 0.00 H ATOM 149 HA GLU A 9 1.575 12.152 -5.272 1.00 0.00 H ATOM 150 1HB GLU A 9 2.386 11.304 -3.121 1.00 0.00 H ATOM 151 2HB GLU A 9 3.974 10.993 -3.808 1.00 0.00 H ATOM 152 1HG GLU A 9 4.223 13.431 -4.242 1.00 0.00 H ATOM 153 2HG GLU A 9 2.673 13.700 -3.447 1.00 0.00 H ATOM 154 N TYR A 10 4.517 11.342 -6.558 1.00 0.00 N ATOM 155 CA TYR A 10 5.510 11.739 -7.549 1.00 0.00 C ATOM 156 C TYR A 10 4.862 12.016 -8.899 1.00 0.00 C ATOM 157 O TYR A 10 5.084 13.067 -9.501 1.00 0.00 O ATOM 158 CB TYR A 10 6.588 10.662 -7.688 1.00 0.00 C ATOM 159 CG TYR A 10 7.639 10.981 -8.729 1.00 0.00 C ATOM 160 CD1 TYR A 10 8.681 11.842 -8.420 1.00 0.00 C ATOM 161 CD2 TYR A 10 7.560 10.412 -9.991 1.00 0.00 C ATOM 162 CE1 TYR A 10 9.641 12.133 -9.371 1.00 0.00 C ATOM 163 CE2 TYR A 10 8.519 10.703 -10.941 1.00 0.00 C ATOM 164 CZ TYR A 10 9.556 11.560 -10.634 1.00 0.00 C ATOM 165 OH TYR A 10 10.512 11.850 -11.581 1.00 0.00 O ATOM 166 H TYR A 10 4.643 10.475 -6.055 1.00 0.00 H ATOM 167 HA TYR A 10 5.999 12.651 -7.202 1.00 0.00 H ATOM 168 1HB TYR A 10 7.089 10.522 -6.730 1.00 0.00 H ATOM 169 2HB TYR A 10 6.122 9.714 -7.955 1.00 0.00 H ATOM 170 HD1 TYR A 10 8.743 12.289 -7.428 1.00 0.00 H ATOM 171 HD2 TYR A 10 6.740 9.736 -10.234 1.00 0.00 H ATOM 172 HE1 TYR A 10 10.460 12.810 -9.128 1.00 0.00 H ATOM 173 HE2 TYR A 10 8.456 10.256 -11.934 1.00 0.00 H ATOM 174 HH TYR A 10 11.037 12.598 -11.285 1.00 0.00 H ATOM 175 N ILE A 11 4.060 11.068 -9.370 1.00 0.00 N ATOM 176 CA ILE A 11 3.388 11.202 -10.657 1.00 0.00 C ATOM 177 C ILE A 11 2.533 12.462 -10.703 1.00 0.00 C ATOM 178 O ILE A 11 2.521 13.179 -11.704 1.00 0.00 O ATOM 179 CB ILE A 11 2.508 9.973 -10.948 1.00 0.00 C ATOM 180 CG1 ILE A 11 3.379 8.739 -11.197 1.00 0.00 C ATOM 181 CG2 ILE A 11 1.602 10.238 -12.141 1.00 0.00 C ATOM 182 CD1 ILE A 11 2.609 7.438 -11.201 1.00 0.00 C ATOM 183 H ILE A 11 3.913 10.232 -8.823 1.00 0.00 H ATOM 184 HA ILE A 11 4.146 11.265 -11.439 1.00 0.00 H ATOM 185 HB ILE A 11 1.891 9.753 -10.077 1.00 0.00 H ATOM 186 1HG1 ILE A 11 3.886 8.839 -12.156 1.00 0.00 H ATOM 187 2HG1 ILE A 11 4.149 8.676 -10.427 1.00 0.00 H ATOM 188 1HG2 ILE A 11 0.987 9.359 -12.333 1.00 0.00 H ATOM 189 2HG2 ILE A 11 0.959 11.090 -11.927 1.00 0.00 H ATOM 190 3HG2 ILE A 11 2.211 10.454 -13.019 1.00 0.00 H ATOM 191 1HD1 ILE A 11 3.295 6.610 -11.383 1.00 0.00 H ATOM 192 2HD1 ILE A 11 2.122 7.301 -10.235 1.00 0.00 H ATOM 193 3HD1 ILE A 11 1.856 7.464 -11.987 1.00 0.00 H ATOM 194 N ARG A 12 1.819 12.727 -9.614 1.00 0.00 N ATOM 195 CA ARG A 12 1.020 13.941 -9.498 1.00 0.00 C ATOM 196 C ARG A 12 1.881 15.185 -9.673 1.00 0.00 C ATOM 197 O ARG A 12 1.483 16.138 -10.344 1.00 0.00 O ATOM 198 CB ARG A 12 0.323 13.996 -8.147 1.00 0.00 C ATOM 199 CG ARG A 12 -0.814 13.001 -7.973 1.00 0.00 C ATOM 200 CD ARG A 12 -1.327 12.992 -6.579 1.00 0.00 C ATOM 201 NE ARG A 12 -2.004 14.234 -6.242 1.00 0.00 N ATOM 202 CZ ARG A 12 -2.538 14.512 -5.036 1.00 0.00 C ATOM 203 NH1 ARG A 12 -2.464 13.628 -4.066 1.00 0.00 N ATOM 204 NH2 ARG A 12 -3.135 15.672 -4.830 1.00 0.00 N ATOM 205 H ARG A 12 1.830 12.070 -8.847 1.00 0.00 H ATOM 206 HA ARG A 12 0.259 13.930 -10.279 1.00 0.00 H ATOM 207 1HB ARG A 12 1.048 13.809 -7.356 1.00 0.00 H ATOM 208 2HB ARG A 12 -0.085 14.994 -7.988 1.00 0.00 H ATOM 209 1HG ARG A 12 -1.635 13.267 -8.638 1.00 0.00 H ATOM 210 2HG ARG A 12 -0.460 11.998 -8.215 1.00 0.00 H ATOM 211 1HD ARG A 12 -2.035 12.173 -6.457 1.00 0.00 H ATOM 212 2HD ARG A 12 -0.496 12.859 -5.886 1.00 0.00 H ATOM 213 HE ARG A 12 -2.081 14.938 -6.964 1.00 0.00 H ATOM 214 1HH1 ARG A 12 -2.007 12.741 -4.224 1.00 0.00 H ATOM 215 2HH1 ARG A 12 -2.864 13.836 -3.162 1.00 0.00 H ATOM 216 1HH2 ARG A 12 -3.191 16.352 -5.576 1.00 0.00 H ATOM 217 2HH2 ARG A 12 -3.534 15.881 -3.927 1.00 0.00 H ATOM 218 N ARG A 13 3.063 15.172 -9.066 1.00 0.00 N ATOM 219 CA ARG A 13 3.957 16.322 -9.104 1.00 0.00 C ATOM 220 C ARG A 13 4.476 16.570 -10.515 1.00 0.00 C ATOM 221 O ARG A 13 4.916 17.673 -10.840 1.00 0.00 O ATOM 222 CB ARG A 13 5.135 16.116 -8.163 1.00 0.00 C ATOM 223 CG ARG A 13 4.792 16.185 -6.684 1.00 0.00 C ATOM 224 CD ARG A 13 5.993 15.991 -5.832 1.00 0.00 C ATOM 225 NE ARG A 13 5.661 16.003 -4.416 1.00 0.00 N ATOM 226 CZ ARG A 13 5.524 17.118 -3.672 1.00 0.00 C ATOM 227 NH1 ARG A 13 5.692 18.300 -4.223 1.00 0.00 N ATOM 228 NH2 ARG A 13 5.220 17.024 -2.390 1.00 0.00 N ATOM 229 H ARG A 13 3.349 14.343 -8.564 1.00 0.00 H ATOM 230 HA ARG A 13 3.404 17.202 -8.775 1.00 0.00 H ATOM 231 1HB ARG A 13 5.586 15.142 -8.352 1.00 0.00 H ATOM 232 2HB ARG A 13 5.896 16.872 -8.361 1.00 0.00 H ATOM 233 1HG ARG A 13 4.363 17.161 -6.455 1.00 0.00 H ATOM 234 2HG ARG A 13 4.069 15.405 -6.441 1.00 0.00 H ATOM 235 1HD ARG A 13 6.453 15.031 -6.065 1.00 0.00 H ATOM 236 2HD ARG A 13 6.707 16.791 -6.022 1.00 0.00 H ATOM 237 HE ARG A 13 5.524 15.112 -3.957 1.00 0.00 H ATOM 238 1HH1 ARG A 13 5.924 18.372 -5.203 1.00 0.00 H ATOM 239 2HH1 ARG A 13 5.589 19.136 -3.666 1.00 0.00 H ATOM 240 1HH2 ARG A 13 5.090 16.115 -1.967 1.00 0.00 H ATOM 241 2HH2 ARG A 13 5.117 17.859 -1.833 1.00 0.00 H ATOM 242 N LEU A 14 4.420 15.538 -11.350 1.00 0.00 N ATOM 243 CA LEU A 14 4.842 15.654 -12.741 1.00 0.00 C ATOM 244 C LEU A 14 3.853 16.485 -13.548 1.00 0.00 C ATOM 245 O LEU A 14 4.173 16.966 -14.635 1.00 0.00 O ATOM 246 CB LEU A 14 4.983 14.263 -13.370 1.00 0.00 C ATOM 247 CG LEU A 14 6.072 13.367 -12.767 1.00 0.00 C ATOM 248 CD1 LEU A 14 6.057 12.011 -13.460 1.00 0.00 C ATOM 249 CD2 LEU A 14 7.427 14.043 -12.919 1.00 0.00 C ATOM 250 H LEU A 14 4.078 14.650 -11.012 1.00 0.00 H ATOM 251 HA LEU A 14 5.811 16.151 -12.768 1.00 0.00 H ATOM 252 1HB LEU A 14 4.033 13.739 -13.273 1.00 0.00 H ATOM 253 2HB LEU A 14 5.201 14.382 -14.431 1.00 0.00 H ATOM 254 HG LEU A 14 5.865 13.204 -11.709 1.00 0.00 H ATOM 255 1HD1 LEU A 14 6.831 11.375 -13.031 1.00 0.00 H ATOM 256 2HD1 LEU A 14 5.083 11.542 -13.319 1.00 0.00 H ATOM 257 3HD1 LEU A 14 6.245 12.144 -14.524 1.00 0.00 H ATOM 258 1HD2 LEU A 14 8.202 13.407 -12.490 1.00 0.00 H ATOM 259 2HD2 LEU A 14 7.636 14.206 -13.977 1.00 0.00 H ATOM 260 3HD2 LEU A 14 7.415 15.002 -12.400 1.00 0.00 H ATOM 261 N GLY A 15 2.649 16.651 -13.010 1.00 0.00 N ATOM 262 CA GLY A 15 1.598 17.393 -13.697 1.00 0.00 C ATOM 263 C GLY A 15 0.366 16.526 -13.917 1.00 0.00 C ATOM 264 O GLY A 15 -0.298 16.624 -14.949 1.00 0.00 O ATOM 265 H GLY A 15 2.457 16.253 -12.102 1.00 0.00 H ATOM 266 1HA GLY A 15 1.330 18.271 -13.109 1.00 0.00 H ATOM 267 2HA GLY A 15 1.972 17.750 -14.655 1.00 0.00 H ATOM 268 N TYR A 16 0.064 15.677 -12.940 1.00 0.00 N ATOM 269 CA TYR A 16 -1.074 14.770 -13.038 1.00 0.00 C ATOM 270 C TYR A 16 -1.999 14.916 -11.836 1.00 0.00 C ATOM 271 O TYR A 16 -1.578 15.354 -10.766 1.00 0.00 O ATOM 272 CB TYR A 16 -0.595 13.322 -13.166 1.00 0.00 C ATOM 273 CG TYR A 16 0.136 13.034 -14.459 1.00 0.00 C ATOM 274 CD1 TYR A 16 1.459 13.422 -14.609 1.00 0.00 C ATOM 275 CD2 TYR A 16 -0.517 12.381 -15.494 1.00 0.00 C ATOM 276 CE1 TYR A 16 2.127 13.158 -15.789 1.00 0.00 C ATOM 277 CE2 TYR A 16 0.151 12.117 -16.674 1.00 0.00 C ATOM 278 CZ TYR A 16 1.467 12.503 -16.823 1.00 0.00 C ATOM 279 OH TYR A 16 2.132 12.241 -17.999 1.00 0.00 O ATOM 280 H TYR A 16 0.637 15.659 -12.109 1.00 0.00 H ATOM 281 HA TYR A 16 -1.647 15.028 -13.929 1.00 0.00 H ATOM 282 1HB TYR A 16 0.072 13.085 -12.337 1.00 0.00 H ATOM 283 2HB TYR A 16 -1.450 12.650 -13.102 1.00 0.00 H ATOM 284 HD1 TYR A 16 1.972 13.935 -13.795 1.00 0.00 H ATOM 285 HD2 TYR A 16 -1.557 12.077 -15.376 1.00 0.00 H ATOM 286 HE1 TYR A 16 3.166 13.463 -15.907 1.00 0.00 H ATOM 287 HE2 TYR A 16 -0.362 11.605 -17.488 1.00 0.00 H ATOM 288 HH TYR A 16 2.994 12.665 -17.979 1.00 0.00 H ATOM 289 N SER A 17 -3.262 14.546 -12.020 1.00 0.00 N ATOM 290 CA SER A 17 -4.203 14.456 -10.910 1.00 0.00 C ATOM 291 C SER A 17 -4.034 13.147 -10.150 1.00 0.00 C ATOM 292 O SER A 17 -3.412 12.207 -10.644 1.00 0.00 O ATOM 293 CB SER A 17 -5.626 14.574 -11.421 1.00 0.00 C ATOM 294 OG SER A 17 -5.985 13.446 -12.171 1.00 0.00 O ATOM 295 H SER A 17 -3.578 14.321 -12.953 1.00 0.00 H ATOM 296 HA SER A 17 -4.007 15.279 -10.222 1.00 0.00 H ATOM 297 1HB SER A 17 -6.307 14.686 -10.578 1.00 0.00 H ATOM 298 2HB SER A 17 -5.718 15.468 -12.037 1.00 0.00 H ATOM 299 HG SER A 17 -5.947 13.717 -13.092 1.00 0.00 H ATOM 300 N GLU A 18 -4.592 13.092 -8.945 1.00 0.00 N ATOM 301 CA GLU A 18 -4.553 11.880 -8.137 1.00 0.00 C ATOM 302 C GLU A 18 -5.179 10.704 -8.876 1.00 0.00 C ATOM 303 O GLU A 18 -4.601 9.619 -8.940 1.00 0.00 O ATOM 304 CB GLU A 18 -5.276 12.101 -6.806 1.00 0.00 C ATOM 305 CG GLU A 18 -5.253 10.901 -5.871 1.00 0.00 C ATOM 306 CD GLU A 18 -5.965 11.158 -4.572 1.00 0.00 C ATOM 307 OE1 GLU A 18 -6.353 12.278 -4.341 1.00 0.00 O ATOM 308 OE2 GLU A 18 -6.121 10.234 -3.810 1.00 0.00 O ATOM 309 H GLU A 18 -5.054 13.912 -8.579 1.00 0.00 H ATOM 310 HA GLU A 18 -3.511 11.641 -7.920 1.00 0.00 H ATOM 311 1HB GLU A 18 -4.823 12.943 -6.282 1.00 0.00 H ATOM 312 2HB GLU A 18 -6.318 12.357 -6.997 1.00 0.00 H ATOM 313 1HG GLU A 18 -5.726 10.056 -6.369 1.00 0.00 H ATOM 314 2HG GLU A 18 -4.218 10.634 -5.665 1.00 0.00 H ATOM 315 N GLU A 19 -6.364 10.927 -9.435 1.00 0.00 N ATOM 316 CA GLU A 19 -7.051 9.900 -10.210 1.00 0.00 C ATOM 317 C GLU A 19 -6.165 9.371 -11.330 1.00 0.00 C ATOM 318 O GLU A 19 -5.984 8.162 -11.472 1.00 0.00 O ATOM 319 CB GLU A 19 -8.352 10.455 -10.794 1.00 0.00 C ATOM 320 CG GLU A 19 -9.144 9.455 -11.624 1.00 0.00 C ATOM 321 CD GLU A 19 -10.412 10.035 -12.186 1.00 0.00 C ATOM 322 OE1 GLU A 19 -10.786 11.107 -11.774 1.00 0.00 O ATOM 323 OE2 GLU A 19 -11.008 9.405 -13.027 1.00 0.00 O ATOM 324 H GLU A 19 -6.800 11.831 -9.320 1.00 0.00 H ATOM 325 HA GLU A 19 -7.303 9.075 -9.543 1.00 0.00 H ATOM 326 1HB GLU A 19 -8.995 10.802 -9.985 1.00 0.00 H ATOM 327 2HB GLU A 19 -8.130 11.313 -11.427 1.00 0.00 H ATOM 328 1HG GLU A 19 -8.521 9.107 -12.448 1.00 0.00 H ATOM 329 2HG GLU A 19 -9.388 8.595 -11.002 1.00 0.00 H ATOM 330 N GLU A 20 -5.614 10.283 -12.123 1.00 0.00 N ATOM 331 CA GLU A 20 -4.761 9.909 -13.245 1.00 0.00 C ATOM 332 C GLU A 20 -3.565 9.091 -12.778 1.00 0.00 C ATOM 333 O GLU A 20 -3.219 8.076 -13.384 1.00 0.00 O ATOM 334 CB GLU A 20 -4.279 11.157 -13.988 1.00 0.00 C ATOM 335 CG GLU A 20 -5.348 11.839 -14.830 1.00 0.00 C ATOM 336 CD GLU A 20 -4.896 13.158 -15.393 1.00 0.00 C ATOM 337 OE1 GLU A 20 -4.122 13.824 -14.747 1.00 0.00 O ATOM 338 OE2 GLU A 20 -5.324 13.500 -16.470 1.00 0.00 O ATOM 339 H GLU A 20 -5.791 11.262 -11.945 1.00 0.00 H ATOM 340 HA GLU A 20 -5.347 9.306 -13.939 1.00 0.00 H ATOM 341 1HB GLU A 20 -3.903 11.885 -13.270 1.00 0.00 H ATOM 342 2HB GLU A 20 -3.453 10.891 -14.648 1.00 0.00 H ATOM 343 1HG GLU A 20 -5.622 11.181 -15.654 1.00 0.00 H ATOM 344 2HG GLU A 20 -6.234 11.996 -14.216 1.00 0.00 H ATOM 345 N ALA A 21 -2.935 9.537 -11.696 1.00 0.00 N ATOM 346 CA ALA A 21 -1.763 8.858 -11.157 1.00 0.00 C ATOM 347 C ALA A 21 -2.103 7.443 -10.709 1.00 0.00 C ATOM 348 O ALA A 21 -1.321 6.513 -10.907 1.00 0.00 O ATOM 349 CB ALA A 21 -1.176 9.653 -9.999 1.00 0.00 C ATOM 350 H ALA A 21 -3.277 10.368 -11.236 1.00 0.00 H ATOM 351 HA ALA A 21 -1.004 8.805 -11.939 1.00 0.00 H ATOM 352 1HB ALA A 21 -0.301 9.133 -9.608 1.00 0.00 H ATOM 353 2HB ALA A 21 -0.883 10.643 -10.349 1.00 0.00 H ATOM 354 3HB ALA A 21 -1.921 9.752 -9.212 1.00 0.00 H ATOM 355 N ARG A 22 -3.275 7.285 -10.104 1.00 0.00 N ATOM 356 CA ARG A 22 -3.721 5.982 -9.625 1.00 0.00 C ATOM 357 C ARG A 22 -4.094 5.068 -10.784 1.00 0.00 C ATOM 358 O ARG A 22 -3.885 3.856 -10.724 1.00 0.00 O ATOM 359 CB ARG A 22 -4.918 6.134 -8.697 1.00 0.00 C ATOM 360 CG ARG A 22 -4.601 6.739 -7.339 1.00 0.00 C ATOM 361 CD ARG A 22 -5.783 6.720 -6.439 1.00 0.00 C ATOM 362 NE ARG A 22 -5.523 7.411 -5.187 1.00 0.00 N ATOM 363 CZ ARG A 22 -4.801 6.905 -4.169 1.00 0.00 C ATOM 364 NH1 ARG A 22 -4.275 5.704 -4.270 1.00 0.00 N ATOM 365 NH2 ARG A 22 -4.622 7.614 -3.068 1.00 0.00 N ATOM 366 H ARG A 22 -3.873 8.089 -9.972 1.00 0.00 H ATOM 367 HA ARG A 22 -2.907 5.522 -9.064 1.00 0.00 H ATOM 368 1HB ARG A 22 -5.668 6.764 -9.172 1.00 0.00 H ATOM 369 2HB ARG A 22 -5.371 5.157 -8.525 1.00 0.00 H ATOM 370 1HG ARG A 22 -3.800 6.171 -6.865 1.00 0.00 H ATOM 371 2HG ARG A 22 -4.284 7.775 -7.467 1.00 0.00 H ATOM 372 1HD ARG A 22 -6.623 7.210 -6.932 1.00 0.00 H ATOM 373 2HD ARG A 22 -6.049 5.689 -6.210 1.00 0.00 H ATOM 374 HE ARG A 22 -5.912 8.338 -5.072 1.00 0.00 H ATOM 375 1HH1 ARG A 22 -4.412 5.162 -5.111 1.00 0.00 H ATOM 376 2HH1 ARG A 22 -3.734 5.324 -3.506 1.00 0.00 H ATOM 377 1HH2 ARG A 22 -5.026 8.538 -2.991 1.00 0.00 H ATOM 378 2HH2 ARG A 22 -4.081 7.235 -2.306 1.00 0.00 H ATOM 379 N ARG A 23 -4.648 5.655 -11.840 1.00 0.00 N ATOM 380 CA ARG A 23 -4.937 4.916 -13.063 1.00 0.00 C ATOM 381 C ARG A 23 -3.656 4.431 -13.730 1.00 0.00 C ATOM 382 O ARG A 23 -3.603 3.321 -14.260 1.00 0.00 O ATOM 383 CB ARG A 23 -5.717 5.783 -14.041 1.00 0.00 C ATOM 384 CG ARG A 23 -7.173 6.015 -13.669 1.00 0.00 C ATOM 385 CD ARG A 23 -7.881 6.817 -14.699 1.00 0.00 C ATOM 386 NE ARG A 23 -9.260 7.086 -14.324 1.00 0.00 N ATOM 387 CZ ARG A 23 -10.284 6.228 -14.505 1.00 0.00 C ATOM 388 NH1 ARG A 23 -10.068 5.055 -15.057 1.00 0.00 N ATOM 389 NH2 ARG A 23 -11.504 6.567 -14.129 1.00 0.00 N ATOM 390 H ARG A 23 -4.874 6.638 -11.794 1.00 0.00 H ATOM 391 HA ARG A 23 -5.548 4.049 -12.808 1.00 0.00 H ATOM 392 1HB ARG A 23 -5.239 6.758 -14.123 1.00 0.00 H ATOM 393 2HB ARG A 23 -5.697 5.325 -15.029 1.00 0.00 H ATOM 394 1HG ARG A 23 -7.681 5.055 -13.573 1.00 0.00 H ATOM 395 2HG ARG A 23 -7.226 6.550 -12.721 1.00 0.00 H ATOM 396 1HD ARG A 23 -7.372 7.771 -14.832 1.00 0.00 H ATOM 397 2HD ARG A 23 -7.885 6.274 -15.644 1.00 0.00 H ATOM 398 HE ARG A 23 -9.465 7.979 -13.896 1.00 0.00 H ATOM 399 1HH1 ARG A 23 -9.135 4.796 -15.345 1.00 0.00 H ATOM 400 2HH1 ARG A 23 -10.835 4.412 -15.193 1.00 0.00 H ATOM 401 1HH2 ARG A 23 -11.670 7.470 -13.705 1.00 0.00 H ATOM 402 2HH2 ARG A 23 -12.271 5.925 -14.265 1.00 0.00 H ATOM 403 N ILE A 24 -2.625 5.269 -13.698 1.00 0.00 N ATOM 404 CA ILE A 24 -1.317 4.893 -14.221 1.00 0.00 C ATOM 405 C ILE A 24 -0.729 3.721 -13.444 1.00 0.00 C ATOM 406 O ILE A 24 -0.186 2.786 -14.031 1.00 0.00 O ATOM 407 CB ILE A 24 -0.342 6.084 -14.169 1.00 0.00 C ATOM 408 CG1 ILE A 24 -0.746 7.148 -15.193 1.00 0.00 C ATOM 409 CG2 ILE A 24 1.083 5.616 -14.417 1.00 0.00 C ATOM 410 CD1 ILE A 24 -0.041 8.473 -15.007 1.00 0.00 C ATOM 411 H ILE A 24 -2.751 6.189 -13.303 1.00 0.00 H ATOM 412 HA ILE A 24 -1.432 4.598 -15.264 1.00 0.00 H ATOM 413 HB ILE A 24 -0.395 6.555 -13.188 1.00 0.00 H ATOM 414 1HG1 ILE A 24 -0.531 6.786 -16.198 1.00 0.00 H ATOM 415 2HG1 ILE A 24 -1.820 7.323 -15.132 1.00 0.00 H ATOM 416 1HG2 ILE A 24 1.759 6.470 -14.378 1.00 0.00 H ATOM 417 2HG2 ILE A 24 1.367 4.894 -13.652 1.00 0.00 H ATOM 418 3HG2 ILE A 24 1.147 5.147 -15.399 1.00 0.00 H ATOM 419 1HD1 ILE A 24 -0.379 9.175 -15.769 1.00 0.00 H ATOM 420 2HD1 ILE A 24 -0.271 8.871 -14.018 1.00 0.00 H ATOM 421 3HD1 ILE A 24 1.034 8.328 -15.099 1.00 0.00 H ATOM 422 N LEU A 25 -0.842 3.779 -12.122 1.00 0.00 N ATOM 423 CA LEU A 25 -0.416 2.676 -11.268 1.00 0.00 C ATOM 424 C LEU A 25 -1.122 1.381 -11.646 1.00 0.00 C ATOM 425 O LEU A 25 -0.501 0.321 -11.714 1.00 0.00 O ATOM 426 CB LEU A 25 -0.695 3.007 -9.796 1.00 0.00 C ATOM 427 CG LEU A 25 -0.287 1.930 -8.783 1.00 0.00 C ATOM 428 CD1 LEU A 25 1.216 1.703 -8.860 1.00 0.00 C ATOM 429 CD2 LEU A 25 -0.705 2.363 -7.386 1.00 0.00 C ATOM 430 H LEU A 25 -1.234 4.607 -11.697 1.00 0.00 H ATOM 431 HA LEU A 25 0.659 2.538 -11.392 1.00 0.00 H ATOM 432 1HB LEU A 25 -0.163 3.922 -9.539 1.00 0.00 H ATOM 433 2HB LEU A 25 -1.763 3.187 -9.677 1.00 0.00 H ATOM 434 HG LEU A 25 -0.780 0.990 -9.034 1.00 0.00 H ATOM 435 1HD1 LEU A 25 1.506 0.937 -8.140 1.00 0.00 H ATOM 436 2HD1 LEU A 25 1.484 1.375 -9.864 1.00 0.00 H ATOM 437 3HD1 LEU A 25 1.736 2.632 -8.629 1.00 0.00 H ATOM 438 1HD2 LEU A 25 -0.416 1.596 -6.666 1.00 0.00 H ATOM 439 2HD2 LEU A 25 -0.212 3.302 -7.133 1.00 0.00 H ATOM 440 3HD2 LEU A 25 -1.786 2.500 -7.355 1.00 0.00 H ATOM 441 N LYS A 26 -2.425 1.474 -11.893 1.00 0.00 N ATOM 442 CA LYS A 26 -3.202 0.327 -12.348 1.00 0.00 C ATOM 443 C LYS A 26 -2.685 -0.194 -13.683 1.00 0.00 C ATOM 444 O LYS A 26 -2.580 -1.403 -13.889 1.00 0.00 O ATOM 445 CB LYS A 26 -4.682 0.695 -12.464 1.00 0.00 C ATOM 446 CG LYS A 26 -5.387 0.897 -11.130 1.00 0.00 C ATOM 447 CD LYS A 26 -6.836 1.316 -11.328 1.00 0.00 C ATOM 448 CE LYS A 26 -7.536 1.541 -9.996 1.00 0.00 C ATOM 449 NZ LYS A 26 -8.948 1.973 -10.175 1.00 0.00 N ATOM 450 H LYS A 26 -2.888 2.361 -11.761 1.00 0.00 H ATOM 451 HA LYS A 26 -3.115 -0.467 -11.605 1.00 0.00 H ATOM 452 1HB LYS A 26 -4.783 1.616 -13.039 1.00 0.00 H ATOM 453 2HB LYS A 26 -5.210 -0.089 -13.007 1.00 0.00 H ATOM 454 1HG LYS A 26 -5.361 -0.033 -10.560 1.00 0.00 H ATOM 455 2HG LYS A 26 -4.870 1.667 -10.558 1.00 0.00 H ATOM 456 1HD LYS A 26 -6.872 2.239 -11.909 1.00 0.00 H ATOM 457 2HD LYS A 26 -7.367 0.540 -11.880 1.00 0.00 H ATOM 458 1HE LYS A 26 -7.521 0.618 -9.417 1.00 0.00 H ATOM 459 2HE LYS A 26 -7.004 2.306 -9.430 1.00 0.00 H ATOM 460 1HZ LYS A 26 -9.376 2.111 -9.270 1.00 0.00 H ATOM 461 2HZ LYS A 26 -8.973 2.839 -10.694 1.00 0.00 H ATOM 462 3HZ LYS A 26 -9.457 1.262 -10.681 1.00 0.00 H ATOM 463 N LYS A 27 -2.363 0.726 -14.586 1.00 0.00 N ATOM 464 CA LYS A 27 -1.767 0.365 -15.867 1.00 0.00 C ATOM 465 C LYS A 27 -0.402 -0.284 -15.676 1.00 0.00 C ATOM 466 O LYS A 27 0.034 -1.088 -16.499 1.00 0.00 O ATOM 467 CB LYS A 27 -1.642 1.597 -16.765 1.00 0.00 C ATOM 468 CG LYS A 27 -2.969 2.131 -17.288 1.00 0.00 C ATOM 469 CD LYS A 27 -2.770 3.392 -18.116 1.00 0.00 C ATOM 470 CE LYS A 27 -4.096 3.937 -18.624 1.00 0.00 C ATOM 471 NZ LYS A 27 -3.919 5.185 -19.415 1.00 0.00 N ATOM 472 H LYS A 27 -2.536 1.699 -14.380 1.00 0.00 H ATOM 473 HA LYS A 27 -2.425 -0.345 -16.367 1.00 0.00 H ATOM 474 1HB LYS A 27 -1.152 2.401 -16.215 1.00 0.00 H ATOM 475 2HB LYS A 27 -1.015 1.359 -17.625 1.00 0.00 H ATOM 476 1HG LYS A 27 -3.448 1.372 -17.908 1.00 0.00 H ATOM 477 2HG LYS A 27 -3.626 2.357 -16.449 1.00 0.00 H ATOM 478 1HD LYS A 27 -2.282 4.154 -17.506 1.00 0.00 H ATOM 479 2HD LYS A 27 -2.129 3.170 -18.969 1.00 0.00 H ATOM 480 1HE LYS A 27 -4.580 3.190 -19.251 1.00 0.00 H ATOM 481 2HE LYS A 27 -4.751 4.148 -17.778 1.00 0.00 H ATOM 482 1HZ LYS A 27 -4.820 5.514 -19.733 1.00 0.00 H ATOM 483 2HZ LYS A 27 -3.487 5.892 -18.837 1.00 0.00 H ATOM 484 3HZ LYS A 27 -3.329 4.997 -20.213 1.00 0.00 H ATOM 485 N ALA A 28 0.269 0.071 -14.585 1.00 0.00 N ATOM 486 CA ALA A 28 1.563 -0.515 -14.258 1.00 0.00 C ATOM 487 C ALA A 28 1.400 -1.856 -13.555 1.00 0.00 C ATOM 488 O ALA A 28 2.381 -2.478 -13.147 1.00 0.00 O ATOM 489 CB ALA A 28 2.373 0.441 -13.393 1.00 0.00 C ATOM 490 H ALA A 28 -0.129 0.763 -13.966 1.00 0.00 H ATOM 491 HA ALA A 28 2.113 -0.677 -15.184 1.00 0.00 H ATOM 492 1HB ALA A 28 3.337 -0.010 -13.157 1.00 0.00 H ATOM 493 2HB ALA A 28 2.532 1.374 -13.933 1.00 0.00 H ATOM 494 3HB ALA A 28 1.832 0.643 -12.470 1.00 0.00 H ATOM 495 N ASN A 29 0.155 -2.297 -13.415 1.00 0.00 N ATOM 496 CA ASN A 29 -0.139 -3.570 -12.767 1.00 0.00 C ATOM 497 C ASN A 29 0.347 -3.578 -11.323 1.00 0.00 C ATOM 498 O ASN A 29 0.771 -4.612 -10.807 1.00 0.00 O ATOM 499 CB ASN A 29 0.475 -4.719 -13.544 1.00 0.00 C ATOM 500 CG ASN A 29 -0.064 -4.825 -14.944 1.00 0.00 C ATOM 501 OD1 ASN A 29 -1.276 -4.719 -15.165 1.00 0.00 O ATOM 502 ND2 ASN A 29 0.813 -5.030 -15.893 1.00 0.00 N ATOM 503 H ASN A 29 -0.608 -1.737 -13.767 1.00 0.00 H ATOM 504 HA ASN A 29 -1.222 -3.705 -12.744 1.00 0.00 H ATOM 505 1HB ASN A 29 1.557 -4.589 -13.593 1.00 0.00 H ATOM 506 2HB ASN A 29 0.282 -5.656 -13.021 1.00 0.00 H ATOM 507 1HD2 ASN A 29 0.511 -5.109 -16.844 1.00 0.00 H ATOM 508 2HD2 ASN A 29 1.783 -5.109 -15.669 1.00 0.00 H ATOM 509 N GLY A 30 0.283 -2.419 -10.676 1.00 0.00 N ATOM 510 CA GLY A 30 0.609 -2.314 -9.259 1.00 0.00 C ATOM 511 C GLY A 30 2.075 -1.951 -9.057 1.00 0.00 C ATOM 512 O GLY A 30 2.506 -1.666 -7.940 1.00 0.00 O ATOM 513 H GLY A 30 0.001 -1.590 -11.179 1.00 0.00 H ATOM 514 1HA GLY A 30 -0.024 -1.557 -8.795 1.00 0.00 H ATOM 515 2HA GLY A 30 0.394 -3.260 -8.765 1.00 0.00 H ATOM 516 N ASN A 31 2.838 -1.965 -10.145 1.00 0.00 N ATOM 517 CA ASN A 31 4.257 -1.633 -10.090 1.00 0.00 C ATOM 518 C ASN A 31 4.467 -0.127 -9.999 1.00 0.00 C ATOM 519 O ASN A 31 4.135 0.614 -10.925 1.00 0.00 O ATOM 520 CB ASN A 31 4.985 -2.201 -11.294 1.00 0.00 C ATOM 521 CG ASN A 31 6.477 -2.045 -11.193 1.00 0.00 C ATOM 522 OD1 ASN A 31 6.977 -1.000 -10.761 1.00 0.00 O ATOM 523 ND2 ASN A 31 7.199 -3.064 -11.584 1.00 0.00 N ATOM 524 H ASN A 31 2.425 -2.211 -11.033 1.00 0.00 H ATOM 525 HA ASN A 31 4.685 -2.091 -9.198 1.00 0.00 H ATOM 526 1HB ASN A 31 4.749 -3.261 -11.395 1.00 0.00 H ATOM 527 2HB ASN A 31 4.640 -1.701 -12.198 1.00 0.00 H ATOM 528 1HD2 ASN A 31 8.197 -3.017 -11.539 1.00 0.00 H ATOM 529 2HD2 ASN A 31 6.753 -3.890 -11.927 1.00 0.00 H ATOM 530 N PRO A 32 5.019 0.321 -8.876 1.00 0.00 N ATOM 531 CA PRO A 32 5.105 1.746 -8.580 1.00 0.00 C ATOM 532 C PRO A 32 6.224 2.408 -9.374 1.00 0.00 C ATOM 533 O PRO A 32 6.233 3.625 -9.558 1.00 0.00 O ATOM 534 CB PRO A 32 5.390 1.769 -7.075 1.00 0.00 C ATOM 535 CG PRO A 32 6.091 0.480 -6.816 1.00 0.00 C ATOM 536 CD PRO A 32 5.397 -0.510 -7.713 1.00 0.00 C ATOM 537 HA PRO A 32 4.159 2.214 -8.854 1.00 0.00 H ATOM 538 1HB PRO A 32 6.004 2.647 -6.822 1.00 0.00 H ATOM 539 2HB PRO A 32 4.448 1.863 -6.515 1.00 0.00 H ATOM 540 1HG PRO A 32 7.163 0.578 -7.043 1.00 0.00 H ATOM 541 2HG PRO A 32 6.015 0.213 -5.752 1.00 0.00 H ATOM 542 1HD PRO A 32 6.102 -1.307 -7.996 1.00 0.00 H ATOM 543 2HD PRO A 32 4.525 -0.931 -7.191 1.00 0.00 H ATOM 544 N ASP A 33 7.168 1.598 -9.844 1.00 0.00 N ATOM 545 CA ASP A 33 8.324 2.109 -10.571 1.00 0.00 C ATOM 546 C ASP A 33 8.052 2.165 -12.068 1.00 0.00 C ATOM 547 O ASP A 33 8.506 3.079 -12.758 1.00 0.00 O ATOM 548 CB ASP A 33 9.554 1.240 -10.301 1.00 0.00 C ATOM 549 CG ASP A 33 10.026 1.312 -8.855 1.00 0.00 C ATOM 550 OD1 ASP A 33 10.090 2.396 -8.325 1.00 0.00 O ATOM 551 OD2 ASP A 33 10.318 0.283 -8.294 1.00 0.00 O ATOM 552 H ASP A 33 7.082 0.603 -9.693 1.00 0.00 H ATOM 553 HA ASP A 33 8.537 3.118 -10.216 1.00 0.00 H ATOM 554 1HB ASP A 33 9.326 0.201 -10.542 1.00 0.00 H ATOM 555 2HB ASP A 33 10.372 1.554 -10.951 1.00 0.00 H ATOM 556 N LEU A 34 7.310 1.183 -12.567 1.00 0.00 N ATOM 557 CA LEU A 34 6.768 1.242 -13.919 1.00 0.00 C ATOM 558 C LEU A 34 5.747 2.364 -14.055 1.00 0.00 C ATOM 559 O LEU A 34 5.689 3.043 -15.080 1.00 0.00 O ATOM 560 CB LEU A 34 6.118 -0.097 -14.289 1.00 0.00 C ATOM 561 CG LEU A 34 5.484 -0.166 -15.685 1.00 0.00 C ATOM 562 CD1 LEU A 34 6.541 0.138 -16.738 1.00 0.00 C ATOM 563 CD2 LEU A 34 4.879 -1.545 -15.900 1.00 0.00 C ATOM 564 H LEU A 34 7.115 0.374 -11.994 1.00 0.00 H ATOM 565 HA LEU A 34 7.589 1.430 -14.613 1.00 0.00 H ATOM 566 1HB LEU A 34 6.874 -0.878 -14.230 1.00 0.00 H ATOM 567 2HB LEU A 34 5.338 -0.318 -13.560 1.00 0.00 H ATOM 568 HG LEU A 34 4.704 0.591 -15.768 1.00 0.00 H ATOM 569 1HD1 LEU A 34 6.091 0.089 -17.730 1.00 0.00 H ATOM 570 2HD1 LEU A 34 6.943 1.137 -16.572 1.00 0.00 H ATOM 571 3HD1 LEU A 34 7.345 -0.594 -16.669 1.00 0.00 H ATOM 572 1HD2 LEU A 34 4.428 -1.594 -16.892 1.00 0.00 H ATOM 573 2HD2 LEU A 34 5.659 -2.302 -15.818 1.00 0.00 H ATOM 574 3HD2 LEU A 34 4.115 -1.729 -15.144 1.00 0.00 H ATOM 575 N ALA A 35 4.942 2.554 -13.015 1.00 0.00 N ATOM 576 CA ALA A 35 3.986 3.654 -12.976 1.00 0.00 C ATOM 577 C ALA A 35 4.667 4.986 -13.262 1.00 0.00 C ATOM 578 O ALA A 35 4.191 5.775 -14.079 1.00 0.00 O ATOM 579 CB ALA A 35 3.283 3.698 -11.628 1.00 0.00 C ATOM 580 H ALA A 35 4.995 1.920 -12.230 1.00 0.00 H ATOM 581 HA ALA A 35 3.226 3.479 -13.739 1.00 0.00 H ATOM 582 1HB ALA A 35 2.572 4.524 -11.615 1.00 0.00 H ATOM 583 2HB ALA A 35 2.752 2.760 -11.463 1.00 0.00 H ATOM 584 3HB ALA A 35 4.019 3.841 -10.838 1.00 0.00 H ATOM 585 N LYS A 36 5.783 5.231 -12.585 1.00 0.00 N ATOM 586 CA LYS A 36 6.576 6.432 -12.823 1.00 0.00 C ATOM 587 C LYS A 36 7.015 6.523 -14.279 1.00 0.00 C ATOM 588 O LYS A 36 6.902 7.575 -14.907 1.00 0.00 O ATOM 589 CB LYS A 36 7.797 6.459 -11.903 1.00 0.00 C ATOM 590 CG LYS A 36 7.473 6.690 -10.433 1.00 0.00 C ATOM 591 CD LYS A 36 8.736 6.715 -9.585 1.00 0.00 C ATOM 592 CE LYS A 36 8.412 6.934 -8.115 1.00 0.00 C ATOM 593 NZ LYS A 36 9.637 6.938 -7.270 1.00 0.00 N ATOM 594 H LYS A 36 6.091 4.569 -11.887 1.00 0.00 H ATOM 595 HA LYS A 36 5.963 7.303 -12.588 1.00 0.00 H ATOM 596 1HB LYS A 36 8.333 5.513 -11.982 1.00 0.00 H ATOM 597 2HB LYS A 36 8.477 7.248 -12.224 1.00 0.00 H ATOM 598 1HG LYS A 36 6.951 7.642 -10.321 1.00 0.00 H ATOM 599 2HG LYS A 36 6.820 5.895 -10.075 1.00 0.00 H ATOM 600 1HD LYS A 36 9.267 5.769 -9.695 1.00 0.00 H ATOM 601 2HD LYS A 36 9.388 7.519 -9.927 1.00 0.00 H ATOM 602 1HE LYS A 36 7.899 7.887 -7.993 1.00 0.00 H ATOM 603 2HE LYS A 36 7.749 6.143 -7.766 1.00 0.00 H ATOM 604 1HZ LYS A 36 9.380 7.085 -6.304 1.00 0.00 H ATOM 605 2HZ LYS A 36 10.112 6.051 -7.360 1.00 0.00 H ATOM 606 3HZ LYS A 36 10.252 7.681 -7.571 1.00 0.00 H ATOM 607 N GLU A 37 7.516 5.413 -14.811 1.00 0.00 N ATOM 608 CA GLU A 37 7.940 5.355 -16.204 1.00 0.00 C ATOM 609 C GLU A 37 6.799 5.726 -17.143 1.00 0.00 C ATOM 610 O GLU A 37 6.965 6.552 -18.041 1.00 0.00 O ATOM 611 CB GLU A 37 8.460 3.957 -16.546 1.00 0.00 C ATOM 612 CG GLU A 37 8.907 3.788 -17.991 1.00 0.00 C ATOM 613 CD GLU A 37 9.390 2.398 -18.296 1.00 0.00 C ATOM 614 OE1 GLU A 37 9.730 1.693 -17.376 1.00 0.00 O ATOM 615 OE2 GLU A 37 9.419 2.040 -19.450 1.00 0.00 O ATOM 616 H GLU A 37 7.605 4.588 -14.235 1.00 0.00 H ATOM 617 HA GLU A 37 8.756 6.065 -16.348 1.00 0.00 H ATOM 618 1HB GLU A 37 9.307 3.717 -15.904 1.00 0.00 H ATOM 619 2HB GLU A 37 7.681 3.221 -16.349 1.00 0.00 H ATOM 620 1HG GLU A 37 8.071 4.022 -18.649 1.00 0.00 H ATOM 621 2HG GLU A 37 9.706 4.499 -18.199 1.00 0.00 H ATOM 622 N ILE A 38 5.641 5.111 -16.931 1.00 0.00 N ATOM 623 CA ILE A 38 4.480 5.348 -17.781 1.00 0.00 C ATOM 624 C ILE A 38 4.100 6.823 -17.795 1.00 0.00 C ATOM 625 O ILE A 38 3.847 7.399 -18.853 1.00 0.00 O ATOM 626 CB ILE A 38 3.276 4.512 -17.312 1.00 0.00 C ATOM 627 CG1 ILE A 38 3.532 3.023 -17.558 1.00 0.00 C ATOM 628 CG2 ILE A 38 2.007 4.961 -18.021 1.00 0.00 C ATOM 629 CD1 ILE A 38 2.539 2.111 -16.874 1.00 0.00 C ATOM 630 H ILE A 38 5.562 4.463 -16.160 1.00 0.00 H ATOM 631 HA ILE A 38 4.727 5.041 -18.797 1.00 0.00 H ATOM 632 HB ILE A 38 3.143 4.635 -16.237 1.00 0.00 H ATOM 633 1HG1 ILE A 38 3.501 2.820 -18.628 1.00 0.00 H ATOM 634 2HG1 ILE A 38 4.530 2.762 -17.206 1.00 0.00 H ATOM 635 1HG2 ILE A 38 1.166 4.359 -17.678 1.00 0.00 H ATOM 636 2HG2 ILE A 38 1.818 6.010 -17.796 1.00 0.00 H ATOM 637 3HG2 ILE A 38 2.128 4.837 -19.097 1.00 0.00 H ATOM 638 1HD1 ILE A 38 2.786 1.072 -17.095 1.00 0.00 H ATOM 639 2HD1 ILE A 38 2.579 2.272 -15.796 1.00 0.00 H ATOM 640 3HD1 ILE A 38 1.535 2.329 -17.237 1.00 0.00 H ATOM 641 N ALA A 39 4.061 7.431 -16.614 1.00 0.00 N ATOM 642 CA ALA A 39 3.744 8.848 -16.491 1.00 0.00 C ATOM 643 C ALA A 39 4.695 9.700 -17.322 1.00 0.00 C ATOM 644 O ALA A 39 4.278 10.655 -17.976 1.00 0.00 O ATOM 645 CB ALA A 39 3.789 9.277 -15.032 1.00 0.00 C ATOM 646 H ALA A 39 4.257 6.896 -15.779 1.00 0.00 H ATOM 647 HA ALA A 39 2.727 9.008 -16.851 1.00 0.00 H ATOM 648 1HB ALA A 39 3.550 10.338 -14.956 1.00 0.00 H ATOM 649 2HB ALA A 39 3.062 8.700 -14.460 1.00 0.00 H ATOM 650 3HB ALA A 39 4.786 9.101 -14.632 1.00 0.00 H ATOM 651 N ARG A 40 5.976 9.347 -17.293 1.00 0.00 N ATOM 652 CA ARG A 40 6.987 10.069 -18.056 1.00 0.00 C ATOM 653 C ARG A 40 6.786 9.880 -19.554 1.00 0.00 C ATOM 654 O ARG A 40 7.014 10.798 -20.342 1.00 0.00 O ATOM 655 CB ARG A 40 8.383 9.602 -17.671 1.00 0.00 C ATOM 656 CG ARG A 40 8.832 10.010 -16.277 1.00 0.00 C ATOM 657 CD ARG A 40 10.135 9.393 -15.918 1.00 0.00 C ATOM 658 NE ARG A 40 10.575 9.790 -14.590 1.00 0.00 N ATOM 659 CZ ARG A 40 11.550 9.177 -13.892 1.00 0.00 C ATOM 660 NH1 ARG A 40 12.176 8.142 -14.407 1.00 0.00 N ATOM 661 NH2 ARG A 40 11.878 9.615 -12.688 1.00 0.00 N ATOM 662 H ARG A 40 6.256 8.558 -16.728 1.00 0.00 H ATOM 663 HA ARG A 40 6.903 11.131 -17.824 1.00 0.00 H ATOM 664 1HB ARG A 40 8.431 8.515 -17.728 1.00 0.00 H ATOM 665 2HB ARG A 40 9.108 10.000 -18.381 1.00 0.00 H ATOM 666 1HG ARG A 40 8.942 11.093 -16.232 1.00 0.00 H ATOM 667 2HG ARG A 40 8.088 9.690 -15.547 1.00 0.00 H ATOM 668 1HD ARG A 40 10.041 8.308 -15.935 1.00 0.00 H ATOM 669 2HD ARG A 40 10.894 9.703 -16.635 1.00 0.00 H ATOM 670 HE ARG A 40 10.117 10.583 -14.160 1.00 0.00 H ATOM 671 1HH1 ARG A 40 11.926 7.807 -15.327 1.00 0.00 H ATOM 672 2HH1 ARG A 40 12.907 7.682 -13.884 1.00 0.00 H ATOM 673 1HH2 ARG A 40 11.396 10.411 -12.292 1.00 0.00 H ATOM 674 2HH2 ARG A 40 12.608 9.155 -12.165 1.00 0.00 H ATOM 675 N ARG A 41 6.359 8.683 -19.942 1.00 0.00 N ATOM 676 CA ARG A 41 6.084 8.384 -21.342 1.00 0.00 C ATOM 677 C ARG A 41 4.867 9.153 -21.841 1.00 0.00 C ATOM 678 O ARG A 41 4.816 9.571 -22.998 1.00 0.00 O ATOM 679 CB ARG A 41 5.852 6.893 -21.536 1.00 0.00 C ATOM 680 CG ARG A 41 7.101 6.032 -21.425 1.00 0.00 C ATOM 681 CD ARG A 41 6.805 4.600 -21.685 1.00 0.00 C ATOM 682 NE ARG A 41 7.992 3.769 -21.560 1.00 0.00 N ATOM 683 CZ ARG A 41 8.901 3.582 -22.537 1.00 0.00 C ATOM 684 NH1 ARG A 41 8.746 4.172 -23.701 1.00 0.00 N ATOM 685 NH2 ARG A 41 9.950 2.806 -22.323 1.00 0.00 N ATOM 686 H ARG A 41 6.220 7.961 -19.249 1.00 0.00 H ATOM 687 HA ARG A 41 6.951 8.678 -21.935 1.00 0.00 H ATOM 688 1HB ARG A 41 5.139 6.536 -20.794 1.00 0.00 H ATOM 689 2HB ARG A 41 5.417 6.717 -22.520 1.00 0.00 H ATOM 690 1HG ARG A 41 7.840 6.367 -22.153 1.00 0.00 H ATOM 691 2HG ARG A 41 7.515 6.120 -20.420 1.00 0.00 H ATOM 692 1HD ARG A 41 6.064 4.245 -20.969 1.00 0.00 H ATOM 693 2HD ARG A 41 6.415 4.487 -22.696 1.00 0.00 H ATOM 694 HE ARG A 41 8.146 3.299 -20.678 1.00 0.00 H ATOM 695 1HH1 ARG A 41 7.944 4.765 -23.864 1.00 0.00 H ATOM 696 2HH1 ARG A 41 9.427 4.032 -24.433 1.00 0.00 H ATOM 697 1HH2 ARG A 41 10.069 2.353 -21.428 1.00 0.00 H ATOM 698 2HH2 ARG A 41 10.631 2.666 -23.055 1.00 0.00 H ATOM 699 N ILE A 42 3.889 9.337 -20.961 1.00 0.00 N ATOM 700 CA ILE A 42 2.698 10.111 -21.291 1.00 0.00 C ATOM 701 C ILE A 42 3.039 11.579 -21.511 1.00 0.00 C ATOM 702 O ILE A 42 2.645 12.174 -22.514 1.00 0.00 O ATOM 703 CB ILE A 42 1.639 9.991 -20.180 1.00 0.00 C ATOM 704 CG1 ILE A 42 1.093 8.562 -20.115 1.00 0.00 C ATOM 705 CG2 ILE A 42 0.512 10.985 -20.409 1.00 0.00 C ATOM 706 CD1 ILE A 42 0.286 8.272 -18.871 1.00 0.00 C ATOM 707 H ILE A 42 3.972 8.930 -20.041 1.00 0.00 H ATOM 708 HA ILE A 42 2.268 9.710 -22.210 1.00 0.00 H ATOM 709 HB ILE A 42 2.101 10.195 -19.214 1.00 0.00 H ATOM 710 1HG1 ILE A 42 0.462 8.374 -20.983 1.00 0.00 H ATOM 711 2HG1 ILE A 42 1.921 7.854 -20.156 1.00 0.00 H ATOM 712 1HG2 ILE A 42 -0.228 10.886 -19.615 1.00 0.00 H ATOM 713 2HG2 ILE A 42 0.913 11.997 -20.406 1.00 0.00 H ATOM 714 3HG2 ILE A 42 0.040 10.785 -21.371 1.00 0.00 H ATOM 715 1HD1 ILE A 42 -0.067 7.241 -18.897 1.00 0.00 H ATOM 716 2HD1 ILE A 42 0.911 8.420 -17.989 1.00 0.00 H ATOM 717 3HD1 ILE A 42 -0.569 8.946 -18.827 1.00 0.00 H ATOM 718 N GLY A 43 3.773 12.159 -20.568 1.00 0.00 N ATOM 719 CA GLY A 43 4.208 13.546 -20.680 1.00 0.00 C ATOM 720 C GLY A 43 4.782 14.052 -19.362 1.00 0.00 C ATOM 721 O GLY A 43 4.378 13.607 -18.288 1.00 0.00 O ATOM 722 OXT GLY A 43 5.637 14.894 -19.364 1.00 0.00 O ATOM 723 H GLY A 43 4.038 11.625 -19.753 1.00 0.00 H ATOM 724 1HA GLY A 43 4.961 13.630 -21.464 1.00 0.00 H ATOM 725 2HA GLY A 43 3.365 14.169 -20.977 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE nods_bigger.blueprint.44_try13_pass_20151109184049_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_intra_sol_xover4 lk_ball_wtd fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 rama omega fa_dun p_aa_pp yhh_planarity ref total weights 1 0.55 1 0.005 1 1 1 1.25 1.17 1.17 1.17 1.1 1.25 0.25 0.625 0.7 0.4 0.625 1 NA pose -219.063 22.7675 117.881 0.47582 5.8709 2.35588 -38.7528 0.0851 -29.2202 -0.99844 -7.74628 -13.4033 0 -6.25952 4.01678 52.5915 -8.00048 0.03904 0.89505 -116.465 THR:NtermProteinFull_1 -2.98676 0.31228 1.7591 0.00996 0.03677 -0.17415 -0.28174 0 0 0 0 0 0 0 0.02366 0.06676 0 0 0.72083 -0.51329 GLU_2 -3.31985 0.22134 2.89091 0.00935 0.26 0.38294 -1.53866 0 0 0 0 -0.86602 0 -0.11882 0.07974 2.76811 -0.13618 0 -2.28137 -1.64852 LYS_3 -4.42992 0.39711 3.37496 0.00853 0.1185 0.11903 -1.51826 0 0 0 0 -0.39678 0 -0.19961 0.00346 1.2667 -0.06151 0 -0.47142 -1.78921 GLN_4 -6.54561 0.73666 3.31874 0.0059 0.1518 -0.17463 -0.69708 0 0 0 -0.72594 0 0 -0.13295 0.0009 2.51037 -0.1013 0 -1.60738 -3.26053 GLU_5 -4.85607 0.24995 3.97301 0.00585 0.61228 0.27964 -2.02021 0 0 0 0 -1.31029 0 -0.34006 0.12536 3.04161 -0.18143 0 -2.28137 -2.70173 ARG_6 -4.81272 0.18701 4.20309 0.0144 0.22769 0.35103 -1.88767 0 0 0 0 -0.86602 0 -0.22959 0.16801 2.0296 -0.11985 0 -0.4 -1.13502 ALA_7 -4.87826 0.34872 2.18043 0.00082 0 -0.05528 -0.43819 0 0 0 0 0 0 -0.22613 0.10764 0 -0.22835 0 1.56209 -1.62652 ILE_8 -7.73015 1.21495 2.27023 0.02844 0.03488 -0.26804 -0.4982 0 0 0 0 0 0 0.01814 0.11164 0.24814 -0.11493 0 2.27849 -2.40641 GLU_9 -4.92745 0.36703 4.25194 0.00991 0.26722 0.31814 -1.74449 0 0 0 0 -0.82546 0 -0.06473 0.00683 2.85414 -0.12672 0 -2.28137 -1.89499 TYR_10 -6.59384 0.5508 3.38609 0.02691 0.17976 0.10558 -0.8836 0 0 0 0 -0.68431 0 0.10348 0.00246 1.5451 -0.15921 0.03021 0.21729 -2.17326 ILE_11 -8.57425 1.38543 0.66623 0.02946 0.03589 0 -0.40436 0 0 0 0 0 0 0.00331 0.0819 0.14256 -0.02825 0 2.27849 -4.3836 ARG_12 -7.21239 0.79578 4.60649 0.01331 0.24699 -0.30009 -0.76743 0 0 0 0 0 0 -0.17434 0.04874 2.31432 -0.11745 0 -0.4 -0.94608 ARG_13 -3.67862 0.35941 3.27716 0.01465 0.23693 0.35005 -1.3229 0 0 0 0 -0.82546 0 -0.29974 0.02801 1.83822 -0.08937 0 -0.4 -0.51165 LEU_14 -4.70457 0.8085 0.79776 0.01573 0.03572 -0.00493 -0.08999 0 0 0 0 0 0 -0.24502 0.01952 0.15293 -0.01082 0 1.68043 -1.54474 GLY_15 -1.73891 0.28361 1.30104 5e-05 0 -0.00966 0.11261 0 0 0 0 0 0 0.49401 0.01106 0 -1.357 0 0.8121 -0.09107 TYR_16 -7.91655 0.76778 2.79263 0.02724 0.17279 0.0003 -1.12068 0 0 0 -0.69599 0 0 -0.16262 0.47941 1.87979 -0.30498 0.00884 0.21729 -3.85476 SER_17 -3.94908 0.22557 3.68803 0.00142 0.05185 0.08822 -1.36716 0 0 0 -1.48305 0 0 -0.32041 0.04317 0.14295 -0.2884 0 0.5 -2.66689 GLU_18 -4.71592 0.32106 3.88774 0.00924 0.26465 0.05747 -1.4584 0 0 0 0 -0.87843 0 -0.14414 0.02805 2.66401 -0.12942 0 -2.28137 -2.37546 GLU_19 -4.04756 0.26903 3.61087 0.00952 0.25834 0.31654 -1.45632 0 0 0 0 -0.85339 0 -0.05417 0.0054 2.64238 -0.13112 0 -2.28137 -1.71186 GLU_20 -5.63744 0.42634 4.45154 0.00587 0.21233 0.16801 -1.42348 0 0 0 -1.48305 0 0 -0.21037 0.00561 3.13092 -0.12023 0 -2.28137 -2.75531 ALA_21 -5.70667 0.6026 1.36978 0.00082 0 0.00054 -0.45204 0 0 0 0 0 0 -0.24033 2e-05 0 -0.23779 0 1.56209 -3.10099 ARG_22 -6.73137 0.72811 5.16063 0.01569 0.2376 0.55282 -3.24242 0 0 0 0 -2.18872 0 -0.25969 0.21117 2.15007 -0.1329 0 -0.4 -3.89901 ARG_23 -5.48292 0.38818 4.35941 0.01446 0.22742 0.34894 -1.61982 0 0 0 0 -0.85339 0 -0.27117 0.10581 2.05199 -0.11491 0 -0.4 -1.24597 ILE_24 -8.06372 0.89609 0.59669 0.02964 0.03574 -0.00821 -0.38867 0 0 0 0 0 0 -0.04709 0.14756 0.21383 -0.09243 0 2.27849 -4.40207 LEU_25 -6.88537 0.42063 1.77246 0.01516 0.06794 -0.07911 -0.49026 0 0 0 0 0 0 -0.06414 0.0995 0.56425 -0.13394 0 1.68043 -3.03244 LYS_26 -3.83065 0.37417 2.8893 0.0063 0.07189 -0.03156 -0.17518 0 0 0 0 0 0 -0.23848 0.12356 1.04281 -0.06045 0 -0.47142 -0.29971 LYS_27 -3.66705 0.42024 2.19285 0.00644 0.07772 -0.07421 -0.08909 0 0 0 0 0 0 -0.32058 0.03606 0.9056 -0.05227 0 -0.47142 -1.03572 ALA_28 -5.61109 1.1682 1.28031 0.00174 0 -0.07598 -0.63161 0 0 0 0 0 0 -0.16007 0.00078 0 -0.0766 0 1.56209 -2.54223 ASN_29 -2.28088 0.52412 2.17266 0.00642 0.23169 -0.14155 -0.29088 0 0 0 0 0 0 -0.41079 0.17432 1.60564 -0.64382 0 -1.09912 -0.15219 GLY_30 -2.42521 0.39879 1.52329 1e-05 0 0.07115 -0.53491 0 0 0 -0.72594 0 0 -0.45886 0.00025 0 -1.0099 0 0.8121 -2.34922 ASN_31 -5.34569 1.09768 3.58404 0.01052 0.39292 -0.09553 -1.05399 0.04073 0 0 -0.96816 0 0 -0.17164 0.47253 1.90413 -0.22828 0 -1.09912 -1.45987 PRO_32 -5.57253 1.19574 2.03532 0.00254 0.02792 -0.11722 -0.35235 0.04437 0 0 0 0 0 -0.07296 0.04378 0.21259 0.00614 0 -0.97642 -3.52307 ASP_33 -4.0725 0.21673 4.16098 0.0025 0.23065 0.13481 -2.28726 0 0 0 -0.38489 -0.39678 0 -0.07503 0.84111 1.96783 -0.16961 0 -2.00354 -1.835 LEU_34 -6.07694 0.66445 2.11551 0.01658 0.08117 -0.24735 -0.42316 0 0 0 -0.58328 0 0 -0.15572 0.12545 1.01091 -0.15392 0 1.68043 -1.94587 ALA_35 -5.87488 0.68466 1.15604 0.00079 0 -0.00805 -0.2562 0 0 0 0 0 0 -0.01138 0.08834 0 -0.15872 0 1.56209 -2.8173 LYS_36 -6.13074 0.40708 3.20485 0.00629 0.07 -0.20287 -0.36032 0 0 0 0 0 0 -0.16087 0.01724 1.16107 -0.04704 0 -0.47142 -2.5067 GLU_37 -5.43904 0.35706 4.38478 0.00955 0.26575 0.27074 -1.66146 0 0 0 0 -0.88699 0 -0.12731 0.01842 2.85615 -0.13167 0 -2.28137 -2.3654 ILE_38 -7.03373 0.77135 1.45546 0.02884 0.03501 -0.01182 -0.63826 0 0 0 0 0 0 0.02689 0.01482 0.09329 -0.06759 0 2.27849 -3.04726 ALA_39 -5.80406 0.37904 1.52606 0.00082 0 0.01029 -0.18782 0 0 0 0 0 0 -0.17331 0.00335 0 -0.22462 0 1.56209 -2.90817 ARG_40 -4.21513 0.2187 3.41909 0.0121 0.14996 0.13679 -0.51236 0 0 0 0 -0.68431 0 -0.28134 0.02665 1.52042 -0.12665 0 -0.4 -0.73609 ARG_41 -3.65077 0.15938 3.25367 0.01442 0.22908 0.37327 -1.25441 0 0 0 0 -0.88699 0 -0.28339 0.05533 1.97992 -0.13046 0 -0.4 -0.54096 ILE_42 -3.86707 0.43722 1.06292 0.02745 0.03404 -0.00546 -0.20472 0 0 0 0 0 0 0.0015 0.03014 0.11244 -0.2065 0 2.27849 -0.29955 GLY:CtermProteinFull_43 -2.03902 0.02895 2.51735 0.00015 0 0.00527 -0.83941 0 0 0 -0.69599 0 0 0 0 0 0 0 0.8121 -0.21059 #END_POSE_ENERGIES_TABLE nods_bigger.blueprint.44_try13_pass_20151109184049_0001.pdb AlaCount 5 bb -0.023214 buried_minus_exposed 3719.51 buried_np 5222.76 buried_over_exposed 3.4743 cavity_volume 0 contact_all 260 contact_core_SASA 260 contact_core_SCN 260 degree 10.5814 exposed_hydrophobics 1503.24 exposed_polars 1681.51 exposed_total 3184.75 fxn_exposed_is_np 0.472013 holes -0.729057 mismatch_probability 0.0929213 pack 0.719927 percent_core_SASA 0.0930016 percent_core_SCN 0.116252 res_count_core_SASA 4 res_count_core_SCN 5 sidechain_neighbors -94.8853 ss_sc 0.784805 unsat_hbond 3
HHH_rd3_0053.pdb
ATOM 1 N ARG A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA ARG A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C ARG A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O ARG A 1 1.711 2.212 -0.894 1.00 0.00 O ATOM 5 CB ARG A 1 1.993 -0.748 -1.212 1.00 0.00 C ATOM 6 CG ARG A 1 3.506 -0.896 -1.256 1.00 0.00 C ATOM 7 CD ARG A 1 3.948 -1.670 -2.443 1.00 0.00 C ATOM 8 NE ARG A 1 3.507 -3.054 -2.383 1.00 0.00 N ATOM 9 CZ ARG A 1 4.167 -4.041 -1.746 1.00 0.00 C ATOM 10 NH1 ARG A 1 5.293 -3.781 -1.120 1.00 0.00 N ATOM 11 NH2 ARG A 1 3.681 -5.270 -1.749 1.00 0.00 N ATOM 12 1H ARG A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 13 2H ARG A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 14 3H ARG A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 15 HA ARG A 1 1.820 -0.555 0.878 1.00 0.00 H ATOM 16 1HB ARG A 1 1.564 -1.749 -1.240 1.00 0.00 H ATOM 17 2HB ARG A 1 1.685 -0.234 -2.122 1.00 0.00 H ATOM 18 1HG ARG A 1 3.967 0.092 -1.299 1.00 0.00 H ATOM 19 2HG ARG A 1 3.847 -1.416 -0.360 1.00 0.00 H ATOM 20 1HD ARG A 1 3.536 -1.220 -3.346 1.00 0.00 H ATOM 21 2HD ARG A 1 5.036 -1.662 -2.499 1.00 0.00 H ATOM 22 HE ARG A 1 2.643 -3.293 -2.853 1.00 0.00 H ATOM 23 1HH1 ARG A 1 5.664 -2.841 -1.118 1.00 0.00 H ATOM 24 2HH1 ARG A 1 5.788 -4.520 -0.643 1.00 0.00 H ATOM 25 1HH2 ARG A 1 2.815 -5.470 -2.230 1.00 0.00 H ATOM 26 2HH2 ARG A 1 4.176 -6.009 -1.272 1.00 0.00 H ATOM 27 N GLN A 2 2.814 1.737 1.008 1.00 0.00 N ATOM 28 CA GLN A 2 3.363 3.080 1.158 1.00 0.00 C ATOM 29 C GLN A 2 4.283 3.431 -0.004 1.00 0.00 C ATOM 30 O GLN A 2 4.237 4.543 -0.530 1.00 0.00 O ATOM 31 CB GLN A 2 4.122 3.204 2.482 1.00 0.00 C ATOM 32 CG GLN A 2 4.638 4.603 2.774 1.00 0.00 C ATOM 33 CD GLN A 2 3.516 5.601 2.986 1.00 0.00 C ATOM 34 OE1 GLN A 2 2.378 5.224 3.280 1.00 0.00 O ATOM 35 NE2 GLN A 2 3.829 6.883 2.836 1.00 0.00 N ATOM 36 H GLN A 2 3.052 1.030 1.689 1.00 0.00 H ATOM 37 HA GLN A 2 2.536 3.791 1.177 1.00 0.00 H ATOM 38 1HB GLN A 2 3.471 2.907 3.304 1.00 0.00 H ATOM 39 2HB GLN A 2 4.974 2.525 2.477 1.00 0.00 H ATOM 40 1HG GLN A 2 5.244 4.573 3.679 1.00 0.00 H ATOM 41 2HG GLN A 2 5.241 4.940 1.931 1.00 0.00 H ATOM 42 1HE2 GLN A 2 3.130 7.588 2.963 1.00 0.00 H ATOM 43 2HE2 GLN A 2 4.764 7.145 2.597 1.00 0.00 H ATOM 44 N LYS A 3 5.117 2.476 -0.401 1.00 0.00 N ATOM 45 CA LYS A 3 6.003 2.660 -1.545 1.00 0.00 C ATOM 46 C LYS A 3 5.232 3.139 -2.768 1.00 0.00 C ATOM 47 O LYS A 3 5.602 4.129 -3.399 1.00 0.00 O ATOM 48 CB LYS A 3 6.742 1.360 -1.864 1.00 0.00 C ATOM 49 CG LYS A 3 7.690 1.450 -3.053 1.00 0.00 C ATOM 50 CD LYS A 3 8.392 0.124 -3.302 1.00 0.00 C ATOM 51 CE LYS A 3 9.280 0.190 -4.536 1.00 0.00 C ATOM 52 NZ LYS A 3 9.960 -1.107 -4.802 1.00 0.00 N ATOM 53 H LYS A 3 5.138 1.601 0.102 1.00 0.00 H ATOM 54 HA LYS A 3 6.750 3.412 -1.286 1.00 0.00 H ATOM 55 1HB LYS A 3 7.323 1.048 -0.996 1.00 0.00 H ATOM 56 2HB LYS A 3 6.018 0.572 -2.073 1.00 0.00 H ATOM 57 1HG LYS A 3 7.128 1.728 -3.946 1.00 0.00 H ATOM 58 2HG LYS A 3 8.439 2.218 -2.863 1.00 0.00 H ATOM 59 1HD LYS A 3 9.006 -0.131 -2.436 1.00 0.00 H ATOM 60 2HD LYS A 3 7.649 -0.661 -3.442 1.00 0.00 H ATOM 61 1HE LYS A 3 8.677 0.455 -5.403 1.00 0.00 H ATOM 62 2HE LYS A 3 10.038 0.961 -4.398 1.00 0.00 H ATOM 63 1HZ LYS A 3 10.538 -1.021 -5.626 1.00 0.00 H ATOM 64 2HZ LYS A 3 10.537 -1.354 -4.011 1.00 0.00 H ATOM 65 3HZ LYS A 3 9.267 -1.826 -4.951 1.00 0.00 H ATOM 66 N ALA A 4 4.158 2.430 -3.098 1.00 0.00 N ATOM 67 CA ALA A 4 3.352 2.760 -4.268 1.00 0.00 C ATOM 68 C ALA A 4 2.793 4.174 -4.170 1.00 0.00 C ATOM 69 O ALA A 4 2.801 4.924 -5.146 1.00 0.00 O ATOM 70 CB ALA A 4 2.221 1.755 -4.433 1.00 0.00 C ATOM 71 H ALA A 4 3.893 1.642 -2.525 1.00 0.00 H ATOM 72 HA ALA A 4 3.984 2.695 -5.154 1.00 0.00 H ATOM 73 1HB ALA A 4 1.629 2.015 -5.310 1.00 0.00 H ATOM 74 2HB ALA A 4 2.639 0.756 -4.561 1.00 0.00 H ATOM 75 3HB ALA A 4 1.587 1.772 -3.549 1.00 0.00 H ATOM 76 N LYS A 5 2.307 4.532 -2.986 1.00 0.00 N ATOM 77 CA LYS A 5 1.724 5.850 -2.764 1.00 0.00 C ATOM 78 C LYS A 5 2.747 6.952 -3.004 1.00 0.00 C ATOM 79 O LYS A 5 2.471 7.925 -3.706 1.00 0.00 O ATOM 80 CB LYS A 5 1.161 5.954 -1.346 1.00 0.00 C ATOM 81 CG LYS A 5 -0.118 5.159 -1.116 1.00 0.00 C ATOM 82 CD LYS A 5 -0.597 5.287 0.322 1.00 0.00 C ATOM 83 CE LYS A 5 -1.902 4.535 0.541 1.00 0.00 C ATOM 84 NZ LYS A 5 -2.335 4.573 1.964 1.00 0.00 N ATOM 85 H LYS A 5 2.343 3.874 -2.220 1.00 0.00 H ATOM 86 HA LYS A 5 0.895 5.983 -3.461 1.00 0.00 H ATOM 87 1HB LYS A 5 1.906 5.603 -0.631 1.00 0.00 H ATOM 88 2HB LYS A 5 0.951 6.998 -1.113 1.00 0.00 H ATOM 89 1HG LYS A 5 -0.898 5.524 -1.784 1.00 0.00 H ATOM 90 2HG LYS A 5 0.063 4.108 -1.338 1.00 0.00 H ATOM 91 1HD LYS A 5 0.161 4.885 0.996 1.00 0.00 H ATOM 92 2HD LYS A 5 -0.750 6.339 0.563 1.00 0.00 H ATOM 93 1HE LYS A 5 -2.683 4.976 -0.076 1.00 0.00 H ATOM 94 2HE LYS A 5 -1.777 3.495 0.241 1.00 0.00 H ATOM 95 1HZ LYS A 5 -3.202 4.065 2.066 1.00 0.00 H ATOM 96 2HZ LYS A 5 -1.625 4.149 2.544 1.00 0.00 H ATOM 97 3HZ LYS A 5 -2.473 5.533 2.248 1.00 0.00 H ATOM 98 N GLU A 6 3.928 6.795 -2.417 1.00 0.00 N ATOM 99 CA GLU A 6 4.960 7.822 -2.485 1.00 0.00 C ATOM 100 C GLU A 6 5.492 7.976 -3.904 1.00 0.00 C ATOM 101 O GLU A 6 5.776 9.086 -4.353 1.00 0.00 O ATOM 102 CB GLU A 6 6.110 7.487 -1.532 1.00 0.00 C ATOM 103 CG GLU A 6 5.754 7.591 -0.056 1.00 0.00 C ATOM 104 CD GLU A 6 6.895 7.218 0.849 1.00 0.00 C ATOM 105 OE1 GLU A 6 7.950 6.909 0.347 1.00 0.00 O ATOM 106 OE2 GLU A 6 6.713 7.243 2.043 1.00 0.00 O ATOM 107 H GLU A 6 4.116 5.941 -1.911 1.00 0.00 H ATOM 108 HA GLU A 6 4.525 8.771 -2.169 1.00 0.00 H ATOM 109 1HB GLU A 6 6.455 6.470 -1.722 1.00 0.00 H ATOM 110 2HB GLU A 6 6.948 8.157 -1.722 1.00 0.00 H ATOM 111 1HG GLU A 6 5.452 8.615 0.163 1.00 0.00 H ATOM 112 2HG GLU A 6 4.906 6.940 0.150 1.00 0.00 H ATOM 113 N LEU A 7 5.626 6.855 -4.605 1.00 0.00 N ATOM 114 CA LEU A 7 6.024 6.872 -6.007 1.00 0.00 C ATOM 115 C LEU A 7 4.981 7.572 -6.868 1.00 0.00 C ATOM 116 O LEU A 7 5.319 8.336 -7.773 1.00 0.00 O ATOM 117 CB LEU A 7 6.238 5.440 -6.514 1.00 0.00 C ATOM 118 CG LEU A 7 7.459 4.708 -5.943 1.00 0.00 C ATOM 119 CD1 LEU A 7 7.418 3.246 -6.367 1.00 0.00 C ATOM 120 CD2 LEU A 7 8.732 5.383 -6.433 1.00 0.00 C ATOM 121 H LEU A 7 5.446 5.969 -4.155 1.00 0.00 H ATOM 122 HA LEU A 7 6.968 7.413 -6.092 1.00 0.00 H ATOM 123 1HB LEU A 7 5.355 4.851 -6.273 1.00 0.00 H ATOM 124 2HB LEU A 7 6.346 5.468 -7.599 1.00 0.00 H ATOM 125 HG LEU A 7 7.427 4.741 -4.854 1.00 0.00 H ATOM 126 1HD1 LEU A 7 8.286 2.725 -5.961 1.00 0.00 H ATOM 127 2HD1 LEU A 7 6.508 2.782 -5.987 1.00 0.00 H ATOM 128 3HD1 LEU A 7 7.433 3.181 -7.454 1.00 0.00 H ATOM 129 1HD2 LEU A 7 9.599 4.863 -6.026 1.00 0.00 H ATOM 130 2HD2 LEU A 7 8.766 5.350 -7.522 1.00 0.00 H ATOM 131 3HD2 LEU A 7 8.743 6.422 -6.101 1.00 0.00 H ATOM 132 N ALA A 8 3.711 7.307 -6.582 1.00 0.00 N ATOM 133 CA ALA A 8 2.614 7.932 -7.313 1.00 0.00 C ATOM 134 C ALA A 8 2.578 9.435 -7.071 1.00 0.00 C ATOM 135 O ALA A 8 2.272 10.212 -7.976 1.00 0.00 O ATOM 136 CB ALA A 8 1.287 7.300 -6.918 1.00 0.00 C ATOM 137 H ALA A 8 3.499 6.656 -5.839 1.00 0.00 H ATOM 138 HA ALA A 8 2.762 7.752 -8.378 1.00 0.00 H ATOM 139 1HB ALA A 8 0.478 7.777 -7.472 1.00 0.00 H ATOM 140 2HB ALA A 8 1.308 6.235 -7.151 1.00 0.00 H ATOM 141 3HB ALA A 8 1.124 7.435 -5.850 1.00 0.00 H ATOM 142 N GLU A 9 2.891 9.840 -5.845 1.00 0.00 N ATOM 143 CA GLU A 9 2.978 11.255 -5.504 1.00 0.00 C ATOM 144 C GLU A 9 4.002 11.970 -6.377 1.00 0.00 C ATOM 145 O GLU A 9 3.712 13.012 -6.964 1.00 0.00 O ATOM 146 CB GLU A 9 3.343 11.427 -4.028 1.00 0.00 C ATOM 147 CG GLU A 9 2.199 11.154 -3.062 1.00 0.00 C ATOM 148 CD GLU A 9 2.611 11.267 -1.621 1.00 0.00 C ATOM 149 OE1 GLU A 9 3.786 11.201 -1.351 1.00 0.00 O ATOM 150 OE2 GLU A 9 1.749 11.419 -0.787 1.00 0.00 O ATOM 151 H GLU A 9 3.074 9.150 -5.131 1.00 0.00 H ATOM 152 HA GLU A 9 2.001 11.711 -5.667 1.00 0.00 H ATOM 153 1HB GLU A 9 4.162 10.754 -3.775 1.00 0.00 H ATOM 154 2HB GLU A 9 3.691 12.446 -3.855 1.00 0.00 H ATOM 155 1HG GLU A 9 1.396 11.865 -3.255 1.00 0.00 H ATOM 156 2HG GLU A 9 1.812 10.153 -3.247 1.00 0.00 H ATOM 157 N GLU A 10 5.201 11.403 -6.458 1.00 0.00 N ATOM 158 CA GLU A 10 6.257 11.961 -7.295 1.00 0.00 C ATOM 159 C GLU A 10 5.813 12.058 -8.749 1.00 0.00 C ATOM 160 O GLU A 10 5.940 13.109 -9.378 1.00 0.00 O ATOM 161 CB GLU A 10 7.524 11.108 -7.194 1.00 0.00 C ATOM 162 CG GLU A 10 8.684 11.603 -8.046 1.00 0.00 C ATOM 163 CD GLU A 10 9.907 10.737 -7.928 1.00 0.00 C ATOM 164 OE1 GLU A 10 9.933 9.892 -7.065 1.00 0.00 O ATOM 165 OE2 GLU A 10 10.817 10.920 -8.702 1.00 0.00 O ATOM 166 H GLU A 10 5.386 10.565 -5.926 1.00 0.00 H ATOM 167 HA GLU A 10 6.493 12.962 -6.933 1.00 0.00 H ATOM 168 1HB GLU A 10 7.859 11.076 -6.157 1.00 0.00 H ATOM 169 2HB GLU A 10 7.299 10.085 -7.497 1.00 0.00 H ATOM 170 1HG GLU A 10 8.370 11.628 -9.089 1.00 0.00 H ATOM 171 2HG GLU A 10 8.934 12.619 -7.745 1.00 0.00 H ATOM 172 N LEU A 11 5.292 10.956 -9.278 1.00 0.00 N ATOM 173 CA LEU A 11 4.876 10.900 -10.675 1.00 0.00 C ATOM 174 C LEU A 11 3.756 11.894 -10.955 1.00 0.00 C ATOM 175 O LEU A 11 3.707 12.504 -12.024 1.00 0.00 O ATOM 176 CB LEU A 11 4.411 9.483 -11.033 1.00 0.00 C ATOM 177 CG LEU A 11 5.504 8.406 -11.038 1.00 0.00 C ATOM 178 CD1 LEU A 11 4.867 7.036 -11.225 1.00 0.00 C ATOM 179 CD2 LEU A 11 6.503 8.701 -12.147 1.00 0.00 C ATOM 180 H LEU A 11 5.182 10.136 -8.699 1.00 0.00 H ATOM 181 HA LEU A 11 5.732 11.152 -11.302 1.00 0.00 H ATOM 182 1HB LEU A 11 3.648 9.177 -10.319 1.00 0.00 H ATOM 183 2HB LEU A 11 3.963 9.505 -12.026 1.00 0.00 H ATOM 184 HG LEU A 11 6.019 8.406 -10.076 1.00 0.00 H ATOM 185 1HD1 LEU A 11 5.643 6.271 -11.228 1.00 0.00 H ATOM 186 2HD1 LEU A 11 4.172 6.843 -10.408 1.00 0.00 H ATOM 187 3HD1 LEU A 11 4.330 7.012 -12.172 1.00 0.00 H ATOM 188 1HD2 LEU A 11 7.280 7.937 -12.150 1.00 0.00 H ATOM 189 2HD2 LEU A 11 5.989 8.701 -13.108 1.00 0.00 H ATOM 190 3HD2 LEU A 11 6.956 9.678 -11.978 1.00 0.00 H ATOM 191 N GLN A 12 2.857 12.054 -9.990 1.00 0.00 N ATOM 192 CA GLN A 12 1.823 13.078 -10.067 1.00 0.00 C ATOM 193 C GLN A 12 2.432 14.465 -10.234 1.00 0.00 C ATOM 194 O GLN A 12 2.006 15.242 -11.087 1.00 0.00 O ATOM 195 CB GLN A 12 0.938 13.043 -8.818 1.00 0.00 C ATOM 196 CG GLN A 12 -0.210 14.037 -8.840 1.00 0.00 C ATOM 197 CD GLN A 12 -1.052 13.977 -7.580 1.00 0.00 C ATOM 198 OE1 GLN A 12 -0.535 14.092 -6.465 1.00 0.00 O ATOM 199 NE2 GLN A 12 -2.357 13.795 -7.749 1.00 0.00 N ATOM 200 H GLN A 12 2.891 11.449 -9.181 1.00 0.00 H ATOM 201 HA GLN A 12 1.192 12.868 -10.931 1.00 0.00 H ATOM 202 1HB GLN A 12 0.517 12.044 -8.699 1.00 0.00 H ATOM 203 2HB GLN A 12 1.545 13.249 -7.937 1.00 0.00 H ATOM 204 1HG GLN A 12 0.196 15.044 -8.932 1.00 0.00 H ATOM 205 2HG GLN A 12 -0.853 13.815 -9.692 1.00 0.00 H ATOM 206 1HE2 GLN A 12 -2.963 13.747 -6.954 1.00 0.00 H ATOM 207 2HE2 GLN A 12 -2.734 13.706 -8.671 1.00 0.00 H ATOM 208 N LYS A 13 3.432 14.768 -9.413 1.00 0.00 N ATOM 209 CA LYS A 13 4.121 16.051 -9.486 1.00 0.00 C ATOM 210 C LYS A 13 4.866 16.202 -10.806 1.00 0.00 C ATOM 211 O LYS A 13 5.099 17.316 -11.275 1.00 0.00 O ATOM 212 CB LYS A 13 5.091 16.206 -8.314 1.00 0.00 C ATOM 213 CG LYS A 13 4.417 16.370 -6.957 1.00 0.00 C ATOM 214 CD LYS A 13 5.444 16.466 -5.839 1.00 0.00 C ATOM 215 CE LYS A 13 4.773 16.611 -4.481 1.00 0.00 C ATOM 216 NZ LYS A 13 5.765 16.674 -3.374 1.00 0.00 N ATOM 217 H LYS A 13 3.722 14.093 -8.720 1.00 0.00 H ATOM 218 HA LYS A 13 3.379 16.847 -9.410 1.00 0.00 H ATOM 219 1HB LYS A 13 5.740 15.332 -8.261 1.00 0.00 H ATOM 220 2HB LYS A 13 5.726 17.077 -8.479 1.00 0.00 H ATOM 221 1HG LYS A 13 3.810 17.276 -6.960 1.00 0.00 H ATOM 222 2HG LYS A 13 3.766 15.517 -6.769 1.00 0.00 H ATOM 223 1HD LYS A 13 6.063 15.568 -5.835 1.00 0.00 H ATOM 224 2HD LYS A 13 6.088 17.329 -6.009 1.00 0.00 H ATOM 225 1HE LYS A 13 4.172 17.519 -4.467 1.00 0.00 H ATOM 226 2HE LYS A 13 4.111 15.762 -4.310 1.00 0.00 H ATOM 227 1HZ LYS A 13 5.280 16.769 -2.492 1.00 0.00 H ATOM 228 2HZ LYS A 13 6.315 15.827 -3.365 1.00 0.00 H ATOM 229 3HZ LYS A 13 6.372 17.469 -3.511 1.00 0.00 H ATOM 230 N ARG A 14 5.238 15.074 -11.401 1.00 0.00 N ATOM 231 CA ARG A 14 5.909 15.076 -12.696 1.00 0.00 C ATOM 232 C ARG A 14 4.904 15.143 -13.838 1.00 0.00 C ATOM 233 O ARG A 14 5.264 14.994 -15.005 1.00 0.00 O ATOM 234 CB ARG A 14 6.770 13.832 -12.855 1.00 0.00 C ATOM 235 CG ARG A 14 7.996 13.783 -11.957 1.00 0.00 C ATOM 236 CD ARG A 14 8.826 12.581 -12.225 1.00 0.00 C ATOM 237 NE ARG A 14 9.962 12.493 -11.321 1.00 0.00 N ATOM 238 CZ ARG A 14 11.125 13.152 -11.488 1.00 0.00 C ATOM 239 NH1 ARG A 14 11.290 13.941 -12.526 1.00 0.00 N ATOM 240 NH2 ARG A 14 12.100 13.005 -10.608 1.00 0.00 N ATOM 241 H ARG A 14 5.052 14.192 -10.946 1.00 0.00 H ATOM 242 HA ARG A 14 6.533 15.970 -12.761 1.00 0.00 H ATOM 243 1HB ARG A 14 6.172 12.947 -12.644 1.00 0.00 H ATOM 244 2HB ARG A 14 7.114 13.756 -13.886 1.00 0.00 H ATOM 245 1HG ARG A 14 8.609 14.668 -12.129 1.00 0.00 H ATOM 246 2HG ARG A 14 7.682 13.757 -10.913 1.00 0.00 H ATOM 247 1HD ARG A 14 8.220 11.685 -12.098 1.00 0.00 H ATOM 248 2HD ARG A 14 9.205 12.621 -13.245 1.00 0.00 H ATOM 249 HE ARG A 14 9.872 11.896 -10.510 1.00 0.00 H ATOM 250 1HH1 ARG A 14 10.545 14.053 -13.199 1.00 0.00 H ATOM 251 2HH1 ARG A 14 12.162 14.435 -12.651 1.00 0.00 H ATOM 252 1HH2 ARG A 14 11.973 12.399 -9.809 1.00 0.00 H ATOM 253 2HH2 ARG A 14 12.971 13.499 -10.733 1.00 0.00 H ATOM 254 N ASN A 15 3.640 15.369 -13.494 1.00 0.00 N ATOM 255 CA ASN A 15 2.586 15.497 -14.493 1.00 0.00 C ATOM 256 C ASN A 15 2.423 14.210 -15.290 1.00 0.00 C ATOM 257 O ASN A 15 2.217 14.241 -16.503 1.00 0.00 O ATOM 258 CB ASN A 15 2.866 16.667 -15.418 1.00 0.00 C ATOM 259 CG ASN A 15 2.917 17.981 -14.690 1.00 0.00 C ATOM 260 OD1 ASN A 15 2.062 18.269 -13.844 1.00 0.00 O ATOM 261 ND2 ASN A 15 3.902 18.784 -15.001 1.00 0.00 N ATOM 262 H ASN A 15 3.404 15.454 -12.516 1.00 0.00 H ATOM 263 HA ASN A 15 1.641 15.680 -13.978 1.00 0.00 H ATOM 264 1HB ASN A 15 3.819 16.509 -15.926 1.00 0.00 H ATOM 265 2HB ASN A 15 2.092 16.719 -16.184 1.00 0.00 H ATOM 266 1HD2 ASN A 15 3.986 19.672 -14.548 1.00 0.00 H ATOM 267 2HD2 ASN A 15 4.571 18.510 -15.691 1.00 0.00 H ATOM 268 N VAL A 16 2.516 13.077 -14.601 1.00 0.00 N ATOM 269 CA VAL A 16 2.367 11.776 -15.242 1.00 0.00 C ATOM 270 C VAL A 16 0.956 11.231 -15.058 1.00 0.00 C ATOM 271 O VAL A 16 0.411 11.252 -13.954 1.00 0.00 O ATOM 272 CB VAL A 16 3.381 10.774 -14.660 1.00 0.00 C ATOM 273 CG1 VAL A 16 3.221 9.412 -15.318 1.00 0.00 C ATOM 274 CG2 VAL A 16 4.796 11.301 -14.850 1.00 0.00 C ATOM 275 H VAL A 16 2.696 13.119 -13.608 1.00 0.00 H ATOM 276 HA VAL A 16 2.560 11.892 -16.309 1.00 0.00 H ATOM 277 HB VAL A 16 3.181 10.644 -13.597 1.00 0.00 H ATOM 278 1HG1 VAL A 16 3.946 8.716 -14.895 1.00 0.00 H ATOM 279 2HG1 VAL A 16 2.213 9.038 -15.139 1.00 0.00 H ATOM 280 3HG1 VAL A 16 3.390 9.503 -16.390 1.00 0.00 H ATOM 281 1HG2 VAL A 16 5.508 10.588 -14.435 1.00 0.00 H ATOM 282 2HG2 VAL A 16 4.994 11.437 -15.913 1.00 0.00 H ATOM 283 3HG2 VAL A 16 4.900 12.257 -14.336 1.00 0.00 H ATOM 284 N SER A 17 0.370 10.742 -16.145 1.00 0.00 N ATOM 285 CA SER A 17 -1.024 10.316 -16.138 1.00 0.00 C ATOM 286 C SER A 17 -1.202 9.025 -15.349 1.00 0.00 C ATOM 287 O SER A 17 -0.269 8.232 -15.218 1.00 0.00 O ATOM 288 CB SER A 17 -1.519 10.123 -17.558 1.00 0.00 C ATOM 289 OG SER A 17 -0.869 9.044 -18.174 1.00 0.00 O ATOM 290 H SER A 17 0.904 10.663 -16.999 1.00 0.00 H ATOM 291 HA SER A 17 -1.622 11.094 -15.660 1.00 0.00 H ATOM 292 1HB SER A 17 -2.594 9.945 -17.548 1.00 0.00 H ATOM 293 2HB SER A 17 -1.342 11.032 -18.131 1.00 0.00 H ATOM 294 HG SER A 17 -0.003 9.369 -18.432 1.00 0.00 H ATOM 295 N PRO A 18 -2.405 8.820 -14.823 1.00 0.00 N ATOM 296 CA PRO A 18 -2.710 7.619 -14.054 1.00 0.00 C ATOM 297 C PRO A 18 -2.327 6.361 -14.822 1.00 0.00 C ATOM 298 O PRO A 18 -1.860 5.383 -14.237 1.00 0.00 O ATOM 299 CB PRO A 18 -4.226 7.717 -13.850 1.00 0.00 C ATOM 300 CG PRO A 18 -4.497 9.182 -13.821 1.00 0.00 C ATOM 301 CD PRO A 18 -3.572 9.754 -14.862 1.00 0.00 C ATOM 302 HA PRO A 18 -2.140 7.649 -13.125 1.00 0.00 H ATOM 303 1HB PRO A 18 -4.750 7.201 -14.668 1.00 0.00 H ATOM 304 2HB PRO A 18 -4.512 7.212 -12.916 1.00 0.00 H ATOM 305 1HG PRO A 18 -5.557 9.377 -14.044 1.00 0.00 H ATOM 306 2HG PRO A 18 -4.304 9.585 -12.816 1.00 0.00 H ATOM 307 1HD PRO A 18 -4.070 9.740 -15.843 1.00 0.00 H ATOM 308 2HD PRO A 18 -3.295 10.781 -14.583 1.00 0.00 H ATOM 309 N ASP A 19 -2.528 6.390 -16.135 1.00 0.00 N ATOM 310 CA ASP A 19 -2.238 5.239 -16.981 1.00 0.00 C ATOM 311 C ASP A 19 -0.737 5.013 -17.108 1.00 0.00 C ATOM 312 O ASP A 19 -0.263 3.878 -17.059 1.00 0.00 O ATOM 313 CB ASP A 19 -2.852 5.426 -18.371 1.00 0.00 C ATOM 314 CG ASP A 19 -4.369 5.300 -18.370 1.00 0.00 C ATOM 315 OD1 ASP A 19 -4.892 4.658 -17.490 1.00 0.00 O ATOM 316 OD2 ASP A 19 -4.991 5.848 -19.249 1.00 0.00 O ATOM 317 H ASP A 19 -2.891 7.233 -16.558 1.00 0.00 H ATOM 318 HA ASP A 19 -2.687 4.355 -16.527 1.00 0.00 H ATOM 319 1HB ASP A 19 -2.583 6.409 -18.758 1.00 0.00 H ATOM 320 2HB ASP A 19 -2.440 4.681 -19.053 1.00 0.00 H ATOM 321 N GLU A 20 0.008 6.101 -17.272 1.00 0.00 N ATOM 322 CA GLU A 20 1.464 6.036 -17.301 1.00 0.00 C ATOM 323 C GLU A 20 2.024 5.636 -15.942 1.00 0.00 C ATOM 324 O GLU A 20 2.998 4.887 -15.857 1.00 0.00 O ATOM 325 CB GLU A 20 2.051 7.383 -17.728 1.00 0.00 C ATOM 326 CG GLU A 20 1.854 7.716 -19.200 1.00 0.00 C ATOM 327 CD GLU A 20 2.164 9.151 -19.522 1.00 0.00 C ATOM 328 OE1 GLU A 20 1.688 10.013 -18.823 1.00 0.00 O ATOM 329 OE2 GLU A 20 2.878 9.387 -20.468 1.00 0.00 O ATOM 330 H GLU A 20 -0.446 6.997 -17.380 1.00 0.00 H ATOM 331 HA GLU A 20 1.763 5.288 -18.036 1.00 0.00 H ATOM 332 1HB GLU A 20 1.595 8.181 -17.141 1.00 0.00 H ATOM 333 2HB GLU A 20 3.121 7.396 -17.522 1.00 0.00 H ATOM 334 1HG GLU A 20 2.502 7.074 -19.797 1.00 0.00 H ATOM 335 2HG GLU A 20 0.823 7.501 -19.476 1.00 0.00 H ATOM 336 N ILE A 21 1.403 6.138 -14.880 1.00 0.00 N ATOM 337 CA ILE A 21 1.792 5.776 -13.522 1.00 0.00 C ATOM 338 C ILE A 21 1.680 4.273 -13.300 1.00 0.00 C ATOM 339 O ILE A 21 2.588 3.648 -12.751 1.00 0.00 O ATOM 340 CB ILE A 21 0.925 6.515 -12.487 1.00 0.00 C ATOM 341 CG1 ILE A 21 1.270 8.007 -12.469 1.00 0.00 C ATOM 342 CG2 ILE A 21 1.111 5.906 -11.106 1.00 0.00 C ATOM 343 CD1 ILE A 21 0.306 8.847 -11.662 1.00 0.00 C ATOM 344 H ILE A 21 0.642 6.788 -15.017 1.00 0.00 H ATOM 345 HA ILE A 21 2.829 6.076 -13.368 1.00 0.00 H ATOM 346 HB ILE A 21 -0.124 6.438 -12.770 1.00 0.00 H ATOM 347 1HG1 ILE A 21 2.269 8.144 -12.059 1.00 0.00 H ATOM 348 2HG1 ILE A 21 1.282 8.390 -13.490 1.00 0.00 H ATOM 349 1HG2 ILE A 21 0.491 6.441 -10.386 1.00 0.00 H ATOM 350 2HG2 ILE A 21 0.817 4.858 -11.128 1.00 0.00 H ATOM 351 3HG2 ILE A 21 2.158 5.984 -10.812 1.00 0.00 H ATOM 352 1HD1 ILE A 21 0.616 9.891 -11.698 1.00 0.00 H ATOM 353 2HD1 ILE A 21 -0.697 8.752 -12.079 1.00 0.00 H ATOM 354 3HD1 ILE A 21 0.304 8.505 -10.628 1.00 0.00 H ATOM 355 N ARG A 22 0.562 3.699 -13.728 1.00 0.00 N ATOM 356 CA ARG A 22 0.364 2.256 -13.653 1.00 0.00 C ATOM 357 C ARG A 22 1.533 1.506 -14.278 1.00 0.00 C ATOM 358 O ARG A 22 2.143 0.647 -13.643 1.00 0.00 O ATOM 359 CB ARG A 22 -0.925 1.855 -14.354 1.00 0.00 C ATOM 360 CG ARG A 22 -1.269 0.377 -14.264 1.00 0.00 C ATOM 361 CD ARG A 22 -2.583 0.079 -14.892 1.00 0.00 C ATOM 362 NE ARG A 22 -3.667 0.807 -14.252 1.00 0.00 N ATOM 363 CZ ARG A 22 -4.325 1.843 -14.807 1.00 0.00 C ATOM 364 NH1 ARG A 22 -3.999 2.260 -16.010 1.00 0.00 N ATOM 365 NH2 ARG A 22 -5.299 2.440 -14.142 1.00 0.00 N ATOM 366 H ARG A 22 -0.171 4.276 -14.116 1.00 0.00 H ATOM 367 HA ARG A 22 0.288 1.972 -12.603 1.00 0.00 H ATOM 368 1HB ARG A 22 -1.759 2.414 -13.931 1.00 0.00 H ATOM 369 2HB ARG A 22 -0.861 2.115 -15.411 1.00 0.00 H ATOM 370 1HG ARG A 22 -0.504 -0.207 -14.777 1.00 0.00 H ATOM 371 2HG ARG A 22 -1.314 0.076 -13.217 1.00 0.00 H ATOM 372 1HD ARG A 22 -2.556 0.363 -15.943 1.00 0.00 H ATOM 373 2HD ARG A 22 -2.792 -0.987 -14.809 1.00 0.00 H ATOM 374 HE ARG A 22 -3.946 0.515 -13.324 1.00 0.00 H ATOM 375 1HH1 ARG A 22 -3.255 1.804 -16.518 1.00 0.00 H ATOM 376 2HH1 ARG A 22 -4.493 3.037 -16.426 1.00 0.00 H ATOM 377 1HH2 ARG A 22 -5.550 2.119 -13.216 1.00 0.00 H ATOM 378 2HH2 ARG A 22 -5.792 3.216 -14.557 1.00 0.00 H ATOM 379 N LYS A 23 1.841 1.837 -15.528 1.00 0.00 N ATOM 380 CA LYS A 23 2.907 1.162 -16.259 1.00 0.00 C ATOM 381 C LYS A 23 4.239 1.288 -15.532 1.00 0.00 C ATOM 382 O LYS A 23 4.997 0.323 -15.432 1.00 0.00 O ATOM 383 CB LYS A 23 3.025 1.726 -17.676 1.00 0.00 C ATOM 384 CG LYS A 23 1.858 1.378 -18.591 1.00 0.00 C ATOM 385 CD LYS A 23 2.026 2.011 -19.964 1.00 0.00 C ATOM 386 CE LYS A 23 0.847 1.688 -20.870 1.00 0.00 C ATOM 387 NZ LYS A 23 0.981 2.328 -22.207 1.00 0.00 N ATOM 388 H LYS A 23 1.323 2.575 -15.983 1.00 0.00 H ATOM 389 HA LYS A 23 2.653 0.104 -16.342 1.00 0.00 H ATOM 390 1HB LYS A 23 3.102 2.812 -17.630 1.00 0.00 H ATOM 391 2HB LYS A 23 3.938 1.352 -18.141 1.00 0.00 H ATOM 392 1HG LYS A 23 1.794 0.295 -18.704 1.00 0.00 H ATOM 393 2HG LYS A 23 0.929 1.734 -18.147 1.00 0.00 H ATOM 394 1HD LYS A 23 2.107 3.093 -19.859 1.00 0.00 H ATOM 395 2HD LYS A 23 2.940 1.639 -20.427 1.00 0.00 H ATOM 396 1HE LYS A 23 0.776 0.609 -21.004 1.00 0.00 H ATOM 397 2HE LYS A 23 -0.075 2.036 -20.406 1.00 0.00 H ATOM 398 1HZ LYS A 23 0.181 2.091 -22.776 1.00 0.00 H ATOM 399 2HZ LYS A 23 1.029 3.332 -22.097 1.00 0.00 H ATOM 400 3HZ LYS A 23 1.823 1.999 -22.656 1.00 0.00 H ATOM 401 N ILE A 24 4.520 2.484 -15.025 1.00 0.00 N ATOM 402 CA ILE A 24 5.770 2.744 -14.321 1.00 0.00 C ATOM 403 C ILE A 24 5.851 1.943 -13.028 1.00 0.00 C ATOM 404 O ILE A 24 6.865 1.306 -12.743 1.00 0.00 O ATOM 405 CB ILE A 24 5.922 4.243 -14.007 1.00 0.00 C ATOM 406 CG1 ILE A 24 6.116 5.042 -15.298 1.00 0.00 C ATOM 407 CG2 ILE A 24 7.087 4.472 -13.056 1.00 0.00 C ATOM 408 CD1 ILE A 24 5.962 6.535 -15.122 1.00 0.00 C ATOM 409 H ILE A 24 3.849 3.232 -15.130 1.00 0.00 H ATOM 410 HA ILE A 24 6.598 2.450 -14.967 1.00 0.00 H ATOM 411 HB ILE A 24 5.008 4.612 -13.543 1.00 0.00 H ATOM 412 1HG1 ILE A 24 7.109 4.847 -15.701 1.00 0.00 H ATOM 413 2HG1 ILE A 24 5.391 4.711 -16.043 1.00 0.00 H ATOM 414 1HG2 ILE A 24 7.180 5.537 -12.845 1.00 0.00 H ATOM 415 2HG2 ILE A 24 6.908 3.933 -12.126 1.00 0.00 H ATOM 416 3HG2 ILE A 24 8.007 4.110 -13.514 1.00 0.00 H ATOM 417 1HD1 ILE A 24 6.113 7.033 -16.080 1.00 0.00 H ATOM 418 2HD1 ILE A 24 4.960 6.757 -14.752 1.00 0.00 H ATOM 419 3HD1 ILE A 24 6.701 6.895 -14.407 1.00 0.00 H ATOM 420 N LEU A 25 4.776 1.978 -12.247 1.00 0.00 N ATOM 421 CA LEU A 25 4.750 1.318 -10.948 1.00 0.00 C ATOM 422 C LEU A 25 4.869 -0.193 -11.095 1.00 0.00 C ATOM 423 O LEU A 25 5.478 -0.863 -10.261 1.00 0.00 O ATOM 424 CB LEU A 25 3.456 1.665 -10.202 1.00 0.00 C ATOM 425 CG LEU A 25 3.349 3.108 -9.692 1.00 0.00 C ATOM 426 CD1 LEU A 25 2.012 3.300 -8.987 1.00 0.00 C ATOM 427 CD2 LEU A 25 4.509 3.402 -8.752 1.00 0.00 C ATOM 428 H LEU A 25 3.955 2.476 -12.563 1.00 0.00 H ATOM 429 HA LEU A 25 5.595 1.679 -10.359 1.00 0.00 H ATOM 430 1HB LEU A 25 2.613 1.486 -10.868 1.00 0.00 H ATOM 431 2HB LEU A 25 3.361 1.002 -9.343 1.00 0.00 H ATOM 432 HG LEU A 25 3.382 3.796 -10.536 1.00 0.00 H ATOM 433 1HD1 LEU A 25 1.936 4.325 -8.624 1.00 0.00 H ATOM 434 2HD1 LEU A 25 1.200 3.102 -9.687 1.00 0.00 H ATOM 435 3HD1 LEU A 25 1.943 2.612 -8.146 1.00 0.00 H ATOM 436 1HD2 LEU A 25 4.433 4.428 -8.390 1.00 0.00 H ATOM 437 2HD2 LEU A 25 4.476 2.715 -7.907 1.00 0.00 H ATOM 438 3HD2 LEU A 25 5.451 3.274 -9.287 1.00 0.00 H ATOM 439 N GLN A 26 4.283 -0.726 -12.162 1.00 0.00 N ATOM 440 CA GLN A 26 4.450 -2.133 -12.506 1.00 0.00 C ATOM 441 C GLN A 26 5.923 -2.491 -12.660 1.00 0.00 C ATOM 442 O GLN A 26 6.384 -3.504 -12.135 1.00 0.00 O ATOM 443 CB GLN A 26 3.694 -2.464 -13.795 1.00 0.00 C ATOM 444 CG GLN A 26 2.185 -2.531 -13.632 1.00 0.00 C ATOM 445 CD GLN A 26 1.472 -2.786 -14.946 1.00 0.00 C ATOM 446 OE1 GLN A 26 1.967 -2.426 -16.018 1.00 0.00 O ATOM 447 NE2 GLN A 26 0.302 -3.410 -14.872 1.00 0.00 N ATOM 448 H GLN A 26 3.706 -0.141 -12.750 1.00 0.00 H ATOM 449 HA GLN A 26 4.026 -2.738 -11.704 1.00 0.00 H ATOM 450 1HB GLN A 26 3.918 -1.711 -14.551 1.00 0.00 H ATOM 451 2HB GLN A 26 4.034 -3.425 -14.180 1.00 0.00 H ATOM 452 1HG GLN A 26 1.940 -3.342 -12.947 1.00 0.00 H ATOM 453 2HG GLN A 26 1.831 -1.582 -13.230 1.00 0.00 H ATOM 454 1HE2 GLN A 26 -0.215 -3.606 -15.706 1.00 0.00 H ATOM 455 2HE2 GLN A 26 -0.064 -3.684 -13.982 1.00 0.00 H ATOM 456 N LYS A 27 6.657 -1.653 -13.384 1.00 0.00 N ATOM 457 CA LYS A 27 8.095 -1.834 -13.541 1.00 0.00 C ATOM 458 C LYS A 27 8.819 -1.673 -12.210 1.00 0.00 C ATOM 459 O LYS A 27 9.891 -2.240 -12.003 1.00 0.00 O ATOM 460 CB LYS A 27 8.651 -0.844 -14.565 1.00 0.00 C ATOM 461 CG LYS A 27 8.209 -1.107 -15.999 1.00 0.00 C ATOM 462 CD LYS A 27 8.769 -0.060 -16.950 1.00 0.00 C ATOM 463 CE LYS A 27 8.318 -0.314 -18.381 1.00 0.00 C ATOM 464 NZ LYS A 27 8.832 0.721 -19.319 1.00 0.00 N ATOM 465 H LYS A 27 6.207 -0.871 -13.838 1.00 0.00 H ATOM 466 HA LYS A 27 8.279 -2.841 -13.919 1.00 0.00 H ATOM 467 1HB LYS A 27 8.342 0.167 -14.299 1.00 0.00 H ATOM 468 2HB LYS A 27 9.741 -0.869 -14.542 1.00 0.00 H ATOM 469 1HG LYS A 27 8.555 -2.092 -16.312 1.00 0.00 H ATOM 470 2HG LYS A 27 7.121 -1.089 -16.052 1.00 0.00 H ATOM 471 1HD LYS A 27 8.432 0.930 -16.642 1.00 0.00 H ATOM 472 2HD LYS A 27 9.858 -0.081 -16.914 1.00 0.00 H ATOM 473 1HE LYS A 27 8.673 -1.291 -18.707 1.00 0.00 H ATOM 474 2HE LYS A 27 7.228 -0.316 -18.424 1.00 0.00 H ATOM 475 1HZ LYS A 27 8.511 0.517 -20.255 1.00 0.00 H ATOM 476 2HZ LYS A 27 8.492 1.630 -19.037 1.00 0.00 H ATOM 477 3HZ LYS A 27 9.842 0.719 -19.302 1.00 0.00 H ATOM 478 N ALA A 28 8.225 -0.896 -11.310 1.00 0.00 N ATOM 479 CA ALA A 28 8.805 -0.670 -9.992 1.00 0.00 C ATOM 480 C ALA A 28 8.505 -1.831 -9.052 1.00 0.00 C ATOM 481 O ALA A 28 8.902 -1.817 -7.887 1.00 0.00 O ATOM 482 CB ALA A 28 8.289 0.635 -9.402 1.00 0.00 C ATOM 483 H ALA A 28 7.350 -0.450 -11.546 1.00 0.00 H ATOM 484 HA ALA A 28 9.888 -0.601 -10.097 1.00 0.00 H ATOM 485 1HB ALA A 28 8.731 0.789 -8.418 1.00 0.00 H ATOM 486 2HB ALA A 28 8.562 1.463 -10.057 1.00 0.00 H ATOM 487 3HB ALA A 28 7.205 0.588 -9.310 1.00 0.00 H ATOM 488 N GLY A 29 7.803 -2.835 -9.566 1.00 0.00 N ATOM 489 CA GLY A 29 7.494 -4.029 -8.789 1.00 0.00 C ATOM 490 C GLY A 29 6.260 -3.818 -7.921 1.00 0.00 C ATOM 491 O GLY A 29 6.139 -4.404 -6.845 1.00 0.00 O ATOM 492 H GLY A 29 7.475 -2.769 -10.519 1.00 0.00 H ATOM 493 1HA GLY A 29 7.329 -4.869 -9.464 1.00 0.00 H ATOM 494 2HA GLY A 29 8.346 -4.285 -8.161 1.00 0.00 H ATOM 495 N ILE A 30 5.346 -2.978 -8.394 1.00 0.00 N ATOM 496 CA ILE A 30 4.122 -2.685 -7.660 1.00 0.00 C ATOM 497 C ILE A 30 2.936 -3.444 -8.241 1.00 0.00 C ATOM 498 O ILE A 30 2.732 -3.460 -9.455 1.00 0.00 O ATOM 499 CB ILE A 30 3.822 -1.175 -7.672 1.00 0.00 C ATOM 500 CG1 ILE A 30 5.033 -0.386 -7.169 1.00 0.00 C ATOM 501 CG2 ILE A 30 2.595 -0.869 -6.827 1.00 0.00 C ATOM 502 CD1 ILE A 30 5.428 -0.714 -5.747 1.00 0.00 C ATOM 503 H ILE A 30 5.504 -2.531 -9.286 1.00 0.00 H ATOM 504 HA ILE A 30 4.254 -3.001 -6.626 1.00 0.00 H ATOM 505 HB ILE A 30 3.636 -0.849 -8.695 1.00 0.00 H ATOM 506 1HG1 ILE A 30 5.888 -0.582 -7.815 1.00 0.00 H ATOM 507 2HG1 ILE A 30 4.820 0.682 -7.225 1.00 0.00 H ATOM 508 1HG2 ILE A 30 2.397 0.202 -6.846 1.00 0.00 H ATOM 509 2HG2 ILE A 30 1.735 -1.404 -7.228 1.00 0.00 H ATOM 510 3HG2 ILE A 30 2.772 -1.187 -5.799 1.00 0.00 H ATOM 511 1HD1 ILE A 30 6.293 -0.115 -5.462 1.00 0.00 H ATOM 512 2HD1 ILE A 30 4.596 -0.491 -5.078 1.00 0.00 H ATOM 513 3HD1 ILE A 30 5.680 -1.771 -5.675 1.00 0.00 H ATOM 514 N SER A 31 2.156 -4.072 -7.368 1.00 0.00 N ATOM 515 CA SER A 31 0.999 -4.850 -7.794 1.00 0.00 C ATOM 516 C SER A 31 -0.098 -3.949 -8.346 1.00 0.00 C ATOM 517 O SER A 31 -0.172 -2.767 -8.009 1.00 0.00 O ATOM 518 CB SER A 31 0.461 -5.664 -6.634 1.00 0.00 C ATOM 519 OG SER A 31 -0.153 -4.839 -5.683 1.00 0.00 O ATOM 520 H SER A 31 2.370 -4.008 -6.383 1.00 0.00 H ATOM 521 HA SER A 31 1.313 -5.531 -8.586 1.00 0.00 H ATOM 522 1HB SER A 31 -0.258 -6.394 -7.005 1.00 0.00 H ATOM 523 2HB SER A 31 1.276 -6.216 -6.168 1.00 0.00 H ATOM 524 HG SER A 31 0.486 -4.730 -4.975 1.00 0.00 H ATOM 525 N ASP A 32 -0.949 -4.514 -9.196 1.00 0.00 N ATOM 526 CA ASP A 32 -2.023 -3.753 -9.824 1.00 0.00 C ATOM 527 C ASP A 32 -2.962 -3.162 -8.780 1.00 0.00 C ATOM 528 O ASP A 32 -3.410 -2.022 -8.909 1.00 0.00 O ATOM 529 CB ASP A 32 -2.815 -4.639 -10.789 1.00 0.00 C ATOM 530 CG ASP A 32 -2.062 -4.930 -12.080 1.00 0.00 C ATOM 531 OD1 ASP A 32 -1.132 -4.217 -12.376 1.00 0.00 O ATOM 532 OD2 ASP A 32 -2.423 -5.863 -12.757 1.00 0.00 O ATOM 533 H ASP A 32 -0.849 -5.495 -9.413 1.00 0.00 H ATOM 534 HA ASP A 32 -1.580 -2.938 -10.397 1.00 0.00 H ATOM 535 1HB ASP A 32 -3.052 -5.585 -10.302 1.00 0.00 H ATOM 536 2HB ASP A 32 -3.759 -4.153 -11.037 1.00 0.00 H ATOM 537 N GLU A 33 -3.258 -3.943 -7.747 1.00 0.00 N ATOM 538 CA GLU A 33 -4.077 -3.470 -6.638 1.00 0.00 C ATOM 539 C GLU A 33 -3.436 -2.270 -5.953 1.00 0.00 C ATOM 540 O GLU A 33 -4.083 -1.243 -5.746 1.00 0.00 O ATOM 541 CB GLU A 33 -4.298 -4.592 -5.621 1.00 0.00 C ATOM 542 CG GLU A 33 -5.143 -4.194 -4.419 1.00 0.00 C ATOM 543 CD GLU A 33 -5.317 -5.312 -3.430 1.00 0.00 C ATOM 544 OE1 GLU A 33 -4.977 -6.425 -3.754 1.00 0.00 O ATOM 545 OE2 GLU A 33 -5.791 -5.054 -2.349 1.00 0.00 O ATOM 546 H GLU A 33 -2.905 -4.890 -7.730 1.00 0.00 H ATOM 547 HA GLU A 33 -5.050 -3.171 -7.030 1.00 0.00 H ATOM 548 1HB GLU A 33 -4.787 -5.435 -6.110 1.00 0.00 H ATOM 549 2HB GLU A 33 -3.334 -4.943 -5.251 1.00 0.00 H ATOM 550 1HG GLU A 33 -4.667 -3.351 -3.917 1.00 0.00 H ATOM 551 2HG GLU A 33 -6.121 -3.868 -4.768 1.00 0.00 H ATOM 552 N ASP A 34 -2.162 -2.405 -5.602 1.00 0.00 N ATOM 553 CA ASP A 34 -1.437 -1.341 -4.919 1.00 0.00 C ATOM 554 C ASP A 34 -1.394 -0.074 -5.764 1.00 0.00 C ATOM 555 O ASP A 34 -1.446 1.037 -5.236 1.00 0.00 O ATOM 556 CB ASP A 34 -0.012 -1.789 -4.587 1.00 0.00 C ATOM 557 CG ASP A 34 0.040 -2.817 -3.465 1.00 0.00 C ATOM 558 OD1 ASP A 34 -0.820 -2.785 -2.616 1.00 0.00 O ATOM 559 OD2 ASP A 34 0.938 -3.624 -3.467 1.00 0.00 O ATOM 560 H ASP A 34 -1.682 -3.269 -5.815 1.00 0.00 H ATOM 561 HA ASP A 34 -1.950 -1.119 -3.982 1.00 0.00 H ATOM 562 1HB ASP A 34 0.451 -2.219 -5.476 1.00 0.00 H ATOM 563 2HB ASP A 34 0.583 -0.923 -4.295 1.00 0.00 H ATOM 564 N ILE A 35 -1.299 -0.248 -7.077 1.00 0.00 N ATOM 565 CA ILE A 35 -1.313 0.879 -8.002 1.00 0.00 C ATOM 566 C ILE A 35 -2.627 1.645 -7.917 1.00 0.00 C ATOM 567 O ILE A 35 -2.637 2.864 -7.746 1.00 0.00 O ATOM 568 CB ILE A 35 -1.088 0.405 -9.450 1.00 0.00 C ATOM 569 CG1 ILE A 35 0.349 -0.092 -9.631 1.00 0.00 C ATOM 570 CG2 ILE A 35 -1.395 1.526 -10.431 1.00 0.00 C ATOM 571 CD1 ILE A 35 0.582 -0.824 -10.933 1.00 0.00 C ATOM 572 H ILE A 35 -1.213 -1.185 -7.445 1.00 0.00 H ATOM 573 HA ILE A 35 -0.498 1.554 -7.739 1.00 0.00 H ATOM 574 HB ILE A 35 -1.742 -0.440 -9.662 1.00 0.00 H ATOM 575 1HG1 ILE A 35 1.034 0.754 -9.588 1.00 0.00 H ATOM 576 2HG1 ILE A 35 0.608 -0.763 -8.812 1.00 0.00 H ATOM 577 1HG2 ILE A 35 -1.229 1.174 -11.449 1.00 0.00 H ATOM 578 2HG2 ILE A 35 -2.433 1.834 -10.318 1.00 0.00 H ATOM 579 3HG2 ILE A 35 -0.741 2.374 -10.230 1.00 0.00 H ATOM 580 1HD1 ILE A 35 1.623 -1.145 -10.988 1.00 0.00 H ATOM 581 2HD1 ILE A 35 -0.070 -1.697 -10.981 1.00 0.00 H ATOM 582 3HD1 ILE A 35 0.364 -0.160 -11.768 1.00 0.00 H ATOM 583 N GLU A 36 -3.736 0.922 -8.038 1.00 0.00 N ATOM 584 CA GLU A 36 -5.056 1.542 -8.060 1.00 0.00 C ATOM 585 C GLU A 36 -5.362 2.232 -6.737 1.00 0.00 C ATOM 586 O GLU A 36 -6.014 3.276 -6.707 1.00 0.00 O ATOM 587 CB GLU A 36 -6.131 0.496 -8.361 1.00 0.00 C ATOM 588 CG GLU A 36 -6.070 -0.081 -9.768 1.00 0.00 C ATOM 589 CD GLU A 36 -6.237 0.963 -10.837 1.00 0.00 C ATOM 590 OE1 GLU A 36 -7.155 1.741 -10.742 1.00 0.00 O ATOM 591 OE2 GLU A 36 -5.445 0.982 -11.750 1.00 0.00 O ATOM 592 H GLU A 36 -3.663 -0.082 -8.117 1.00 0.00 H ATOM 593 HA GLU A 36 -5.075 2.287 -8.856 1.00 0.00 H ATOM 594 1HB GLU A 36 -6.042 -0.331 -7.656 1.00 0.00 H ATOM 595 2HB GLU A 36 -7.118 0.939 -8.224 1.00 0.00 H ATOM 596 1HG GLU A 36 -5.108 -0.575 -9.906 1.00 0.00 H ATOM 597 2HG GLU A 36 -6.851 -0.833 -9.876 1.00 0.00 H ATOM 598 N ARG A 37 -4.887 1.644 -5.644 1.00 0.00 N ATOM 599 CA ARG A 37 -4.982 2.273 -4.333 1.00 0.00 C ATOM 600 C ARG A 37 -4.161 3.554 -4.276 1.00 0.00 C ATOM 601 O ARG A 37 -4.608 4.566 -3.734 1.00 0.00 O ATOM 602 CB ARG A 37 -4.506 1.320 -3.246 1.00 0.00 C ATOM 603 CG ARG A 37 -5.432 0.145 -2.975 1.00 0.00 C ATOM 604 CD ARG A 37 -4.931 -0.704 -1.864 1.00 0.00 C ATOM 605 NE ARG A 37 -5.759 -1.883 -1.666 1.00 0.00 N ATOM 606 CZ ARG A 37 -6.918 -1.897 -0.979 1.00 0.00 C ATOM 607 NH1 ARG A 37 -7.371 -0.791 -0.432 1.00 0.00 N ATOM 608 NH2 ARG A 37 -7.599 -3.023 -0.856 1.00 0.00 N ATOM 609 H ARG A 37 -4.450 0.737 -5.725 1.00 0.00 H ATOM 610 HA ARG A 37 -6.028 2.518 -4.141 1.00 0.00 H ATOM 611 1HB ARG A 37 -3.532 0.916 -3.519 1.00 0.00 H ATOM 612 2HB ARG A 37 -4.383 1.866 -2.311 1.00 0.00 H ATOM 613 1HG ARG A 37 -6.421 0.516 -2.703 1.00 0.00 H ATOM 614 2HG ARG A 37 -5.509 -0.472 -3.870 1.00 0.00 H ATOM 615 1HD ARG A 37 -3.917 -1.034 -2.087 1.00 0.00 H ATOM 616 2HD ARG A 37 -4.930 -0.129 -0.938 1.00 0.00 H ATOM 617 HE ARG A 37 -5.443 -2.753 -2.072 1.00 0.00 H ATOM 618 1HH1 ARG A 37 -6.851 0.070 -0.527 1.00 0.00 H ATOM 619 2HH1 ARG A 37 -8.240 -0.801 0.082 1.00 0.00 H ATOM 620 1HH2 ARG A 37 -7.250 -3.873 -1.276 1.00 0.00 H ATOM 621 2HH2 ARG A 37 -8.467 -3.033 -0.341 1.00 0.00 H ATOM 622 N ALA A 38 -2.958 3.506 -4.838 1.00 0.00 N ATOM 623 CA ALA A 38 -2.084 4.672 -4.879 1.00 0.00 C ATOM 624 C ALA A 38 -2.678 5.775 -5.746 1.00 0.00 C ATOM 625 O ALA A 38 -2.575 6.957 -5.419 1.00 0.00 O ATOM 626 CB ALA A 38 -0.705 4.283 -5.390 1.00 0.00 C ATOM 627 H ALA A 38 -2.641 2.639 -5.247 1.00 0.00 H ATOM 628 HA ALA A 38 -1.965 5.051 -3.863 1.00 0.00 H ATOM 629 1HB ALA A 38 -0.064 5.164 -5.415 1.00 0.00 H ATOM 630 2HB ALA A 38 -0.269 3.535 -4.726 1.00 0.00 H ATOM 631 3HB ALA A 38 -0.792 3.869 -6.393 1.00 0.00 H ATOM 632 N LEU A 39 -3.299 5.381 -6.852 1.00 0.00 N ATOM 633 CA LEU A 39 -3.903 6.336 -7.773 1.00 0.00 C ATOM 634 C LEU A 39 -5.051 7.089 -7.111 1.00 0.00 C ATOM 635 O LEU A 39 -5.159 8.308 -7.235 1.00 0.00 O ATOM 636 CB LEU A 39 -4.413 5.614 -9.027 1.00 0.00 C ATOM 637 CG LEU A 39 -3.331 5.107 -9.988 1.00 0.00 C ATOM 638 CD1 LEU A 39 -3.979 4.293 -11.100 1.00 0.00 C ATOM 639 CD2 LEU A 39 -2.560 6.290 -10.555 1.00 0.00 C ATOM 640 H LEU A 39 -3.353 4.394 -7.061 1.00 0.00 H ATOM 641 HA LEU A 39 -3.141 7.056 -8.075 1.00 0.00 H ATOM 642 1HB LEU A 39 -5.008 4.757 -8.716 1.00 0.00 H ATOM 643 2HB LEU A 39 -5.057 6.296 -9.583 1.00 0.00 H ATOM 644 HG LEU A 39 -2.645 4.451 -9.451 1.00 0.00 H ATOM 645 1HD1 LEU A 39 -3.210 3.932 -11.783 1.00 0.00 H ATOM 646 2HD1 LEU A 39 -4.507 3.443 -10.667 1.00 0.00 H ATOM 647 3HD1 LEU A 39 -4.684 4.919 -11.645 1.00 0.00 H ATOM 648 1HD2 LEU A 39 -1.790 5.929 -11.238 1.00 0.00 H ATOM 649 2HD2 LEU A 39 -3.244 6.945 -11.094 1.00 0.00 H ATOM 650 3HD2 LEU A 39 -2.092 6.843 -9.741 1.00 0.00 H ATOM 651 N GLU A 40 -5.905 6.354 -6.407 1.00 0.00 N ATOM 652 CA GLU A 40 -7.019 6.956 -5.685 1.00 0.00 C ATOM 653 C GLU A 40 -6.529 7.772 -4.497 1.00 0.00 C ATOM 654 O GLU A 40 -7.153 8.760 -4.109 1.00 0.00 O ATOM 655 CB GLU A 40 -7.992 5.875 -5.208 1.00 0.00 C ATOM 656 CG GLU A 40 -8.736 5.160 -6.326 1.00 0.00 C ATOM 657 CD GLU A 40 -9.564 6.092 -7.167 1.00 0.00 C ATOM 658 OE1 GLU A 40 -10.271 6.896 -6.608 1.00 0.00 O ATOM 659 OE2 GLU A 40 -9.489 5.999 -8.370 1.00 0.00 O ATOM 660 H GLU A 40 -5.780 5.352 -6.372 1.00 0.00 H ATOM 661 HA GLU A 40 -7.556 7.618 -6.366 1.00 0.00 H ATOM 662 1HB GLU A 40 -7.448 5.124 -4.634 1.00 0.00 H ATOM 663 2HB GLU A 40 -8.733 6.321 -4.544 1.00 0.00 H ATOM 664 1HG GLU A 40 -8.012 4.658 -6.967 1.00 0.00 H ATOM 665 2HG GLU A 40 -9.383 4.400 -5.890 1.00 0.00 H ATOM 666 N TYR A 41 -5.406 7.355 -3.921 1.00 0.00 N ATOM 667 CA TYR A 41 -4.786 8.091 -2.827 1.00 0.00 C ATOM 668 C TYR A 41 -4.404 9.502 -3.258 1.00 0.00 C ATOM 669 O TYR A 41 -4.742 10.478 -2.590 1.00 0.00 O ATOM 670 CB TYR A 41 -3.555 7.344 -2.308 1.00 0.00 C ATOM 671 CG TYR A 41 -2.649 8.189 -1.441 1.00 0.00 C ATOM 672 CD1 TYR A 41 -3.067 8.585 -0.179 1.00 0.00 C ATOM 673 CD2 TYR A 41 -1.399 8.568 -1.907 1.00 0.00 C ATOM 674 CE1 TYR A 41 -2.239 9.356 0.613 1.00 0.00 C ATOM 675 CE2 TYR A 41 -0.571 9.340 -1.115 1.00 0.00 C ATOM 676 CZ TYR A 41 -0.988 9.733 0.140 1.00 0.00 C ATOM 677 OH TYR A 41 -0.163 10.502 0.929 1.00 0.00 O ATOM 678 H TYR A 41 -4.971 6.505 -4.251 1.00 0.00 H ATOM 679 HA TYR A 41 -5.501 8.158 -2.006 1.00 0.00 H ATOM 680 1HB TYR A 41 -3.874 6.478 -1.726 1.00 0.00 H ATOM 681 2HB TYR A 41 -2.972 6.975 -3.151 1.00 0.00 H ATOM 682 HD1 TYR A 41 -4.050 8.287 0.188 1.00 0.00 H ATOM 683 HD2 TYR A 41 -1.070 8.258 -2.899 1.00 0.00 H ATOM 684 HE1 TYR A 41 -2.568 9.667 1.605 1.00 0.00 H ATOM 685 HE2 TYR A 41 0.411 9.639 -1.482 1.00 0.00 H ATOM 686 HH TYR A 41 0.567 10.832 0.400 1.00 0.00 H ATOM 687 N ILE A 42 -3.698 9.601 -4.380 1.00 0.00 N ATOM 688 CA ILE A 42 -3.155 10.876 -4.832 1.00 0.00 C ATOM 689 C ILE A 42 -4.249 11.768 -5.405 1.00 0.00 C ATOM 690 O ILE A 42 -4.070 12.979 -5.539 1.00 0.00 O ATOM 691 CB ILE A 42 -2.060 10.661 -5.892 1.00 0.00 C ATOM 692 CG1 ILE A 42 -2.643 9.979 -7.132 1.00 0.00 C ATOM 693 CG2 ILE A 42 -0.917 9.839 -5.316 1.00 0.00 C ATOM 694 CD1 ILE A 42 -1.693 9.932 -8.307 1.00 0.00 C ATOM 695 H ILE A 42 -3.534 8.772 -4.932 1.00 0.00 H ATOM 696 HA ILE A 42 -2.703 11.382 -3.979 1.00 0.00 H ATOM 697 HB ILE A 42 -1.673 11.627 -6.216 1.00 0.00 H ATOM 698 1HG1 ILE A 42 -2.930 8.957 -6.884 1.00 0.00 H ATOM 699 2HG1 ILE A 42 -3.546 10.504 -7.446 1.00 0.00 H ATOM 700 1HG2 ILE A 42 -0.151 9.696 -6.079 1.00 0.00 H ATOM 701 2HG2 ILE A 42 -0.486 10.363 -4.464 1.00 0.00 H ATOM 702 3HG2 ILE A 42 -1.293 8.868 -4.994 1.00 0.00 H ATOM 703 1HD1 ILE A 42 -2.178 9.435 -9.148 1.00 0.00 H ATOM 704 2HD1 ILE A 42 -1.420 10.948 -8.595 1.00 0.00 H ATOM 705 3HD1 ILE A 42 -0.796 9.381 -8.028 1.00 0.00 H ATOM 706 N LYS A 43 -5.383 11.163 -5.743 1.00 0.00 N ATOM 707 CA LYS A 43 -6.567 11.918 -6.134 1.00 0.00 C ATOM 708 C LYS A 43 -7.133 12.704 -4.958 1.00 0.00 C ATOM 709 O LYS A 43 -7.007 12.291 -3.805 1.00 0.00 O ATOM 710 OXT LYS A 43 -7.710 13.738 -5.150 1.00 0.00 O ATOM 711 CB LYS A 43 -7.634 10.983 -6.704 1.00 0.00 C ATOM 712 CG LYS A 43 -7.332 10.461 -8.103 1.00 0.00 C ATOM 713 CD LYS A 43 -8.432 9.534 -8.597 1.00 0.00 C ATOM 714 CE LYS A 43 -8.069 8.906 -9.935 1.00 0.00 C ATOM 715 NZ LYS A 43 -9.135 7.993 -10.429 1.00 0.00 N ATOM 716 H LYS A 43 -5.425 10.154 -5.728 1.00 0.00 H ATOM 717 HA LYS A 43 -6.282 12.634 -6.906 1.00 0.00 H ATOM 718 1HB LYS A 43 -7.755 10.123 -6.045 1.00 0.00 H ATOM 719 2HB LYS A 43 -8.592 11.503 -6.742 1.00 0.00 H ATOM 720 1HG LYS A 43 -7.239 11.301 -8.792 1.00 0.00 H ATOM 721 2HG LYS A 43 -6.388 9.917 -8.091 1.00 0.00 H ATOM 722 1HD LYS A 43 -8.596 8.741 -7.865 1.00 0.00 H ATOM 723 2HD LYS A 43 -9.358 10.097 -8.710 1.00 0.00 H ATOM 724 1HE LYS A 43 -7.909 9.691 -10.673 1.00 0.00 H ATOM 725 2HE LYS A 43 -7.143 8.341 -9.832 1.00 0.00 H ATOM 726 1HZ LYS A 43 -8.856 7.598 -11.316 1.00 0.00 H ATOM 727 2HZ LYS A 43 -9.279 7.250 -9.759 1.00 0.00 H ATOM 728 3HZ LYS A 43 -9.994 8.510 -10.546 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE nods_bigger.blueprint.44_try17_pass_20151109075243_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_intra_sol_xover4 lk_ball_wtd fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 rama omega fa_dun p_aa_pp yhh_planarity ref total weights 1 0.55 1 0.005 1 1 1 1.25 1.17 1.17 1.17 1.1 1.25 0.25 0.625 0.7 0.4 0.625 1 NA pose -218.979 25.5457 114.436 0.4696 7.01621 0.11866 -36.1138 0.05468 -26.2162 -1.84735 -4.80929 -13.0233 0 -6.87282 3.48932 57.7778 -6.56225 0.02763 -4.62689 -110.115 ARG:NtermProteinFull_1 -4.78363 0.26405 3.35296 0.01919 0.42077 -0.10298 -1.21914 0 0 0 0 -0.34795 0 0 0.04494 2.04419 0 0 -0.4 -0.7076 GLN_2 -3.55752 0.17212 2.86919 0.01139 0.61516 -0.01833 -0.61719 0 0 0 0 -0.78902 0 -0.16678 0.06039 3.04403 -0.12926 0 -1.60738 -0.1132 LYS_3 -4.61477 0.39031 2.31801 0.0091 0.10113 -0.21518 -0.27291 0 0 0 0 0 0 -0.00526 0.01742 0.9323 -0.08594 0 -0.47142 -1.89721 ALA_4 -5.36226 0.38673 0.94165 0.00081 0 -0.00873 0.055 0 0 0 0 0 0 -0.17748 0.0058 0 -0.21806 0 1.56209 -2.81446 LYS_5 -6.79635 0.39759 3.29023 0.00624 0.06774 -0.18394 -0.19598 0 0 0 0 0 0 -0.15014 0.13127 1.21729 -0.03411 0 -0.47142 -2.72157 GLU_6 -4.83099 0.20119 4.07092 0.00679 0.21368 0.00923 -0.90607 0 0 0 0 -0.78902 0 -0.30391 0.14949 2.67776 -0.18454 0 -2.28137 -1.96683 LEU_7 -5.36135 0.609 1.80008 0.01333 0.02793 -0.04575 -0.39138 0 0 0 0 0 0 -0.13922 0.00956 0.32725 -0.14898 0 1.68043 -1.61912 ALA_8 -5.33723 0.32549 1.29144 0.00083 0 -0.00555 -0.41119 0 0 0 0 0 0 -0.26919 0.09873 0 -0.20875 0 1.56209 -2.95331 GLU_9 -5.64178 0.64535 4.27648 0.00625 0.19849 -0.04902 -1.41574 0 0 0 0 -0.36664 0 -0.11388 0.02704 3.06916 -0.13759 0 -2.28137 -1.78326 GLU_10 -4.77209 0.26479 4.12449 0.00969 0.262 0.33431 -1.54261 0 0 0 0 -0.85657 0 -0.10769 0.03682 2.68034 -0.13769 0 -2.28137 -1.98558 LEU_11 -7.81069 0.805 1.11568 0.01361 0.02911 -0.01845 -0.45494 0 0 0 0 0 0 -0.14593 0.30018 0.22951 -0.15094 0 1.68043 -4.40741 GLN_12 -5.06745 0.46062 3.59617 0.00737 0.1627 -0.13628 -0.67608 0 0 0 -0.39796 0 0 -0.03705 0.01069 2.95746 -0.07476 0 -1.60738 -0.80194 LYS_13 -3.02007 0.344 2.33131 0.00649 0.07884 -0.05081 -0.14494 0 0 0 0 0 0 -0.33247 0.04166 0.88615 -0.05095 0 -0.47142 -0.38221 ARG_14 -4.68307 0.653 3.32916 0.01616 0.2538 0.28621 -1.46521 0 0 0 0 -0.85657 0 -0.09245 0.02272 1.65641 -0.01724 0 -0.4 -1.29706 ASN_15 -2.17666 0.47543 1.9753 0.00668 0.2332 -0.13233 -0.18338 0 0 0 0 0 0 -0.38705 0.00194 1.653 -0.67581 0 -1.09912 -0.30879 VAL_16 -5.47384 1.12294 0.46234 0.01569 0.01879 -0.08668 -0.18837 0 0 0 0 0 0 -0.22768 0.25258 0.10099 -0.28489 0 2.2876 -2.00053 SER_17 -4.39939 0.92949 3.89183 0.0014 0.05746 0.22396 -1.90327 1e-05 0 0 -1.30579 -0.47505 0 -0.37586 0.00146 0.29623 -0.22004 0 0.5 -2.77757 PRO_18 -3.78809 0.53759 1.48273 0.00153 0.02043 -0.11499 -0.35637 0.05468 0 0 0 0 0 0.02707 0.01794 0.1154 -0.45295 0 -0.97642 -3.43146 ASP_19 -3.552 0.34796 3.30941 0.00345 0.2351 0.04362 -1.28168 0 0 0 0 -0.56209 0 -0.15347 0.15117 1.81473 0.03535 0 -2.00354 -1.61197 GLU_20 -5.5112 0.82086 4.00362 0.00504 0.22633 0.1942 -1.55736 0 0 0 -1.30579 -0.47505 0 -0.30708 0.07338 3.51086 -0.18151 0 -2.28137 -2.78507 ILE_21 -8.48493 1.36249 0.94062 0.03066 0.03492 -0.00324 -0.60568 0 0 0 0 0 0 0.01631 0.09551 0.22644 -0.08297 0 2.27849 -4.19138 ARG_22 -7.06618 0.83734 5.09064 0.02566 0.59316 0.10516 -3.22149 0 0 0 0 -1.41014 0 0.18293 0.03144 2.29078 -0.11229 0 -0.4 -3.05299 LYS_23 -4.09368 0.14645 3.00003 0.00637 0.07246 -0.01072 -0.25234 0 0 0 0 0 0 -0.2103 0.00438 1.07993 -0.05894 0 -0.47142 -0.7878 ILE_24 -5.45006 0.49782 1.53873 0.0279 0.0347 -0.00107 -0.33239 0 0 0 0 0 0 -0.02346 0.07755 0.11899 -0.1771 0 2.27849 -1.40989 LEU_25 -8.46089 1.75032 0.67585 0.01887 0.03177 0 -0.55518 0 0 0 0 0 0 -0.16649 0.32502 0.42559 -0.15354 0 1.68043 -4.42823 GLN_26 -5.30064 0.68704 3.88338 0.00589 0.15438 -0.00312 -1.01304 0 0 0 0 -0.71978 0 -0.03612 0.09184 2.5656 -0.06919 0 -1.60738 -1.36114 LYS_27 -2.53497 0.34102 1.9758 0.00649 0.07839 -0.00666 -0.05656 0 0 0 0 0 0 -0.33296 0.00268 0.88674 -0.05062 0 -0.47142 -0.16206 ALA_28 -3.24866 0.31269 1.39534 0.00162 0 -0.11283 -0.37833 0 0 0 0 0 0 -0.18843 0.03783 0 -0.08996 0 1.56209 -0.70865 GLY_29 -1.70761 0.25697 1.39991 4e-05 0 -0.02049 -0.02345 0 0 0 0 0 0 -0.35096 0.00027 0 -0.97542 0 0.8121 -0.60865 ILE_30 -7.00368 1.26976 0.39159 0.0325 0.03817 -0.11405 0.14327 0 0 0 0 0 0 -0.25721 0.00479 0.97044 -0.34666 0 2.27849 -2.59258 SER_31 -3.83163 0.50318 3.47553 0.00157 0.0579 -0.0997 -1.37808 0 0 0 -0.7009 -0.14255 0 -0.37435 0.01727 0.34222 -0.21487 0 0.5 -1.8444 ASP_32 -3.09171 0.25544 2.48032 0.00379 0.23914 0.09285 -0.9121 0 0 0 0 -0.71978 0 -0.14072 0.09397 1.64926 0.05003 0 -2.00354 -2.00305 GLU_33 -3.91405 0.25294 3.6854 0.00962 0.26261 0.26081 -1.42252 0 0 0 0 -0.8351 0 -0.12183 0.00706 2.70708 -0.13824 0 -2.28137 -1.5276 ASP_34 -6.21231 0.4294 5.39549 0.00334 0.23842 -0.0816 -2.9093 0 0 0 -0.7009 -0.4905 0 -0.16544 0.0552 1.97965 0.03646 0 -2.00354 -4.42562 ILE_35 -9.14782 1.90938 1.63474 0.02893 0.0334 -0.0509 -0.55022 0 0 0 0 0 0 0.0629 0.0975 0.15767 -0.16452 0 2.27849 -3.71046 GLU_36 -5.01409 0.2347 4.08583 0.00675 0.6528 0.13837 -2.23204 0 0 0 0 -0.84805 0 -0.33453 0.28863 3.07011 -0.16352 0 -2.28137 -2.39642 ARG_37 -4.65876 0.21226 3.99908 0.01464 0.22929 0.36111 -1.65868 0 0 0 0 -0.8351 0 -0.22939 0.01268 2.0555 -0.10056 0 -0.4 -0.99796 ALA_38 -5.27508 0.51671 1.63226 0.00083 0 0 -0.3832 0 0 0 0 0 0 -0.24398 0.0011 0 -0.20737 0 1.56209 -2.39664 LEU_39 -7.2892 1.07986 1.92072 0.01524 0.02756 -0.2058 -0.37669 0 0 0 0 0 0 -0.10299 0.03065 0.55541 -0.13999 0 1.68043 -2.8048 GLU_40 -4.34367 0.23459 4.03399 0.00693 0.66146 0.02528 -1.31487 0 0 0 0 -0.56886 0 -0.34192 0.08746 2.91523 -0.18782 0 -2.28137 -1.07357 TYR_41 -5.89082 0.83796 2.96315 0.02843 0.19894 -0.01484 -0.77006 0 0 0 0 -0.36664 0 0.04046 0.24242 2.3812 -0.14055 0.02763 0.21729 -0.24543 ILE_42 -6.47186 0.85699 1.10721 0.02601 0.03835 -0.09116 0.03603 0 0 0 -0.39796 0 0 -0.08883 0.42891 0.52313 0.28403 0 2.27849 -1.47065 LYS:CtermProteinFull_43 -3.94588 0.60685 3.89707 0.00645 0.11573 0.02873 -0.81804 0 0 0 0 -0.56886 0 0 0 1.66376 0 0 -0.47142 0.51439 #END_POSE_ENERGIES_TABLE nods_bigger.blueprint.44_try17_pass_20151109075243_0001.pdb AlaCount 4 bb -0.0429517 buried_minus_exposed 3726.21 buried_np 5286.61 buried_over_exposed 3.38797 cavity_volume 10.2793 contact_all 266 contact_core_SASA 266 contact_core_SCN 266 degree 10.3488 exposed_hydrophobics 1560.39 exposed_polars 1570.76 exposed_total 3131.15 fxn_exposed_is_np 0.498345 holes -1.10806 mismatch_probability 0.0956613 pack 0.718509 percent_core_SASA 0.0930016 percent_core_SCN 0.186003 res_count_core_SASA 4 res_count_core_SCN 8 sidechain_neighbors -99.3724 ss_sc 0.794301 unsat_hbond 2
HHH_rd3_0078.pdb
ATOM 1 N THR A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA THR A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C THR A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O THR A 1 1.584 2.261 -0.793 1.00 0.00 O ATOM 5 CB THR A 1 2.012 -0.770 -1.213 1.00 0.00 C ATOM 6 OG1 THR A 1 1.585 -2.137 -1.151 1.00 0.00 O ATOM 7 CG2 THR A 1 3.532 -0.718 -1.229 1.00 0.00 C ATOM 8 1H THR A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 9 2H THR A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 10 3H THR A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 11 HA THR A 1 1.804 -0.492 0.910 1.00 0.00 H ATOM 12 HB THR A 1 1.630 -0.326 -2.132 1.00 0.00 H ATOM 13 HG1 THR A 1 0.835 -2.264 -1.736 1.00 0.00 H ATOM 14 1HG2 THR A 1 3.906 -1.266 -2.093 1.00 0.00 H ATOM 15 2HG2 THR A 1 3.860 0.320 -1.288 1.00 0.00 H ATOM 16 3HG2 THR A 1 3.921 -1.169 -0.317 1.00 0.00 H ATOM 17 N LYS A 2 2.957 1.682 0.894 1.00 0.00 N ATOM 18 CA LYS A 2 3.517 3.019 1.047 1.00 0.00 C ATOM 19 C LYS A 2 4.265 3.450 -0.208 1.00 0.00 C ATOM 20 O LYS A 2 4.117 4.580 -0.673 1.00 0.00 O ATOM 21 CB LYS A 2 4.448 3.074 2.260 1.00 0.00 C ATOM 22 CG LYS A 2 3.737 2.977 3.603 1.00 0.00 C ATOM 23 CD LYS A 2 4.728 3.021 4.757 1.00 0.00 C ATOM 24 CE LYS A 2 4.018 2.940 6.100 1.00 0.00 C ATOM 25 NZ LYS A 2 4.979 2.918 7.237 1.00 0.00 N ATOM 26 H LYS A 2 3.298 0.935 1.482 1.00 0.00 H ATOM 27 HA LYS A 2 2.699 3.719 1.224 1.00 0.00 H ATOM 28 1HB LYS A 2 5.168 2.258 2.203 1.00 0.00 H ATOM 29 2HB LYS A 2 5.010 4.008 2.245 1.00 0.00 H ATOM 30 1HG LYS A 2 3.036 3.807 3.705 1.00 0.00 H ATOM 31 2HG LYS A 2 3.177 2.044 3.652 1.00 0.00 H ATOM 32 1HD LYS A 2 5.423 2.185 4.672 1.00 0.00 H ATOM 33 2HD LYS A 2 5.296 3.950 4.713 1.00 0.00 H ATOM 34 1HE LYS A 2 3.358 3.799 6.215 1.00 0.00 H ATOM 35 2HE LYS A 2 3.411 2.036 6.137 1.00 0.00 H ATOM 36 1HZ LYS A 2 4.469 2.863 8.108 1.00 0.00 H ATOM 37 2HZ LYS A 2 5.584 2.114 7.150 1.00 0.00 H ATOM 38 3HZ LYS A 2 5.535 3.761 7.225 1.00 0.00 H ATOM 39 N GLU A 3 5.070 2.543 -0.752 1.00 0.00 N ATOM 40 CA GLU A 3 5.799 2.808 -1.986 1.00 0.00 C ATOM 41 C GLU A 3 4.852 3.200 -3.112 1.00 0.00 C ATOM 42 O GLU A 3 5.087 4.178 -3.822 1.00 0.00 O ATOM 43 CB GLU A 3 6.615 1.581 -2.397 1.00 0.00 C ATOM 44 CG GLU A 3 7.394 1.749 -3.694 1.00 0.00 C ATOM 45 CD GLU A 3 8.167 0.518 -4.077 1.00 0.00 C ATOM 46 OE1 GLU A 3 8.300 -0.356 -3.254 1.00 0.00 O ATOM 47 OE2 GLU A 3 8.624 0.450 -5.193 1.00 0.00 O ATOM 48 H GLU A 3 5.179 1.647 -0.298 1.00 0.00 H ATOM 49 HA GLU A 3 6.492 3.632 -1.809 1.00 0.00 H ATOM 50 1HB GLU A 3 7.327 1.336 -1.609 1.00 0.00 H ATOM 51 2HB GLU A 3 5.951 0.725 -2.515 1.00 0.00 H ATOM 52 1HG GLU A 3 6.697 1.990 -4.496 1.00 0.00 H ATOM 53 2HG GLU A 3 8.083 2.586 -3.586 1.00 0.00 H ATOM 54 N GLU A 4 3.780 2.432 -3.272 1.00 0.00 N ATOM 55 CA GLU A 4 2.780 2.714 -4.295 1.00 0.00 C ATOM 56 C GLU A 4 2.255 4.139 -4.174 1.00 0.00 C ATOM 57 O GLU A 4 2.212 4.879 -5.157 1.00 0.00 O ATOM 58 CB GLU A 4 1.619 1.722 -4.193 1.00 0.00 C ATOM 59 CG GLU A 4 0.512 1.943 -5.215 1.00 0.00 C ATOM 60 CD GLU A 4 -0.628 0.976 -5.061 1.00 0.00 C ATOM 61 OE1 GLU A 4 -0.487 0.034 -4.318 1.00 0.00 O ATOM 62 OE2 GLU A 4 -1.642 1.178 -5.687 1.00 0.00 O ATOM 63 H GLU A 4 3.654 1.631 -2.668 1.00 0.00 H ATOM 64 HA GLU A 4 3.244 2.593 -5.274 1.00 0.00 H ATOM 65 1HB GLU A 4 1.994 0.707 -4.322 1.00 0.00 H ATOM 66 2HB GLU A 4 1.174 1.783 -3.200 1.00 0.00 H ATOM 67 1HG GLU A 4 0.129 2.958 -5.106 1.00 0.00 H ATOM 68 2HG GLU A 4 0.931 1.848 -6.215 1.00 0.00 H ATOM 69 N ALA A 5 1.857 4.517 -2.965 1.00 0.00 N ATOM 70 CA ALA A 5 1.323 5.851 -2.716 1.00 0.00 C ATOM 71 C ALA A 5 2.326 6.928 -3.106 1.00 0.00 C ATOM 72 O ALA A 5 1.963 7.943 -3.699 1.00 0.00 O ATOM 73 CB ALA A 5 0.929 5.999 -1.254 1.00 0.00 C ATOM 74 H ALA A 5 1.926 3.864 -2.197 1.00 0.00 H ATOM 75 HA ALA A 5 0.421 5.979 -3.316 1.00 0.00 H ATOM 76 1HB ALA A 5 0.531 7.000 -1.084 1.00 0.00 H ATOM 77 2HB ALA A 5 0.167 5.260 -1.005 1.00 0.00 H ATOM 78 3HB ALA A 5 1.803 5.845 -0.624 1.00 0.00 H ATOM 79 N GLU A 6 3.592 6.700 -2.770 1.00 0.00 N ATOM 80 CA GLU A 6 4.658 7.630 -3.124 1.00 0.00 C ATOM 81 C GLU A 6 4.783 7.775 -4.635 1.00 0.00 C ATOM 82 O GLU A 6 4.917 8.884 -5.153 1.00 0.00 O ATOM 83 CB GLU A 6 5.990 7.162 -2.535 1.00 0.00 C ATOM 84 CG GLU A 6 7.152 8.118 -2.771 1.00 0.00 C ATOM 85 CD GLU A 6 8.428 7.659 -2.122 1.00 0.00 C ATOM 86 OE1 GLU A 6 8.421 6.616 -1.513 1.00 0.00 O ATOM 87 OE2 GLU A 6 9.411 8.352 -2.236 1.00 0.00 O ATOM 88 H GLU A 6 3.821 5.861 -2.256 1.00 0.00 H ATOM 89 HA GLU A 6 4.422 8.605 -2.697 1.00 0.00 H ATOM 90 1HB GLU A 6 5.884 7.024 -1.459 1.00 0.00 H ATOM 91 2HB GLU A 6 6.259 6.197 -2.964 1.00 0.00 H ATOM 92 1HG GLU A 6 7.317 8.214 -3.843 1.00 0.00 H ATOM 93 2HG GLU A 6 6.885 9.100 -2.382 1.00 0.00 H ATOM 94 N ARG A 7 4.737 6.649 -5.339 1.00 0.00 N ATOM 95 CA ARG A 7 4.824 6.650 -6.794 1.00 0.00 C ATOM 96 C ARG A 7 3.623 7.350 -7.417 1.00 0.00 C ATOM 97 O ARG A 7 3.758 8.072 -8.405 1.00 0.00 O ATOM 98 CB ARG A 7 4.911 5.227 -7.326 1.00 0.00 C ATOM 99 CG ARG A 7 6.229 4.521 -7.053 1.00 0.00 C ATOM 100 CD ARG A 7 6.250 3.154 -7.633 1.00 0.00 C ATOM 101 NE ARG A 7 7.485 2.452 -7.322 1.00 0.00 N ATOM 102 CZ ARG A 7 8.636 2.585 -8.009 1.00 0.00 C ATOM 103 NH1 ARG A 7 8.694 3.396 -9.042 1.00 0.00 N ATOM 104 NH2 ARG A 7 9.706 1.901 -7.645 1.00 0.00 N ATOM 105 H ARG A 7 4.639 5.769 -4.852 1.00 0.00 H ATOM 106 HA ARG A 7 5.730 7.183 -7.086 1.00 0.00 H ATOM 107 1HB ARG A 7 4.117 4.626 -6.886 1.00 0.00 H ATOM 108 2HB ARG A 7 4.757 5.233 -8.406 1.00 0.00 H ATOM 109 1HG ARG A 7 7.046 5.093 -7.493 1.00 0.00 H ATOM 110 2HG ARG A 7 6.381 4.439 -5.976 1.00 0.00 H ATOM 111 1HD ARG A 7 5.418 2.576 -7.233 1.00 0.00 H ATOM 112 2HD ARG A 7 6.159 3.218 -8.717 1.00 0.00 H ATOM 113 HE ARG A 7 7.479 1.818 -6.533 1.00 0.00 H ATOM 114 1HH1 ARG A 7 7.875 3.919 -9.320 1.00 0.00 H ATOM 115 2HH1 ARG A 7 9.556 3.496 -9.558 1.00 0.00 H ATOM 116 1HH2 ARG A 7 9.661 1.277 -6.851 1.00 0.00 H ATOM 117 2HH2 ARG A 7 10.568 2.001 -8.160 1.00 0.00 H ATOM 118 N ARG A 8 2.450 7.133 -6.834 1.00 0.00 N ATOM 119 CA ARG A 8 1.237 7.812 -7.275 1.00 0.00 C ATOM 120 C ARG A 8 1.315 9.309 -7.004 1.00 0.00 C ATOM 121 O ARG A 8 0.796 10.117 -7.774 1.00 0.00 O ATOM 122 CB ARG A 8 0.016 7.236 -6.575 1.00 0.00 C ATOM 123 CG ARG A 8 -0.389 5.844 -7.036 1.00 0.00 C ATOM 124 CD ARG A 8 -1.637 5.387 -6.373 1.00 0.00 C ATOM 125 NE ARG A 8 -1.992 4.032 -6.762 1.00 0.00 N ATOM 126 CZ ARG A 8 -2.644 3.707 -7.896 1.00 0.00 C ATOM 127 NH1 ARG A 8 -3.003 4.648 -8.740 1.00 0.00 N ATOM 128 NH2 ARG A 8 -2.921 2.442 -8.159 1.00 0.00 N ATOM 129 H ARG A 8 2.396 6.480 -6.065 1.00 0.00 H ATOM 130 HA ARG A 8 1.125 7.656 -8.349 1.00 0.00 H ATOM 131 1HB ARG A 8 0.201 7.186 -5.503 1.00 0.00 H ATOM 132 2HB ARG A 8 -0.838 7.896 -6.730 1.00 0.00 H ATOM 133 1HG ARG A 8 -0.556 5.853 -8.114 1.00 0.00 H ATOM 134 2HG ARG A 8 0.406 5.136 -6.798 1.00 0.00 H ATOM 135 1HD ARG A 8 -1.503 5.408 -5.292 1.00 0.00 H ATOM 136 2HD ARG A 8 -2.458 6.047 -6.649 1.00 0.00 H ATOM 137 HE ARG A 8 -1.732 3.280 -6.137 1.00 0.00 H ATOM 138 1HH1 ARG A 8 -2.791 5.615 -8.539 1.00 0.00 H ATOM 139 2HH1 ARG A 8 -3.491 4.405 -9.590 1.00 0.00 H ATOM 140 1HH2 ARG A 8 -2.645 1.718 -7.510 1.00 0.00 H ATOM 141 2HH2 ARG A 8 -3.409 2.199 -9.008 1.00 0.00 H ATOM 142 N ALA A 9 1.966 9.673 -5.904 1.00 0.00 N ATOM 143 CA ALA A 9 2.168 11.076 -5.563 1.00 0.00 C ATOM 144 C ALA A 9 2.969 11.796 -6.641 1.00 0.00 C ATOM 145 O ALA A 9 2.680 12.943 -6.980 1.00 0.00 O ATOM 146 CB ALA A 9 2.866 11.198 -4.216 1.00 0.00 C ATOM 147 H ALA A 9 2.330 8.960 -5.289 1.00 0.00 H ATOM 148 HA ALA A 9 1.192 11.555 -5.474 1.00 0.00 H ATOM 149 1HB ALA A 9 3.010 12.252 -3.975 1.00 0.00 H ATOM 150 2HB ALA A 9 2.254 10.730 -3.445 1.00 0.00 H ATOM 151 3HB ALA A 9 3.834 10.702 -4.262 1.00 0.00 H ATOM 152 N GLU A 10 3.976 11.114 -7.177 1.00 0.00 N ATOM 153 CA GLU A 10 4.769 11.655 -8.274 1.00 0.00 C ATOM 154 C GLU A 10 3.882 12.081 -9.437 1.00 0.00 C ATOM 155 O GLU A 10 4.000 13.196 -9.945 1.00 0.00 O ATOM 156 CB GLU A 10 5.793 10.623 -8.752 1.00 0.00 C ATOM 157 CG GLU A 10 6.690 11.105 -9.883 1.00 0.00 C ATOM 158 CD GLU A 10 7.649 10.049 -10.359 1.00 0.00 C ATOM 159 OE1 GLU A 10 7.799 9.061 -9.682 1.00 0.00 O ATOM 160 OE2 GLU A 10 8.233 10.232 -11.401 1.00 0.00 O ATOM 161 H GLU A 10 4.198 10.198 -6.815 1.00 0.00 H ATOM 162 HA GLU A 10 5.312 12.529 -7.911 1.00 0.00 H ATOM 163 1HB GLU A 10 6.433 10.333 -7.918 1.00 0.00 H ATOM 164 2HB GLU A 10 5.275 9.728 -9.094 1.00 0.00 H ATOM 165 1HG GLU A 10 6.066 11.416 -10.720 1.00 0.00 H ATOM 166 2HG GLU A 10 7.253 11.973 -9.542 1.00 0.00 H ATOM 167 N GLU A 11 2.994 11.185 -9.856 1.00 0.00 N ATOM 168 CA GLU A 11 2.047 11.486 -10.923 1.00 0.00 C ATOM 169 C GLU A 11 1.183 12.689 -10.569 1.00 0.00 C ATOM 170 O GLU A 11 0.935 13.556 -11.407 1.00 0.00 O ATOM 171 CB GLU A 11 1.159 10.273 -11.206 1.00 0.00 C ATOM 172 CG GLU A 11 1.883 9.100 -11.852 1.00 0.00 C ATOM 173 CD GLU A 11 0.991 7.909 -12.067 1.00 0.00 C ATOM 174 OE1 GLU A 11 -0.122 7.932 -11.600 1.00 0.00 O ATOM 175 OE2 GLU A 11 1.424 6.975 -12.700 1.00 0.00 O ATOM 176 H GLU A 11 2.975 10.272 -9.424 1.00 0.00 H ATOM 177 HA GLU A 11 2.609 11.714 -11.830 1.00 0.00 H ATOM 178 1HB GLU A 11 0.717 9.920 -10.273 1.00 0.00 H ATOM 179 2HB GLU A 11 0.342 10.566 -11.865 1.00 0.00 H ATOM 180 1HG GLU A 11 2.283 9.419 -12.814 1.00 0.00 H ATOM 181 2HG GLU A 11 2.721 8.811 -11.219 1.00 0.00 H ATOM 182 N ALA A 12 0.726 12.737 -9.322 1.00 0.00 N ATOM 183 CA ALA A 12 -0.078 13.855 -8.843 1.00 0.00 C ATOM 184 C ALA A 12 0.681 15.170 -8.965 1.00 0.00 C ATOM 185 O ALA A 12 0.125 16.181 -9.396 1.00 0.00 O ATOM 186 CB ALA A 12 -0.503 13.622 -7.401 1.00 0.00 C ATOM 187 H ALA A 12 0.940 11.978 -8.691 1.00 0.00 H ATOM 188 HA ALA A 12 -0.983 13.916 -9.448 1.00 0.00 H ATOM 189 1HB ALA A 12 -1.102 14.465 -7.057 1.00 0.00 H ATOM 190 2HB ALA A 12 -1.094 12.708 -7.339 1.00 0.00 H ATOM 191 3HB ALA A 12 0.381 13.525 -6.772 1.00 0.00 H ATOM 192 N VAL A 13 1.953 15.151 -8.583 1.00 0.00 N ATOM 193 CA VAL A 13 2.807 16.326 -8.704 1.00 0.00 C ATOM 194 C VAL A 13 2.938 16.764 -10.158 1.00 0.00 C ATOM 195 O VAL A 13 2.831 17.950 -10.471 1.00 0.00 O ATOM 196 CB VAL A 13 4.207 16.032 -8.132 1.00 0.00 C ATOM 197 CG1 VAL A 13 5.159 17.178 -8.438 1.00 0.00 C ATOM 198 CG2 VAL A 13 4.113 15.793 -6.633 1.00 0.00 C ATOM 199 H VAL A 13 2.339 14.300 -8.198 1.00 0.00 H ATOM 200 HA VAL A 13 2.360 17.140 -8.133 1.00 0.00 H ATOM 201 HB VAL A 13 4.608 15.142 -8.618 1.00 0.00 H ATOM 202 1HG1 VAL A 13 6.144 16.953 -8.027 1.00 0.00 H ATOM 203 2HG1 VAL A 13 5.239 17.307 -9.517 1.00 0.00 H ATOM 204 3HG1 VAL A 13 4.781 18.096 -7.988 1.00 0.00 H ATOM 205 1HG2 VAL A 13 5.106 15.585 -6.235 1.00 0.00 H ATOM 206 2HG2 VAL A 13 3.707 16.681 -6.148 1.00 0.00 H ATOM 207 3HG2 VAL A 13 3.459 14.943 -6.440 1.00 0.00 H ATOM 208 N ARG A 14 3.170 15.801 -11.042 1.00 0.00 N ATOM 209 CA ARG A 14 3.332 16.087 -12.463 1.00 0.00 C ATOM 210 C ARG A 14 2.034 16.600 -13.073 1.00 0.00 C ATOM 211 O ARG A 14 2.044 17.268 -14.106 1.00 0.00 O ATOM 212 CB ARG A 14 3.784 14.842 -13.212 1.00 0.00 C ATOM 213 CG ARG A 14 5.193 14.374 -12.883 1.00 0.00 C ATOM 214 CD ARG A 14 5.571 13.174 -13.672 1.00 0.00 C ATOM 215 NE ARG A 14 6.858 12.636 -13.259 1.00 0.00 N ATOM 216 CZ ARG A 14 8.051 13.123 -13.650 1.00 0.00 C ATOM 217 NH1 ARG A 14 8.106 14.155 -14.463 1.00 0.00 N ATOM 218 NH2 ARG A 14 9.167 12.562 -13.218 1.00 0.00 N ATOM 219 H ARG A 14 3.236 14.845 -10.722 1.00 0.00 H ATOM 220 HA ARG A 14 4.099 16.854 -12.576 1.00 0.00 H ATOM 221 1HB ARG A 14 3.104 14.020 -12.993 1.00 0.00 H ATOM 222 2HB ARG A 14 3.740 15.027 -14.285 1.00 0.00 H ATOM 223 1HG ARG A 14 5.903 15.170 -13.108 1.00 0.00 H ATOM 224 2HG ARG A 14 5.255 14.121 -11.824 1.00 0.00 H ATOM 225 1HD ARG A 14 4.818 12.398 -13.538 1.00 0.00 H ATOM 226 2HD ARG A 14 5.635 13.438 -14.727 1.00 0.00 H ATOM 227 HE ARG A 14 6.856 11.841 -12.634 1.00 0.00 H ATOM 228 1HH1 ARG A 14 7.253 14.583 -14.793 1.00 0.00 H ATOM 229 2HH1 ARG A 14 9.001 14.519 -14.756 1.00 0.00 H ATOM 230 1HH2 ARG A 14 9.125 11.768 -12.593 1.00 0.00 H ATOM 231 2HH2 ARG A 14 10.062 12.926 -13.511 1.00 0.00 H ATOM 232 N ASN A 15 0.917 16.282 -12.427 1.00 0.00 N ATOM 233 CA ASN A 15 -0.390 16.735 -12.889 1.00 0.00 C ATOM 234 C ASN A 15 -0.799 18.030 -12.199 1.00 0.00 C ATOM 235 O ASN A 15 -1.899 18.539 -12.415 1.00 0.00 O ATOM 236 CB ASN A 15 -1.437 15.658 -12.668 1.00 0.00 C ATOM 237 CG ASN A 15 -1.233 14.464 -13.558 1.00 0.00 C ATOM 238 OD1 ASN A 15 -0.819 14.599 -14.715 1.00 0.00 O ATOM 239 ND2 ASN A 15 -1.517 13.296 -13.041 1.00 0.00 N ATOM 240 H ASN A 15 0.975 15.713 -11.595 1.00 0.00 H ATOM 241 HA ASN A 15 -0.330 16.928 -13.960 1.00 0.00 H ATOM 242 1HB ASN A 15 -1.409 15.331 -11.628 1.00 0.00 H ATOM 243 2HB ASN A 15 -2.428 16.071 -12.855 1.00 0.00 H ATOM 244 1HD2 ASN A 15 -1.401 12.465 -13.587 1.00 0.00 H ATOM 245 2HD2 ASN A 15 -1.850 13.233 -12.100 1.00 0.00 H ATOM 246 N GLY A 16 0.093 18.560 -11.369 1.00 0.00 N ATOM 247 CA GLY A 16 -0.145 19.834 -10.701 1.00 0.00 C ATOM 248 C GLY A 16 -0.892 19.636 -9.388 1.00 0.00 C ATOM 249 O GLY A 16 -1.109 20.587 -8.637 1.00 0.00 O ATOM 250 H GLY A 16 0.958 18.068 -11.197 1.00 0.00 H ATOM 251 1HA GLY A 16 0.808 20.328 -10.510 1.00 0.00 H ATOM 252 2HA GLY A 16 -0.721 20.486 -11.356 1.00 0.00 H ATOM 253 N ASN A 17 -1.283 18.395 -9.117 1.00 0.00 N ATOM 254 CA ASN A 17 -2.095 18.087 -7.946 1.00 0.00 C ATOM 255 C ASN A 17 -1.229 17.907 -6.706 1.00 0.00 C ATOM 256 O ASN A 17 -1.098 16.800 -6.183 1.00 0.00 O ATOM 257 CB ASN A 17 -2.938 16.849 -8.192 1.00 0.00 C ATOM 258 CG ASN A 17 -3.947 17.046 -9.290 1.00 0.00 C ATOM 259 OD1 ASN A 17 -4.608 18.088 -9.363 1.00 0.00 O ATOM 260 ND2 ASN A 17 -4.077 16.064 -10.146 1.00 0.00 N ATOM 261 H ASN A 17 -1.010 17.647 -9.737 1.00 0.00 H ATOM 262 HA ASN A 17 -2.762 18.929 -7.756 1.00 0.00 H ATOM 263 1HB ASN A 17 -2.289 16.013 -8.456 1.00 0.00 H ATOM 264 2HB ASN A 17 -3.464 16.578 -7.276 1.00 0.00 H ATOM 265 1HD2 ASN A 17 -4.733 16.140 -10.897 1.00 0.00 H ATOM 266 2HD2 ASN A 17 -3.522 15.239 -10.048 1.00 0.00 H ATOM 267 N ASP A 18 -0.640 19.003 -6.239 1.00 0.00 N ATOM 268 CA ASP A 18 0.256 18.960 -5.089 1.00 0.00 C ATOM 269 C ASP A 18 -0.477 18.495 -3.837 1.00 0.00 C ATOM 270 O ASP A 18 0.083 17.776 -3.009 1.00 0.00 O ATOM 271 CB ASP A 18 0.879 20.336 -4.842 1.00 0.00 C ATOM 272 CG ASP A 18 1.907 20.719 -5.898 1.00 0.00 C ATOM 273 OD1 ASP A 18 2.317 19.858 -6.640 1.00 0.00 O ATOM 274 OD2 ASP A 18 2.272 21.869 -5.952 1.00 0.00 O ATOM 275 H ASP A 18 -0.817 19.888 -6.692 1.00 0.00 H ATOM 276 HA ASP A 18 1.061 18.256 -5.304 1.00 0.00 H ATOM 277 1HB ASP A 18 0.094 21.093 -4.828 1.00 0.00 H ATOM 278 2HB ASP A 18 1.362 20.347 -3.865 1.00 0.00 H ATOM 279 N ASP A 19 -1.732 18.910 -3.704 1.00 0.00 N ATOM 280 CA ASP A 19 -2.543 18.540 -2.550 1.00 0.00 C ATOM 281 C ASP A 19 -2.779 17.036 -2.502 1.00 0.00 C ATOM 282 O ASP A 19 -2.642 16.410 -1.451 1.00 0.00 O ATOM 283 CB ASP A 19 -3.886 19.273 -2.581 1.00 0.00 C ATOM 284 CG ASP A 19 -3.758 20.758 -2.270 1.00 0.00 C ATOM 285 OD1 ASP A 19 -2.781 21.138 -1.671 1.00 0.00 O ATOM 286 OD2 ASP A 19 -4.640 21.499 -2.636 1.00 0.00 O ATOM 287 H ASP A 19 -2.135 19.496 -4.421 1.00 0.00 H ATOM 288 HA ASP A 19 -2.013 18.840 -1.645 1.00 0.00 H ATOM 289 1HB ASP A 19 -4.339 19.160 -3.566 1.00 0.00 H ATOM 290 2HB ASP A 19 -4.564 18.822 -1.856 1.00 0.00 H ATOM 291 N LYS A 20 -3.135 16.461 -3.645 1.00 0.00 N ATOM 292 CA LYS A 20 -3.293 15.016 -3.760 1.00 0.00 C ATOM 293 C LYS A 20 -1.996 14.292 -3.427 1.00 0.00 C ATOM 294 O LYS A 20 -1.996 13.306 -2.689 1.00 0.00 O ATOM 295 CB LYS A 20 -3.761 14.639 -5.166 1.00 0.00 C ATOM 296 CG LYS A 20 -3.973 13.145 -5.379 1.00 0.00 C ATOM 297 CD LYS A 20 -4.476 12.853 -6.785 1.00 0.00 C ATOM 298 CE LYS A 20 -4.638 11.358 -7.016 1.00 0.00 C ATOM 299 NZ LYS A 20 -5.151 11.058 -8.380 1.00 0.00 N ATOM 300 H LYS A 20 -3.300 17.040 -4.456 1.00 0.00 H ATOM 301 HA LYS A 20 -4.063 14.696 -3.057 1.00 0.00 H ATOM 302 1HB LYS A 20 -4.701 15.145 -5.385 1.00 0.00 H ATOM 303 2HB LYS A 20 -3.028 14.980 -5.897 1.00 0.00 H ATOM 304 1HG LYS A 20 -3.031 12.618 -5.222 1.00 0.00 H ATOM 305 2HG LYS A 20 -4.700 12.775 -4.657 1.00 0.00 H ATOM 306 1HD LYS A 20 -5.439 13.342 -6.935 1.00 0.00 H ATOM 307 2HD LYS A 20 -3.769 13.249 -7.514 1.00 0.00 H ATOM 308 1HE LYS A 20 -3.676 10.864 -6.886 1.00 0.00 H ATOM 309 2HE LYS A 20 -5.333 10.950 -6.283 1.00 0.00 H ATOM 310 1HZ LYS A 20 -5.244 10.059 -8.493 1.00 0.00 H ATOM 311 2HZ LYS A 20 -6.052 11.497 -8.506 1.00 0.00 H ATOM 312 3HZ LYS A 20 -4.504 11.416 -9.069 1.00 0.00 H ATOM 313 N ALA A 21 -0.891 14.786 -3.975 1.00 0.00 N ATOM 314 CA ALA A 21 0.423 14.219 -3.694 1.00 0.00 C ATOM 315 C ALA A 21 0.693 14.170 -2.196 1.00 0.00 C ATOM 316 O ALA A 21 1.076 13.131 -1.658 1.00 0.00 O ATOM 317 CB ALA A 21 1.507 15.019 -4.401 1.00 0.00 C ATOM 318 H ALA A 21 -0.963 15.574 -4.602 1.00 0.00 H ATOM 319 HA ALA A 21 0.453 13.203 -4.088 1.00 0.00 H ATOM 320 1HB ALA A 21 2.482 14.584 -4.182 1.00 0.00 H ATOM 321 2HB ALA A 21 1.333 14.996 -5.477 1.00 0.00 H ATOM 322 3HB ALA A 21 1.484 16.050 -4.052 1.00 0.00 H ATOM 323 N ARG A 22 0.491 15.300 -1.526 1.00 0.00 N ATOM 324 CA ARG A 22 0.724 15.391 -0.089 1.00 0.00 C ATOM 325 C ARG A 22 -0.045 14.312 0.662 1.00 0.00 C ATOM 326 O ARG A 22 0.509 13.625 1.520 1.00 0.00 O ATOM 327 CB ARG A 22 0.314 16.760 0.433 1.00 0.00 C ATOM 328 CG ARG A 22 0.620 17.001 1.903 1.00 0.00 C ATOM 329 CD ARG A 22 0.192 18.355 2.338 1.00 0.00 C ATOM 330 NE ARG A 22 0.865 19.404 1.588 1.00 0.00 N ATOM 331 CZ ARG A 22 0.272 20.185 0.665 1.00 0.00 C ATOM 332 NH1 ARG A 22 -1.003 20.025 0.389 1.00 0.00 N ATOM 333 NH2 ARG A 22 0.972 21.113 0.036 1.00 0.00 N ATOM 334 H ARG A 22 0.169 16.117 -2.025 1.00 0.00 H ATOM 335 HA ARG A 22 1.790 15.256 0.098 1.00 0.00 H ATOM 336 1HB ARG A 22 0.820 17.535 -0.140 1.00 0.00 H ATOM 337 2HB ARG A 22 -0.758 16.897 0.293 1.00 0.00 H ATOM 338 1HG ARG A 22 0.094 16.264 2.510 1.00 0.00 H ATOM 339 2HG ARG A 22 1.694 16.910 2.071 1.00 0.00 H ATOM 340 1HD ARG A 22 -0.882 18.464 2.187 1.00 0.00 H ATOM 341 2HD ARG A 22 0.425 18.488 3.394 1.00 0.00 H ATOM 342 HE ARG A 22 1.847 19.557 1.773 1.00 0.00 H ATOM 343 1HH1 ARG A 22 -1.539 19.315 0.870 1.00 0.00 H ATOM 344 2HH1 ARG A 22 -1.448 20.610 -0.303 1.00 0.00 H ATOM 345 1HH2 ARG A 22 1.953 21.237 0.248 1.00 0.00 H ATOM 346 2HH2 ARG A 22 0.528 21.699 -0.655 1.00 0.00 H ATOM 347 N LYS A 23 -1.325 14.169 0.335 1.00 0.00 N ATOM 348 CA LYS A 23 -2.178 13.186 0.993 1.00 0.00 C ATOM 349 C LYS A 23 -1.654 11.771 0.780 1.00 0.00 C ATOM 350 O LYS A 23 -1.638 10.959 1.705 1.00 0.00 O ATOM 351 CB LYS A 23 -3.616 13.297 0.482 1.00 0.00 C ATOM 352 CG LYS A 23 -4.344 14.560 0.923 1.00 0.00 C ATOM 353 CD LYS A 23 -5.745 14.623 0.335 1.00 0.00 C ATOM 354 CE LYS A 23 -6.462 15.902 0.746 1.00 0.00 C ATOM 355 NZ LYS A 23 -7.823 15.992 0.151 1.00 0.00 N ATOM 356 H LYS A 23 -1.717 14.755 -0.387 1.00 0.00 H ATOM 357 HA LYS A 23 -2.188 13.397 2.063 1.00 0.00 H ATOM 358 1HB LYS A 23 -3.617 13.273 -0.608 1.00 0.00 H ATOM 359 2HB LYS A 23 -4.193 12.440 0.830 1.00 0.00 H ATOM 360 1HG LYS A 23 -4.414 14.579 2.011 1.00 0.00 H ATOM 361 2HG LYS A 23 -3.783 15.436 0.598 1.00 0.00 H ATOM 362 1HD LYS A 23 -5.686 14.583 -0.753 1.00 0.00 H ATOM 363 2HD LYS A 23 -6.324 13.767 0.682 1.00 0.00 H ATOM 364 1HE LYS A 23 -6.549 15.937 1.831 1.00 0.00 H ATOM 365 2HE LYS A 23 -5.880 16.764 0.422 1.00 0.00 H ATOM 366 1HZ LYS A 23 -8.263 16.852 0.447 1.00 0.00 H ATOM 367 2HZ LYS A 23 -7.752 15.980 -0.857 1.00 0.00 H ATOM 368 3HZ LYS A 23 -8.378 15.207 0.459 1.00 0.00 H ATOM 369 N LEU A 24 -1.227 11.483 -0.445 1.00 0.00 N ATOM 370 CA LEU A 24 -0.654 10.182 -0.769 1.00 0.00 C ATOM 371 C LEU A 24 0.653 9.953 -0.022 1.00 0.00 C ATOM 372 O LEU A 24 0.936 8.843 0.429 1.00 0.00 O ATOM 373 CB LEU A 24 -0.414 10.070 -2.280 1.00 0.00 C ATOM 374 CG LEU A 24 -1.674 9.972 -3.149 1.00 0.00 C ATOM 375 CD1 LEU A 24 -1.302 10.184 -4.610 1.00 0.00 C ATOM 376 CD2 LEU A 24 -2.328 8.613 -2.943 1.00 0.00 C ATOM 377 H LEU A 24 -1.300 12.182 -1.169 1.00 0.00 H ATOM 378 HA LEU A 24 -1.365 9.408 -0.475 1.00 0.00 H ATOM 379 1HB LEU A 24 0.147 10.945 -2.608 1.00 0.00 H ATOM 380 2HB LEU A 24 0.191 9.184 -2.471 1.00 0.00 H ATOM 381 HG LEU A 24 -2.374 10.758 -2.865 1.00 0.00 H ATOM 382 1HD1 LEU A 24 -2.198 10.114 -5.227 1.00 0.00 H ATOM 383 2HD1 LEU A 24 -0.855 11.171 -4.732 1.00 0.00 H ATOM 384 3HD1 LEU A 24 -0.589 9.421 -4.918 1.00 0.00 H ATOM 385 1HD2 LEU A 24 -3.224 8.543 -3.560 1.00 0.00 H ATOM 386 2HD2 LEU A 24 -1.629 7.826 -3.228 1.00 0.00 H ATOM 387 3HD2 LEU A 24 -2.599 8.495 -1.894 1.00 0.00 H ATOM 388 N LEU A 25 1.449 11.010 0.105 1.00 0.00 N ATOM 389 CA LEU A 25 2.728 10.927 0.799 1.00 0.00 C ATOM 390 C LEU A 25 2.531 10.701 2.292 1.00 0.00 C ATOM 391 O LEU A 25 3.311 9.996 2.931 1.00 0.00 O ATOM 392 CB LEU A 25 3.538 12.210 0.573 1.00 0.00 C ATOM 393 CG LEU A 25 4.014 12.451 -0.866 1.00 0.00 C ATOM 394 CD1 LEU A 25 4.539 13.874 -0.995 1.00 0.00 C ATOM 395 CD2 LEU A 25 5.090 11.436 -1.222 1.00 0.00 C ATOM 396 H LEU A 25 1.159 11.894 -0.290 1.00 0.00 H ATOM 397 HA LEU A 25 3.290 10.087 0.389 1.00 0.00 H ATOM 398 1HB LEU A 25 2.928 13.062 0.867 1.00 0.00 H ATOM 399 2HB LEU A 25 4.419 12.182 1.213 1.00 0.00 H ATOM 400 HG LEU A 25 3.172 12.343 -1.550 1.00 0.00 H ATOM 401 1HD1 LEU A 25 4.877 14.046 -2.017 1.00 0.00 H ATOM 402 2HD1 LEU A 25 3.744 14.579 -0.754 1.00 0.00 H ATOM 403 3HD1 LEU A 25 5.373 14.018 -0.309 1.00 0.00 H ATOM 404 1HD2 LEU A 25 5.428 11.607 -2.244 1.00 0.00 H ATOM 405 2HD2 LEU A 25 5.933 11.545 -0.538 1.00 0.00 H ATOM 406 3HD2 LEU A 25 4.682 10.429 -1.138 1.00 0.00 H ATOM 407 N GLU A 26 1.482 11.303 2.843 1.00 0.00 N ATOM 408 CA GLU A 26 1.085 11.041 4.222 1.00 0.00 C ATOM 409 C GLU A 26 0.727 9.574 4.422 1.00 0.00 C ATOM 410 O GLU A 26 1.081 8.972 5.436 1.00 0.00 O ATOM 411 CB GLU A 26 -0.102 11.924 4.612 1.00 0.00 C ATOM 412 CG GLU A 26 0.238 13.399 4.773 1.00 0.00 C ATOM 413 CD GLU A 26 -0.978 14.262 4.965 1.00 0.00 C ATOM 414 OE1 GLU A 26 -2.065 13.737 4.944 1.00 0.00 O ATOM 415 OE2 GLU A 26 -0.820 15.448 5.133 1.00 0.00 O ATOM 416 H GLU A 26 0.947 11.959 2.294 1.00 0.00 H ATOM 417 HA GLU A 26 1.922 11.289 4.876 1.00 0.00 H ATOM 418 1HB GLU A 26 -0.882 11.841 3.855 1.00 0.00 H ATOM 419 2HB GLU A 26 -0.522 11.573 5.554 1.00 0.00 H ATOM 420 1HG GLU A 26 0.894 13.518 5.635 1.00 0.00 H ATOM 421 2HG GLU A 26 0.780 13.735 3.890 1.00 0.00 H ATOM 422 N LYS A 27 0.023 9.004 3.450 1.00 0.00 N ATOM 423 CA LYS A 27 -0.260 7.574 3.446 1.00 0.00 C ATOM 424 C LYS A 27 1.021 6.759 3.319 1.00 0.00 C ATOM 425 O LYS A 27 1.095 5.623 3.787 1.00 0.00 O ATOM 426 CB LYS A 27 -1.222 7.221 2.311 1.00 0.00 C ATOM 427 CG LYS A 27 -2.638 7.747 2.500 1.00 0.00 C ATOM 428 CD LYS A 27 -3.522 7.397 1.312 1.00 0.00 C ATOM 429 CE LYS A 27 -4.936 7.927 1.497 1.00 0.00 C ATOM 430 NZ LYS A 27 -5.808 7.602 0.337 1.00 0.00 N ATOM 431 H LYS A 27 -0.325 9.576 2.694 1.00 0.00 H ATOM 432 HA LYS A 27 -0.747 7.315 4.387 1.00 0.00 H ATOM 433 1HB LYS A 27 -0.839 7.621 1.372 1.00 0.00 H ATOM 434 2HB LYS A 27 -1.279 6.137 2.206 1.00 0.00 H ATOM 435 1HG LYS A 27 -3.070 7.314 3.404 1.00 0.00 H ATOM 436 2HG LYS A 27 -2.611 8.830 2.616 1.00 0.00 H ATOM 437 1HD LYS A 27 -3.097 7.827 0.404 1.00 0.00 H ATOM 438 2HD LYS A 27 -3.563 6.314 1.196 1.00 0.00 H ATOM 439 1HE LYS A 27 -5.372 7.494 2.397 1.00 0.00 H ATOM 440 2HE LYS A 27 -4.905 9.010 1.620 1.00 0.00 H ATOM 441 1HZ LYS A 27 -6.735 7.970 0.498 1.00 0.00 H ATOM 442 2HZ LYS A 27 -5.423 8.015 -0.501 1.00 0.00 H ATOM 443 3HZ LYS A 27 -5.860 6.600 0.224 1.00 0.00 H ATOM 444 N ALA A 28 2.029 7.347 2.684 1.00 0.00 N ATOM 445 CA ALA A 28 3.319 6.687 2.517 1.00 0.00 C ATOM 446 C ALA A 28 4.180 6.838 3.764 1.00 0.00 C ATOM 447 O ALA A 28 5.323 6.381 3.800 1.00 0.00 O ATOM 448 CB ALA A 28 4.045 7.243 1.301 1.00 0.00 C ATOM 449 H ALA A 28 1.899 8.274 2.307 1.00 0.00 H ATOM 450 HA ALA A 28 3.137 5.623 2.364 1.00 0.00 H ATOM 451 1HB ALA A 28 5.006 6.740 1.190 1.00 0.00 H ATOM 452 2HB ALA A 28 3.443 7.075 0.409 1.00 0.00 H ATOM 453 3HB ALA A 28 4.208 8.311 1.433 1.00 0.00 H ATOM 454 N GLY A 29 3.626 7.482 4.786 1.00 0.00 N ATOM 455 CA GLY A 29 4.326 7.654 6.053 1.00 0.00 C ATOM 456 C GLY A 29 5.252 8.863 6.012 1.00 0.00 C ATOM 457 O GLY A 29 6.265 8.905 6.709 1.00 0.00 O ATOM 458 H GLY A 29 2.696 7.863 4.681 1.00 0.00 H ATOM 459 1HA GLY A 29 3.599 7.776 6.856 1.00 0.00 H ATOM 460 2HA GLY A 29 4.902 6.757 6.275 1.00 0.00 H ATOM 461 N ILE A 30 4.897 9.846 5.191 1.00 0.00 N ATOM 462 CA ILE A 30 5.710 11.047 5.037 1.00 0.00 C ATOM 463 C ILE A 30 4.974 12.279 5.548 1.00 0.00 C ATOM 464 O ILE A 30 3.847 12.555 5.137 1.00 0.00 O ATOM 465 CB ILE A 30 6.105 11.258 3.564 1.00 0.00 C ATOM 466 CG1 ILE A 30 6.925 10.070 3.056 1.00 0.00 C ATOM 467 CG2 ILE A 30 6.884 12.554 3.403 1.00 0.00 C ATOM 468 CD1 ILE A 30 7.105 10.049 1.555 1.00 0.00 C ATOM 469 H ILE A 30 4.043 9.758 4.659 1.00 0.00 H ATOM 470 HA ILE A 30 6.622 10.925 5.623 1.00 0.00 H ATOM 471 HB ILE A 30 5.206 11.306 2.950 1.00 0.00 H ATOM 472 1HG1 ILE A 30 7.912 10.085 3.517 1.00 0.00 H ATOM 473 2HG1 ILE A 30 6.441 9.139 3.352 1.00 0.00 H ATOM 474 1HG2 ILE A 30 7.155 12.688 2.356 1.00 0.00 H ATOM 475 2HG2 ILE A 30 6.267 13.392 3.727 1.00 0.00 H ATOM 476 3HG2 ILE A 30 7.788 12.513 4.010 1.00 0.00 H ATOM 477 1HD1 ILE A 30 7.696 9.178 1.271 1.00 0.00 H ATOM 478 2HD1 ILE A 30 6.129 9.998 1.072 1.00 0.00 H ATOM 479 3HD1 ILE A 30 7.620 10.955 1.238 1.00 0.00 H ATOM 480 N SER A 31 5.618 13.016 6.446 1.00 0.00 N ATOM 481 CA SER A 31 4.974 14.136 7.122 1.00 0.00 C ATOM 482 C SER A 31 4.665 15.264 6.146 1.00 0.00 C ATOM 483 O SER A 31 5.309 15.392 5.105 1.00 0.00 O ATOM 484 CB SER A 31 5.859 14.651 8.240 1.00 0.00 C ATOM 485 OG SER A 31 7.028 15.230 7.728 1.00 0.00 O ATOM 486 H SER A 31 6.579 12.796 6.666 1.00 0.00 H ATOM 487 HA SER A 31 4.030 13.789 7.544 1.00 0.00 H ATOM 488 1HB SER A 31 5.312 15.387 8.827 1.00 0.00 H ATOM 489 2HB SER A 31 6.119 13.828 8.905 1.00 0.00 H ATOM 490 HG SER A 31 7.622 14.501 7.535 1.00 0.00 H ATOM 491 N PRO A 32 3.675 16.081 6.489 1.00 0.00 N ATOM 492 CA PRO A 32 3.286 17.208 5.649 1.00 0.00 C ATOM 493 C PRO A 32 4.490 18.071 5.294 1.00 0.00 C ATOM 494 O PRO A 32 4.615 18.545 4.165 1.00 0.00 O ATOM 495 CB PRO A 32 2.288 17.966 6.531 1.00 0.00 C ATOM 496 CG PRO A 32 1.658 16.905 7.366 1.00 0.00 C ATOM 497 CD PRO A 32 2.788 15.964 7.690 1.00 0.00 C ATOM 498 HA PRO A 32 2.850 16.820 4.728 1.00 0.00 H ATOM 499 1HB PRO A 32 2.815 18.724 7.129 1.00 0.00 H ATOM 500 2HB PRO A 32 1.562 18.502 5.901 1.00 0.00 H ATOM 501 1HG PRO A 32 1.205 17.348 8.265 1.00 0.00 H ATOM 502 2HG PRO A 32 0.846 16.415 6.809 1.00 0.00 H ATOM 503 1HD PRO A 32 3.297 16.303 8.604 1.00 0.00 H ATOM 504 2HD PRO A 32 2.392 14.946 7.821 1.00 0.00 H ATOM 505 N ASP A 33 5.375 18.272 6.265 1.00 0.00 N ATOM 506 CA ASP A 33 6.579 19.066 6.051 1.00 0.00 C ATOM 507 C ASP A 33 7.517 18.387 5.061 1.00 0.00 C ATOM 508 O ASP A 33 8.001 19.016 4.119 1.00 0.00 O ATOM 509 CB ASP A 33 7.309 19.300 7.376 1.00 0.00 C ATOM 510 CG ASP A 33 6.566 20.253 8.302 1.00 0.00 C ATOM 511 OD1 ASP A 33 5.698 20.950 7.832 1.00 0.00 O ATOM 512 OD2 ASP A 33 6.873 20.275 9.470 1.00 0.00 O ATOM 513 H ASP A 33 5.208 17.865 7.174 1.00 0.00 H ATOM 514 HA ASP A 33 6.288 20.036 5.648 1.00 0.00 H ATOM 515 1HB ASP A 33 7.444 18.348 7.890 1.00 0.00 H ATOM 516 2HB ASP A 33 8.301 19.708 7.178 1.00 0.00 H ATOM 517 N GLU A 34 7.770 17.101 5.279 1.00 0.00 N ATOM 518 CA GLU A 34 8.589 16.316 4.363 1.00 0.00 C ATOM 519 C GLU A 34 7.913 16.171 3.006 1.00 0.00 C ATOM 520 O GLU A 34 8.581 16.082 1.976 1.00 0.00 O ATOM 521 CB GLU A 34 8.871 14.932 4.954 1.00 0.00 C ATOM 522 CG GLU A 34 9.799 14.941 6.160 1.00 0.00 C ATOM 523 CD GLU A 34 9.799 13.637 6.908 1.00 0.00 C ATOM 524 OE1 GLU A 34 8.740 13.103 7.132 1.00 0.00 O ATOM 525 OE2 GLU A 34 10.860 13.174 7.255 1.00 0.00 O ATOM 526 H GLU A 34 7.385 16.657 6.100 1.00 0.00 H ATOM 527 HA GLU A 34 9.542 16.827 4.226 1.00 0.00 H ATOM 528 1HB GLU A 34 7.933 14.468 5.257 1.00 0.00 H ATOM 529 2HB GLU A 34 9.320 14.296 4.191 1.00 0.00 H ATOM 530 1HG GLU A 34 10.814 15.154 5.824 1.00 0.00 H ATOM 531 2HG GLU A 34 9.494 15.741 6.834 1.00 0.00 H ATOM 532 N ALA A 35 6.584 16.147 3.012 1.00 0.00 N ATOM 533 CA ALA A 35 5.817 15.947 1.789 1.00 0.00 C ATOM 534 C ALA A 35 6.000 17.112 0.825 1.00 0.00 C ATOM 535 O ALA A 35 6.213 16.914 -0.371 1.00 0.00 O ATOM 536 CB ALA A 35 4.342 15.757 2.114 1.00 0.00 C ATOM 537 H ALA A 35 6.094 16.272 3.886 1.00 0.00 H ATOM 538 HA ALA A 35 6.168 15.035 1.305 1.00 0.00 H ATOM 539 1HB ALA A 35 3.782 15.608 1.191 1.00 0.00 H ATOM 540 2HB ALA A 35 4.221 14.885 2.756 1.00 0.00 H ATOM 541 3HB ALA A 35 3.967 16.640 2.627 1.00 0.00 H ATOM 542 N ASP A 36 5.916 18.329 1.353 1.00 0.00 N ATOM 543 CA ASP A 36 6.117 19.528 0.550 1.00 0.00 C ATOM 544 C ASP A 36 7.490 19.525 -0.110 1.00 0.00 C ATOM 545 O ASP A 36 7.619 19.819 -1.299 1.00 0.00 O ATOM 546 CB ASP A 36 5.962 20.784 1.411 1.00 0.00 C ATOM 547 CG ASP A 36 4.512 21.076 1.776 1.00 0.00 C ATOM 548 OD1 ASP A 36 3.640 20.509 1.162 1.00 0.00 O ATOM 549 OD2 ASP A 36 4.292 21.863 2.665 1.00 0.00 O ATOM 550 H ASP A 36 5.708 18.425 2.337 1.00 0.00 H ATOM 551 HA ASP A 36 5.355 19.555 -0.230 1.00 0.00 H ATOM 552 1HB ASP A 36 6.536 20.668 2.331 1.00 0.00 H ATOM 553 2HB ASP A 36 6.367 21.644 0.878 1.00 0.00 H ATOM 554 N GLU A 37 8.515 19.192 0.668 1.00 0.00 N ATOM 555 CA GLU A 37 9.861 19.028 0.133 1.00 0.00 C ATOM 556 C GLU A 37 9.895 17.963 -0.955 1.00 0.00 C ATOM 557 O GLU A 37 10.415 18.194 -2.047 1.00 0.00 O ATOM 558 CB GLU A 37 10.838 18.658 1.252 1.00 0.00 C ATOM 559 CG GLU A 37 12.272 18.443 0.789 1.00 0.00 C ATOM 560 CD GLU A 37 13.195 18.053 1.909 1.00 0.00 C ATOM 561 OE1 GLU A 37 12.891 18.356 3.038 1.00 0.00 O ATOM 562 OE2 GLU A 37 14.207 17.451 1.636 1.00 0.00 O ATOM 563 H GLU A 37 8.356 19.050 1.655 1.00 0.00 H ATOM 564 HA GLU A 37 10.181 19.977 -0.296 1.00 0.00 H ATOM 565 1HB GLU A 37 10.843 19.447 2.005 1.00 0.00 H ATOM 566 2HB GLU A 37 10.503 17.742 1.740 1.00 0.00 H ATOM 567 1HG GLU A 37 12.285 17.659 0.033 1.00 0.00 H ATOM 568 2HG GLU A 37 12.635 19.361 0.328 1.00 0.00 H ATOM 569 N TRP A 38 9.338 16.795 -0.652 1.00 0.00 N ATOM 570 CA TRP A 38 9.289 15.697 -1.610 1.00 0.00 C ATOM 571 C TRP A 38 8.655 16.140 -2.923 1.00 0.00 C ATOM 572 O TRP A 38 9.152 15.817 -4.002 1.00 0.00 O ATOM 573 CB TRP A 38 8.503 14.519 -1.031 1.00 0.00 C ATOM 574 CG TRP A 38 8.600 13.272 -1.856 1.00 0.00 C ATOM 575 CD1 TRP A 38 9.467 12.237 -1.669 1.00 0.00 C ATOM 576 CD2 TRP A 38 7.798 12.920 -3.009 1.00 0.00 C ATOM 577 NE1 TRP A 38 9.261 11.270 -2.622 1.00 0.00 N ATOM 578 CE2 TRP A 38 8.242 11.670 -3.449 1.00 0.00 C ATOM 579 CE3 TRP A 38 6.753 13.555 -3.691 1.00 0.00 C ATOM 580 CZ2 TRP A 38 7.681 11.037 -4.547 1.00 0.00 C ATOM 581 CZ3 TRP A 38 6.189 12.919 -4.791 1.00 0.00 C ATOM 582 CH2 TRP A 38 6.642 11.692 -5.207 1.00 0.00 C ATOM 583 H TRP A 38 8.937 16.665 0.267 1.00 0.00 H ATOM 584 HA TRP A 38 10.309 15.365 -1.808 1.00 0.00 H ATOM 585 1HB TRP A 38 8.867 14.296 -0.028 1.00 0.00 H ATOM 586 2HB TRP A 38 7.451 14.791 -0.945 1.00 0.00 H ATOM 587 HD1 TRP A 38 10.213 12.185 -0.879 1.00 0.00 H ATOM 588 HE1 TRP A 38 9.776 10.404 -2.702 1.00 0.00 H ATOM 589 HE3 TRP A 38 6.388 14.528 -3.364 1.00 0.00 H ATOM 590 HZ2 TRP A 38 8.027 10.062 -4.892 1.00 0.00 H ATOM 591 HZ3 TRP A 38 5.377 13.421 -5.317 1.00 0.00 H ATOM 592 HH2 TRP A 38 6.177 11.221 -6.073 1.00 0.00 H ATOM 593 N ILE A 39 7.556 16.879 -2.824 1.00 0.00 N ATOM 594 CA ILE A 39 6.861 17.380 -4.003 1.00 0.00 C ATOM 595 C ILE A 39 7.775 18.253 -4.853 1.00 0.00 C ATOM 596 O ILE A 39 7.848 18.091 -6.071 1.00 0.00 O ATOM 597 CB ILE A 39 5.610 18.183 -3.604 1.00 0.00 C ATOM 598 CG1 ILE A 39 4.528 17.249 -3.055 1.00 0.00 C ATOM 599 CG2 ILE A 39 5.082 18.973 -4.792 1.00 0.00 C ATOM 600 CD1 ILE A 39 3.401 17.968 -2.349 1.00 0.00 C ATOM 601 H ILE A 39 7.193 17.101 -1.907 1.00 0.00 H ATOM 602 HA ILE A 39 6.536 16.528 -4.601 1.00 0.00 H ATOM 603 HB ILE A 39 5.863 18.877 -2.803 1.00 0.00 H ATOM 604 1HG1 ILE A 39 4.103 16.666 -3.871 1.00 0.00 H ATOM 605 2HG1 ILE A 39 4.976 16.547 -2.351 1.00 0.00 H ATOM 606 1HG2 ILE A 39 4.198 19.534 -4.492 1.00 0.00 H ATOM 607 2HG2 ILE A 39 5.850 19.663 -5.139 1.00 0.00 H ATOM 608 3HG2 ILE A 39 4.821 18.286 -5.598 1.00 0.00 H ATOM 609 1HD1 ILE A 39 2.675 17.240 -1.987 1.00 0.00 H ATOM 610 2HD1 ILE A 39 3.801 18.531 -1.505 1.00 0.00 H ATOM 611 3HD1 ILE A 39 2.914 18.651 -3.043 1.00 0.00 H ATOM 612 N GLU A 40 8.473 19.178 -4.203 1.00 0.00 N ATOM 613 CA GLU A 40 9.317 20.136 -4.908 1.00 0.00 C ATOM 614 C GLU A 40 10.523 19.450 -5.536 1.00 0.00 C ATOM 615 O GLU A 40 11.031 19.889 -6.568 1.00 0.00 O ATOM 616 CB GLU A 40 9.784 21.238 -3.954 1.00 0.00 C ATOM 617 CG GLU A 40 8.673 22.152 -3.456 1.00 0.00 C ATOM 618 CD GLU A 40 7.979 22.887 -4.569 1.00 0.00 C ATOM 619 OE1 GLU A 40 8.655 23.452 -5.395 1.00 0.00 O ATOM 620 OE2 GLU A 40 6.771 22.883 -4.593 1.00 0.00 O ATOM 621 H GLU A 40 8.417 19.219 -3.196 1.00 0.00 H ATOM 622 HA GLU A 40 8.727 20.601 -5.699 1.00 0.00 H ATOM 623 1HB GLU A 40 10.261 20.787 -3.083 1.00 0.00 H ATOM 624 2HB GLU A 40 10.530 21.858 -4.451 1.00 0.00 H ATOM 625 1HG GLU A 40 7.939 21.554 -2.918 1.00 0.00 H ATOM 626 2HG GLU A 40 9.096 22.873 -2.759 1.00 0.00 H ATOM 627 N ARG A 41 10.977 18.371 -4.908 1.00 0.00 N ATOM 628 CA ARG A 41 12.093 17.592 -5.432 1.00 0.00 C ATOM 629 C ARG A 41 11.729 16.929 -6.754 1.00 0.00 C ATOM 630 O ARG A 41 12.563 16.813 -7.652 1.00 0.00 O ATOM 631 CB ARG A 41 12.517 16.526 -4.433 1.00 0.00 C ATOM 632 CG ARG A 41 13.311 17.043 -3.244 1.00 0.00 C ATOM 633 CD ARG A 41 13.737 15.940 -2.345 1.00 0.00 C ATOM 634 NE ARG A 41 14.539 16.424 -1.233 1.00 0.00 N ATOM 635 CZ ARG A 41 15.869 16.638 -1.285 1.00 0.00 C ATOM 636 NH1 ARG A 41 16.529 16.405 -2.398 1.00 0.00 N ATOM 637 NH2 ARG A 41 16.509 17.081 -0.217 1.00 0.00 N ATOM 638 H ARG A 41 10.538 18.083 -4.045 1.00 0.00 H ATOM 639 HA ARG A 41 12.936 18.264 -5.598 1.00 0.00 H ATOM 640 1HB ARG A 41 11.635 16.019 -4.044 1.00 0.00 H ATOM 641 2HB ARG A 41 13.129 15.778 -4.937 1.00 0.00 H ATOM 642 1HG ARG A 41 14.203 17.560 -3.598 1.00 0.00 H ATOM 643 2HG ARG A 41 12.695 17.736 -2.668 1.00 0.00 H ATOM 644 1HD ARG A 41 12.857 15.441 -1.939 1.00 0.00 H ATOM 645 2HD ARG A 41 14.333 15.222 -2.908 1.00 0.00 H ATOM 646 HE ARG A 41 14.066 16.615 -0.360 1.00 0.00 H ATOM 647 1HH1 ARG A 41 16.040 16.066 -3.214 1.00 0.00 H ATOM 648 2HH1 ARG A 41 17.525 16.565 -2.436 1.00 0.00 H ATOM 649 1HH2 ARG A 41 16.001 17.259 0.639 1.00 0.00 H ATOM 650 2HH2 ARG A 41 17.504 17.240 -0.255 1.00 0.00 H ATOM 651 N VAL A 42 10.478 16.494 -6.867 1.00 0.00 N ATOM 652 CA VAL A 42 9.979 15.912 -8.107 1.00 0.00 C ATOM 653 C VAL A 42 9.894 16.958 -9.211 1.00 0.00 C ATOM 654 O VAL A 42 10.258 16.695 -10.358 1.00 0.00 O ATOM 655 CB VAL A 42 8.587 15.292 -7.884 1.00 0.00 C ATOM 656 CG1 VAL A 42 7.968 14.882 -9.212 1.00 0.00 C ATOM 657 CG2 VAL A 42 8.696 14.099 -6.948 1.00 0.00 C ATOM 658 H VAL A 42 9.858 16.569 -6.074 1.00 0.00 H ATOM 659 HA VAL A 42 10.666 15.126 -8.422 1.00 0.00 H ATOM 660 HB VAL A 42 7.931 16.043 -7.442 1.00 0.00 H ATOM 661 1HG1 VAL A 42 6.984 14.445 -9.035 1.00 0.00 H ATOM 662 2HG1 VAL A 42 7.866 15.758 -9.852 1.00 0.00 H ATOM 663 3HG1 VAL A 42 8.607 14.146 -9.700 1.00 0.00 H ATOM 664 1HG2 VAL A 42 7.708 13.666 -6.794 1.00 0.00 H ATOM 665 2HG2 VAL A 42 9.356 13.350 -7.387 1.00 0.00 H ATOM 666 3HG2 VAL A 42 9.103 14.424 -5.990 1.00 0.00 H ATOM 667 N LYS A 43 9.413 18.146 -8.859 1.00 0.00 N ATOM 668 CA LYS A 43 9.305 19.242 -9.814 1.00 0.00 C ATOM 669 C LYS A 43 10.655 19.558 -10.445 1.00 0.00 C ATOM 670 O LYS A 43 11.701 19.370 -9.823 1.00 0.00 O ATOM 671 OXT LYS A 43 10.708 19.996 -11.561 1.00 0.00 O ATOM 672 CB LYS A 43 8.737 20.490 -9.135 1.00 0.00 C ATOM 673 CG LYS A 43 7.279 20.367 -8.712 1.00 0.00 C ATOM 674 CD LYS A 43 6.784 21.649 -8.058 1.00 0.00 C ATOM 675 CE LYS A 43 5.331 21.524 -7.625 1.00 0.00 C ATOM 676 NZ LYS A 43 4.881 22.705 -6.840 1.00 0.00 N ATOM 677 H LYS A 43 9.114 18.292 -7.906 1.00 0.00 H ATOM 678 HA LYS A 43 8.626 18.941 -10.612 1.00 0.00 H ATOM 679 1HB LYS A 43 9.325 20.719 -8.245 1.00 0.00 H ATOM 680 2HB LYS A 43 8.819 21.341 -9.810 1.00 0.00 H ATOM 681 1HG LYS A 43 6.663 20.154 -9.587 1.00 0.00 H ATOM 682 2HG LYS A 43 7.173 19.544 -8.006 1.00 0.00 H ATOM 683 1HD LYS A 43 7.397 21.872 -7.185 1.00 0.00 H ATOM 684 2HD LYS A 43 6.872 22.475 -8.764 1.00 0.00 H ATOM 685 1HE LYS A 43 4.696 21.424 -8.504 1.00 0.00 H ATOM 686 2HE LYS A 43 5.209 20.630 -7.013 1.00 0.00 H ATOM 687 1HZ LYS A 43 3.914 22.584 -6.572 1.00 0.00 H ATOM 688 2HZ LYS A 43 5.451 22.797 -6.011 1.00 0.00 H ATOM 689 3HZ LYS A 43 4.970 23.538 -7.404 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE nods_bigger.blueprint.34_try78_pass_20151109073354_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_intra_sol_xover4 lk_ball_wtd fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 rama omega fa_dun p_aa_pp yhh_planarity ref total weights 1 0.55 1 0.005 1 1 1 1.25 1.17 1.17 1.17 1.1 1.25 0.25 0.625 0.7 0.4 0.625 1 NA pose -212.967 21.8148 118.753 0.37931 6.63223 2.10658 -35.3842 0.06494 -27.612 -1.17334 -2.32252 -13.986 0 -7.48284 2.62179 56.1705 -7.06455 0 -9.80538 -109.255 THR:NtermProteinFull_1 -2.53172 0.23764 1.37912 0.0097 0.0358 -0.0413 -0.28118 0 0 0 0 0 0 0 0.07008 0.07749 0 0 0.72083 -0.32353 LYS_2 -3.86238 0.2774 1.83296 0.00631 0.07052 -0.04434 -0.07373 0 0 0 0 0 0 -0.20881 0.04435 1.0533 -0.05263 0 -0.47142 -1.42847 GLU_3 -3.93249 0.26739 3.18905 0.00993 0.27344 0.34745 -1.32912 0 0 0 0 -0.86095 0 -0.14718 0.01065 2.78872 -0.12121 0 -2.28137 -1.78568 GLU_4 -5.00296 0.36194 4.37074 0.00981 0.26604 0.33187 -1.80795 0 0 0 0 -0.86773 0 -0.07381 0.00183 2.67163 -0.12243 0 -2.28137 -2.14238 ALA_5 -5.19306 0.25817 1.9335 0.00082 0 -0.00922 -0.45521 0 0 0 0 0 0 -0.18639 0.02717 0 -0.22786 0 1.56209 -2.29 GLU_6 -5.71474 0.52145 3.24698 0.00879 0.26893 0.10151 -0.82674 0 0 0 0 -0.49507 0 -0.23661 0.00596 2.84193 -0.13083 0 -2.28137 -2.68982 ARG_7 -4.69352 0.27046 4.12043 0.01445 0.22886 0.33296 -1.70661 0 0 0 0 -0.86095 0 -0.26961 0.10853 1.97671 -0.11384 0 -0.4 -0.99214 ARG_8 -5.61136 0.37654 3.87187 0.01455 0.23077 0.32521 -1.80504 0 0 0 0 -0.86773 0 -0.29348 0.05553 1.97001 -0.12293 0 -0.4 -2.25604 ALA_9 -6.27146 0.9215 1.12588 0.00083 0 0 -0.4782 0 0 0 0 0 0 -0.23334 0.09166 0 -0.24412 0 1.56209 -3.52517 GLU_10 -5.77119 0.85403 3.84142 0.00935 0.26347 0.31077 -1.57843 0 0 0 0 -0.80027 0 -0.06493 0.04303 2.68556 -0.12115 0 -2.28137 -2.60971 GLU_11 -4.14179 0.20318 3.39417 0.00676 0.20945 -0.17949 -0.38146 0 0 0 0 0 0 -0.23494 0.02258 2.71663 -0.11666 0 -2.28137 -0.78294 ALA_12 -6.01452 0.43269 2.35032 0.00081 0 -0.06298 -0.39649 0 0 0 0 0 0 -0.16552 0.0474 0 -0.21016 0 1.56209 -2.45635 VAL_13 -6.38807 1.1563 1.05664 0.01911 0.02478 -0.04726 -0.3563 0 0 0 0 0 0 0.01117 0.00346 -0.00982 -0.02955 0 2.2876 -2.27194 ARG_14 -3.90797 0.18659 3.17485 0.01501 0.24109 0.23849 -1.54267 0 0 0 0 -0.80027 0 -0.30088 0.01154 1.89263 -0.09302 0 -0.4 -1.28461 ASN_15 -3.43258 0.36398 2.81428 0.00497 0.21889 -0.31054 -0.01231 0 0 0 0 0 0 -0.36109 0.06986 1.67979 -0.32247 0 -1.09912 -0.38636 GLY_16 -1.93469 0.18854 2.02772 1e-05 0 -0.09852 -0.41024 0 0 0 0 0 0 -0.46792 0.14429 0 -1.0022 0 0.8121 -0.7409 ASN_17 -4.71942 0.4791 3.2403 0.0067 0.22935 -0.23266 -0.43688 0 0 0 0 0 0 -0.05454 0.03535 2.2832 -0.37422 0 -1.09912 -0.64284 ASP_18 -4.74232 0.19432 4.26451 0.00364 0.24277 -0.08305 -1.86115 0 0 0 0 -0.65528 0 -0.18436 0.00024 1.59503 0.03128 0 -2.00354 -3.19792 ASP_19 -3.22618 0.23518 3.03806 0.00353 0.23333 0.01982 -1.04361 0 0 0 0 -0.51752 0 -0.0861 0.13817 1.71849 0.08498 0 -2.00354 -1.40539 LYS_20 -4.60721 0.26513 2.04734 0.00894 0.11073 -0.06471 0.13413 0 0 0 0 0 0 -0.18714 0.03918 1.08515 -0.05004 0 -0.47142 -1.68991 ALA_21 -6.16476 0.75735 1.29564 0.00079 0 0.00014 -0.42396 0 0 0 0 0 0 3e-05 0.00193 0 -0.12166 0 1.56209 -3.09241 ARG_22 -6.98973 0.40856 5.51258 0.02518 0.59695 0.16838 -3.00551 0 0 0 0 -1.35219 0 -0.00542 0.00549 2.35702 -0.13662 0 -0.4 -2.8153 LYS_23 -4.48798 0.23029 3.35818 0.00635 0.07254 -0.08973 -0.40745 0 0 0 0 0 0 -0.2324 0.03594 1.04921 -0.05995 0 -0.47142 -0.99642 LEU_24 -7.38998 0.60425 1.83237 0.01184 0.02808 0.01287 -0.27279 0 0 0 0 0 0 -0.15536 3e-05 0.43257 -0.15433 0 1.68043 -3.37003 LEU_25 -9.4503 1.78771 0.78538 0.01195 0.02866 -0.01902 -0.43507 0 0 0 0 0 0 -0.1691 0.35992 0.33895 -0.16161 0 1.68043 -5.24211 GLU_26 -5.27254 0.4683 4.26838 0.00701 0.22006 -0.09387 -0.55592 0 0 0 0 0 0 -0.27222 0.2887 2.74617 -0.12836 0 -2.28137 -0.60566 LYS_27 -3.45808 0.40074 2.12515 0.00647 0.07781 0.01595 -0.10051 0 0 0 0 0 0 -0.32753 0.00953 0.89317 -0.05103 0 -0.47142 -0.87976 ALA_28 -4.76609 0.45786 1.08554 0.00169 0 -0.03026 -0.08548 0 0 0 0 0 0 -0.17421 0.02872 0 -0.08109 0 1.56209 -2.00123 GLY_29 -1.77218 0.26374 1.57719 4e-05 0 -0.03007 0.08709 0 0 0 0 0 0 -0.3814 0.01007 0 -0.98295 0 0.8121 -0.41638 ILE_30 -5.97096 0.92296 1.0769 0.02466 0.03564 -0.09579 -0.18769 0 0 0 0 0 0 -0.27988 0.28346 0.25814 -0.46503 0 2.27849 -2.11911 SER_31 -4.12159 0.87095 3.79705 0.0014 0.05661 0.22202 -1.74035 9e-05 0 0 -1.16126 -0.47178 0 -0.36682 0.00191 0.27284 -0.19204 0 0.5 -2.33097 PRO_32 -3.49135 0.42463 2.24532 0.00153 0.02028 -0.01278 -0.15007 0.06485 0 0 0 0 0 0.06274 0.00334 0.0941 -0.34737 0 -0.97642 -2.0612 ASP_33 -2.65124 0.23655 2.31682 0.00352 0.23295 -0.04462 -0.13774 0 0 0 0 0 0 -0.02957 0.0802 1.70804 0.08865 0 -2.00354 -0.19998 GLU_34 -4.85242 0.5304 3.87728 0.0056 0.23565 0.19975 -1.66885 0 0 0 -1.16126 -0.47178 0 -0.35915 0.05826 3.45862 -0.17636 0 -2.28137 -2.60562 ALA_35 -5.838 0.83524 2.00857 0.0008 0 -0.0288 -0.56549 0 0 0 0 0 0 -0.11454 0.02807 0 -0.16137 0 1.56209 -2.27344 ASP_36 -4.5638 0.2034 4.36675 0.00378 0.23597 0.24022 -1.61613 0 0 0 0 -0.83467 0 -0.05989 0.21483 1.65337 0.06545 0 -2.00354 -2.09425 GLU_37 -4.55253 0.2829 4.16273 0.00934 0.26029 0.35371 -1.65155 0 0 0 0 -0.86567 0 -0.11203 0.00372 2.89653 -0.13815 0 -2.28137 -1.63208 TRP_38 -9.23622 1.8156 2.00831 0.02615 0.32654 0.09697 -0.98105 0 0 0 0 -0.49507 0 -0.08874 0.00316 2.05584 -0.08345 0 1.56226 -2.98971 ILE_39 -8.59129 0.8941 1.90247 0.02948 0.03497 -0.23097 -0.59958 0 0 0 0 0 0 0.02517 0.1054 0.27479 -0.09256 0 2.27849 -3.96952 GLU_40 -4.68973 0.23987 4.15076 0.00673 0.65366 0.04047 -1.27604 0 0 0 0 -0.62408 0 -0.35048 0.03558 2.92717 -0.18322 0 -2.28137 -1.35067 ARG_41 -3.93501 0.22971 3.52221 0.01435 0.22595 0.37838 -1.2525 0 0 0 0 -0.86567 0 -0.28561 0.08281 2.24919 -0.11853 0 -0.4 -0.15472 VAL_42 -4.31587 0.6317 0.59634 0.01995 0.02532 -0.06349 0.47728 0 0 0 0 0 0 -0.06096 0.00984 0.04938 -0.04387 0 2.2876 -0.38679 LYS:CtermProteinFull_43 -4.70576 0.26646 4.56074 0.00666 0.11611 0.28309 -2.18563 0 0 0 0 -1.27936 0 0 0 1.42889 0 0 -0.47142 -1.98021 #END_POSE_ENERGIES_TABLE nods_bigger.blueprint.34_try78_pass_20151109073354_0001.pdb AlaCount 6 bb -0.0272807 buried_minus_exposed 3637.88 buried_np 5054.44 buried_over_exposed 3.56808 cavity_volume 0 contact_all 220 contact_core_SASA 220 contact_core_SCN 220 degree 10.5349 exposed_hydrophobics 1416.56 exposed_polars 1685.97 exposed_total 3102.54 fxn_exposed_is_np 0.456582 holes -1.8194 mismatch_probability 0.125681 pack 0.712014 percent_core_SASA 0.0930016 percent_core_SCN 0.139502 res_count_core_SASA 4 res_count_core_SCN 6 sidechain_neighbors -88.352 ss_sc 0.811255 unsat_hbond 3
HHH_rd3_0091.pdb
ATOM 1 N GLU A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA GLU A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C GLU A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O GLU A 1 1.366 2.346 -0.495 1.00 0.00 O ATOM 5 CB GLU A 1 1.991 -0.764 -1.214 1.00 0.00 C ATOM 6 CG GLU A 1 1.662 -2.250 -1.215 1.00 0.00 C ATOM 7 CD GLU A 1 2.280 -2.985 -2.372 1.00 0.00 C ATOM 8 OE1 GLU A 1 2.978 -2.367 -3.140 1.00 0.00 O ATOM 9 OE2 GLU A 1 2.054 -4.167 -2.489 1.00 0.00 O ATOM 10 1H GLU A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 11 2H GLU A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 12 3H GLU A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 13 HA GLU A 1 1.804 -0.492 0.910 1.00 0.00 H ATOM 14 1HB GLU A 1 1.582 -0.330 -2.126 1.00 0.00 H ATOM 15 2HB GLU A 1 3.076 -0.662 -1.261 1.00 0.00 H ATOM 16 1HG GLU A 1 2.021 -2.692 -0.286 1.00 0.00 H ATOM 17 2HG GLU A 1 0.580 -2.372 -1.250 1.00 0.00 H ATOM 18 N PRO A 2 3.203 1.586 0.558 1.00 0.00 N ATOM 19 CA PRO A 2 3.883 2.876 0.543 1.00 0.00 C ATOM 20 C PRO A 2 3.939 3.453 -0.865 1.00 0.00 C ATOM 21 O PRO A 2 3.837 4.665 -1.054 1.00 0.00 O ATOM 22 CB PRO A 2 5.281 2.534 1.070 1.00 0.00 C ATOM 23 CG PRO A 2 5.058 1.362 1.964 1.00 0.00 C ATOM 24 CD PRO A 2 4.012 0.545 1.255 1.00 0.00 C ATOM 25 HA PRO A 2 3.331 3.566 1.182 1.00 0.00 H ATOM 26 1HB PRO A 2 5.955 2.309 0.231 1.00 0.00 H ATOM 27 2HB PRO A 2 5.705 3.400 1.600 1.00 0.00 H ATOM 28 1HG PRO A 2 5.999 0.812 2.109 1.00 0.00 H ATOM 29 2HG PRO A 2 4.731 1.700 2.958 1.00 0.00 H ATOM 30 1HD PRO A 2 4.499 -0.139 0.544 1.00 0.00 H ATOM 31 2HD PRO A 2 3.423 -0.019 1.995 1.00 0.00 H ATOM 32 N ARG A 3 4.103 2.578 -1.851 1.00 0.00 N ATOM 33 CA ARG A 3 4.165 2.998 -3.246 1.00 0.00 C ATOM 34 C ARG A 3 2.866 3.665 -3.679 1.00 0.00 C ATOM 35 O ARG A 3 2.880 4.671 -4.388 1.00 0.00 O ATOM 36 CB ARG A 3 4.446 1.808 -4.152 1.00 0.00 C ATOM 37 CG ARG A 3 5.824 1.188 -3.984 1.00 0.00 C ATOM 38 CD ARG A 3 6.091 0.154 -5.016 1.00 0.00 C ATOM 39 NE ARG A 3 5.232 -1.009 -4.853 1.00 0.00 N ATOM 40 CZ ARG A 3 5.182 -2.049 -5.708 1.00 0.00 C ATOM 41 NH1 ARG A 3 5.946 -2.058 -6.778 1.00 0.00 N ATOM 42 NH2 ARG A 3 4.366 -3.061 -5.470 1.00 0.00 N ATOM 43 H ARG A 3 4.186 1.596 -1.629 1.00 0.00 H ATOM 44 HA ARG A 3 4.979 3.715 -3.356 1.00 0.00 H ATOM 45 1HB ARG A 3 3.709 1.028 -3.967 1.00 0.00 H ATOM 46 2HB ARG A 3 4.346 2.112 -5.194 1.00 0.00 H ATOM 47 1HG ARG A 3 6.585 1.964 -4.072 1.00 0.00 H ATOM 48 2HG ARG A 3 5.896 0.719 -3.002 1.00 0.00 H ATOM 49 1HD ARG A 3 5.913 0.573 -6.006 1.00 0.00 H ATOM 50 2HD ARG A 3 7.127 -0.175 -4.942 1.00 0.00 H ATOM 51 HE ARG A 3 4.630 -1.038 -4.041 1.00 0.00 H ATOM 52 1HH1 ARG A 3 6.570 -1.284 -6.959 1.00 0.00 H ATOM 53 2HH1 ARG A 3 5.909 -2.837 -7.418 1.00 0.00 H ATOM 54 1HH2 ARG A 3 3.779 -3.054 -4.648 1.00 0.00 H ATOM 55 2HH2 ARG A 3 4.329 -3.840 -6.111 1.00 0.00 H ATOM 56 N GLU A 4 1.743 3.099 -3.248 1.00 0.00 N ATOM 57 CA GLU A 4 0.434 3.662 -3.556 1.00 0.00 C ATOM 58 C GLU A 4 0.239 5.010 -2.875 1.00 0.00 C ATOM 59 O GLU A 4 -0.360 5.923 -3.444 1.00 0.00 O ATOM 60 CB GLU A 4 -0.675 2.698 -3.128 1.00 0.00 C ATOM 61 CG GLU A 4 -0.734 1.409 -3.935 1.00 0.00 C ATOM 62 CD GLU A 4 -1.651 0.382 -3.330 1.00 0.00 C ATOM 63 OE1 GLU A 4 -1.651 0.246 -2.131 1.00 0.00 O ATOM 64 OE2 GLU A 4 -2.353 -0.267 -4.070 1.00 0.00 O ATOM 65 H GLU A 4 1.799 2.258 -2.692 1.00 0.00 H ATOM 66 HA GLU A 4 0.363 3.801 -4.636 1.00 0.00 H ATOM 67 1HB GLU A 4 -0.540 2.431 -2.080 1.00 0.00 H ATOM 68 2HB GLU A 4 -1.642 3.193 -3.217 1.00 0.00 H ATOM 69 1HG GLU A 4 -1.078 1.638 -4.942 1.00 0.00 H ATOM 70 2HG GLU A 4 0.270 0.993 -4.009 1.00 0.00 H ATOM 71 N LEU A 5 0.750 5.130 -1.654 1.00 0.00 N ATOM 72 CA LEU A 5 0.689 6.387 -0.919 1.00 0.00 C ATOM 73 C LEU A 5 1.467 7.483 -1.636 1.00 0.00 C ATOM 74 O LEU A 5 1.036 8.635 -1.682 1.00 0.00 O ATOM 75 CB LEU A 5 1.246 6.200 0.498 1.00 0.00 C ATOM 76 CG LEU A 5 0.408 5.317 1.431 1.00 0.00 C ATOM 77 CD1 LEU A 5 1.181 5.058 2.717 1.00 0.00 C ATOM 78 CD2 LEU A 5 -0.920 6.000 1.719 1.00 0.00 C ATOM 79 H LEU A 5 1.191 4.329 -1.225 1.00 0.00 H ATOM 80 HA LEU A 5 -0.355 6.693 -0.841 1.00 0.00 H ATOM 81 1HB LEU A 5 2.238 5.756 0.425 1.00 0.00 H ATOM 82 2HB LEU A 5 1.342 7.179 0.966 1.00 0.00 H ATOM 83 HG LEU A 5 0.225 4.354 0.953 1.00 0.00 H ATOM 84 1HD1 LEU A 5 0.586 4.431 3.380 1.00 0.00 H ATOM 85 2HD1 LEU A 5 2.118 4.551 2.483 1.00 0.00 H ATOM 86 3HD1 LEU A 5 1.394 6.006 3.210 1.00 0.00 H ATOM 87 1HD2 LEU A 5 -1.516 5.372 2.382 1.00 0.00 H ATOM 88 2HD2 LEU A 5 -0.738 6.962 2.198 1.00 0.00 H ATOM 89 3HD2 LEU A 5 -1.459 6.156 0.785 1.00 0.00 H ATOM 90 N GLU A 6 2.616 7.117 -2.195 1.00 0.00 N ATOM 91 CA GLU A 6 3.429 8.055 -2.959 1.00 0.00 C ATOM 92 C GLU A 6 2.708 8.508 -4.222 1.00 0.00 C ATOM 93 O GLU A 6 2.720 9.690 -4.565 1.00 0.00 O ATOM 94 CB GLU A 6 4.772 7.421 -3.326 1.00 0.00 C ATOM 95 CG GLU A 6 5.729 7.250 -2.155 1.00 0.00 C ATOM 96 CD GLU A 6 7.092 6.776 -2.576 1.00 0.00 C ATOM 97 OE1 GLU A 6 7.427 6.938 -3.725 1.00 0.00 O ATOM 98 OE2 GLU A 6 7.799 6.251 -1.748 1.00 0.00 O ATOM 99 H GLU A 6 2.934 6.164 -2.087 1.00 0.00 H ATOM 100 HA GLU A 6 3.626 8.929 -2.337 1.00 0.00 H ATOM 101 1HB GLU A 6 4.602 6.437 -3.765 1.00 0.00 H ATOM 102 2HB GLU A 6 5.271 8.033 -4.078 1.00 0.00 H ATOM 103 1HG GLU A 6 5.832 8.205 -1.641 1.00 0.00 H ATOM 104 2HG GLU A 6 5.302 6.535 -1.452 1.00 0.00 H ATOM 105 N LYS A 7 2.081 7.561 -4.911 1.00 0.00 N ATOM 106 CA LYS A 7 1.345 7.862 -6.133 1.00 0.00 C ATOM 107 C LYS A 7 0.262 8.904 -5.881 1.00 0.00 C ATOM 108 O LYS A 7 0.142 9.879 -6.622 1.00 0.00 O ATOM 109 CB LYS A 7 0.725 6.589 -6.712 1.00 0.00 C ATOM 110 CG LYS A 7 1.729 5.630 -7.337 1.00 0.00 C ATOM 111 CD LYS A 7 1.047 4.364 -7.836 1.00 0.00 C ATOM 112 CE LYS A 7 2.053 3.389 -8.430 1.00 0.00 C ATOM 113 NZ LYS A 7 1.401 2.140 -8.910 1.00 0.00 N ATOM 114 H LYS A 7 2.115 6.607 -4.580 1.00 0.00 H ATOM 115 HA LYS A 7 2.045 8.256 -6.870 1.00 0.00 H ATOM 116 1HB LYS A 7 0.194 6.053 -5.926 1.00 0.00 H ATOM 117 2HB LYS A 7 -0.004 6.856 -7.478 1.00 0.00 H ATOM 118 1HG LYS A 7 2.227 6.118 -8.176 1.00 0.00 H ATOM 119 2HG LYS A 7 2.482 5.359 -6.598 1.00 0.00 H ATOM 120 1HD LYS A 7 0.529 3.879 -7.007 1.00 0.00 H ATOM 121 2HD LYS A 7 0.312 4.623 -8.599 1.00 0.00 H ATOM 122 1HE LYS A 7 2.566 3.861 -9.267 1.00 0.00 H ATOM 123 2HE LYS A 7 2.796 3.130 -7.677 1.00 0.00 H ATOM 124 1HZ LYS A 7 2.100 1.522 -9.295 1.00 0.00 H ATOM 125 2HZ LYS A 7 0.937 1.684 -8.137 1.00 0.00 H ATOM 126 3HZ LYS A 7 0.723 2.367 -9.623 1.00 0.00 H ATOM 127 N GLU A 8 -0.523 8.691 -4.830 1.00 0.00 N ATOM 128 CA GLU A 8 -1.551 9.648 -4.436 1.00 0.00 C ATOM 129 C GLU A 8 -0.934 10.970 -4.001 1.00 0.00 C ATOM 130 O GLU A 8 -1.465 12.041 -4.295 1.00 0.00 O ATOM 131 CB GLU A 8 -2.406 9.075 -3.304 1.00 0.00 C ATOM 132 CG GLU A 8 -3.588 9.948 -2.906 1.00 0.00 C ATOM 133 CD GLU A 8 -4.358 9.393 -1.740 1.00 0.00 C ATOM 134 OE1 GLU A 8 -4.258 8.215 -1.492 1.00 0.00 O ATOM 135 OE2 GLU A 8 -5.048 10.148 -1.096 1.00 0.00 O ATOM 136 H GLU A 8 -0.406 7.845 -4.291 1.00 0.00 H ATOM 137 HA GLU A 8 -2.201 9.830 -5.293 1.00 0.00 H ATOM 138 1HB GLU A 8 -2.795 8.100 -3.598 1.00 0.00 H ATOM 139 2HB GLU A 8 -1.787 8.927 -2.419 1.00 0.00 H ATOM 140 1HG GLU A 8 -3.222 10.940 -2.645 1.00 0.00 H ATOM 141 2HG GLU A 8 -4.255 10.050 -3.761 1.00 0.00 H ATOM 142 N ALA A 9 0.190 10.890 -3.297 1.00 0.00 N ATOM 143 CA ALA A 9 0.891 12.081 -2.833 1.00 0.00 C ATOM 144 C ALA A 9 1.331 12.952 -4.004 1.00 0.00 C ATOM 145 O ALA A 9 1.261 14.179 -3.937 1.00 0.00 O ATOM 146 CB ALA A 9 2.092 11.693 -1.983 1.00 0.00 C ATOM 147 H ALA A 9 0.569 9.980 -3.078 1.00 0.00 H ATOM 148 HA ALA A 9 0.213 12.659 -2.204 1.00 0.00 H ATOM 149 1HB ALA A 9 2.604 12.593 -1.644 1.00 0.00 H ATOM 150 2HB ALA A 9 1.755 11.120 -1.118 1.00 0.00 H ATOM 151 3HB ALA A 9 2.776 11.087 -2.575 1.00 0.00 H ATOM 152 N GLN A 10 1.785 12.310 -5.075 1.00 0.00 N ATOM 153 CA GLN A 10 2.190 13.022 -6.280 1.00 0.00 C ATOM 154 C GLN A 10 1.013 13.756 -6.908 1.00 0.00 C ATOM 155 O GLN A 10 1.149 14.892 -7.364 1.00 0.00 O ATOM 156 CB GLN A 10 2.803 12.052 -7.295 1.00 0.00 C ATOM 157 CG GLN A 10 4.161 11.506 -6.892 1.00 0.00 C ATOM 158 CD GLN A 10 4.711 10.517 -7.903 1.00 0.00 C ATOM 159 OE1 GLN A 10 4.210 10.414 -9.026 1.00 0.00 O ATOM 160 NE2 GLN A 10 5.746 9.784 -7.510 1.00 0.00 N ATOM 161 H GLN A 10 1.850 11.302 -5.053 1.00 0.00 H ATOM 162 HA GLN A 10 2.954 13.752 -6.011 1.00 0.00 H ATOM 163 1HB GLN A 10 2.130 11.207 -7.443 1.00 0.00 H ATOM 164 2HB GLN A 10 2.914 12.554 -8.256 1.00 0.00 H ATOM 165 1HG GLN A 10 4.864 12.334 -6.807 1.00 0.00 H ATOM 166 2HG GLN A 10 4.067 10.996 -5.933 1.00 0.00 H ATOM 167 1HE2 GLN A 10 6.152 9.115 -8.134 1.00 0.00 H ATOM 168 2HE2 GLN A 10 6.121 9.900 -6.590 1.00 0.00 H ATOM 169 N GLU A 11 -0.143 13.102 -6.929 1.00 0.00 N ATOM 170 CA GLU A 11 -1.367 13.724 -7.421 1.00 0.00 C ATOM 171 C GLU A 11 -1.779 14.899 -6.543 1.00 0.00 C ATOM 172 O GLU A 11 -2.095 15.979 -7.042 1.00 0.00 O ATOM 173 CB GLU A 11 -2.500 12.698 -7.481 1.00 0.00 C ATOM 174 CG GLU A 11 -3.850 13.275 -7.883 1.00 0.00 C ATOM 175 CD GLU A 11 -3.874 13.777 -9.300 1.00 0.00 C ATOM 176 OE1 GLU A 11 -3.086 13.311 -10.088 1.00 0.00 O ATOM 177 OE2 GLU A 11 -4.680 14.627 -9.594 1.00 0.00 O ATOM 178 H GLU A 11 -0.175 12.149 -6.596 1.00 0.00 H ATOM 179 HA GLU A 11 -1.187 14.090 -8.432 1.00 0.00 H ATOM 180 1HB GLU A 11 -2.245 11.915 -8.195 1.00 0.00 H ATOM 181 2HB GLU A 11 -2.615 12.226 -6.505 1.00 0.00 H ATOM 182 1HG GLU A 11 -4.611 12.503 -7.770 1.00 0.00 H ATOM 183 2HG GLU A 11 -4.099 14.093 -7.208 1.00 0.00 H ATOM 184 N ALA A 12 -1.773 14.682 -5.232 1.00 0.00 N ATOM 185 CA ALA A 12 -2.099 15.737 -4.280 1.00 0.00 C ATOM 186 C ALA A 12 -1.158 16.925 -4.431 1.00 0.00 C ATOM 187 O ALA A 12 -1.578 18.078 -4.332 1.00 0.00 O ATOM 188 CB ALA A 12 -2.048 15.200 -2.857 1.00 0.00 C ATOM 189 H ALA A 12 -1.537 13.763 -4.887 1.00 0.00 H ATOM 190 HA ALA A 12 -3.119 16.072 -4.470 1.00 0.00 H ATOM 191 1HB ALA A 12 -2.294 15.999 -2.157 1.00 0.00 H ATOM 192 2HB ALA A 12 -2.768 14.389 -2.748 1.00 0.00 H ATOM 193 3HB ALA A 12 -1.047 14.827 -2.644 1.00 0.00 H ATOM 194 N TYR A 13 0.117 16.638 -4.671 1.00 0.00 N ATOM 195 CA TYR A 13 1.107 17.682 -4.906 1.00 0.00 C ATOM 196 C TYR A 13 0.749 18.515 -6.130 1.00 0.00 C ATOM 197 O TYR A 13 0.787 19.745 -6.089 1.00 0.00 O ATOM 198 CB TYR A 13 2.501 17.072 -5.067 1.00 0.00 C ATOM 199 CG TYR A 13 3.601 18.097 -5.228 1.00 0.00 C ATOM 200 CD1 TYR A 13 3.950 18.914 -4.162 1.00 0.00 C ATOM 201 CD2 TYR A 13 4.261 18.222 -6.442 1.00 0.00 C ATOM 202 CE1 TYR A 13 4.955 19.850 -4.309 1.00 0.00 C ATOM 203 CE2 TYR A 13 5.266 19.158 -6.589 1.00 0.00 C ATOM 204 CZ TYR A 13 5.613 19.970 -5.528 1.00 0.00 C ATOM 205 OH TYR A 13 6.614 20.903 -5.675 1.00 0.00 O ATOM 206 H TYR A 13 0.407 15.671 -4.692 1.00 0.00 H ATOM 207 HA TYR A 13 1.132 18.337 -4.033 1.00 0.00 H ATOM 208 1HB TYR A 13 2.732 16.458 -4.196 1.00 0.00 H ATOM 209 2HB TYR A 13 2.513 16.420 -5.940 1.00 0.00 H ATOM 210 HD1 TYR A 13 3.431 18.816 -3.208 1.00 0.00 H ATOM 211 HD2 TYR A 13 3.986 17.581 -7.279 1.00 0.00 H ATOM 212 HE1 TYR A 13 5.229 20.491 -3.472 1.00 0.00 H ATOM 213 HE2 TYR A 13 5.784 19.256 -7.543 1.00 0.00 H ATOM 214 HH TYR A 13 6.994 20.827 -6.553 1.00 0.00 H ATOM 215 N ARG A 14 0.403 17.837 -7.219 1.00 0.00 N ATOM 216 CA ARG A 14 0.011 18.514 -8.450 1.00 0.00 C ATOM 217 C ARG A 14 -1.231 19.369 -8.237 1.00 0.00 C ATOM 218 O ARG A 14 -1.401 20.405 -8.880 1.00 0.00 O ATOM 219 CB ARG A 14 -0.256 17.502 -9.555 1.00 0.00 C ATOM 220 CG ARG A 14 0.986 16.850 -10.140 1.00 0.00 C ATOM 221 CD ARG A 14 0.679 16.103 -11.387 1.00 0.00 C ATOM 222 NE ARG A 14 -0.114 14.913 -11.124 1.00 0.00 N ATOM 223 CZ ARG A 14 0.398 13.691 -10.879 1.00 0.00 C ATOM 224 NH1 ARG A 14 1.701 13.515 -10.866 1.00 0.00 N ATOM 225 NH2 ARG A 14 -0.409 12.670 -10.651 1.00 0.00 N ATOM 226 H ARG A 14 0.412 16.828 -7.194 1.00 0.00 H ATOM 227 HA ARG A 14 0.831 19.160 -8.766 1.00 0.00 H ATOM 228 1HB ARG A 14 -0.897 16.708 -9.174 1.00 0.00 H ATOM 229 2HB ARG A 14 -0.790 17.988 -10.372 1.00 0.00 H ATOM 230 1HG ARG A 14 1.724 17.618 -10.374 1.00 0.00 H ATOM 231 2HG ARG A 14 1.406 16.152 -9.416 1.00 0.00 H ATOM 232 1HD ARG A 14 0.118 16.744 -12.066 1.00 0.00 H ATOM 233 2HD ARG A 14 1.609 15.795 -11.864 1.00 0.00 H ATOM 234 HE ARG A 14 -1.120 15.009 -11.125 1.00 0.00 H ATOM 235 1HH1 ARG A 14 2.318 14.295 -11.040 1.00 0.00 H ATOM 236 2HH1 ARG A 14 2.085 12.599 -10.683 1.00 0.00 H ATOM 237 1HH2 ARG A 14 -1.411 12.805 -10.661 1.00 0.00 H ATOM 238 2HH2 ARG A 14 -0.025 11.755 -10.467 1.00 0.00 H ATOM 239 N GLN A 15 -2.098 18.929 -7.331 1.00 0.00 N ATOM 240 CA GLN A 15 -3.308 19.674 -7.003 1.00 0.00 C ATOM 241 C GLN A 15 -3.004 20.829 -6.057 1.00 0.00 C ATOM 242 O GLN A 15 -3.874 21.649 -5.765 1.00 0.00 O ATOM 243 CB GLN A 15 -4.354 18.748 -6.378 1.00 0.00 C ATOM 244 CG GLN A 15 -4.920 17.713 -7.334 1.00 0.00 C ATOM 245 CD GLN A 15 -5.962 16.826 -6.678 1.00 0.00 C ATOM 246 OE1 GLN A 15 -6.493 17.152 -5.613 1.00 0.00 O ATOM 247 NE2 GLN A 15 -6.261 15.698 -7.311 1.00 0.00 N ATOM 248 H GLN A 15 -1.914 18.056 -6.857 1.00 0.00 H ATOM 249 HA GLN A 15 -3.720 20.086 -7.923 1.00 0.00 H ATOM 250 1HB GLN A 15 -3.914 18.219 -5.532 1.00 0.00 H ATOM 251 2HB GLN A 15 -5.184 19.342 -5.995 1.00 0.00 H ATOM 252 1HG GLN A 15 -5.389 18.226 -8.174 1.00 0.00 H ATOM 253 2HG GLN A 15 -4.108 17.079 -7.691 1.00 0.00 H ATOM 254 1HE2 GLN A 15 -6.941 15.073 -6.926 1.00 0.00 H ATOM 255 2HE2 GLN A 15 -5.807 15.472 -8.173 1.00 0.00 H ATOM 256 N GLY A 16 -1.765 20.887 -5.582 1.00 0.00 N ATOM 257 CA GLY A 16 -1.334 21.962 -4.696 1.00 0.00 C ATOM 258 C GLY A 16 -1.479 21.562 -3.233 1.00 0.00 C ATOM 259 O GLY A 16 -1.062 22.294 -2.335 1.00 0.00 O ATOM 260 H GLY A 16 -1.104 20.168 -5.841 1.00 0.00 H ATOM 261 1HA GLY A 16 -0.294 22.213 -4.907 1.00 0.00 H ATOM 262 2HA GLY A 16 -1.926 22.855 -4.893 1.00 0.00 H ATOM 263 N ASP A 17 -2.074 20.397 -3.000 1.00 0.00 N ATOM 264 CA ASP A 17 -2.368 19.945 -1.646 1.00 0.00 C ATOM 265 C ASP A 17 -1.166 19.242 -1.027 1.00 0.00 C ATOM 266 O ASP A 17 -1.132 18.015 -0.935 1.00 0.00 O ATOM 267 CB ASP A 17 -3.574 19.002 -1.645 1.00 0.00 C ATOM 268 CG ASP A 17 -4.058 18.661 -0.242 1.00 0.00 C ATOM 269 OD1 ASP A 17 -3.390 19.018 0.699 1.00 0.00 O ATOM 270 OD2 ASP A 17 -5.091 18.046 -0.125 1.00 0.00 O ATOM 271 H ASP A 17 -2.328 19.810 -3.781 1.00 0.00 H ATOM 272 HA ASP A 17 -2.585 20.818 -1.028 1.00 0.00 H ATOM 273 1HB ASP A 17 -4.395 19.462 -2.195 1.00 0.00 H ATOM 274 2HB ASP A 17 -3.313 18.077 -2.159 1.00 0.00 H ATOM 275 N GLU A 18 -0.181 20.027 -0.603 1.00 0.00 N ATOM 276 CA GLU A 18 1.029 19.481 -0.002 1.00 0.00 C ATOM 277 C GLU A 18 0.728 18.811 1.333 1.00 0.00 C ATOM 278 O GLU A 18 1.387 17.846 1.717 1.00 0.00 O ATOM 279 CB GLU A 18 2.072 20.583 0.194 1.00 0.00 C ATOM 280 CG GLU A 18 2.664 21.125 -1.100 1.00 0.00 C ATOM 281 CD GLU A 18 3.729 22.161 -0.867 1.00 0.00 C ATOM 282 OE1 GLU A 18 4.007 22.454 0.271 1.00 0.00 O ATOM 283 OE2 GLU A 18 4.264 22.660 -1.829 1.00 0.00 O ATOM 284 H GLU A 18 -0.274 21.028 -0.700 1.00 0.00 H ATOM 285 HA GLU A 18 1.447 18.736 -0.680 1.00 0.00 H ATOM 286 1HB GLU A 18 1.623 21.419 0.731 1.00 0.00 H ATOM 287 2HB GLU A 18 2.892 20.205 0.804 1.00 0.00 H ATOM 288 1HG GLU A 18 3.095 20.298 -1.664 1.00 0.00 H ATOM 289 2HG GLU A 18 1.865 21.560 -1.699 1.00 0.00 H ATOM 290 N ASP A 19 -0.273 19.330 2.037 1.00 0.00 N ATOM 291 CA ASP A 19 -0.660 18.787 3.333 1.00 0.00 C ATOM 292 C ASP A 19 -1.022 17.311 3.226 1.00 0.00 C ATOM 293 O ASP A 19 -0.489 16.477 3.957 1.00 0.00 O ATOM 294 CB ASP A 19 -1.844 19.568 3.910 1.00 0.00 C ATOM 295 CG ASP A 19 -1.459 20.964 4.382 1.00 0.00 C ATOM 296 OD1 ASP A 19 -0.287 21.217 4.532 1.00 0.00 O ATOM 297 OD2 ASP A 19 -2.341 21.763 4.588 1.00 0.00 O ATOM 298 H ASP A 19 -0.778 20.122 1.664 1.00 0.00 H ATOM 299 HA ASP A 19 0.182 18.892 4.018 1.00 0.00 H ATOM 300 1HB ASP A 19 -2.624 19.658 3.154 1.00 0.00 H ATOM 301 2HB ASP A 19 -2.266 19.019 4.752 1.00 0.00 H ATOM 302 N ARG A 20 -1.931 16.995 2.310 1.00 0.00 N ATOM 303 CA ARG A 20 -2.311 15.611 2.054 1.00 0.00 C ATOM 304 C ARG A 20 -1.120 14.792 1.573 1.00 0.00 C ATOM 305 O ARG A 20 -0.909 13.665 2.021 1.00 0.00 O ATOM 306 CB ARG A 20 -3.421 15.544 1.015 1.00 0.00 C ATOM 307 CG ARG A 20 -3.828 14.138 0.603 1.00 0.00 C ATOM 308 CD ARG A 20 -4.467 13.401 1.724 1.00 0.00 C ATOM 309 NE ARG A 20 -4.947 12.093 1.308 1.00 0.00 N ATOM 310 CZ ARG A 20 -5.507 11.187 2.133 1.00 0.00 C ATOM 311 NH1 ARG A 20 -5.649 11.460 3.411 1.00 0.00 N ATOM 312 NH2 ARG A 20 -5.913 10.023 1.657 1.00 0.00 N ATOM 313 H ARG A 20 -2.369 17.732 1.776 1.00 0.00 H ATOM 314 HA ARG A 20 -2.683 15.177 2.983 1.00 0.00 H ATOM 315 1HB ARG A 20 -4.309 16.045 1.398 1.00 0.00 H ATOM 316 2HB ARG A 20 -3.109 16.074 0.115 1.00 0.00 H ATOM 317 1HG ARG A 20 -4.539 14.192 -0.221 1.00 0.00 H ATOM 318 2HG ARG A 20 -2.946 13.582 0.286 1.00 0.00 H ATOM 319 1HD ARG A 20 -3.742 13.259 2.525 1.00 0.00 H ATOM 320 2HD ARG A 20 -5.315 13.973 2.098 1.00 0.00 H ATOM 321 HE ARG A 20 -4.855 11.847 0.332 1.00 0.00 H ATOM 322 1HH1 ARG A 20 -5.338 12.350 3.775 1.00 0.00 H ATOM 323 2HH1 ARG A 20 -6.068 10.780 4.029 1.00 0.00 H ATOM 324 1HH2 ARG A 20 -5.804 9.813 0.674 1.00 0.00 H ATOM 325 2HH2 ARG A 20 -6.332 9.343 2.274 1.00 0.00 H ATOM 326 N ALA A 21 -0.344 15.365 0.660 1.00 0.00 N ATOM 327 CA ALA A 21 0.796 14.668 0.077 1.00 0.00 C ATOM 328 C ALA A 21 1.796 14.256 1.150 1.00 0.00 C ATOM 329 O ALA A 21 2.279 13.123 1.160 1.00 0.00 O ATOM 330 CB ALA A 21 1.473 15.542 -0.969 1.00 0.00 C ATOM 331 H ALA A 21 -0.549 16.308 0.362 1.00 0.00 H ATOM 332 HA ALA A 21 0.433 13.771 -0.426 1.00 0.00 H ATOM 333 1HB ALA A 21 2.322 15.007 -1.395 1.00 0.00 H ATOM 334 2HB ALA A 21 0.761 15.780 -1.759 1.00 0.00 H ATOM 335 3HB ALA A 21 1.820 16.463 -0.504 1.00 0.00 H ATOM 336 N LYS A 22 2.105 15.182 2.051 1.00 0.00 N ATOM 337 CA LYS A 22 3.085 14.933 3.101 1.00 0.00 C ATOM 338 C LYS A 22 2.569 13.912 4.107 1.00 0.00 C ATOM 339 O LYS A 22 3.318 13.057 4.579 1.00 0.00 O ATOM 340 CB LYS A 22 3.450 16.236 3.814 1.00 0.00 C ATOM 341 CG LYS A 22 4.292 17.194 2.983 1.00 0.00 C ATOM 342 CD LYS A 22 4.580 18.480 3.744 1.00 0.00 C ATOM 343 CE LYS A 22 5.372 19.461 2.893 1.00 0.00 C ATOM 344 NZ LYS A 22 5.618 20.744 3.607 1.00 0.00 N ATOM 345 H LYS A 22 1.648 16.082 2.009 1.00 0.00 H ATOM 346 HA LYS A 22 3.993 14.541 2.641 1.00 0.00 H ATOM 347 1HB LYS A 22 2.538 16.758 4.106 1.00 0.00 H ATOM 348 2HB LYS A 22 4.003 16.009 4.726 1.00 0.00 H ATOM 349 1HG LYS A 22 5.237 16.716 2.722 1.00 0.00 H ATOM 350 2HG LYS A 22 3.763 17.438 2.062 1.00 0.00 H ATOM 351 1HD LYS A 22 3.640 18.946 4.041 1.00 0.00 H ATOM 352 2HD LYS A 22 5.151 18.250 4.643 1.00 0.00 H ATOM 353 1HE LYS A 22 6.331 19.019 2.626 1.00 0.00 H ATOM 354 2HE LYS A 22 4.825 19.671 1.974 1.00 0.00 H ATOM 355 1HZ LYS A 22 6.144 21.366 3.010 1.00 0.00 H ATOM 356 2HZ LYS A 22 4.734 21.173 3.844 1.00 0.00 H ATOM 357 3HZ LYS A 22 6.142 20.565 4.451 1.00 0.00 H ATOM 358 N ASP A 23 1.284 14.007 4.431 1.00 0.00 N ATOM 359 CA ASP A 23 0.646 13.046 5.323 1.00 0.00 C ATOM 360 C ASP A 23 0.734 11.632 4.764 1.00 0.00 C ATOM 361 O ASP A 23 1.014 10.682 5.494 1.00 0.00 O ATOM 362 CB ASP A 23 -0.820 13.420 5.554 1.00 0.00 C ATOM 363 CG ASP A 23 -0.987 14.653 6.431 1.00 0.00 C ATOM 364 OD1 ASP A 23 -0.042 15.024 7.086 1.00 0.00 O ATOM 365 OD2 ASP A 23 -2.057 15.213 6.437 1.00 0.00 O ATOM 366 H ASP A 23 0.735 14.764 4.050 1.00 0.00 H ATOM 367 HA ASP A 23 1.159 13.074 6.286 1.00 0.00 H ATOM 368 1HB ASP A 23 -1.304 13.606 4.595 1.00 0.00 H ATOM 369 2HB ASP A 23 -1.339 12.584 6.025 1.00 0.00 H ATOM 370 N LEU A 24 0.493 11.499 3.464 1.00 0.00 N ATOM 371 CA LEU A 24 0.607 10.211 2.791 1.00 0.00 C ATOM 372 C LEU A 24 2.037 9.689 2.839 1.00 0.00 C ATOM 373 O LEU A 24 2.269 8.508 3.099 1.00 0.00 O ATOM 374 CB LEU A 24 0.149 10.332 1.332 1.00 0.00 C ATOM 375 CG LEU A 24 -1.341 10.631 1.126 1.00 0.00 C ATOM 376 CD1 LEU A 24 -1.566 11.137 -0.293 1.00 0.00 C ATOM 377 CD2 LEU A 24 -2.153 9.372 1.391 1.00 0.00 C ATOM 378 H LEU A 24 0.224 12.312 2.928 1.00 0.00 H ATOM 379 HA LEU A 24 -0.043 9.497 3.299 1.00 0.00 H ATOM 380 1HB LEU A 24 0.716 11.131 0.856 1.00 0.00 H ATOM 381 2HB LEU A 24 0.375 9.398 0.818 1.00 0.00 H ATOM 382 HG LEU A 24 -1.654 11.416 1.814 1.00 0.00 H ATOM 383 1HD1 LEU A 24 -2.625 11.350 -0.440 1.00 0.00 H ATOM 384 2HD1 LEU A 24 -0.989 12.049 -0.449 1.00 0.00 H ATOM 385 3HD1 LEU A 24 -1.246 10.378 -1.005 1.00 0.00 H ATOM 386 1HD2 LEU A 24 -3.212 9.584 1.245 1.00 0.00 H ATOM 387 2HD2 LEU A 24 -1.842 8.586 0.703 1.00 0.00 H ATOM 388 3HD2 LEU A 24 -1.987 9.042 2.417 1.00 0.00 H ATOM 389 N LEU A 25 2.994 10.576 2.588 1.00 0.00 N ATOM 390 CA LEU A 25 4.403 10.201 2.579 1.00 0.00 C ATOM 391 C LEU A 25 4.867 9.769 3.964 1.00 0.00 C ATOM 392 O LEU A 25 5.643 8.824 4.102 1.00 0.00 O ATOM 393 CB LEU A 25 5.261 11.375 2.089 1.00 0.00 C ATOM 394 CG LEU A 25 5.136 11.712 0.597 1.00 0.00 C ATOM 395 CD1 LEU A 25 5.851 13.026 0.312 1.00 0.00 C ATOM 396 CD2 LEU A 25 5.725 10.579 -0.230 1.00 0.00 C ATOM 397 H LEU A 25 2.739 11.534 2.397 1.00 0.00 H ATOM 398 HA LEU A 25 4.535 9.366 1.890 1.00 0.00 H ATOM 399 1HB LEU A 25 4.987 12.264 2.653 1.00 0.00 H ATOM 400 2HB LEU A 25 6.307 11.149 2.291 1.00 0.00 H ATOM 401 HG LEU A 25 4.085 11.841 0.340 1.00 0.00 H ATOM 402 1HD1 LEU A 25 5.762 13.266 -0.748 1.00 0.00 H ATOM 403 2HD1 LEU A 25 5.397 13.822 0.903 1.00 0.00 H ATOM 404 3HD1 LEU A 25 6.903 12.932 0.576 1.00 0.00 H ATOM 405 1HD2 LEU A 25 5.636 10.818 -1.291 1.00 0.00 H ATOM 406 2HD2 LEU A 25 6.777 10.450 0.025 1.00 0.00 H ATOM 407 3HD2 LEU A 25 5.184 9.656 -0.020 1.00 0.00 H ATOM 408 N ARG A 26 4.387 10.467 4.987 1.00 0.00 N ATOM 409 CA ARG A 26 4.667 10.093 6.368 1.00 0.00 C ATOM 410 C ARG A 26 4.268 8.648 6.639 1.00 0.00 C ATOM 411 O ARG A 26 5.029 7.886 7.236 1.00 0.00 O ATOM 412 CB ARG A 26 3.927 11.009 7.332 1.00 0.00 C ATOM 413 CG ARG A 26 4.258 10.794 8.800 1.00 0.00 C ATOM 414 CD ARG A 26 3.558 11.775 9.670 1.00 0.00 C ATOM 415 NE ARG A 26 3.985 13.139 9.402 1.00 0.00 N ATOM 416 CZ ARG A 26 3.212 14.085 8.835 1.00 0.00 C ATOM 417 NH1 ARG A 26 1.977 13.801 8.483 1.00 0.00 N ATOM 418 NH2 ARG A 26 3.694 15.299 8.633 1.00 0.00 N ATOM 419 H ARG A 26 3.813 11.278 4.804 1.00 0.00 H ATOM 420 HA ARG A 26 5.738 10.199 6.546 1.00 0.00 H ATOM 421 1HB ARG A 26 4.152 12.047 7.092 1.00 0.00 H ATOM 422 2HB ARG A 26 2.852 10.871 7.212 1.00 0.00 H ATOM 423 1HG ARG A 26 3.952 9.792 9.099 1.00 0.00 H ATOM 424 2HG ARG A 26 5.332 10.907 8.952 1.00 0.00 H ATOM 425 1HD ARG A 26 2.484 11.714 9.497 1.00 0.00 H ATOM 426 2HD ARG A 26 3.771 11.550 10.715 1.00 0.00 H ATOM 427 HE ARG A 26 4.929 13.395 9.659 1.00 0.00 H ATOM 428 1HH1 ARG A 26 1.609 12.873 8.638 1.00 0.00 H ATOM 429 2HH1 ARG A 26 1.398 14.510 8.059 1.00 0.00 H ATOM 430 1HH2 ARG A 26 4.643 15.517 8.904 1.00 0.00 H ATOM 431 2HH2 ARG A 26 3.114 16.008 8.209 1.00 0.00 H ATOM 432 N LYS A 27 3.072 8.277 6.197 1.00 0.00 N ATOM 433 CA LYS A 27 2.603 6.902 6.319 1.00 0.00 C ATOM 434 C LYS A 27 3.423 5.961 5.446 1.00 0.00 C ATOM 435 O LYS A 27 3.534 4.769 5.734 1.00 0.00 O ATOM 436 CB LYS A 27 1.122 6.806 5.947 1.00 0.00 C ATOM 437 CG LYS A 27 0.179 7.467 6.944 1.00 0.00 C ATOM 438 CD LYS A 27 -1.270 7.344 6.500 1.00 0.00 C ATOM 439 CE LYS A 27 -2.215 7.988 7.503 1.00 0.00 C ATOM 440 NZ LYS A 27 -3.637 7.883 7.077 1.00 0.00 N ATOM 441 H LYS A 27 2.471 8.965 5.766 1.00 0.00 H ATOM 442 HA LYS A 27 2.705 6.592 7.359 1.00 0.00 H ATOM 443 1HB LYS A 27 0.960 7.270 4.974 1.00 0.00 H ATOM 444 2HB LYS A 27 0.835 5.757 5.861 1.00 0.00 H ATOM 445 1HG LYS A 27 0.293 6.996 7.921 1.00 0.00 H ATOM 446 2HG LYS A 27 0.433 8.523 7.039 1.00 0.00 H ATOM 447 1HD LYS A 27 -1.397 7.829 5.531 1.00 0.00 H ATOM 448 2HD LYS A 27 -1.530 6.290 6.396 1.00 0.00 H ATOM 449 1HE LYS A 27 -2.102 7.503 8.472 1.00 0.00 H ATOM 450 2HE LYS A 27 -1.960 9.042 7.618 1.00 0.00 H ATOM 451 1HZ LYS A 27 -4.229 8.322 7.768 1.00 0.00 H ATOM 452 2HZ LYS A 27 -3.757 8.346 6.187 1.00 0.00 H ATOM 453 3HZ LYS A 27 -3.890 6.910 6.986 1.00 0.00 H ATOM 454 N ALA A 28 3.998 6.503 4.378 1.00 0.00 N ATOM 455 CA ALA A 28 4.801 5.710 3.454 1.00 0.00 C ATOM 456 C ALA A 28 6.199 5.469 4.008 1.00 0.00 C ATOM 457 O ALA A 28 7.015 4.788 3.386 1.00 0.00 O ATOM 458 CB ALA A 28 4.880 6.396 2.098 1.00 0.00 C ATOM 459 H ALA A 28 3.875 7.490 4.201 1.00 0.00 H ATOM 460 HA ALA A 28 4.315 4.745 3.315 1.00 0.00 H ATOM 461 1HB ALA A 28 5.483 5.792 1.420 1.00 0.00 H ATOM 462 2HB ALA A 28 3.877 6.509 1.688 1.00 0.00 H ATOM 463 3HB ALA A 28 5.338 7.377 2.213 1.00 0.00 H ATOM 464 N GLY A 29 6.471 6.031 5.181 1.00 0.00 N ATOM 465 CA GLY A 29 7.724 5.775 5.882 1.00 0.00 C ATOM 466 C GLY A 29 8.709 6.920 5.686 1.00 0.00 C ATOM 467 O GLY A 29 9.920 6.737 5.803 1.00 0.00 O ATOM 468 H GLY A 29 5.792 6.652 5.598 1.00 0.00 H ATOM 469 1HA GLY A 29 7.525 5.639 6.945 1.00 0.00 H ATOM 470 2HA GLY A 29 8.162 4.847 5.516 1.00 0.00 H ATOM 471 N TYR A 30 8.182 8.102 5.386 1.00 0.00 N ATOM 472 CA TYR A 30 9.000 9.306 5.298 1.00 0.00 C ATOM 473 C TYR A 30 8.901 10.134 6.573 1.00 0.00 C ATOM 474 O TYR A 30 7.867 10.141 7.241 1.00 0.00 O ATOM 475 CB TYR A 30 8.589 10.146 4.087 1.00 0.00 C ATOM 476 CG TYR A 30 8.918 9.502 2.758 1.00 0.00 C ATOM 477 CD1 TYR A 30 8.228 8.372 2.345 1.00 0.00 C ATOM 478 CD2 TYR A 30 9.909 10.042 1.952 1.00 0.00 C ATOM 479 CE1 TYR A 30 8.528 7.784 1.132 1.00 0.00 C ATOM 480 CE2 TYR A 30 10.209 9.454 0.739 1.00 0.00 C ATOM 481 CZ TYR A 30 9.523 8.330 0.328 1.00 0.00 C ATOM 482 OH TYR A 30 9.822 7.744 -0.881 1.00 0.00 O ATOM 483 H TYR A 30 7.189 8.169 5.215 1.00 0.00 H ATOM 484 HA TYR A 30 10.042 9.008 5.178 1.00 0.00 H ATOM 485 1HB TYR A 30 7.514 10.330 4.119 1.00 0.00 H ATOM 486 2HB TYR A 30 9.088 11.113 4.129 1.00 0.00 H ATOM 487 HD1 TYR A 30 7.448 7.947 2.979 1.00 0.00 H ATOM 488 HD2 TYR A 30 10.452 10.930 2.277 1.00 0.00 H ATOM 489 HE1 TYR A 30 7.986 6.896 0.807 1.00 0.00 H ATOM 490 HE2 TYR A 30 10.989 9.878 0.106 1.00 0.00 H ATOM 491 HH TYR A 30 9.113 7.146 -1.129 1.00 0.00 H ATOM 492 N SER A 31 9.982 10.831 6.905 1.00 0.00 N ATOM 493 CA SER A 31 9.940 11.866 7.931 1.00 0.00 C ATOM 494 C SER A 31 9.354 13.161 7.384 1.00 0.00 C ATOM 495 O SER A 31 9.148 13.300 6.178 1.00 0.00 O ATOM 496 CB SER A 31 11.333 12.121 8.473 1.00 0.00 C ATOM 497 OG SER A 31 12.129 12.776 7.523 1.00 0.00 O ATOM 498 H SER A 31 10.855 10.639 6.436 1.00 0.00 H ATOM 499 HA SER A 31 9.304 11.520 8.747 1.00 0.00 H ATOM 500 1HB SER A 31 11.267 12.727 9.376 1.00 0.00 H ATOM 501 2HB SER A 31 11.796 11.174 8.747 1.00 0.00 H ATOM 502 HG SER A 31 12.839 12.167 7.307 1.00 0.00 H ATOM 503 N ASP A 32 9.085 14.107 8.277 1.00 0.00 N ATOM 504 CA ASP A 32 8.532 15.398 7.883 1.00 0.00 C ATOM 505 C ASP A 32 9.433 16.098 6.873 1.00 0.00 C ATOM 506 O ASP A 32 8.958 16.639 5.874 1.00 0.00 O ATOM 507 CB ASP A 32 8.337 16.294 9.109 1.00 0.00 C ATOM 508 CG ASP A 32 7.202 15.827 10.010 1.00 0.00 C ATOM 509 OD1 ASP A 32 6.416 15.021 9.572 1.00 0.00 O ATOM 510 OD2 ASP A 32 7.132 16.281 11.127 1.00 0.00 O ATOM 511 H ASP A 32 9.269 13.928 9.254 1.00 0.00 H ATOM 512 HA ASP A 32 7.557 15.231 7.426 1.00 0.00 H ATOM 513 1HB ASP A 32 9.258 16.319 9.692 1.00 0.00 H ATOM 514 2HB ASP A 32 8.128 17.314 8.784 1.00 0.00 H ATOM 515 N GLU A 33 10.734 16.084 7.139 1.00 0.00 N ATOM 516 CA GLU A 33 11.710 16.662 6.222 1.00 0.00 C ATOM 517 C GLU A 33 11.767 15.882 4.915 1.00 0.00 C ATOM 518 O GLU A 33 11.715 16.464 3.831 1.00 0.00 O ATOM 519 CB GLU A 33 13.096 16.695 6.869 1.00 0.00 C ATOM 520 CG GLU A 33 14.186 17.294 5.991 1.00 0.00 C ATOM 521 CD GLU A 33 15.524 17.346 6.674 1.00 0.00 C ATOM 522 OE1 GLU A 33 15.570 17.150 7.865 1.00 0.00 O ATOM 523 OE2 GLU A 33 16.501 17.584 6.004 1.00 0.00 O ATOM 524 H GLU A 33 11.057 15.662 7.998 1.00 0.00 H ATOM 525 HA GLU A 33 11.413 17.689 6.004 1.00 0.00 H ATOM 526 1HB GLU A 33 13.053 17.274 7.792 1.00 0.00 H ATOM 527 2HB GLU A 33 13.398 15.681 7.133 1.00 0.00 H ATOM 528 1HG GLU A 33 14.276 16.697 5.085 1.00 0.00 H ATOM 529 2HG GLU A 33 13.891 18.302 5.702 1.00 0.00 H ATOM 530 N GLU A 34 11.874 14.562 5.024 1.00 0.00 N ATOM 531 CA GLU A 34 12.003 13.705 3.852 1.00 0.00 C ATOM 532 C GLU A 34 10.776 13.809 2.955 1.00 0.00 C ATOM 533 O GLU A 34 10.885 13.763 1.730 1.00 0.00 O ATOM 534 CB GLU A 34 12.215 12.250 4.276 1.00 0.00 C ATOM 535 CG GLU A 34 13.587 11.961 4.869 1.00 0.00 C ATOM 536 CD GLU A 34 13.685 10.591 5.478 1.00 0.00 C ATOM 537 OE1 GLU A 34 12.667 10.041 5.823 1.00 0.00 O ATOM 538 OE2 GLU A 34 14.779 10.093 5.599 1.00 0.00 O ATOM 539 H GLU A 34 11.865 14.142 5.942 1.00 0.00 H ATOM 540 HA GLU A 34 12.879 14.024 3.285 1.00 0.00 H ATOM 541 1HB GLU A 34 11.466 11.974 5.018 1.00 0.00 H ATOM 542 2HB GLU A 34 12.079 11.596 3.414 1.00 0.00 H ATOM 543 1HG GLU A 34 14.337 12.051 4.083 1.00 0.00 H ATOM 544 2HG GLU A 34 13.807 12.709 5.630 1.00 0.00 H ATOM 545 N ALA A 35 9.608 13.949 3.573 1.00 0.00 N ATOM 546 CA ALA A 35 8.363 14.107 2.831 1.00 0.00 C ATOM 547 C ALA A 35 8.401 15.347 1.948 1.00 0.00 C ATOM 548 O ALA A 35 8.043 15.294 0.772 1.00 0.00 O ATOM 549 CB ALA A 35 7.182 14.175 3.788 1.00 0.00 C ATOM 550 H ALA A 35 9.583 13.946 4.583 1.00 0.00 H ATOM 551 HA ALA A 35 8.225 13.230 2.197 1.00 0.00 H ATOM 552 1HB ALA A 35 6.259 14.293 3.219 1.00 0.00 H ATOM 553 2HB ALA A 35 7.133 13.256 4.372 1.00 0.00 H ATOM 554 3HB ALA A 35 7.305 15.024 4.458 1.00 0.00 H ATOM 555 N GLU A 36 8.839 16.463 2.522 1.00 0.00 N ATOM 556 CA GLU A 36 8.990 17.703 1.770 1.00 0.00 C ATOM 557 C GLU A 36 9.988 17.538 0.632 1.00 0.00 C ATOM 558 O GLU A 36 9.706 17.899 -0.511 1.00 0.00 O ATOM 559 CB GLU A 36 9.439 18.836 2.695 1.00 0.00 C ATOM 560 CG GLU A 36 9.614 20.180 2.004 1.00 0.00 C ATOM 561 CD GLU A 36 10.001 21.281 2.952 1.00 0.00 C ATOM 562 OE1 GLU A 36 9.656 21.192 4.106 1.00 0.00 O ATOM 563 OE2 GLU A 36 10.641 22.211 2.522 1.00 0.00 O ATOM 564 H GLU A 36 9.072 16.451 3.505 1.00 0.00 H ATOM 565 HA GLU A 36 8.021 17.973 1.350 1.00 0.00 H ATOM 566 1HB GLU A 36 8.710 18.964 3.495 1.00 0.00 H ATOM 567 2HB GLU A 36 10.390 18.572 3.159 1.00 0.00 H ATOM 568 1HG GLU A 36 10.387 20.087 1.240 1.00 0.00 H ATOM 569 2HG GLU A 36 8.682 20.446 1.507 1.00 0.00 H ATOM 570 N ARG A 37 11.156 16.990 0.950 1.00 0.00 N ATOM 571 CA ARG A 37 12.205 16.792 -0.043 1.00 0.00 C ATOM 572 C ARG A 37 11.717 15.924 -1.196 1.00 0.00 C ATOM 573 O ARG A 37 11.988 16.213 -2.361 1.00 0.00 O ATOM 574 CB ARG A 37 13.428 16.147 0.592 1.00 0.00 C ATOM 575 CG ARG A 37 14.225 17.055 1.514 1.00 0.00 C ATOM 576 CD ARG A 37 15.445 16.382 2.029 1.00 0.00 C ATOM 577 NE ARG A 37 16.181 17.227 2.955 1.00 0.00 N ATOM 578 CZ ARG A 37 17.049 18.190 2.587 1.00 0.00 C ATOM 579 NH1 ARG A 37 17.279 18.416 1.313 1.00 0.00 N ATOM 580 NH2 ARG A 37 17.670 18.906 3.508 1.00 0.00 N ATOM 581 H ARG A 37 11.321 16.703 1.904 1.00 0.00 H ATOM 582 HA ARG A 37 12.496 17.767 -0.438 1.00 0.00 H ATOM 583 1HB ARG A 37 13.121 15.277 1.171 1.00 0.00 H ATOM 584 2HB ARG A 37 14.102 15.797 -0.190 1.00 0.00 H ATOM 585 1HG ARG A 37 14.531 17.949 0.969 1.00 0.00 H ATOM 586 2HG ARG A 37 13.607 17.343 2.365 1.00 0.00 H ATOM 587 1HD ARG A 37 15.163 15.469 2.552 1.00 0.00 H ATOM 588 2HD ARG A 37 16.103 16.135 1.197 1.00 0.00 H ATOM 589 HE ARG A 37 16.031 17.083 3.945 1.00 0.00 H ATOM 590 1HH1 ARG A 37 16.804 17.869 0.609 1.00 0.00 H ATOM 591 2HH1 ARG A 37 17.929 19.138 1.037 1.00 0.00 H ATOM 592 1HH2 ARG A 37 17.494 18.732 4.488 1.00 0.00 H ATOM 593 2HH2 ARG A 37 18.321 19.627 3.233 1.00 0.00 H ATOM 594 N TYR A 38 10.996 14.859 -0.863 1.00 0.00 N ATOM 595 CA TYR A 38 10.396 13.994 -1.872 1.00 0.00 C ATOM 596 C TYR A 38 9.548 14.796 -2.851 1.00 0.00 C ATOM 597 O TYR A 38 9.683 14.654 -4.066 1.00 0.00 O ATOM 598 CB TYR A 38 9.553 12.903 -1.209 1.00 0.00 C ATOM 599 CG TYR A 38 8.883 11.968 -2.192 1.00 0.00 C ATOM 600 CD1 TYR A 38 9.479 10.757 -2.513 1.00 0.00 C ATOM 601 CD2 TYR A 38 7.674 12.321 -2.771 1.00 0.00 C ATOM 602 CE1 TYR A 38 8.867 9.903 -3.411 1.00 0.00 C ATOM 603 CE2 TYR A 38 7.062 11.468 -3.668 1.00 0.00 C ATOM 604 CZ TYR A 38 7.654 10.263 -3.988 1.00 0.00 C ATOM 605 OH TYR A 38 7.045 9.413 -4.882 1.00 0.00 O ATOM 606 H TYR A 38 10.859 14.643 0.114 1.00 0.00 H ATOM 607 HA TYR A 38 11.197 13.502 -2.426 1.00 0.00 H ATOM 608 1HB TYR A 38 10.183 12.307 -0.548 1.00 0.00 H ATOM 609 2HB TYR A 38 8.779 13.363 -0.596 1.00 0.00 H ATOM 610 HD1 TYR A 38 10.429 10.479 -2.058 1.00 0.00 H ATOM 611 HD2 TYR A 38 7.206 13.273 -2.519 1.00 0.00 H ATOM 612 HE1 TYR A 38 9.335 8.952 -3.663 1.00 0.00 H ATOM 613 HE2 TYR A 38 6.111 11.746 -4.124 1.00 0.00 H ATOM 614 HH TYR A 38 7.201 8.504 -4.614 1.00 0.00 H ATOM 615 N LEU A 39 8.673 15.640 -2.314 1.00 0.00 N ATOM 616 CA LEU A 39 7.765 16.430 -3.138 1.00 0.00 C ATOM 617 C LEU A 39 8.531 17.424 -4.002 1.00 0.00 C ATOM 618 O LEU A 39 8.163 17.675 -5.149 1.00 0.00 O ATOM 619 CB LEU A 39 6.762 17.179 -2.252 1.00 0.00 C ATOM 620 CG LEU A 39 5.776 16.299 -1.473 1.00 0.00 C ATOM 621 CD1 LEU A 39 4.868 17.180 -0.626 1.00 0.00 C ATOM 622 CD2 LEU A 39 4.966 15.457 -2.448 1.00 0.00 C ATOM 623 H LEU A 39 8.635 15.736 -1.309 1.00 0.00 H ATOM 624 HA LEU A 39 7.212 15.753 -3.790 1.00 0.00 H ATOM 625 1HB LEU A 39 7.315 17.776 -1.530 1.00 0.00 H ATOM 626 2HB LEU A 39 6.179 17.853 -2.881 1.00 0.00 H ATOM 627 HG LEU A 39 6.328 15.643 -0.799 1.00 0.00 H ATOM 628 1HD1 LEU A 39 4.168 16.554 -0.072 1.00 0.00 H ATOM 629 2HD1 LEU A 39 5.472 17.756 0.076 1.00 0.00 H ATOM 630 3HD1 LEU A 39 4.314 17.859 -1.272 1.00 0.00 H ATOM 631 1HD2 LEU A 39 4.266 14.831 -1.894 1.00 0.00 H ATOM 632 2HD2 LEU A 39 4.413 16.112 -3.122 1.00 0.00 H ATOM 633 3HD2 LEU A 39 5.638 14.825 -3.028 1.00 0.00 H ATOM 634 N ARG A 40 9.596 17.987 -3.444 1.00 0.00 N ATOM 635 CA ARG A 40 10.459 18.898 -4.187 1.00 0.00 C ATOM 636 C ARG A 40 11.147 18.184 -5.343 1.00 0.00 C ATOM 637 O ARG A 40 11.422 18.786 -6.381 1.00 0.00 O ATOM 638 CB ARG A 40 11.512 19.505 -3.271 1.00 0.00 C ATOM 639 CG ARG A 40 10.984 20.532 -2.282 1.00 0.00 C ATOM 640 CD ARG A 40 12.075 21.110 -1.455 1.00 0.00 C ATOM 641 NE ARG A 40 11.570 22.068 -0.485 1.00 0.00 N ATOM 642 CZ ARG A 40 11.312 23.363 -0.752 1.00 0.00 C ATOM 643 NH1 ARG A 40 11.515 23.838 -1.961 1.00 0.00 N ATOM 644 NH2 ARG A 40 10.854 24.156 0.201 1.00 0.00 N ATOM 645 H ARG A 40 9.815 17.780 -2.479 1.00 0.00 H ATOM 646 HA ARG A 40 9.846 19.705 -4.589 1.00 0.00 H ATOM 647 1HB ARG A 40 11.996 18.714 -2.699 1.00 0.00 H ATOM 648 2HB ARG A 40 12.281 19.991 -3.872 1.00 0.00 H ATOM 649 1HG ARG A 40 10.498 21.343 -2.824 1.00 0.00 H ATOM 650 2HG ARG A 40 10.263 20.057 -1.615 1.00 0.00 H ATOM 651 1HD ARG A 40 12.583 20.312 -0.914 1.00 0.00 H ATOM 652 2HD ARG A 40 12.788 21.621 -2.101 1.00 0.00 H ATOM 653 HE ARG A 40 11.402 21.739 0.456 1.00 0.00 H ATOM 654 1HH1 ARG A 40 11.865 23.232 -2.690 1.00 0.00 H ATOM 655 2HH1 ARG A 40 11.321 24.809 -2.161 1.00 0.00 H ATOM 656 1HH2 ARG A 40 10.698 23.790 1.131 1.00 0.00 H ATOM 657 2HH2 ARG A 40 10.661 25.126 0.002 1.00 0.00 H ATOM 658 N ASN A 41 11.423 16.898 -5.158 1.00 0.00 N ATOM 659 CA ASN A 41 12.126 16.112 -6.165 1.00 0.00 C ATOM 660 C ASN A 41 11.180 15.658 -7.269 1.00 0.00 C ATOM 661 O ASN A 41 11.570 14.910 -8.165 1.00 0.00 O ATOM 662 CB ASN A 41 12.814 14.919 -5.527 1.00 0.00 C ATOM 663 CG ASN A 41 13.977 15.317 -4.661 1.00 0.00 C ATOM 664 OD1 ASN A 41 14.632 16.335 -4.909 1.00 0.00 O ATOM 665 ND2 ASN A 41 14.246 14.533 -3.648 1.00 0.00 N ATOM 666 H ASN A 41 11.138 16.453 -4.297 1.00 0.00 H ATOM 667 HA ASN A 41 12.906 16.733 -6.606 1.00 0.00 H ATOM 668 1HB ASN A 41 12.095 14.366 -4.919 1.00 0.00 H ATOM 669 2HB ASN A 41 13.170 14.245 -6.306 1.00 0.00 H ATOM 670 1HD2 ASN A 41 15.009 14.748 -3.038 1.00 0.00 H ATOM 671 2HD2 ASN A 41 13.689 13.719 -3.484 1.00 0.00 H ATOM 672 N LEU A 42 9.934 16.115 -7.199 1.00 0.00 N ATOM 673 CA LEU A 42 8.955 15.835 -8.242 1.00 0.00 C ATOM 674 C LEU A 42 9.009 16.884 -9.345 1.00 0.00 C ATOM 675 O LEU A 42 8.359 16.744 -10.380 1.00 0.00 O ATOM 676 CB LEU A 42 7.544 15.784 -7.644 1.00 0.00 C ATOM 677 CG LEU A 42 7.315 14.714 -6.568 1.00 0.00 C ATOM 678 CD1 LEU A 42 5.892 14.824 -6.038 1.00 0.00 C ATOM 679 CD2 LEU A 42 7.574 13.336 -7.159 1.00 0.00 C ATOM 680 H LEU A 42 9.659 16.671 -6.402 1.00 0.00 H ATOM 681 HA LEU A 42 9.182 14.860 -8.676 1.00 0.00 H ATOM 682 1HB LEU A 42 7.319 16.753 -7.201 1.00 0.00 H ATOM 683 2HB LEU A 42 6.832 15.602 -8.449 1.00 0.00 H ATOM 684 HG LEU A 42 7.996 14.886 -5.734 1.00 0.00 H ATOM 685 1HD1 LEU A 42 5.729 14.064 -5.273 1.00 0.00 H ATOM 686 2HD1 LEU A 42 5.740 15.812 -5.604 1.00 0.00 H ATOM 687 3HD1 LEU A 42 5.187 14.673 -6.854 1.00 0.00 H ATOM 688 1HD2 LEU A 42 7.412 12.576 -6.394 1.00 0.00 H ATOM 689 2HD2 LEU A 42 6.892 13.164 -7.992 1.00 0.00 H ATOM 690 3HD2 LEU A 42 8.603 13.280 -7.514 1.00 0.00 H ATOM 691 N ASP A 43 9.789 17.936 -9.116 1.00 0.00 N ATOM 692 CA ASP A 43 9.906 19.025 -10.077 1.00 0.00 C ATOM 693 C ASP A 43 11.271 19.017 -10.755 1.00 0.00 C ATOM 694 O ASP A 43 12.265 18.592 -10.166 1.00 0.00 O ATOM 695 OXT ASP A 43 11.386 19.428 -11.876 1.00 0.00 O ATOM 696 CB ASP A 43 9.679 20.374 -9.390 1.00 0.00 C ATOM 697 CG ASP A 43 8.257 20.544 -8.874 1.00 0.00 C ATOM 698 OD1 ASP A 43 7.344 20.170 -9.572 1.00 0.00 O ATOM 699 OD2 ASP A 43 8.097 21.046 -7.787 1.00 0.00 O ATOM 700 H ASP A 43 10.313 17.981 -8.254 1.00 0.00 H ATOM 701 HA ASP A 43 9.157 18.881 -10.858 1.00 0.00 H ATOM 702 1HB ASP A 43 10.369 20.476 -8.552 1.00 0.00 H ATOM 703 2HB ASP A 43 9.895 21.181 -10.091 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE nods_bigger.blueprint.34_try82_pass_20151109053622_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_intra_sol_xover4 lk_ball_wtd fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 rama omega fa_dun p_aa_pp yhh_planarity ref total weights 1 0.55 1 0.005 1 1 1 1.25 1.17 1.17 1.17 1.1 1.25 0.25 0.625 0.7 0.4 0.625 1 NA pose -216.258 19.9945 129.96 0.40164 8.27359 0.56008 -46.2614 0.03923 -27.1228 -1.3513 -5.61491 -15.5118 0 -7.71514 3.33199 68.6819 -7.83415 0.2585 -20.6659 -116.834 GLU:NtermProteinFull_1 -3.9103 0.63468 4.26281 0.00728 0.28193 0.39815 -3.15414 0.00347 0 0 -0.60436 -0.79098 0 0 0.11196 2.64372 0 0 -2.28137 -2.39714 PRO_2 -3.55082 0.62859 1.53204 0.00156 0.0206 -0.03047 -0.1937 0.03575 0 0 0 0 0 0.037 0.0009 0.08539 -0.51706 0 -0.97642 -2.92664 ARG_3 -3.90449 0.4136 3.4054 0.01339 0.30886 0.31031 -1.77738 0 0 0 0 -0.79098 0 -0.24023 0.02355 2.63718 -0.10772 0 -0.4 -0.10849 GLU_4 -4.3694 0.22733 4.03103 0.00582 0.22756 0.05479 -1.39614 0 0 0 -0.60436 0 0 -0.31377 0.05619 3.21221 -0.18004 0 -2.28137 -1.33017 LEU_5 -6.66429 0.63607 1.74318 0.01336 0.02836 -0.01534 -0.30847 0 0 0 0 0 0 -0.14314 0.04323 0.28168 -0.15354 0 1.68043 -2.85848 GLU_6 -6.73496 0.65892 4.6379 0.00642 0.19981 -0.12752 -2.43958 0 0 0 0 -0.92657 0 -0.26036 0.00123 3.35838 -0.14752 0 -2.28137 -4.05524 LYS_7 -4.06445 0.26109 2.9994 0.00627 0.06965 -0.06153 -0.35523 0 0 0 0 0 0 -0.13068 0.07042 1.22388 -0.04115 0 -0.47142 -0.49374 GLU_8 -5.20295 0.53176 3.7905 0.00863 0.29384 0.0854 -2.15634 0 0 0 0 -0.84867 0 -0.3069 0.00351 3.52631 -0.15757 0 -2.28137 -2.71386 ALA_9 -5.7688 0.48132 1.3485 0.00083 0 -0.00241 -0.47547 0 0 0 0 0 0 -0.2392 0.03396 0 -0.24577 0 1.56209 -3.30493 GLN_10 -5.8949 0.48263 3.69684 0.00631 0.15893 -0.17647 -0.89915 0 0 0 0 -0.70337 0 -0.17801 0.10588 2.59083 -0.14383 0 -1.60738 -2.56168 GLU_11 -5.5643 0.3817 5.20283 0.01222 0.86072 0.129 -2.33742 0 0 0 0 -1.20556 0 -0.19605 0.03237 3.25341 -0.13383 0 -2.28137 -1.8463 ALA_12 -5.59083 0.18741 2.52184 0.00083 0 -0.05403 -0.66142 0 0 0 0 0 0 -0.22951 0.06753 0 -0.24831 0 1.56209 -2.4444 TYR_13 -7.13764 0.68843 3.18807 0.026 0.18623 0.1302 -1.44519 0 0 0 0 -0.54514 0 -0.04122 0.01012 1.90629 -0.03318 0.00166 0.21729 -2.84809 ARG_14 -4.41092 0.31621 4.27264 0.01632 0.36142 -0.1271 -1.50841 0 0 0 0 -0.35751 0 -0.26639 0.02121 1.79952 -0.07161 0 -0.4 -0.35464 GLN_15 -3.48063 0.36168 2.73683 0.00685 0.19074 0.10711 -0.72717 0 0 0 0 -0.84805 0 -0.3244 0.01723 2.55496 -0.113 0 -1.60738 -1.12523 GLY_16 -1.73624 0.26634 1.75561 1e-05 0 -0.01182 -0.35286 0 0 0 0 0 0 -0.47777 0.14473 0 -1.00344 0 0.8121 -0.60333 ASP_17 -4.79589 0.38595 4.26702 0.01124 0.65667 -0.14452 -1.30202 0 0 0 -0.58876 0 0 -0.09845 0.00162 1.88878 -0.54377 0 -2.00354 -2.26566 GLU_18 -4.26228 0.265 2.896 0.0068 0.21604 -0.06435 -0.62867 0 0 0 0 0 0 -0.35544 0.00044 2.70167 -0.18058 0 -2.28137 -1.68676 ASP_19 -3.1645 0.19751 3.10156 0.0036 0.23028 -0.10913 -0.10622 0 0 0 0 0 0 0.08681 0.07658 1.70585 0.08818 0 -2.00354 0.10698 ARG_20 -6.08768 0.45349 4.57776 0.02031 0.49055 -0.15033 -2.20903 0 0 0 -0.58876 -0.84867 0 -0.19982 0.04011 2.47664 -0.10734 0 -0.4 -2.53276 ALA_21 -6.09163 0.55922 1.20441 0.0008 0 -0.01142 -0.3839 0 0 0 0 0 0 -0.12629 0.03263 0 -0.18255 0 1.56209 -3.43663 LYS_22 -6.42064 0.35841 4.02955 0.00631 0.07306 -0.40441 -1.10392 0 0 0 0 0 0 -0.27009 0.07882 0.97584 -0.0409 0 -0.47142 -3.18939 ASP_23 -4.69987 0.33662 4.58791 0.00363 0.23745 -0.09044 -1.355 0 0 0 0 -0.38887 0 -0.11497 0.05587 1.60554 0.06036 0 -2.00354 -1.7653 LEU_24 -8.69345 0.94592 2.373 0.0107 0.02522 -0.34272 -0.31086 0 0 0 0 0 0 -0.11869 0.00752 0.99841 -0.14536 0 1.68043 -3.56988 LEU_25 -8.99264 1.3319 0.84682 0.01312 0.02855 -0.02895 -0.38269 0 0 0 0 0 0 -0.15223 0.15048 0.32286 -0.15215 0 1.68043 -5.33451 ARG_26 -5.26146 0.60295 5.3047 0.02427 0.56236 0.23389 -3.06551 0 0 0 0 -0.98411 0 -0.05272 0.0896 2.44591 -0.13986 0 -0.4 -0.63998 LYS_27 -3.16786 0.40671 1.72666 0.00644 0.07766 -0.00977 0.01587 0 0 0 0 0 0 -0.34536 0.00163 0.86711 -0.04918 0 -0.47142 -0.94152 ALA_28 -4.37604 0.48063 0.82419 0.00151 0 0.01445 -0.05303 0 0 0 0 0 0 -0.22568 0.22164 0 -0.07959 0 1.56209 -1.62984 GLY_29 -1.69602 0.25646 1.42954 3e-05 0 -0.01556 0.11736 0 0 0 0 0 0 -0.12207 0.22061 0 -1.01563 0 0.8121 -0.01319 TYR_30 -7.34949 0.77677 2.4379 0.03038 0.17082 0.00416 -1.20801 0 0 0 0 -0.39784 0 -0.21683 1.01538 2.3227 -0.23298 0.04655 0.21729 -2.38321 SER_31 -3.86743 0.38105 3.87661 0.00153 0.04855 0.05693 -1.52404 0 0 0 -1.61433 0 0 -0.26234 0.00179 0.1462 -0.35068 0 0.5 -2.60616 ASP_32 -2.47136 0.05964 2.56651 0.00357 0.23636 0.1914 -1.68917 0 0 0 0 -0.59523 0 -0.0695 0.05498 1.61944 0.06013 0 -2.00354 -2.03677 GLU_33 -3.81914 0.20174 3.52633 0.0093 0.26231 0.33705 -1.42789 0 0 0 0 -0.87102 0 -0.16832 0.05633 2.86295 -0.12954 0 -2.28137 -1.44126 GLU_34 -5.47852 0.41527 4.31828 0.00672 0.22384 0.14031 -1.22874 0 0 0 -1.61433 0 0 -0.31908 0.03011 2.87416 -0.14553 0 -2.28137 -3.05888 ALA_35 -5.41335 0.50078 1.90258 0.0008 0 0.00205 -0.42317 0 0 0 0 0 0 -0.1054 0.06444 0 -0.16629 0 1.56209 -2.07548 GLU_36 -5.23537 0.21447 4.71204 0.00857 0.25408 0.15305 -1.80408 0 0 0 0 -0.88048 0 -0.14751 0.00402 2.98363 -0.13585 0 -2.28137 -2.15481 ARG_37 -5.36155 0.22857 4.4951 0.01449 0.22716 0.26373 -1.58138 0 0 0 0 -0.87102 0 -0.17557 0.10048 2.12405 -0.12141 0 -0.4 -1.05734 TYR_38 -8.31793 0.65959 2.97843 0.03099 0.2037 0.024 -1.46799 0 0 0 0 -1.23209 0 0.08425 0.03517 1.93216 -0.114 0.21029 0.21729 -4.75613 LEU_39 -8.24778 1.26298 0.72122 0.01665 0.03057 -0.05378 -0.12375 0 0 0 0 0 0 -0.15967 0.07596 0.46302 -0.15628 0 1.68043 -4.49042 ARG_40 -4.55164 0.39014 4.05938 0.01449 0.23133 0.28991 -1.55048 0 0 0 0 -0.88048 0 -0.29395 0.03629 1.93139 -0.10178 0 -0.4 -0.8254 ASN_41 -3.1263 0.23544 2.57937 0.00548 0.22136 -0.19223 -0.25283 0 0 0 0 0 0 -0.20917 0.12334 1.80975 -0.29112 0 -1.09912 -0.19603 LEU_42 -5.15524 0.82677 0.85741 0.01514 0.03802 -0.15675 -0.03207 0 0 0 0 0 0 -0.26641 0.01213 0.1033 -0.16288 0 1.68043 -2.24014 ASP:CtermProteinFull_43 -2.16666 0.10274 2.63433 0.00269 0.339 0.01522 -0.99217 0 0 0 0 -0.54514 0 0 0 2.44672 0 0 -2.00354 -0.16681 #END_POSE_ENERGIES_TABLE nods_bigger.blueprint.34_try82_pass_20151109053622_0001.pdb AlaCount 5 bb -0.0314182 buried_minus_exposed 3537.76 buried_np 4994.38 buried_over_exposed 3.42872 cavity_volume 0 contact_all 262 contact_core_SASA 262 contact_core_SCN 131 degree 10.3953 exposed_hydrophobics 1456.62 exposed_polars 1716.26 exposed_total 3172.88 fxn_exposed_is_np 0.459085 holes -1.50955 mismatch_probability 0.171264 pack 0.679015 percent_core_SASA 0.0232504 percent_core_SCN 0.186003 res_count_core_SASA 1 res_count_core_SCN 8 sidechain_neighbors -86.265 ss_sc 0.815188 unsat_hbond 2
HHH_rd3_0134.pdb
ATOM 1 N SER A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA SER A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C SER A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O SER A 1 2.031 2.088 -1.034 1.00 0.00 O ATOM 5 CB SER A 1 1.980 -0.754 -1.207 1.00 0.00 C ATOM 6 OG SER A 1 3.373 -0.642 -1.306 1.00 0.00 O ATOM 7 1H SER A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 8 2H SER A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 9 3H SER A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 10 HA SER A 1 1.804 -0.502 0.903 1.00 0.00 H ATOM 11 1HB SER A 1 1.702 -1.805 -1.128 1.00 0.00 H ATOM 12 2HB SER A 1 1.516 -0.361 -2.111 1.00 0.00 H ATOM 13 HG SER A 1 3.731 -1.452 -0.936 1.00 0.00 H ATOM 14 N PRO A 2 2.453 1.877 1.166 1.00 0.00 N ATOM 15 CA PRO A 2 3.075 3.190 1.287 1.00 0.00 C ATOM 16 C PRO A 2 4.224 3.349 0.300 1.00 0.00 C ATOM 17 O PRO A 2 4.513 4.454 -0.159 1.00 0.00 O ATOM 18 CB PRO A 2 3.570 3.204 2.737 1.00 0.00 C ATOM 19 CG PRO A 2 2.641 2.282 3.450 1.00 0.00 C ATOM 20 CD PRO A 2 2.384 1.173 2.464 1.00 0.00 C ATOM 21 HA PRO A 2 2.323 3.950 1.074 1.00 0.00 H ATOM 22 1HB PRO A 2 4.618 2.871 2.780 1.00 0.00 H ATOM 23 2HB PRO A 2 3.543 4.229 3.134 1.00 0.00 H ATOM 24 1HG PRO A 2 3.102 1.923 4.381 1.00 0.00 H ATOM 25 2HG PRO A 2 1.722 2.816 3.736 1.00 0.00 H ATOM 26 1HD PRO A 2 3.169 0.408 2.560 1.00 0.00 H ATOM 27 2HD PRO A 2 1.392 0.738 2.652 1.00 0.00 H ATOM 28 N GLU A 3 4.878 2.238 -0.023 1.00 0.00 N ATOM 29 CA GLU A 3 5.994 2.251 -0.961 1.00 0.00 C ATOM 30 C GLU A 3 5.519 2.544 -2.378 1.00 0.00 C ATOM 31 O GLU A 3 6.082 3.393 -3.069 1.00 0.00 O ATOM 32 CB GLU A 3 6.734 0.912 -0.928 1.00 0.00 C ATOM 33 CG GLU A 3 7.937 0.835 -1.858 1.00 0.00 C ATOM 34 CD GLU A 3 9.024 1.806 -1.490 1.00 0.00 C ATOM 35 OE1 GLU A 3 8.983 2.329 -0.402 1.00 0.00 O ATOM 36 OE2 GLU A 3 9.896 2.024 -2.297 1.00 0.00 O ATOM 37 H GLU A 3 4.594 1.362 0.392 1.00 0.00 H ATOM 38 HA GLU A 3 6.692 3.031 -0.658 1.00 0.00 H ATOM 39 1HB GLU A 3 7.082 0.713 0.086 1.00 0.00 H ATOM 40 2HB GLU A 3 6.048 0.110 -1.202 1.00 0.00 H ATOM 41 1HG GLU A 3 8.343 -0.176 -1.827 1.00 0.00 H ATOM 42 2HG GLU A 3 7.608 1.034 -2.877 1.00 0.00 H ATOM 43 N ALA A 4 4.478 1.837 -2.806 1.00 0.00 N ATOM 44 CA ALA A 4 3.867 2.084 -4.107 1.00 0.00 C ATOM 45 C ALA A 4 3.317 3.502 -4.197 1.00 0.00 C ATOM 46 O ALA A 4 3.368 4.132 -5.253 1.00 0.00 O ATOM 47 CB ALA A 4 2.764 1.071 -4.375 1.00 0.00 C ATOM 48 H ALA A 4 4.101 1.110 -2.216 1.00 0.00 H ATOM 49 HA ALA A 4 4.628 1.955 -4.877 1.00 0.00 H ATOM 50 1HB ALA A 4 2.318 1.268 -5.350 1.00 0.00 H ATOM 51 2HB ALA A 4 3.184 0.065 -4.366 1.00 0.00 H ATOM 52 3HB ALA A 4 2.000 1.152 -3.603 1.00 0.00 H ATOM 53 N LYS A 5 2.790 3.998 -3.082 1.00 0.00 N ATOM 54 CA LYS A 5 2.309 5.373 -3.009 1.00 0.00 C ATOM 55 C LYS A 5 3.405 6.361 -3.385 1.00 0.00 C ATOM 56 O LYS A 5 3.239 7.168 -4.299 1.00 0.00 O ATOM 57 CB LYS A 5 1.781 5.681 -1.606 1.00 0.00 C ATOM 58 CG LYS A 5 1.207 7.082 -1.444 1.00 0.00 C ATOM 59 CD LYS A 5 0.693 7.308 -0.031 1.00 0.00 C ATOM 60 CE LYS A 5 0.022 8.667 0.105 1.00 0.00 C ATOM 61 NZ LYS A 5 1.008 9.781 0.071 1.00 0.00 N ATOM 62 H LYS A 5 2.722 3.409 -2.265 1.00 0.00 H ATOM 63 HA LYS A 5 1.480 5.487 -3.708 1.00 0.00 H ATOM 64 1HB LYS A 5 1.000 4.966 -1.346 1.00 0.00 H ATOM 65 2HB LYS A 5 2.586 5.564 -0.881 1.00 0.00 H ATOM 66 1HG LYS A 5 1.979 7.820 -1.664 1.00 0.00 H ATOM 67 2HG LYS A 5 0.386 7.222 -2.147 1.00 0.00 H ATOM 68 1HD LYS A 5 -0.028 6.530 0.224 1.00 0.00 H ATOM 69 2HD LYS A 5 1.524 7.253 0.672 1.00 0.00 H ATOM 70 1HE LYS A 5 -0.689 8.804 -0.709 1.00 0.00 H ATOM 71 2HE LYS A 5 -0.525 8.711 1.047 1.00 0.00 H ATOM 72 1HZ LYS A 5 0.525 10.663 0.164 1.00 0.00 H ATOM 73 2HZ LYS A 5 1.663 9.674 0.834 1.00 0.00 H ATOM 74 3HZ LYS A 5 1.508 9.762 -0.806 1.00 0.00 H ATOM 75 N ARG A 6 4.526 6.293 -2.674 1.00 0.00 N ATOM 76 CA ARG A 6 5.666 7.156 -2.957 1.00 0.00 C ATOM 77 C ARG A 6 6.092 7.045 -4.416 1.00 0.00 C ATOM 78 O ARG A 6 6.276 8.054 -5.097 1.00 0.00 O ATOM 79 CB ARG A 6 6.843 6.800 -2.060 1.00 0.00 C ATOM 80 CG ARG A 6 8.086 7.649 -2.270 1.00 0.00 C ATOM 81 CD ARG A 6 9.219 7.181 -1.430 1.00 0.00 C ATOM 82 NE ARG A 6 9.689 5.867 -1.838 1.00 0.00 N ATOM 83 CZ ARG A 6 10.521 5.640 -2.874 1.00 0.00 C ATOM 84 NH1 ARG A 6 10.963 6.647 -3.595 1.00 0.00 N ATOM 85 NH2 ARG A 6 10.891 4.406 -3.165 1.00 0.00 N ATOM 86 H ARG A 6 4.589 5.627 -1.918 1.00 0.00 H ATOM 87 HA ARG A 6 5.378 8.188 -2.755 1.00 0.00 H ATOM 88 1HB ARG A 6 6.547 6.900 -1.017 1.00 0.00 H ATOM 89 2HB ARG A 6 7.123 5.759 -2.223 1.00 0.00 H ATOM 90 1HG ARG A 6 8.390 7.598 -3.315 1.00 0.00 H ATOM 91 2HG ARG A 6 7.869 8.685 -2.006 1.00 0.00 H ATOM 92 1HD ARG A 6 10.048 7.882 -1.515 1.00 0.00 H ATOM 93 2HD ARG A 6 8.900 7.121 -0.390 1.00 0.00 H ATOM 94 HE ARG A 6 9.371 5.068 -1.307 1.00 0.00 H ATOM 95 1HH1 ARG A 6 10.679 7.591 -3.372 1.00 0.00 H ATOM 96 2HH1 ARG A 6 11.586 6.477 -4.371 1.00 0.00 H ATOM 97 1HH2 ARG A 6 10.551 3.632 -2.611 1.00 0.00 H ATOM 98 2HH2 ARG A 6 11.514 4.236 -3.941 1.00 0.00 H ATOM 99 N ILE A 7 6.246 5.814 -4.890 1.00 0.00 N ATOM 100 CA ILE A 7 6.723 5.569 -6.246 1.00 0.00 C ATOM 101 C ILE A 7 5.784 6.180 -7.278 1.00 0.00 C ATOM 102 O ILE A 7 6.223 6.864 -8.202 1.00 0.00 O ATOM 103 CB ILE A 7 6.868 4.060 -6.513 1.00 0.00 C ATOM 104 CG1 ILE A 7 8.001 3.474 -5.666 1.00 0.00 C ATOM 105 CG2 ILE A 7 7.117 3.803 -7.991 1.00 0.00 C ATOM 106 CD1 ILE A 7 8.011 1.963 -5.620 1.00 0.00 C ATOM 107 H ILE A 7 6.028 5.027 -4.296 1.00 0.00 H ATOM 108 HA ILE A 7 7.707 6.026 -6.354 1.00 0.00 H ATOM 109 HB ILE A 7 5.954 3.548 -6.214 1.00 0.00 H ATOM 110 1HG1 ILE A 7 8.960 3.810 -6.059 1.00 0.00 H ATOM 111 2HG1 ILE A 7 7.920 3.845 -4.644 1.00 0.00 H ATOM 112 1HG2 ILE A 7 7.218 2.731 -8.162 1.00 0.00 H ATOM 113 2HG2 ILE A 7 6.279 4.185 -8.573 1.00 0.00 H ATOM 114 3HG2 ILE A 7 8.033 4.307 -8.299 1.00 0.00 H ATOM 115 1HD1 ILE A 7 8.841 1.623 -5.000 1.00 0.00 H ATOM 116 2HD1 ILE A 7 7.072 1.606 -5.196 1.00 0.00 H ATOM 117 3HD1 ILE A 7 8.127 1.570 -6.629 1.00 0.00 H ATOM 118 N PHE A 8 4.490 5.929 -7.116 1.00 0.00 N ATOM 119 CA PHE A 8 3.482 6.490 -8.008 1.00 0.00 C ATOM 120 C PHE A 8 3.613 8.005 -8.103 1.00 0.00 C ATOM 121 O PHE A 8 3.669 8.565 -9.197 1.00 0.00 O ATOM 122 CB PHE A 8 2.077 6.124 -7.525 1.00 0.00 C ATOM 123 CG PHE A 8 0.977 6.740 -8.341 1.00 0.00 C ATOM 124 CD1 PHE A 8 0.595 6.181 -9.552 1.00 0.00 C ATOM 125 CD2 PHE A 8 0.321 7.879 -7.900 1.00 0.00 C ATOM 126 CE1 PHE A 8 -0.417 6.747 -10.303 1.00 0.00 C ATOM 127 CE2 PHE A 8 -0.692 8.446 -8.648 1.00 0.00 C ATOM 128 CZ PHE A 8 -1.061 7.880 -9.852 1.00 0.00 C ATOM 129 H PHE A 8 4.196 5.333 -6.355 1.00 0.00 H ATOM 130 HA PHE A 8 3.624 6.064 -9.002 1.00 0.00 H ATOM 131 1HB PHE A 8 1.955 5.042 -7.551 1.00 0.00 H ATOM 132 2HB PHE A 8 1.954 6.443 -6.491 1.00 0.00 H ATOM 133 HD1 PHE A 8 1.104 5.285 -9.909 1.00 0.00 H ATOM 134 HD2 PHE A 8 0.612 8.327 -6.949 1.00 0.00 H ATOM 135 HE1 PHE A 8 -0.706 6.298 -11.253 1.00 0.00 H ATOM 136 HE2 PHE A 8 -1.200 9.341 -8.290 1.00 0.00 H ATOM 137 HZ PHE A 8 -1.859 8.327 -10.444 1.00 0.00 H ATOM 138 N GLU A 9 3.661 8.663 -6.949 1.00 0.00 N ATOM 139 CA GLU A 9 3.749 10.117 -6.900 1.00 0.00 C ATOM 140 C GLU A 9 4.972 10.621 -7.657 1.00 0.00 C ATOM 141 O GLU A 9 4.880 11.555 -8.453 1.00 0.00 O ATOM 142 CB GLU A 9 3.801 10.600 -5.449 1.00 0.00 C ATOM 143 CG GLU A 9 2.507 10.398 -4.673 1.00 0.00 C ATOM 144 CD GLU A 9 2.662 10.657 -3.200 1.00 0.00 C ATOM 145 OE1 GLU A 9 3.710 11.107 -2.802 1.00 0.00 O ATOM 146 OE2 GLU A 9 1.731 10.405 -2.472 1.00 0.00 O ATOM 147 H GLU A 9 3.636 8.142 -6.084 1.00 0.00 H ATOM 148 HA GLU A 9 2.855 10.534 -7.365 1.00 0.00 H ATOM 149 1HB GLU A 9 4.595 10.074 -4.919 1.00 0.00 H ATOM 150 2HB GLU A 9 4.042 11.663 -5.428 1.00 0.00 H ATOM 151 1HG GLU A 9 1.748 11.071 -5.071 1.00 0.00 H ATOM 152 2HG GLU A 9 2.162 9.376 -4.823 1.00 0.00 H ATOM 153 N GLU A 10 6.117 9.996 -7.404 1.00 0.00 N ATOM 154 CA GLU A 10 7.368 10.405 -8.031 1.00 0.00 C ATOM 155 C GLU A 10 7.315 10.212 -9.541 1.00 0.00 C ATOM 156 O GLU A 10 7.783 11.060 -10.302 1.00 0.00 O ATOM 157 CB GLU A 10 8.541 9.615 -7.447 1.00 0.00 C ATOM 158 CG GLU A 10 8.876 9.962 -6.003 1.00 0.00 C ATOM 159 CD GLU A 10 9.960 9.093 -5.428 1.00 0.00 C ATOM 160 OE1 GLU A 10 10.499 8.292 -6.153 1.00 0.00 O ATOM 161 OE2 GLU A 10 10.249 9.231 -4.263 1.00 0.00 O ATOM 162 H GLU A 10 6.121 9.218 -6.760 1.00 0.00 H ATOM 163 HA GLU A 10 7.532 11.462 -7.819 1.00 0.00 H ATOM 164 1HB GLU A 10 8.320 8.549 -7.492 1.00 0.00 H ATOM 165 2HB GLU A 10 9.433 9.790 -8.048 1.00 0.00 H ATOM 166 1HG GLU A 10 9.197 11.003 -5.955 1.00 0.00 H ATOM 167 2HG GLU A 10 7.976 9.861 -5.398 1.00 0.00 H ATOM 168 N LEU A 11 6.744 9.092 -9.970 1.00 0.00 N ATOM 169 CA LEU A 11 6.596 8.802 -11.391 1.00 0.00 C ATOM 170 C LEU A 11 5.779 9.881 -12.091 1.00 0.00 C ATOM 171 O LEU A 11 6.167 10.379 -13.148 1.00 0.00 O ATOM 172 CB LEU A 11 5.926 7.437 -11.587 1.00 0.00 C ATOM 173 CG LEU A 11 6.796 6.216 -11.263 1.00 0.00 C ATOM 174 CD1 LEU A 11 5.934 4.960 -11.272 1.00 0.00 C ATOM 175 CD2 LEU A 11 7.925 6.112 -12.278 1.00 0.00 C ATOM 176 H LEU A 11 6.403 8.423 -9.294 1.00 0.00 H ATOM 177 HA LEU A 11 7.589 8.767 -11.842 1.00 0.00 H ATOM 178 1HB LEU A 11 5.041 7.390 -10.955 1.00 0.00 H ATOM 179 2HB LEU A 11 5.609 7.351 -12.627 1.00 0.00 H ATOM 180 HG LEU A 11 7.217 6.324 -10.262 1.00 0.00 H ATOM 181 1HD1 LEU A 11 6.553 4.093 -11.041 1.00 0.00 H ATOM 182 2HD1 LEU A 11 5.148 5.054 -10.523 1.00 0.00 H ATOM 183 3HD1 LEU A 11 5.486 4.834 -12.256 1.00 0.00 H ATOM 184 1HD2 LEU A 11 8.544 5.244 -12.047 1.00 0.00 H ATOM 185 2HD2 LEU A 11 7.505 6.002 -13.278 1.00 0.00 H ATOM 186 3HD2 LEU A 11 8.535 7.014 -12.238 1.00 0.00 H ATOM 187 N VAL A 12 4.647 10.238 -11.495 1.00 0.00 N ATOM 188 CA VAL A 12 3.805 11.304 -12.026 1.00 0.00 C ATOM 189 C VAL A 12 4.566 12.621 -12.101 1.00 0.00 C ATOM 190 O VAL A 12 4.476 13.345 -13.093 1.00 0.00 O ATOM 191 CB VAL A 12 2.555 11.486 -11.144 1.00 0.00 C ATOM 192 CG1 VAL A 12 1.797 12.742 -11.549 1.00 0.00 C ATOM 193 CG2 VAL A 12 1.663 10.259 -11.250 1.00 0.00 C ATOM 194 H VAL A 12 4.362 9.759 -10.653 1.00 0.00 H ATOM 195 HA VAL A 12 3.487 11.026 -13.031 1.00 0.00 H ATOM 196 HB VAL A 12 2.869 11.621 -10.109 1.00 0.00 H ATOM 197 1HG1 VAL A 12 0.916 12.855 -10.916 1.00 0.00 H ATOM 198 2HG1 VAL A 12 2.443 13.611 -11.431 1.00 0.00 H ATOM 199 3HG1 VAL A 12 1.485 12.658 -12.590 1.00 0.00 H ATOM 200 1HG2 VAL A 12 0.782 10.395 -10.624 1.00 0.00 H ATOM 201 2HG2 VAL A 12 1.354 10.122 -12.287 1.00 0.00 H ATOM 202 3HG2 VAL A 12 2.213 9.379 -10.916 1.00 0.00 H ATOM 203 N LYS A 13 5.317 12.926 -11.048 1.00 0.00 N ATOM 204 CA LYS A 13 6.143 14.127 -11.019 1.00 0.00 C ATOM 205 C LYS A 13 7.227 14.076 -12.087 1.00 0.00 C ATOM 206 O LYS A 13 7.741 15.110 -12.514 1.00 0.00 O ATOM 207 CB LYS A 13 6.775 14.308 -9.637 1.00 0.00 C ATOM 208 CG LYS A 13 5.789 14.685 -8.539 1.00 0.00 C ATOM 209 CD LYS A 13 6.473 14.757 -7.183 1.00 0.00 C ATOM 210 CE LYS A 13 5.481 15.089 -6.078 1.00 0.00 C ATOM 211 NZ LYS A 13 6.130 15.124 -4.739 1.00 0.00 N ATOM 212 H LYS A 13 5.314 12.311 -10.247 1.00 0.00 H ATOM 213 HA LYS A 13 5.506 14.991 -11.208 1.00 0.00 H ATOM 214 1HB LYS A 13 7.271 13.384 -9.339 1.00 0.00 H ATOM 215 2HB LYS A 13 7.536 15.088 -9.685 1.00 0.00 H ATOM 216 1HG LYS A 13 5.345 15.655 -8.765 1.00 0.00 H ATOM 217 2HG LYS A 13 4.992 13.942 -8.496 1.00 0.00 H ATOM 218 1HD LYS A 13 6.945 13.798 -6.961 1.00 0.00 H ATOM 219 2HD LYS A 13 7.246 15.525 -7.206 1.00 0.00 H ATOM 220 1HE LYS A 13 5.029 16.060 -6.275 1.00 0.00 H ATOM 221 2HE LYS A 13 4.689 14.340 -6.064 1.00 0.00 H ATOM 222 1HZ LYS A 13 5.440 15.346 -4.036 1.00 0.00 H ATOM 223 2HZ LYS A 13 6.537 14.221 -4.538 1.00 0.00 H ATOM 224 3HZ LYS A 13 6.854 15.828 -4.734 1.00 0.00 H ATOM 225 N ASN A 14 7.572 12.866 -12.516 1.00 0.00 N ATOM 226 CA ASN A 14 8.594 12.678 -13.539 1.00 0.00 C ATOM 227 C ASN A 14 7.977 12.620 -14.930 1.00 0.00 C ATOM 228 O ASN A 14 8.646 12.270 -15.903 1.00 0.00 O ATOM 229 CB ASN A 14 9.403 11.424 -13.261 1.00 0.00 C ATOM 230 CG ASN A 14 10.280 11.560 -12.047 1.00 0.00 C ATOM 231 OD1 ASN A 14 10.805 12.643 -11.764 1.00 0.00 O ATOM 232 ND2 ASN A 14 10.449 10.482 -11.325 1.00 0.00 N ATOM 233 H ASN A 14 7.113 12.056 -12.124 1.00 0.00 H ATOM 234 HA ASN A 14 9.273 13.531 -13.510 1.00 0.00 H ATOM 235 1HB ASN A 14 8.728 10.580 -13.114 1.00 0.00 H ATOM 236 2HB ASN A 14 10.029 11.197 -14.124 1.00 0.00 H ATOM 237 1HD2 ASN A 14 11.023 10.513 -10.506 1.00 0.00 H ATOM 238 2HD2 ASN A 14 10.005 9.627 -11.592 1.00 0.00 H ATOM 239 N GLY A 15 6.697 12.966 -15.020 1.00 0.00 N ATOM 240 CA GLY A 15 6.026 13.092 -16.307 1.00 0.00 C ATOM 241 C GLY A 15 5.547 11.738 -16.815 1.00 0.00 C ATOM 242 O GLY A 15 5.372 11.541 -18.017 1.00 0.00 O ATOM 243 H GLY A 15 6.176 13.145 -14.173 1.00 0.00 H ATOM 244 1HA GLY A 15 5.177 13.769 -16.210 1.00 0.00 H ATOM 245 2HA GLY A 15 6.708 13.535 -17.032 1.00 0.00 H ATOM 246 N VAL A 16 5.336 10.807 -15.891 1.00 0.00 N ATOM 247 CA VAL A 16 4.819 9.488 -16.236 1.00 0.00 C ATOM 248 C VAL A 16 3.306 9.428 -16.066 1.00 0.00 C ATOM 249 O VAL A 16 2.778 9.761 -15.005 1.00 0.00 O ATOM 250 CB VAL A 16 5.475 8.409 -15.355 1.00 0.00 C ATOM 251 CG1 VAL A 16 4.901 7.037 -15.675 1.00 0.00 C ATOM 252 CG2 VAL A 16 6.983 8.422 -15.556 1.00 0.00 C ATOM 253 H VAL A 16 5.539 11.018 -14.924 1.00 0.00 H ATOM 254 HA VAL A 16 5.045 9.292 -17.285 1.00 0.00 H ATOM 255 HB VAL A 16 5.246 8.617 -14.310 1.00 0.00 H ATOM 256 1HG1 VAL A 16 5.376 6.287 -15.043 1.00 0.00 H ATOM 257 2HG1 VAL A 16 3.827 7.040 -15.490 1.00 0.00 H ATOM 258 3HG1 VAL A 16 5.088 6.800 -16.722 1.00 0.00 H ATOM 259 1HG2 VAL A 16 7.441 7.658 -14.929 1.00 0.00 H ATOM 260 2HG2 VAL A 16 7.212 8.220 -16.602 1.00 0.00 H ATOM 261 3HG2 VAL A 16 7.378 9.401 -15.281 1.00 0.00 H ATOM 262 N SER A 17 2.614 9.000 -17.116 1.00 0.00 N ATOM 263 CA SER A 17 1.163 8.867 -17.075 1.00 0.00 C ATOM 264 C SER A 17 0.721 8.012 -15.895 1.00 0.00 C ATOM 265 O SER A 17 1.404 7.061 -15.515 1.00 0.00 O ATOM 266 CB SER A 17 0.658 8.259 -18.369 1.00 0.00 C ATOM 267 OG SER A 17 -0.722 8.024 -18.308 1.00 0.00 O ATOM 268 H SER A 17 3.107 8.760 -17.965 1.00 0.00 H ATOM 269 HA SER A 17 0.728 9.859 -16.953 1.00 0.00 H ATOM 270 1HB SER A 17 0.879 8.931 -19.198 1.00 0.00 H ATOM 271 2HB SER A 17 1.180 7.322 -18.559 1.00 0.00 H ATOM 272 HG SER A 17 -1.109 8.531 -19.027 1.00 0.00 H ATOM 273 N GLU A 18 -0.425 8.357 -15.317 1.00 0.00 N ATOM 274 CA GLU A 18 -0.903 7.695 -14.109 1.00 0.00 C ATOM 275 C GLU A 18 -1.094 6.201 -14.337 1.00 0.00 C ATOM 276 O GLU A 18 -0.719 5.383 -13.498 1.00 0.00 O ATOM 277 CB GLU A 18 -2.220 8.322 -13.644 1.00 0.00 C ATOM 278 CG GLU A 18 -2.088 9.745 -13.120 1.00 0.00 C ATOM 279 CD GLU A 18 -3.409 10.350 -12.733 1.00 0.00 C ATOM 280 OE1 GLU A 18 -4.407 9.684 -12.864 1.00 0.00 O ATOM 281 OE2 GLU A 18 -3.419 11.481 -12.307 1.00 0.00 O ATOM 282 H GLU A 18 -0.979 9.096 -15.725 1.00 0.00 H ATOM 283 HA GLU A 18 -0.163 7.837 -13.321 1.00 0.00 H ATOM 284 1HB GLU A 18 -2.929 8.334 -14.471 1.00 0.00 H ATOM 285 2HB GLU A 18 -2.652 7.712 -12.850 1.00 0.00 H ATOM 286 1HG GLU A 18 -1.434 9.741 -12.248 1.00 0.00 H ATOM 287 2HG GLU A 18 -1.622 10.362 -13.887 1.00 0.00 H ATOM 288 N GLU A 19 -1.678 5.852 -15.478 1.00 0.00 N ATOM 289 CA GLU A 19 -1.934 4.456 -15.812 1.00 0.00 C ATOM 290 C GLU A 19 -0.638 3.719 -16.127 1.00 0.00 C ATOM 291 O GLU A 19 -0.492 2.538 -15.812 1.00 0.00 O ATOM 292 CB GLU A 19 -2.889 4.359 -17.004 1.00 0.00 C ATOM 293 CG GLU A 19 -4.305 4.835 -16.714 1.00 0.00 C ATOM 294 CD GLU A 19 -4.973 4.052 -15.618 1.00 0.00 C ATOM 295 OE1 GLU A 19 -4.905 2.847 -15.649 1.00 0.00 O ATOM 296 OE2 GLU A 19 -5.553 4.661 -14.749 1.00 0.00 O ATOM 297 H GLU A 19 -1.953 6.572 -16.131 1.00 0.00 H ATOM 298 HA GLU A 19 -2.409 3.977 -14.956 1.00 0.00 H ATOM 299 1HB GLU A 19 -2.500 4.951 -17.832 1.00 0.00 H ATOM 300 2HB GLU A 19 -2.947 3.324 -17.340 1.00 0.00 H ATOM 301 1HG GLU A 19 -4.273 5.886 -16.426 1.00 0.00 H ATOM 302 2HG GLU A 19 -4.898 4.755 -17.625 1.00 0.00 H ATOM 303 N GLU A 20 0.301 4.423 -16.750 1.00 0.00 N ATOM 304 CA GLU A 20 1.642 3.892 -16.962 1.00 0.00 C ATOM 305 C GLU A 20 2.342 3.616 -15.637 1.00 0.00 C ATOM 306 O GLU A 20 2.988 2.582 -15.469 1.00 0.00 O ATOM 307 CB GLU A 20 2.476 4.867 -17.797 1.00 0.00 C ATOM 308 CG GLU A 20 3.880 4.376 -18.120 1.00 0.00 C ATOM 309 CD GLU A 20 4.655 5.342 -18.973 1.00 0.00 C ATOM 310 OE1 GLU A 20 4.094 6.333 -19.374 1.00 0.00 O ATOM 311 OE2 GLU A 20 5.810 5.088 -19.223 1.00 0.00 O ATOM 312 H GLU A 20 0.080 5.350 -17.085 1.00 0.00 H ATOM 313 HA GLU A 20 1.560 2.956 -17.516 1.00 0.00 H ATOM 314 1HB GLU A 20 1.966 5.067 -18.739 1.00 0.00 H ATOM 315 2HB GLU A 20 2.567 5.815 -17.266 1.00 0.00 H ATOM 316 1HG GLU A 20 4.422 4.217 -17.188 1.00 0.00 H ATOM 317 2HG GLU A 20 3.810 3.419 -18.635 1.00 0.00 H ATOM 318 N ALA A 21 2.209 4.547 -14.699 1.00 0.00 N ATOM 319 CA ALA A 21 2.784 4.383 -13.369 1.00 0.00 C ATOM 320 C ALA A 21 2.214 3.155 -12.670 1.00 0.00 C ATOM 321 O ALA A 21 2.934 2.427 -11.987 1.00 0.00 O ATOM 322 CB ALA A 21 2.543 5.629 -12.530 1.00 0.00 C ATOM 323 H ALA A 21 1.696 5.391 -14.912 1.00 0.00 H ATOM 324 HA ALA A 21 3.863 4.257 -13.472 1.00 0.00 H ATOM 325 1HB ALA A 21 2.979 5.491 -11.540 1.00 0.00 H ATOM 326 2HB ALA A 21 3.008 6.489 -13.013 1.00 0.00 H ATOM 327 3HB ALA A 21 1.473 5.801 -12.434 1.00 0.00 H ATOM 328 N LYS A 22 0.916 2.931 -12.845 1.00 0.00 N ATOM 329 CA LYS A 22 0.268 1.734 -12.322 1.00 0.00 C ATOM 330 C LYS A 22 0.875 0.472 -12.921 1.00 0.00 C ATOM 331 O LYS A 22 1.109 -0.510 -12.218 1.00 0.00 O ATOM 332 CB LYS A 22 -1.236 1.776 -12.596 1.00 0.00 C ATOM 333 CG LYS A 22 -1.994 2.822 -11.788 1.00 0.00 C ATOM 334 CD LYS A 22 -3.464 2.864 -12.179 1.00 0.00 C ATOM 335 CE LYS A 22 -4.194 3.994 -11.469 1.00 0.00 C ATOM 336 NZ LYS A 22 -5.608 4.110 -11.917 1.00 0.00 N ATOM 337 H LYS A 22 0.364 3.607 -13.354 1.00 0.00 H ATOM 338 HA LYS A 22 0.408 1.710 -11.240 1.00 0.00 H ATOM 339 1HB LYS A 22 -1.408 1.981 -13.653 1.00 0.00 H ATOM 340 2HB LYS A 22 -1.674 0.802 -12.376 1.00 0.00 H ATOM 341 1HG LYS A 22 -1.916 2.588 -10.726 1.00 0.00 H ATOM 342 2HG LYS A 22 -1.553 3.803 -11.960 1.00 0.00 H ATOM 343 1HD LYS A 22 -3.550 3.007 -13.257 1.00 0.00 H ATOM 344 2HD LYS A 22 -3.937 1.917 -11.917 1.00 0.00 H ATOM 345 1HE LYS A 22 -4.179 3.818 -10.394 1.00 0.00 H ATOM 346 2HE LYS A 22 -3.685 4.937 -11.667 1.00 0.00 H ATOM 347 1HZ LYS A 22 -6.057 4.870 -11.424 1.00 0.00 H ATOM 348 2HZ LYS A 22 -5.634 4.293 -12.910 1.00 0.00 H ATOM 349 3HZ LYS A 22 -6.096 3.248 -11.721 1.00 0.00 H ATOM 350 N GLU A 23 1.126 0.505 -14.226 1.00 0.00 N ATOM 351 CA GLU A 23 1.749 -0.619 -14.914 1.00 0.00 C ATOM 352 C GLU A 23 3.166 -0.857 -14.410 1.00 0.00 C ATOM 353 O GLU A 23 3.585 -2.000 -14.221 1.00 0.00 O ATOM 354 CB GLU A 23 1.768 -0.375 -16.425 1.00 0.00 C ATOM 355 CG GLU A 23 2.538 -1.420 -17.220 1.00 0.00 C ATOM 356 CD GLU A 23 1.943 -2.796 -17.110 1.00 0.00 C ATOM 357 OE1 GLU A 23 0.782 -2.896 -16.792 1.00 0.00 O ATOM 358 OE2 GLU A 23 2.650 -3.747 -17.344 1.00 0.00 O ATOM 359 H GLU A 23 0.880 1.330 -14.754 1.00 0.00 H ATOM 360 HA GLU A 23 1.155 -1.514 -14.723 1.00 0.00 H ATOM 361 1HB GLU A 23 0.746 -0.353 -16.803 1.00 0.00 H ATOM 362 2HB GLU A 23 2.214 0.598 -16.630 1.00 0.00 H ATOM 363 1HG GLU A 23 2.552 -1.125 -18.269 1.00 0.00 H ATOM 364 2HG GLU A 23 3.568 -1.445 -16.866 1.00 0.00 H ATOM 365 N ILE A 24 3.902 0.228 -14.194 1.00 0.00 N ATOM 366 CA ILE A 24 5.242 0.144 -13.625 1.00 0.00 C ATOM 367 C ILE A 24 5.218 -0.530 -12.259 1.00 0.00 C ATOM 368 O ILE A 24 6.028 -1.415 -11.979 1.00 0.00 O ATOM 369 CB ILE A 24 5.872 1.543 -13.496 1.00 0.00 C ATOM 370 CG1 ILE A 24 6.184 2.117 -14.881 1.00 0.00 C ATOM 371 CG2 ILE A 24 7.131 1.483 -12.645 1.00 0.00 C ATOM 372 CD1 ILE A 24 6.526 3.589 -14.868 1.00 0.00 C ATOM 373 H ILE A 24 3.524 1.134 -14.431 1.00 0.00 H ATOM 374 HA ILE A 24 5.867 -0.446 -14.296 1.00 0.00 H ATOM 375 HB ILE A 24 5.160 2.221 -13.027 1.00 0.00 H ATOM 376 1HG1 ILE A 24 7.022 1.576 -15.318 1.00 0.00 H ATOM 377 2HG1 ILE A 24 5.325 1.973 -15.537 1.00 0.00 H ATOM 378 1HG2 ILE A 24 7.564 2.480 -12.565 1.00 0.00 H ATOM 379 2HG2 ILE A 24 6.881 1.116 -11.651 1.00 0.00 H ATOM 380 3HG2 ILE A 24 7.852 0.810 -13.109 1.00 0.00 H ATOM 381 1HD1 ILE A 24 6.734 3.923 -15.885 1.00 0.00 H ATOM 382 2HD1 ILE A 24 5.685 4.155 -14.466 1.00 0.00 H ATOM 383 3HD1 ILE A 24 7.405 3.753 -14.246 1.00 0.00 H ATOM 384 N LEU A 25 4.286 -0.108 -11.412 1.00 0.00 N ATOM 385 CA LEU A 25 4.143 -0.684 -10.080 1.00 0.00 C ATOM 386 C LEU A 25 3.861 -2.179 -10.154 1.00 0.00 C ATOM 387 O LEU A 25 4.413 -2.963 -9.382 1.00 0.00 O ATOM 388 CB LEU A 25 3.014 0.020 -9.317 1.00 0.00 C ATOM 389 CG LEU A 25 3.302 1.462 -8.882 1.00 0.00 C ATOM 390 CD1 LEU A 25 2.023 2.100 -8.358 1.00 0.00 C ATOM 391 CD2 LEU A 25 4.391 1.465 -7.820 1.00 0.00 C ATOM 392 H LEU A 25 3.660 0.631 -11.698 1.00 0.00 H ATOM 393 HA LEU A 25 5.076 -0.530 -9.535 1.00 0.00 H ATOM 394 1HB LEU A 25 2.126 0.035 -9.947 1.00 0.00 H ATOM 395 2HB LEU A 25 2.789 -0.558 -8.420 1.00 0.00 H ATOM 396 HG LEU A 25 3.635 2.042 -9.744 1.00 0.00 H ATOM 397 1HD1 LEU A 25 2.228 3.126 -8.049 1.00 0.00 H ATOM 398 2HD1 LEU A 25 1.269 2.103 -9.144 1.00 0.00 H ATOM 399 3HD1 LEU A 25 1.657 1.531 -7.504 1.00 0.00 H ATOM 400 1HD2 LEU A 25 4.596 2.491 -7.511 1.00 0.00 H ATOM 401 2HD2 LEU A 25 4.059 0.887 -6.957 1.00 0.00 H ATOM 402 3HD2 LEU A 25 5.299 1.020 -8.227 1.00 0.00 H ATOM 403 N ARG A 26 2.998 -2.567 -11.086 1.00 0.00 N ATOM 404 CA ARG A 26 2.713 -3.977 -11.326 1.00 0.00 C ATOM 405 C ARG A 26 3.979 -4.740 -11.692 1.00 0.00 C ATOM 406 O ARG A 26 4.198 -5.858 -11.224 1.00 0.00 O ATOM 407 CB ARG A 26 1.690 -4.133 -12.442 1.00 0.00 C ATOM 408 CG ARG A 26 0.258 -3.810 -12.046 1.00 0.00 C ATOM 409 CD ARG A 26 -0.713 -4.276 -13.069 1.00 0.00 C ATOM 410 NE ARG A 26 -0.709 -3.425 -14.248 1.00 0.00 N ATOM 411 CZ ARG A 26 -1.514 -2.359 -14.426 1.00 0.00 C ATOM 412 NH1 ARG A 26 -2.380 -2.027 -13.494 1.00 0.00 N ATOM 413 NH2 ARG A 26 -1.432 -1.647 -15.536 1.00 0.00 N ATOM 414 H ARG A 26 2.527 -1.868 -11.643 1.00 0.00 H ATOM 415 HA ARG A 26 2.296 -4.406 -10.414 1.00 0.00 H ATOM 416 1HB ARG A 26 1.957 -3.483 -13.274 1.00 0.00 H ATOM 417 2HB ARG A 26 1.706 -5.159 -12.809 1.00 0.00 H ATOM 418 1HG ARG A 26 0.021 -4.300 -11.101 1.00 0.00 H ATOM 419 2HG ARG A 26 0.146 -2.731 -11.934 1.00 0.00 H ATOM 420 1HD ARG A 26 -0.457 -5.289 -13.379 1.00 0.00 H ATOM 421 2HD ARG A 26 -1.718 -4.268 -12.647 1.00 0.00 H ATOM 422 HE ARG A 26 -0.056 -3.649 -14.987 1.00 0.00 H ATOM 423 1HH1 ARG A 26 -2.442 -2.571 -12.645 1.00 0.00 H ATOM 424 2HH1 ARG A 26 -2.983 -1.228 -13.627 1.00 0.00 H ATOM 425 1HH2 ARG A 26 -0.767 -1.903 -16.253 1.00 0.00 H ATOM 426 2HH2 ARG A 26 -2.035 -0.849 -15.669 1.00 0.00 H ATOM 427 N GLN A 27 4.810 -4.131 -12.530 1.00 0.00 N ATOM 428 CA GLN A 27 6.068 -4.743 -12.942 1.00 0.00 C ATOM 429 C GLN A 27 7.075 -4.754 -11.800 1.00 0.00 C ATOM 430 O GLN A 27 8.002 -5.564 -11.785 1.00 0.00 O ATOM 431 CB GLN A 27 6.653 -4.004 -14.149 1.00 0.00 C ATOM 432 CG GLN A 27 5.853 -4.170 -15.429 1.00 0.00 C ATOM 433 CD GLN A 27 6.442 -3.386 -16.586 1.00 0.00 C ATOM 434 OE1 GLN A 27 7.620 -3.017 -16.568 1.00 0.00 O ATOM 435 NE2 GLN A 27 5.626 -3.127 -17.601 1.00 0.00 N ATOM 436 H GLN A 27 4.564 -3.220 -12.892 1.00 0.00 H ATOM 437 HA GLN A 27 5.869 -5.772 -13.244 1.00 0.00 H ATOM 438 1HB GLN A 27 6.716 -2.938 -13.927 1.00 0.00 H ATOM 439 2HB GLN A 27 7.666 -4.360 -14.337 1.00 0.00 H ATOM 440 1HG GLN A 27 5.840 -5.225 -15.703 1.00 0.00 H ATOM 441 2HG GLN A 27 4.836 -3.816 -15.259 1.00 0.00 H ATOM 442 1HE2 GLN A 27 5.958 -2.613 -18.393 1.00 0.00 H ATOM 443 2HE2 GLN A 27 4.678 -3.445 -17.575 1.00 0.00 H ATOM 444 N LEU A 28 6.889 -3.850 -10.844 1.00 0.00 N ATOM 445 CA LEU A 28 7.739 -3.798 -9.662 1.00 0.00 C ATOM 446 C LEU A 28 7.300 -4.821 -8.622 1.00 0.00 C ATOM 447 O LEU A 28 7.930 -4.966 -7.574 1.00 0.00 O ATOM 448 CB LEU A 28 7.710 -2.392 -9.049 1.00 0.00 C ATOM 449 CG LEU A 28 8.394 -1.293 -9.872 1.00 0.00 C ATOM 450 CD1 LEU A 28 8.154 0.059 -9.213 1.00 0.00 C ATOM 451 CD2 LEU A 28 9.881 -1.591 -9.982 1.00 0.00 C ATOM 452 H LEU A 28 6.138 -3.181 -10.940 1.00 0.00 H ATOM 453 HA LEU A 28 8.760 -4.041 -9.959 1.00 0.00 H ATOM 454 1HB LEU A 28 6.672 -2.099 -8.902 1.00 0.00 H ATOM 455 2HB LEU A 28 8.197 -2.428 -8.074 1.00 0.00 H ATOM 456 HG LEU A 28 7.955 -1.260 -10.870 1.00 0.00 H ATOM 457 1HD1 LEU A 28 8.639 0.840 -9.799 1.00 0.00 H ATOM 458 2HD1 LEU A 28 7.082 0.255 -9.166 1.00 0.00 H ATOM 459 3HD1 LEU A 28 8.567 0.051 -8.206 1.00 0.00 H ATOM 460 1HD2 LEU A 28 10.367 -0.810 -10.568 1.00 0.00 H ATOM 461 2HD2 LEU A 28 10.321 -1.623 -8.984 1.00 0.00 H ATOM 462 3HD2 LEU A 28 10.024 -2.555 -10.472 1.00 0.00 H ATOM 463 N GLY A 29 6.216 -5.530 -8.918 1.00 0.00 N ATOM 464 CA GLY A 29 5.780 -6.646 -8.088 1.00 0.00 C ATOM 465 C GLY A 29 4.783 -6.189 -7.030 1.00 0.00 C ATOM 466 O GLY A 29 4.650 -6.814 -5.978 1.00 0.00 O ATOM 467 H GLY A 29 5.681 -5.290 -9.740 1.00 0.00 H ATOM 468 1HA GLY A 29 5.324 -7.411 -8.716 1.00 0.00 H ATOM 469 2HA GLY A 29 6.645 -7.100 -7.605 1.00 0.00 H ATOM 470 N PHE A 30 4.085 -5.096 -7.316 1.00 0.00 N ATOM 471 CA PHE A 30 2.993 -4.640 -6.465 1.00 0.00 C ATOM 472 C PHE A 30 1.651 -5.161 -6.963 1.00 0.00 C ATOM 473 O PHE A 30 1.398 -5.200 -8.167 1.00 0.00 O ATOM 474 CB PHE A 30 2.962 -3.111 -6.407 1.00 0.00 C ATOM 475 CG PHE A 30 4.142 -2.508 -5.701 1.00 0.00 C ATOM 476 CD1 PHE A 30 5.135 -1.852 -6.414 1.00 0.00 C ATOM 477 CD2 PHE A 30 4.263 -2.594 -4.322 1.00 0.00 C ATOM 478 CE1 PHE A 30 6.221 -1.296 -5.765 1.00 0.00 C ATOM 479 CE2 PHE A 30 5.347 -2.038 -3.671 1.00 0.00 C ATOM 480 CZ PHE A 30 6.327 -1.389 -4.394 1.00 0.00 C ATOM 481 H PHE A 30 4.317 -4.566 -8.144 1.00 0.00 H ATOM 482 HA PHE A 30 3.155 -5.025 -5.458 1.00 0.00 H ATOM 483 1HB PHE A 30 2.930 -2.710 -7.419 1.00 0.00 H ATOM 484 2HB PHE A 30 2.057 -2.785 -5.897 1.00 0.00 H ATOM 485 HD1 PHE A 30 5.051 -1.778 -7.499 1.00 0.00 H ATOM 486 HD2 PHE A 30 3.488 -3.107 -3.751 1.00 0.00 H ATOM 487 HE1 PHE A 30 6.994 -0.785 -6.338 1.00 0.00 H ATOM 488 HE2 PHE A 30 5.429 -2.113 -2.586 1.00 0.00 H ATOM 489 HZ PHE A 30 7.183 -0.952 -3.881 1.00 0.00 H ATOM 490 N SER A 31 0.794 -5.562 -6.030 1.00 0.00 N ATOM 491 CA SER A 31 -0.523 -6.084 -6.373 1.00 0.00 C ATOM 492 C SER A 31 -1.454 -4.970 -6.837 1.00 0.00 C ATOM 493 O SER A 31 -1.325 -3.823 -6.409 1.00 0.00 O ATOM 494 CB SER A 31 -1.129 -6.797 -5.180 1.00 0.00 C ATOM 495 OG SER A 31 -1.460 -5.888 -4.166 1.00 0.00 O ATOM 496 H SER A 31 1.062 -5.503 -5.058 1.00 0.00 H ATOM 497 HA SER A 31 -0.410 -6.798 -7.190 1.00 0.00 H ATOM 498 1HB SER A 31 -2.022 -7.337 -5.494 1.00 0.00 H ATOM 499 2HB SER A 31 -0.421 -7.531 -4.798 1.00 0.00 H ATOM 500 HG SER A 31 -1.264 -6.333 -3.338 1.00 0.00 H ATOM 501 N GLU A 32 -2.391 -5.315 -7.713 1.00 0.00 N ATOM 502 CA GLU A 32 -3.342 -4.344 -8.240 1.00 0.00 C ATOM 503 C GLU A 32 -4.149 -3.701 -7.120 1.00 0.00 C ATOM 504 O GLU A 32 -4.439 -2.505 -7.159 1.00 0.00 O ATOM 505 CB GLU A 32 -4.286 -5.012 -9.243 1.00 0.00 C ATOM 506 CG GLU A 32 -5.286 -4.065 -9.891 1.00 0.00 C ATOM 507 CD GLU A 32 -4.632 -3.039 -10.774 1.00 0.00 C ATOM 508 OE1 GLU A 32 -3.516 -3.257 -11.181 1.00 0.00 O ATOM 509 OE2 GLU A 32 -5.249 -2.035 -11.042 1.00 0.00 O ATOM 510 H GLU A 32 -2.445 -6.275 -8.023 1.00 0.00 H ATOM 511 HA GLU A 32 -2.787 -3.565 -8.763 1.00 0.00 H ATOM 512 1HB GLU A 32 -3.702 -5.477 -10.037 1.00 0.00 H ATOM 513 2HB GLU A 32 -4.848 -5.801 -8.744 1.00 0.00 H ATOM 514 1HG GLU A 32 -5.987 -4.648 -10.488 1.00 0.00 H ATOM 515 2HG GLU A 32 -5.850 -3.559 -9.110 1.00 0.00 H ATOM 516 N GLU A 33 -4.509 -4.501 -6.122 1.00 0.00 N ATOM 517 CA GLU A 33 -5.257 -4.003 -4.973 1.00 0.00 C ATOM 518 C GLU A 33 -4.495 -2.895 -4.258 1.00 0.00 C ATOM 519 O GLU A 33 -5.028 -1.808 -4.031 1.00 0.00 O ATOM 520 CB GLU A 33 -5.554 -5.143 -3.996 1.00 0.00 C ATOM 521 CG GLU A 33 -6.357 -4.728 -2.771 1.00 0.00 C ATOM 522 CD GLU A 33 -6.678 -5.883 -1.864 1.00 0.00 C ATOM 523 OE1 GLU A 33 -6.346 -6.993 -2.205 1.00 0.00 O ATOM 524 OE2 GLU A 33 -7.256 -5.655 -0.827 1.00 0.00 O ATOM 525 H GLU A 33 -4.259 -5.478 -6.160 1.00 0.00 H ATOM 526 HA GLU A 33 -6.208 -3.603 -5.325 1.00 0.00 H ATOM 527 1HB GLU A 33 -6.108 -5.928 -4.510 1.00 0.00 H ATOM 528 2HB GLU A 33 -4.616 -5.578 -3.649 1.00 0.00 H ATOM 529 1HG GLU A 33 -5.789 -3.987 -2.210 1.00 0.00 H ATOM 530 2HG GLU A 33 -7.285 -4.262 -3.100 1.00 0.00 H ATOM 531 N GLU A 34 -3.245 -3.175 -3.905 1.00 0.00 N ATOM 532 CA GLU A 34 -2.435 -2.234 -3.142 1.00 0.00 C ATOM 533 C GLU A 34 -2.093 -1.002 -3.971 1.00 0.00 C ATOM 534 O GLU A 34 -1.983 0.104 -3.442 1.00 0.00 O ATOM 535 CB GLU A 34 -1.149 -2.907 -2.657 1.00 0.00 C ATOM 536 CG GLU A 34 -1.354 -3.932 -1.551 1.00 0.00 C ATOM 537 CD GLU A 34 -1.919 -3.331 -0.294 1.00 0.00 C ATOM 538 OE1 GLU A 34 -1.406 -2.330 0.146 1.00 0.00 O ATOM 539 OE2 GLU A 34 -2.865 -3.874 0.227 1.00 0.00 O ATOM 540 H GLU A 34 -2.846 -4.064 -4.173 1.00 0.00 H ATOM 541 HA GLU A 34 -3.003 -1.918 -2.266 1.00 0.00 H ATOM 542 1HB GLU A 34 -0.664 -3.410 -3.494 1.00 0.00 H ATOM 543 2HB GLU A 34 -0.458 -2.149 -2.287 1.00 0.00 H ATOM 544 1HG GLU A 34 -2.035 -4.705 -1.908 1.00 0.00 H ATOM 545 2HG GLU A 34 -0.399 -4.404 -1.325 1.00 0.00 H ATOM 546 N ILE A 35 -1.925 -1.201 -5.274 1.00 0.00 N ATOM 547 CA ILE A 35 -1.676 -0.095 -6.192 1.00 0.00 C ATOM 548 C ILE A 35 -2.839 0.889 -6.196 1.00 0.00 C ATOM 549 O ILE A 35 -2.645 2.094 -6.036 1.00 0.00 O ATOM 550 CB ILE A 35 -1.435 -0.612 -7.622 1.00 0.00 C ATOM 551 CG1 ILE A 35 -0.087 -1.333 -7.708 1.00 0.00 C ATOM 552 CG2 ILE A 35 -1.494 0.535 -8.619 1.00 0.00 C ATOM 553 CD1 ILE A 35 0.100 -2.129 -8.980 1.00 0.00 C ATOM 554 H ILE A 35 -1.971 -2.142 -5.638 1.00 0.00 H ATOM 555 HA ILE A 35 -0.776 0.428 -5.867 1.00 0.00 H ATOM 556 HB ILE A 35 -2.200 -1.344 -7.878 1.00 0.00 H ATOM 557 1HG1 ILE A 35 0.720 -0.604 -7.640 1.00 0.00 H ATOM 558 2HG1 ILE A 35 0.017 -2.014 -6.863 1.00 0.00 H ATOM 559 1HG2 ILE A 35 -1.320 0.152 -9.624 1.00 0.00 H ATOM 560 2HG2 ILE A 35 -2.475 1.005 -8.574 1.00 0.00 H ATOM 561 3HG2 ILE A 35 -0.727 1.270 -8.373 1.00 0.00 H ATOM 562 1HD1 ILE A 35 1.078 -2.611 -8.967 1.00 0.00 H ATOM 563 2HD1 ILE A 35 -0.679 -2.890 -9.050 1.00 0.00 H ATOM 564 3HD1 ILE A 35 0.035 -1.463 -9.839 1.00 0.00 H ATOM 565 N GLN A 36 -4.047 0.368 -6.382 1.00 0.00 N ATOM 566 CA GLN A 36 -5.244 1.201 -6.408 1.00 0.00 C ATOM 567 C GLN A 36 -5.413 1.964 -5.100 1.00 0.00 C ATOM 568 O GLN A 36 -5.744 3.149 -5.100 1.00 0.00 O ATOM 569 CB GLN A 36 -6.485 0.346 -6.678 1.00 0.00 C ATOM 570 CG GLN A 36 -6.576 -0.189 -8.097 1.00 0.00 C ATOM 571 CD GLN A 36 -7.797 -1.063 -8.309 1.00 0.00 C ATOM 572 OE1 GLN A 36 -8.707 -1.095 -7.476 1.00 0.00 O ATOM 573 NE2 GLN A 36 -7.825 -1.778 -9.428 1.00 0.00 N ATOM 574 H GLN A 36 -4.139 -0.629 -6.508 1.00 0.00 H ATOM 575 HA GLN A 36 -5.148 1.920 -7.222 1.00 0.00 H ATOM 576 1HB GLN A 36 -6.497 -0.505 -5.997 1.00 0.00 H ATOM 577 2HB GLN A 36 -7.382 0.934 -6.482 1.00 0.00 H ATOM 578 1HG GLN A 36 -6.633 0.652 -8.788 1.00 0.00 H ATOM 579 2HG GLN A 36 -5.688 -0.785 -8.307 1.00 0.00 H ATOM 580 1HE2 GLN A 36 -8.605 -2.374 -9.623 1.00 0.00 H ATOM 581 2HE2 GLN A 36 -7.066 -1.722 -10.077 1.00 0.00 H ATOM 582 N LYS A 37 -5.184 1.276 -3.986 1.00 0.00 N ATOM 583 CA LYS A 37 -5.218 1.911 -2.674 1.00 0.00 C ATOM 584 C LYS A 37 -4.177 3.018 -2.570 1.00 0.00 C ATOM 585 O LYS A 37 -4.463 4.108 -2.074 1.00 0.00 O ATOM 586 CB LYS A 37 -4.994 0.874 -1.572 1.00 0.00 C ATOM 587 CG LYS A 37 -6.158 -0.086 -1.366 1.00 0.00 C ATOM 588 CD LYS A 37 -5.842 -1.116 -0.292 1.00 0.00 C ATOM 589 CE LYS A 37 -7.005 -2.074 -0.083 1.00 0.00 C ATOM 590 NZ LYS A 37 -6.693 -3.115 0.934 1.00 0.00 N ATOM 591 H LYS A 37 -4.981 0.289 -4.050 1.00 0.00 H ATOM 592 HA LYS A 37 -6.207 2.346 -2.525 1.00 0.00 H ATOM 593 1HB LYS A 37 -4.109 0.282 -1.804 1.00 0.00 H ATOM 594 2HB LYS A 37 -4.809 1.383 -0.626 1.00 0.00 H ATOM 595 1HG LYS A 37 -7.045 0.476 -1.068 1.00 0.00 H ATOM 596 2HG LYS A 37 -6.374 -0.602 -2.300 1.00 0.00 H ATOM 597 1HD LYS A 37 -4.959 -1.687 -0.584 1.00 0.00 H ATOM 598 2HD LYS A 37 -5.629 -0.607 0.649 1.00 0.00 H ATOM 599 1HE LYS A 37 -7.882 -1.516 0.243 1.00 0.00 H ATOM 600 2HE LYS A 37 -7.245 -2.566 -1.025 1.00 0.00 H ATOM 601 1HZ LYS A 37 -7.488 -3.729 1.043 1.00 0.00 H ATOM 602 2HZ LYS A 37 -5.892 -3.651 0.633 1.00 0.00 H ATOM 603 3HZ LYS A 37 -6.488 -2.671 1.818 1.00 0.00 H ATOM 604 N ALA A 38 -2.968 2.733 -3.042 1.00 0.00 N ATOM 605 CA ALA A 38 -1.874 3.695 -2.979 1.00 0.00 C ATOM 606 C ALA A 38 -2.199 4.951 -3.777 1.00 0.00 C ATOM 607 O ALA A 38 -1.934 6.067 -3.331 1.00 0.00 O ATOM 608 CB ALA A 38 -0.585 3.065 -3.486 1.00 0.00 C ATOM 609 H ALA A 38 -2.802 1.826 -3.454 1.00 0.00 H ATOM 610 HA ALA A 38 -1.718 3.974 -1.936 1.00 0.00 H ATOM 611 1HB ALA A 38 0.222 3.796 -3.433 1.00 0.00 H ATOM 612 2HB ALA A 38 -0.334 2.202 -2.869 1.00 0.00 H ATOM 613 3HB ALA A 38 -0.718 2.747 -4.518 1.00 0.00 H ATOM 614 N VAL A 39 -2.776 4.763 -4.959 1.00 0.00 N ATOM 615 CA VAL A 39 -3.123 5.880 -5.829 1.00 0.00 C ATOM 616 C VAL A 39 -4.235 6.726 -5.221 1.00 0.00 C ATOM 617 O VAL A 39 -4.177 7.955 -5.246 1.00 0.00 O ATOM 618 CB VAL A 39 -3.572 5.363 -7.209 1.00 0.00 C ATOM 619 CG1 VAL A 39 -4.141 6.501 -8.044 1.00 0.00 C ATOM 620 CG2 VAL A 39 -2.400 4.705 -7.921 1.00 0.00 C ATOM 621 H VAL A 39 -2.978 3.821 -5.263 1.00 0.00 H ATOM 622 HA VAL A 39 -2.239 6.505 -5.959 1.00 0.00 H ATOM 623 HB VAL A 39 -4.370 4.634 -7.071 1.00 0.00 H ATOM 624 1HG1 VAL A 39 -4.453 6.117 -9.016 1.00 0.00 H ATOM 625 2HG1 VAL A 39 -5.000 6.933 -7.532 1.00 0.00 H ATOM 626 3HG1 VAL A 39 -3.378 7.266 -8.184 1.00 0.00 H ATOM 627 1HG2 VAL A 39 -2.724 4.342 -8.895 1.00 0.00 H ATOM 628 2HG2 VAL A 39 -1.599 5.433 -8.053 1.00 0.00 H ATOM 629 3HG2 VAL A 39 -2.035 3.868 -7.325 1.00 0.00 H ATOM 630 N LYS A 40 -5.247 6.060 -4.675 1.00 0.00 N ATOM 631 CA LYS A 40 -6.353 6.749 -4.021 1.00 0.00 C ATOM 632 C LYS A 40 -5.864 7.586 -2.846 1.00 0.00 C ATOM 633 O LYS A 40 -6.398 8.661 -2.572 1.00 0.00 O ATOM 634 CB LYS A 40 -7.406 5.745 -3.549 1.00 0.00 C ATOM 635 CG LYS A 40 -8.221 5.114 -4.671 1.00 0.00 C ATOM 636 CD LYS A 40 -9.187 4.070 -4.132 1.00 0.00 C ATOM 637 CE LYS A 40 -9.972 3.409 -5.255 1.00 0.00 C ATOM 638 NZ LYS A 40 -10.900 2.363 -4.745 1.00 0.00 N ATOM 639 H LYS A 40 -5.250 5.051 -4.713 1.00 0.00 H ATOM 640 HA LYS A 40 -6.827 7.410 -4.748 1.00 0.00 H ATOM 641 1HB LYS A 40 -6.920 4.941 -2.996 1.00 0.00 H ATOM 642 2HB LYS A 40 -8.100 6.238 -2.868 1.00 0.00 H ATOM 643 1HG LYS A 40 -8.788 5.889 -5.189 1.00 0.00 H ATOM 644 2HG LYS A 40 -7.550 4.641 -5.386 1.00 0.00 H ATOM 645 1HD LYS A 40 -8.631 3.305 -3.589 1.00 0.00 H ATOM 646 2HD LYS A 40 -9.886 4.543 -3.442 1.00 0.00 H ATOM 647 1HE LYS A 40 -10.552 4.163 -5.786 1.00 0.00 H ATOM 648 2HE LYS A 40 -9.281 2.950 -5.961 1.00 0.00 H ATOM 649 1HZ LYS A 40 -11.400 1.950 -5.519 1.00 0.00 H ATOM 650 2HZ LYS A 40 -10.371 1.648 -4.266 1.00 0.00 H ATOM 651 3HZ LYS A 40 -11.559 2.780 -4.103 1.00 0.00 H ATOM 652 N LYS A 41 -4.845 7.088 -2.155 1.00 0.00 N ATOM 653 CA LYS A 41 -4.234 7.822 -1.053 1.00 0.00 C ATOM 654 C LYS A 41 -3.292 8.903 -1.567 1.00 0.00 C ATOM 655 O LYS A 41 -3.146 9.958 -0.950 1.00 0.00 O ATOM 656 CB LYS A 41 -3.483 6.867 -0.124 1.00 0.00 C ATOM 657 CG LYS A 41 -4.380 5.944 0.689 1.00 0.00 C ATOM 658 CD LYS A 41 -3.562 5.017 1.575 1.00 0.00 C ATOM 659 CE LYS A 41 -4.457 4.097 2.392 1.00 0.00 C ATOM 660 NZ LYS A 41 -3.670 3.182 3.262 1.00 0.00 N ATOM 661 H LYS A 41 -4.484 6.176 -2.399 1.00 0.00 H ATOM 662 HA LYS A 41 -5.026 8.296 -0.472 1.00 0.00 H ATOM 663 1HB LYS A 41 -2.807 6.244 -0.712 1.00 0.00 H ATOM 664 2HB LYS A 41 -2.874 7.442 0.574 1.00 0.00 H ATOM 665 1HG LYS A 41 -5.043 6.541 1.317 1.00 0.00 H ATOM 666 2HG LYS A 41 -4.991 5.344 0.015 1.00 0.00 H ATOM 667 1HD LYS A 41 -2.901 4.410 0.954 1.00 0.00 H ATOM 668 2HD LYS A 41 -2.950 5.609 2.255 1.00 0.00 H ATOM 669 1HE LYS A 41 -5.118 4.695 3.018 1.00 0.00 H ATOM 670 2HE LYS A 41 -5.073 3.498 1.720 1.00 0.00 H ATOM 671 1HZ LYS A 41 -4.299 2.590 3.786 1.00 0.00 H ATOM 672 2HZ LYS A 41 -3.066 2.609 2.690 1.00 0.00 H ATOM 673 3HZ LYS A 41 -3.109 3.726 3.902 1.00 0.00 H ATOM 674 N ALA A 42 -2.653 8.633 -2.701 1.00 0.00 N ATOM 675 CA ALA A 42 -1.750 9.597 -3.319 1.00 0.00 C ATOM 676 C ALA A 42 -2.500 10.843 -3.771 1.00 0.00 C ATOM 677 O ALA A 42 -1.992 11.959 -3.664 1.00 0.00 O ATOM 678 CB ALA A 42 -1.021 8.962 -4.494 1.00 0.00 C ATOM 679 H ALA A 42 -2.796 7.738 -3.145 1.00 0.00 H ATOM 680 HA ALA A 42 -0.999 9.889 -2.583 1.00 0.00 H ATOM 681 1HB ALA A 42 -0.351 9.694 -4.945 1.00 0.00 H ATOM 682 2HB ALA A 42 -0.443 8.107 -4.145 1.00 0.00 H ATOM 683 3HB ALA A 42 -1.747 8.630 -5.235 1.00 0.00 H ATOM 684 N LYS A 43 -3.713 10.646 -4.278 1.00 0.00 N ATOM 685 CA LYS A 43 -4.534 11.753 -4.753 1.00 0.00 C ATOM 686 C LYS A 43 -5.318 12.388 -3.611 1.00 0.00 C ATOM 687 O LYS A 43 -5.672 11.718 -2.641 1.00 0.00 O ATOM 688 OXT LYS A 43 -5.597 13.554 -3.651 1.00 0.00 O ATOM 689 CB LYS A 43 -5.490 11.279 -5.848 1.00 0.00 C ATOM 690 CG LYS A 43 -4.805 10.850 -7.139 1.00 0.00 C ATOM 691 CD LYS A 43 -5.822 10.464 -8.202 1.00 0.00 C ATOM 692 CE LYS A 43 -5.146 10.146 -9.528 1.00 0.00 C ATOM 693 NZ LYS A 43 -6.134 9.859 -10.603 1.00 0.00 N ATOM 694 H LYS A 43 -4.075 9.705 -4.335 1.00 0.00 H ATOM 695 HA LYS A 43 -3.876 12.518 -5.168 1.00 0.00 H ATOM 696 1HB LYS A 43 -6.073 10.434 -5.482 1.00 0.00 H ATOM 697 2HB LYS A 43 -6.190 12.079 -6.091 1.00 0.00 H ATOM 698 1HG LYS A 43 -4.192 11.669 -7.516 1.00 0.00 H ATOM 699 2HG LYS A 43 -4.158 9.996 -6.941 1.00 0.00 H ATOM 700 1HD LYS A 43 -6.382 9.588 -7.870 1.00 0.00 H ATOM 701 2HD LYS A 43 -6.523 11.285 -8.351 1.00 0.00 H ATOM 702 1HE LYS A 43 -4.530 10.990 -9.833 1.00 0.00 H ATOM 703 2HE LYS A 43 -4.498 9.277 -9.406 1.00 0.00 H ATOM 704 1HZ LYS A 43 -5.646 9.653 -11.463 1.00 0.00 H ATOM 705 2HZ LYS A 43 -6.699 9.065 -10.338 1.00 0.00 H ATOM 706 3HZ LYS A 43 -6.728 10.665 -10.738 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE nods_bigger.blueprint.44_try105_pass_20151107052905_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_intra_sol_xover4 lk_ball_wtd fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 rama omega fa_dun p_aa_pp yhh_planarity ref total weights 1 0.55 1 0.005 1 1 1 1.25 1.17 1.17 1.17 1.1 1.25 0.25 0.625 0.7 0.4 0.625 1 NA pose -215.244 20.1848 122.92 0.44297 8.00925 -0.4907 -42.1572 0.01033 -27.1789 -2.15451 -4.6802 -10.7498 0 -7.63222 3.13342 55.6173 -7.78387 0 -3.17992 -110.933 SER:NtermProteinFull_1 -4.06122 0.6681 3.9438 0.00312 0.06116 0.19912 -2.09519 0.00278 0 0 -1.71446 0 0 0 0.07987 0.34838 0 0 0.5 -2.06453 PRO_2 -2.05429 0.41915 1.51364 0.00161 0.02113 -0.0059 -0.21692 0.00755 0 0 0 0 0 -0.05418 0.00043 0.18458 -0.5336 0 -0.97642 -1.69323 GLU_3 -4.73521 0.61561 3.54214 0.0123 0.8518 0.21128 -1.91062 0 0 0 0 -0.46463 0 -0.16285 0.11575 3.05568 -0.13171 0 -2.28137 -1.28182 ALA_4 -5.63172 0.30919 1.24882 0.00085 0 0.03491 -0.43184 0 0 0 -1.02523 0 0 -0.2833 0.10468 0 -0.247 0 1.56209 -4.35855 LYS_5 -6.82554 0.72564 4.96047 0.00965 0.17512 -0.05955 -1.95189 0 0 0 0 -0.35959 0 0.03148 0.0198 1.66012 -0.08614 0 -0.47142 -2.17186 ARG_6 -5.82831 0.29788 6.10714 0.02049 0.54994 0.03427 -3.32123 0 0 0 0 -0.8629 0 0.01548 0.07723 1.65489 -0.12819 0 -0.4 -1.78332 ILE_7 -6.88471 0.7329 1.99896 0.02764 0.0346 -0.13358 -0.48142 0 0 0 0 0 0 0.01307 0.02618 0.10086 -0.12211 0 2.27849 -2.40912 PHE_8 -8.20662 0.76812 1.18151 0.02932 0.1595 -0.02464 -0.62371 0 0 0 0 0 0 0.06988 0.01782 1.55196 -0.15402 0 0.45595 -4.77493 GLU_9 -6.03555 0.35309 5.10692 0.00704 0.2221 0.08751 -2.06521 0 0 0 0 -0.35959 0 -0.16431 0.02114 3.03419 -0.12378 0 -2.28137 -2.19784 GLU_10 -5.54873 0.347 5.10739 0.00679 0.21443 -0.14613 -1.62277 0 0 0 0 -0.39826 0 -0.2794 0.01811 2.74193 -0.14566 0 -2.28137 -1.98667 LEU_11 -7.52949 1.02884 1.33889 0.01321 0.02607 -0.01789 -0.4603 0 0 0 0 0 0 -0.05317 0.05643 0.69007 -0.13915 0 1.68043 -3.36605 VAL_12 -4.65117 0.38129 2.05227 0.0201 0.02521 -0.0036 -0.44113 0 0 0 0 0 0 0.00105 0.05112 0.01216 0.0271 0 2.2876 -0.23799 LYS_13 -3.24347 0.29206 2.33657 0.00655 0.08073 -0.09587 -0.44207 0 0 0 0 0 0 -0.30643 0.00022 0.93547 -0.05512 0 -0.47142 -0.96279 ASN_14 -3.3052 0.37218 2.55969 0.0056 0.22317 -0.18635 -0.21443 0 0 0 0 0 0 -0.32207 0.27794 1.78604 -0.42344 0 -1.09912 -0.32598 GLY_15 -1.42256 0.14825 1.32492 3e-05 0 -0.00465 0.02046 0 0 0 0 0 0 -0.45064 0.04972 0 -0.99489 0 0.8121 -0.51727 VAL_16 -5.28204 0.78779 0.79269 0.016 0.02051 -0.1111 -0.12275 0 0 0 0 0 0 -0.27778 0.01216 0.01822 -0.31701 0 2.2876 -2.17571 SER_17 -3.195 0.32288 2.56953 0.00167 0.03627 -0.03669 -1.02078 0 0 0 0 0 0 -0.20822 0.18034 0.54607 -0.05302 0 0.5 -0.35694 GLU_18 -4.41952 0.31746 3.21341 0.00686 0.21111 0.05952 -2.13773 0 0 0 0 -0.5302 0 -0.23844 0.00329 2.75323 -0.12263 0 -2.28137 -3.16501 GLU_19 -3.80884 0.19134 3.6755 0.00686 0.65418 0.02517 -1.77232 0 0 0 0 -0.64559 0 -0.29587 0.36903 2.89966 -0.21449 0 -2.28137 -1.19674 GLU_20 -5.14979 0.498 3.21136 0.00926 0.27779 -0.14178 -0.6633 0 0 0 0 0 0 -0.25637 0.03755 2.91045 -0.13413 0 -2.28137 -1.68232 ALA_21 -5.79644 0.55749 1.50111 0.00083 0 -0.00357 -0.50097 0 0 0 0 0 0 -0.23559 0.15841 0 -0.24656 0 1.56209 -3.00321 LYS_22 -7.25146 0.4617 4.63549 0.00647 0.0751 -0.16146 -1.74932 0 0 0 0 -0.64559 0 -0.23058 0.02934 1.15562 -0.0598 0 -0.47142 -4.20591 GLU_23 -6.03167 0.45983 5.69671 0.01365 0.97924 0.2416 -2.52979 0 0 0 0 -1.60265 0 -0.28376 0.11352 3.4044 -0.1496 0 -2.28137 -1.96987 ILE_24 -6.53307 0.71618 1.65438 0.02895 0.03492 -0.05457 -0.56264 0 0 0 0 0 0 0.02189 0.00509 0.11768 -0.08263 0 2.27849 -2.37533 LEU_25 -8.99842 1.22556 0.85949 0.01304 0.02764 0 -0.55364 0 0 0 0 0 0 -0.10477 0.12397 0.42832 -0.15156 0 1.68043 -5.44993 ARG_26 -6.92802 0.61644 6.31011 0.01621 0.32904 0.04695 -3.12448 0 0 0 0 -1.32227 0 -0.19186 0.0074 2.2514 -0.11429 0 -0.4 -2.50337 GLN_27 -3.50048 0.31899 2.81107 0.00634 0.17453 0.10494 -0.7055 0 0 0 0 -0.84107 0 -0.31204 0.06456 2.61817 -0.10402 0 -1.60738 -0.9719 LEU_28 -4.35582 0.65717 0.8426 0.01475 0.03936 -0.00023 -0.02389 0 0 0 0 0 0 -0.23132 0.33639 0.21636 -0.07187 0 1.68043 -0.89606 GLY_29 -1.55705 0.19185 1.36792 3e-05 0 0 -0.01365 0 0 0 0 0 0 -0.279 0.32529 0 -0.98932 0 0.8121 -0.14182 PHE_30 -6.5549 0.58942 0.92732 0.027 0.15694 0.02192 0.12588 0 0 0 0 0 0 -0.20314 9e-05 1.96358 -0.12213 0 0.45595 -2.61206 SER_31 -3.16067 0.42592 2.64144 0.0015 0.06129 -0.02738 -0.65692 0 0 0 -0.62564 0 0 -0.36632 0.00031 0.52573 -0.16506 0 0.5 -0.8458 GLU_32 -4.17793 0.24585 3.5933 0.01142 0.84593 0.16385 -2.1431 0 0 0 0 -1.37399 0 -0.27624 0.01352 3.25801 -0.12037 0 -2.28137 -2.24113 GLU_33 -3.90262 0.2627 3.54235 0.00915 0.24927 -0.11932 -0.91366 0 0 0 0 0 0 -0.06903 0.09463 2.57758 -0.1423 0 -2.28137 -0.69261 GLU_34 -5.04546 0.20551 4.94054 0.0065 0.63995 -0.01625 -2.49175 0 0 0 -1.31487 0 0 -0.33373 0.09144 2.95232 -0.19463 0 -2.28137 -2.8418 ILE_35 -7.87628 1.09795 1.60633 0.02895 0.03388 -0.07792 -0.51877 0 0 0 0 0 0 0.05272 1e-05 0.23725 -0.15494 0 2.27849 -3.29233 GLN_36 -4.92581 0.38691 3.67038 0.00629 0.15708 0.0576 -1.15349 0 0 0 0 -0.81329 0 -0.11791 0.1217 2.61662 -0.09522 0 -1.60738 -1.69652 LYS_37 -5.2964 0.27226 4.45087 0.00631 0.0707 -0.16001 -1.42202 0 0 0 0 0 0 -0.20276 0.00954 1.09187 -0.05367 0 -0.47142 -1.70474 ALA_38 -5.09009 0.42373 2.19166 0.00082 0 -0.00122 -0.43948 0 0 0 0 0 0 -0.19306 0.00395 0 -0.22043 0 1.56209 -1.76204 VAL_39 -6.27778 0.64511 1.45414 0.01968 0.02515 -0.11285 -0.3092 0 0 0 0 0 0 -0.04809 0.02581 0.03298 -0.05821 0 2.2876 -2.31566 LYS_40 -3.51208 0.2062 2.6272 0.00635 0.07467 -0.05192 -0.01823 0 0 0 0 0 0 -0.28171 0.0722 0.99675 -0.05917 0 -0.47142 -0.41115 LYS_41 -3.63606 0.27592 2.64672 0.00633 0.07498 -0.08107 0.18009 0 0 0 0 0 0 -0.26349 0.01702 0.93071 -0.10998 0 -0.47142 -0.43026 ALA_42 -3.7909 0.25926 1.76825 0.00083 0 -0.01453 0.28483 0 0 0 0 0 0 -0.26037 0.00043 0 -0.21911 0 1.56209 -0.40922 LYS:CtermProteinFull_43 -3.2256 0.10611 3.39485 0.00664 0.11476 0.07068 -0.94242 0 0 0 0 -0.5302 0 0 0 1.358 0 0 -0.47142 -0.1186 #END_POSE_ENERGIES_TABLE nods_bigger.blueprint.44_try105_pass_20151107052905_0001.pdb AlaCount 4 bb -0.0500933 buried_minus_exposed 3719.57 buried_np 5313.28 buried_over_exposed 3.33388 cavity_volume 0 contact_all 264 contact_core_SASA 264 contact_core_SCN 264 degree 10.1628 exposed_hydrophobics 1593.72 exposed_polars 1274.89 exposed_total 2868.6 fxn_exposed_is_np 0.555572 holes -0.75749 mismatch_probability 0.0808765 pack 0.650267 percent_core_SASA 0.0930016 percent_core_SCN 0.116252 res_count_core_SASA 4 res_count_core_SCN 5 sidechain_neighbors -92.1127 ss_sc 0.77359 unsat_hbond 3
HHH_rd3_0159.pdb
ATOM 1 N THR A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA THR A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C THR A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O THR A 1 1.687 2.221 -0.878 1.00 0.00 O ATOM 5 CB THR A 1 2.012 -0.770 -1.213 1.00 0.00 C ATOM 6 OG1 THR A 1 1.576 -2.134 -1.157 1.00 0.00 O ATOM 7 CG2 THR A 1 3.533 -0.728 -1.222 1.00 0.00 C ATOM 8 1H THR A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 9 2H THR A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 10 3H THR A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 11 HA THR A 1 1.804 -0.495 0.908 1.00 0.00 H ATOM 12 HB THR A 1 1.637 -0.320 -2.132 1.00 0.00 H ATOM 13 HG1 THR A 1 1.022 -2.324 -1.918 1.00 0.00 H ATOM 14 1HG2 THR A 1 3.907 -1.277 -2.086 1.00 0.00 H ATOM 15 2HG2 THR A 1 3.868 0.307 -1.276 1.00 0.00 H ATOM 16 3HG2 THR A 1 3.914 -1.185 -0.310 1.00 0.00 H ATOM 17 N GLU A 2 2.840 1.727 0.990 1.00 0.00 N ATOM 18 CA GLU A 2 3.364 3.077 1.160 1.00 0.00 C ATOM 19 C GLU A 2 4.358 3.425 0.059 1.00 0.00 C ATOM 20 O GLU A 2 4.453 4.577 -0.363 1.00 0.00 O ATOM 21 CB GLU A 2 4.033 3.221 2.529 1.00 0.00 C ATOM 22 CG GLU A 2 3.080 3.099 3.710 1.00 0.00 C ATOM 23 CD GLU A 2 2.030 4.174 3.728 1.00 0.00 C ATOM 24 OE1 GLU A 2 2.383 5.325 3.634 1.00 0.00 O ATOM 25 OE2 GLU A 2 0.872 3.844 3.837 1.00 0.00 O ATOM 26 H GLU A 2 3.117 1.006 1.641 1.00 0.00 H ATOM 27 HA GLU A 2 2.531 3.780 1.114 1.00 0.00 H ATOM 28 1HB GLU A 2 4.803 2.458 2.640 1.00 0.00 H ATOM 29 2HB GLU A 2 4.523 4.192 2.594 1.00 0.00 H ATOM 30 1HG GLU A 2 2.589 2.127 3.668 1.00 0.00 H ATOM 31 2HG GLU A 2 3.656 3.144 4.633 1.00 0.00 H ATOM 32 N LYS A 3 5.097 2.422 -0.402 1.00 0.00 N ATOM 33 CA LYS A 3 6.049 2.609 -1.490 1.00 0.00 C ATOM 34 C LYS A 3 5.353 3.101 -2.752 1.00 0.00 C ATOM 35 O LYS A 3 5.878 3.952 -3.471 1.00 0.00 O ATOM 36 CB LYS A 3 6.798 1.306 -1.777 1.00 0.00 C ATOM 37 CG LYS A 3 7.906 1.433 -2.814 1.00 0.00 C ATOM 38 CD LYS A 3 8.653 0.119 -2.988 1.00 0.00 C ATOM 39 CE LYS A 3 9.724 0.228 -4.063 1.00 0.00 C ATOM 40 NZ LYS A 3 10.496 -1.035 -4.210 1.00 0.00 N ATOM 41 H LYS A 3 4.997 1.506 0.012 1.00 0.00 H ATOM 42 HA LYS A 3 6.784 3.354 -1.183 1.00 0.00 H ATOM 43 1HB LYS A 3 7.244 0.932 -0.855 1.00 0.00 H ATOM 44 2HB LYS A 3 6.094 0.552 -2.130 1.00 0.00 H ATOM 45 1HG LYS A 3 7.476 1.726 -3.773 1.00 0.00 H ATOM 46 2HG LYS A 3 8.610 2.203 -2.502 1.00 0.00 H ATOM 47 1HD LYS A 3 9.124 -0.160 -2.045 1.00 0.00 H ATOM 48 2HD LYS A 3 7.950 -0.665 -3.268 1.00 0.00 H ATOM 49 1HE LYS A 3 9.258 0.468 -5.018 1.00 0.00 H ATOM 50 2HE LYS A 3 10.414 1.033 -3.809 1.00 0.00 H ATOM 51 1HZ LYS A 3 11.195 -0.922 -4.931 1.00 0.00 H ATOM 52 2HZ LYS A 3 10.949 -1.258 -3.335 1.00 0.00 H ATOM 53 3HZ LYS A 3 9.869 -1.786 -4.465 1.00 0.00 H ATOM 54 N GLU A 4 4.168 2.561 -3.017 1.00 0.00 N ATOM 55 CA GLU A 4 3.361 3.002 -4.149 1.00 0.00 C ATOM 56 C GLU A 4 2.933 4.455 -3.988 1.00 0.00 C ATOM 57 O GLU A 4 2.885 5.209 -4.960 1.00 0.00 O ATOM 58 CB GLU A 4 2.126 2.111 -4.302 1.00 0.00 C ATOM 59 CG GLU A 4 2.429 0.689 -4.753 1.00 0.00 C ATOM 60 CD GLU A 4 1.200 -0.172 -4.837 1.00 0.00 C ATOM 61 OE1 GLU A 4 0.209 0.180 -4.243 1.00 0.00 O ATOM 62 OE2 GLU A 4 1.252 -1.184 -5.496 1.00 0.00 O ATOM 63 H GLU A 4 3.817 1.827 -2.419 1.00 0.00 H ATOM 64 HA GLU A 4 3.959 2.912 -5.056 1.00 0.00 H ATOM 65 1HB GLU A 4 1.597 2.055 -3.351 1.00 0.00 H ATOM 66 2HB GLU A 4 1.446 2.555 -5.030 1.00 0.00 H ATOM 67 1HG GLU A 4 2.903 0.723 -5.734 1.00 0.00 H ATOM 68 2HG GLU A 4 3.134 0.241 -4.055 1.00 0.00 H ATOM 69 N LYS A 5 2.624 4.843 -2.755 1.00 0.00 N ATOM 70 CA LYS A 5 2.265 6.223 -2.453 1.00 0.00 C ATOM 71 C LYS A 5 3.424 7.169 -2.739 1.00 0.00 C ATOM 72 O LYS A 5 3.219 8.304 -3.170 1.00 0.00 O ATOM 73 CB LYS A 5 1.825 6.356 -0.994 1.00 0.00 C ATOM 74 CG LYS A 5 0.503 5.673 -0.671 1.00 0.00 C ATOM 75 CD LYS A 5 0.155 5.813 0.803 1.00 0.00 C ATOM 76 CE LYS A 5 -1.122 5.060 1.145 1.00 0.00 C ATOM 77 NZ LYS A 5 -1.422 5.105 2.602 1.00 0.00 N ATOM 78 H LYS A 5 2.638 4.163 -2.008 1.00 0.00 H ATOM 79 HA LYS A 5 1.419 6.506 -3.082 1.00 0.00 H ATOM 80 1HB LYS A 5 2.590 5.929 -0.344 1.00 0.00 H ATOM 81 2HB LYS A 5 1.729 7.411 -0.738 1.00 0.00 H ATOM 82 1HG LYS A 5 -0.293 6.120 -1.267 1.00 0.00 H ATOM 83 2HG LYS A 5 0.569 4.615 -0.921 1.00 0.00 H ATOM 84 1HD LYS A 5 0.972 5.419 1.409 1.00 0.00 H ATOM 85 2HD LYS A 5 0.020 6.866 1.047 1.00 0.00 H ATOM 86 1HE LYS A 5 -1.958 5.496 0.601 1.00 0.00 H ATOM 87 2HE LYS A 5 -1.023 4.018 0.840 1.00 0.00 H ATOM 88 1HZ LYS A 5 -2.274 4.595 2.787 1.00 0.00 H ATOM 89 2HZ LYS A 5 -0.661 4.685 3.117 1.00 0.00 H ATOM 90 3HZ LYS A 5 -1.535 6.065 2.893 1.00 0.00 H ATOM 91 N GLU A 6 4.641 6.695 -2.497 1.00 0.00 N ATOM 92 CA GLU A 6 5.836 7.500 -2.725 1.00 0.00 C ATOM 93 C GLU A 6 6.097 7.688 -4.214 1.00 0.00 C ATOM 94 O GLU A 6 6.603 8.727 -4.639 1.00 0.00 O ATOM 95 CB GLU A 6 7.052 6.848 -2.063 1.00 0.00 C ATOM 96 CG GLU A 6 7.029 6.876 -0.541 1.00 0.00 C ATOM 97 CD GLU A 6 6.987 8.271 0.018 1.00 0.00 C ATOM 98 OE1 GLU A 6 7.742 9.096 -0.437 1.00 0.00 O ATOM 99 OE2 GLU A 6 6.198 8.512 0.901 1.00 0.00 O ATOM 100 H GLU A 6 4.742 5.753 -2.147 1.00 0.00 H ATOM 101 HA GLU A 6 5.685 8.479 -2.270 1.00 0.00 H ATOM 102 1HB GLU A 6 7.123 5.807 -2.377 1.00 0.00 H ATOM 103 2HB GLU A 6 7.960 7.353 -2.393 1.00 0.00 H ATOM 104 1HG GLU A 6 6.153 6.331 -0.191 1.00 0.00 H ATOM 105 2HG GLU A 6 7.914 6.366 -0.165 1.00 0.00 H ATOM 106 N VAL A 7 5.749 6.677 -5.003 1.00 0.00 N ATOM 107 CA VAL A 7 5.767 6.799 -6.456 1.00 0.00 C ATOM 108 C VAL A 7 4.772 7.848 -6.934 1.00 0.00 C ATOM 109 O VAL A 7 5.098 8.694 -7.766 1.00 0.00 O ATOM 110 CB VAL A 7 5.433 5.444 -7.110 1.00 0.00 C ATOM 111 CG1 VAL A 7 5.241 5.610 -8.610 1.00 0.00 C ATOM 112 CG2 VAL A 7 6.537 4.441 -6.814 1.00 0.00 C ATOM 113 H VAL A 7 5.465 5.803 -4.586 1.00 0.00 H ATOM 114 HA VAL A 7 6.768 7.100 -6.766 1.00 0.00 H ATOM 115 HB VAL A 7 4.490 5.078 -6.704 1.00 0.00 H ATOM 116 1HG1 VAL A 7 5.006 4.643 -9.055 1.00 0.00 H ATOM 117 2HG1 VAL A 7 4.423 6.304 -8.798 1.00 0.00 H ATOM 118 3HG1 VAL A 7 6.158 5.999 -9.053 1.00 0.00 H ATOM 119 1HG2 VAL A 7 6.294 3.486 -7.279 1.00 0.00 H ATOM 120 2HG2 VAL A 7 7.481 4.810 -7.215 1.00 0.00 H ATOM 121 3HG2 VAL A 7 6.629 4.307 -5.736 1.00 0.00 H ATOM 122 N LYS A 8 3.556 7.789 -6.401 1.00 0.00 N ATOM 123 CA LYS A 8 2.532 8.778 -6.716 1.00 0.00 C ATOM 124 C LYS A 8 2.920 10.157 -6.198 1.00 0.00 C ATOM 125 O LYS A 8 2.636 11.172 -6.834 1.00 0.00 O ATOM 126 CB LYS A 8 1.182 8.357 -6.133 1.00 0.00 C ATOM 127 CG LYS A 8 0.565 7.133 -6.796 1.00 0.00 C ATOM 128 CD LYS A 8 -0.738 6.736 -6.117 1.00 0.00 C ATOM 129 CE LYS A 8 -1.328 5.480 -6.742 1.00 0.00 C ATOM 130 NZ LYS A 8 -2.552 5.026 -6.029 1.00 0.00 N ATOM 131 H LYS A 8 3.335 7.040 -5.761 1.00 0.00 H ATOM 132 HA LYS A 8 2.423 8.830 -7.800 1.00 0.00 H ATOM 133 1HB LYS A 8 1.297 8.140 -5.070 1.00 0.00 H ATOM 134 2HB LYS A 8 0.474 9.181 -6.224 1.00 0.00 H ATOM 135 1HG LYS A 8 0.366 7.349 -7.846 1.00 0.00 H ATOM 136 2HG LYS A 8 1.262 6.298 -6.740 1.00 0.00 H ATOM 137 1HD LYS A 8 -0.556 6.553 -5.058 1.00 0.00 H ATOM 138 2HD LYS A 8 -1.459 7.549 -6.209 1.00 0.00 H ATOM 139 1HE LYS A 8 -1.581 5.677 -7.783 1.00 0.00 H ATOM 140 2HE LYS A 8 -0.589 4.679 -6.716 1.00 0.00 H ATOM 141 1HZ LYS A 8 -2.912 4.193 -6.473 1.00 0.00 H ATOM 142 2HZ LYS A 8 -2.325 4.823 -5.065 1.00 0.00 H ATOM 143 3HZ LYS A 8 -3.252 5.753 -6.063 1.00 0.00 H ATOM 144 N ARG A 9 3.570 10.187 -5.040 1.00 0.00 N ATOM 145 CA ARG A 9 4.084 11.432 -4.481 1.00 0.00 C ATOM 146 C ARG A 9 4.981 12.154 -5.478 1.00 0.00 C ATOM 147 O ARG A 9 4.703 13.288 -5.869 1.00 0.00 O ATOM 148 CB ARG A 9 4.864 11.163 -3.203 1.00 0.00 C ATOM 149 CG ARG A 9 5.528 12.386 -2.590 1.00 0.00 C ATOM 150 CD ARG A 9 6.377 12.025 -1.426 1.00 0.00 C ATOM 151 NE ARG A 9 7.118 13.168 -0.919 1.00 0.00 N ATOM 152 CZ ARG A 9 8.067 13.103 0.035 1.00 0.00 C ATOM 153 NH1 ARG A 9 8.379 11.945 0.574 1.00 0.00 N ATOM 154 NH2 ARG A 9 8.686 14.203 0.428 1.00 0.00 N ATOM 155 H ARG A 9 3.712 9.325 -4.533 1.00 0.00 H ATOM 156 HA ARG A 9 3.238 12.077 -4.240 1.00 0.00 H ATOM 157 1HB ARG A 9 4.198 10.739 -2.453 1.00 0.00 H ATOM 158 2HB ARG A 9 5.645 10.428 -3.401 1.00 0.00 H ATOM 159 1HG ARG A 9 6.158 12.871 -3.336 1.00 0.00 H ATOM 160 2HG ARG A 9 4.762 13.085 -2.252 1.00 0.00 H ATOM 161 1HD ARG A 9 5.748 11.643 -0.622 1.00 0.00 H ATOM 162 2HD ARG A 9 7.092 11.258 -1.721 1.00 0.00 H ATOM 163 HE ARG A 9 6.906 14.077 -1.310 1.00 0.00 H ATOM 164 1HH1 ARG A 9 7.906 11.105 0.273 1.00 0.00 H ATOM 165 2HH1 ARG A 9 9.090 11.897 1.289 1.00 0.00 H ATOM 166 1HH2 ARG A 9 8.446 15.093 0.013 1.00 0.00 H ATOM 167 2HH2 ARG A 9 9.397 14.154 1.142 1.00 0.00 H ATOM 168 N LEU A 10 6.057 11.491 -5.886 1.00 0.00 N ATOM 169 CA LEU A 10 7.010 12.078 -6.821 1.00 0.00 C ATOM 170 C LEU A 10 6.347 12.398 -8.154 1.00 0.00 C ATOM 171 O LEU A 10 6.674 13.395 -8.797 1.00 0.00 O ATOM 172 CB LEU A 10 8.189 11.123 -7.045 1.00 0.00 C ATOM 173 CG LEU A 10 9.121 10.922 -5.843 1.00 0.00 C ATOM 174 CD1 LEU A 10 10.138 9.835 -6.163 1.00 0.00 C ATOM 175 CD2 LEU A 10 9.812 12.237 -5.511 1.00 0.00 C ATOM 176 H LEU A 10 6.220 10.556 -5.539 1.00 0.00 H ATOM 177 HA LEU A 10 7.393 13.003 -6.389 1.00 0.00 H ATOM 178 1HB LEU A 10 7.797 10.147 -7.326 1.00 0.00 H ATOM 179 2HB LEU A 10 8.791 11.501 -7.871 1.00 0.00 H ATOM 180 HG LEU A 10 8.539 10.591 -4.982 1.00 0.00 H ATOM 181 1HD1 LEU A 10 10.800 9.693 -5.309 1.00 0.00 H ATOM 182 2HD1 LEU A 10 9.617 8.902 -6.377 1.00 0.00 H ATOM 183 3HD1 LEU A 10 10.725 10.131 -7.031 1.00 0.00 H ATOM 184 1HD2 LEU A 10 10.474 12.094 -4.656 1.00 0.00 H ATOM 185 2HD2 LEU A 10 10.396 12.568 -6.371 1.00 0.00 H ATOM 186 3HD2 LEU A 10 9.063 12.991 -5.269 1.00 0.00 H ATOM 187 N ALA A 11 5.415 11.546 -8.565 1.00 0.00 N ATOM 188 CA ALA A 11 4.648 11.778 -9.784 1.00 0.00 C ATOM 189 C ALA A 11 3.934 13.123 -9.738 1.00 0.00 C ATOM 190 O ALA A 11 3.957 13.882 -10.707 1.00 0.00 O ATOM 191 CB ALA A 11 3.645 10.654 -10.001 1.00 0.00 C ATOM 192 H ALA A 11 5.232 10.716 -8.020 1.00 0.00 H ATOM 193 HA ALA A 11 5.335 11.776 -10.631 1.00 0.00 H ATOM 194 1HB ALA A 11 3.081 10.842 -10.914 1.00 0.00 H ATOM 195 2HB ALA A 11 4.175 9.706 -10.090 1.00 0.00 H ATOM 196 3HB ALA A 11 2.961 10.609 -9.155 1.00 0.00 H ATOM 197 N LYS A 12 3.301 13.413 -8.606 1.00 0.00 N ATOM 198 CA LYS A 12 2.601 14.678 -8.422 1.00 0.00 C ATOM 199 C LYS A 12 3.580 15.842 -8.335 1.00 0.00 C ATOM 200 O LYS A 12 3.398 16.869 -8.988 1.00 0.00 O ATOM 201 CB LYS A 12 1.729 14.630 -7.167 1.00 0.00 C ATOM 202 CG LYS A 12 0.921 15.896 -6.914 1.00 0.00 C ATOM 203 CD LYS A 12 0.013 15.740 -5.702 1.00 0.00 C ATOM 204 CE LYS A 12 -0.784 17.008 -5.440 1.00 0.00 C ATOM 205 NZ LYS A 12 -1.677 16.870 -4.257 1.00 0.00 N ATOM 206 H LYS A 12 3.305 12.739 -7.854 1.00 0.00 H ATOM 207 HA LYS A 12 1.944 14.838 -9.278 1.00 0.00 H ATOM 208 1HB LYS A 12 1.030 13.797 -7.241 1.00 0.00 H ATOM 209 2HB LYS A 12 2.357 14.454 -6.293 1.00 0.00 H ATOM 210 1HG LYS A 12 1.599 16.733 -6.743 1.00 0.00 H ATOM 211 2HG LYS A 12 0.310 16.119 -7.788 1.00 0.00 H ATOM 212 1HD LYS A 12 -0.679 14.913 -5.870 1.00 0.00 H ATOM 213 2HD LYS A 12 0.616 15.512 -4.823 1.00 0.00 H ATOM 214 1HE LYS A 12 -0.101 17.839 -5.268 1.00 0.00 H ATOM 215 2HE LYS A 12 -1.393 17.243 -6.313 1.00 0.00 H ATOM 216 1HZ LYS A 12 -2.187 17.730 -4.117 1.00 0.00 H ATOM 217 2HZ LYS A 12 -2.329 16.113 -4.413 1.00 0.00 H ATOM 218 3HZ LYS A 12 -1.122 16.671 -3.437 1.00 0.00 H ATOM 219 N GLU A 13 4.620 15.675 -7.525 1.00 0.00 N ATOM 220 CA GLU A 13 5.580 16.744 -7.279 1.00 0.00 C ATOM 221 C GLU A 13 6.332 17.112 -8.551 1.00 0.00 C ATOM 222 O GLU A 13 6.565 18.289 -8.828 1.00 0.00 O ATOM 223 CB GLU A 13 6.572 16.331 -6.189 1.00 0.00 C ATOM 224 CG GLU A 13 5.967 16.221 -4.797 1.00 0.00 C ATOM 225 CD GLU A 13 6.922 15.646 -3.788 1.00 0.00 C ATOM 226 OE1 GLU A 13 7.976 15.206 -4.179 1.00 0.00 O ATOM 227 OE2 GLU A 13 6.596 15.646 -2.624 1.00 0.00 O ATOM 228 H GLU A 13 4.748 14.783 -7.067 1.00 0.00 H ATOM 229 HA GLU A 13 5.037 17.622 -6.927 1.00 0.00 H ATOM 230 1HB GLU A 13 7.007 15.364 -6.442 1.00 0.00 H ATOM 231 2HB GLU A 13 7.386 17.055 -6.145 1.00 0.00 H ATOM 232 1HG GLU A 13 5.661 17.213 -4.466 1.00 0.00 H ATOM 233 2HG GLU A 13 5.078 15.595 -4.847 1.00 0.00 H ATOM 234 N ARG A 14 6.710 16.099 -9.323 1.00 0.00 N ATOM 235 CA ARG A 14 7.492 16.310 -10.535 1.00 0.00 C ATOM 236 C ARG A 14 6.595 16.672 -11.713 1.00 0.00 C ATOM 237 O ARG A 14 7.010 17.388 -12.624 1.00 0.00 O ATOM 238 CB ARG A 14 8.295 15.064 -10.878 1.00 0.00 C ATOM 239 CG ARG A 14 9.399 14.723 -9.890 1.00 0.00 C ATOM 240 CD ARG A 14 10.047 13.426 -10.216 1.00 0.00 C ATOM 241 NE ARG A 14 11.060 13.065 -9.238 1.00 0.00 N ATOM 242 CZ ARG A 14 11.787 11.931 -9.272 1.00 0.00 C ATOM 243 NH1 ARG A 14 11.602 11.061 -10.239 1.00 0.00 N ATOM 244 NH2 ARG A 14 12.687 11.695 -8.333 1.00 0.00 N ATOM 245 H ARG A 14 6.450 15.158 -9.063 1.00 0.00 H ATOM 246 HA ARG A 14 8.188 17.131 -10.360 1.00 0.00 H ATOM 247 1HB ARG A 14 7.627 14.205 -10.935 1.00 0.00 H ATOM 248 2HB ARG A 14 8.756 15.186 -11.858 1.00 0.00 H ATOM 249 1HG ARG A 14 10.161 15.502 -9.913 1.00 0.00 H ATOM 250 2HG ARG A 14 8.980 14.654 -8.885 1.00 0.00 H ATOM 251 1HD ARG A 14 9.294 12.638 -10.234 1.00 0.00 H ATOM 252 2HD ARG A 14 10.524 13.494 -11.192 1.00 0.00 H ATOM 253 HE ARG A 14 11.231 13.711 -8.478 1.00 0.00 H ATOM 254 1HH1 ARG A 14 10.914 11.242 -10.957 1.00 0.00 H ATOM 255 2HH1 ARG A 14 12.147 10.211 -10.265 1.00 0.00 H ATOM 256 1HH2 ARG A 14 12.830 12.364 -7.590 1.00 0.00 H ATOM 257 2HH2 ARG A 14 13.232 10.845 -8.359 1.00 0.00 H ATOM 258 N GLY A 15 5.364 16.172 -11.688 1.00 0.00 N ATOM 259 CA GLY A 15 4.418 16.414 -12.770 1.00 0.00 C ATOM 260 C GLY A 15 4.602 15.407 -13.898 1.00 0.00 C ATOM 261 O GLY A 15 4.641 15.776 -15.072 1.00 0.00 O ATOM 262 H GLY A 15 5.077 15.611 -10.899 1.00 0.00 H ATOM 263 1HA GLY A 15 3.400 16.351 -12.384 1.00 0.00 H ATOM 264 2HA GLY A 15 4.554 17.424 -13.153 1.00 0.00 H ATOM 265 N LEU A 16 4.715 14.134 -13.535 1.00 0.00 N ATOM 266 CA LEU A 16 5.047 13.090 -14.497 1.00 0.00 C ATOM 267 C LEU A 16 3.811 12.632 -15.262 1.00 0.00 C ATOM 268 O LEU A 16 2.709 12.595 -14.714 1.00 0.00 O ATOM 269 CB LEU A 16 5.686 11.893 -13.782 1.00 0.00 C ATOM 270 CG LEU A 16 7.002 12.182 -13.049 1.00 0.00 C ATOM 271 CD1 LEU A 16 7.518 10.901 -12.407 1.00 0.00 C ATOM 272 CD2 LEU A 16 8.017 12.748 -14.032 1.00 0.00 C ATOM 273 H LEU A 16 4.567 13.883 -12.568 1.00 0.00 H ATOM 274 HA LEU A 16 5.763 13.494 -15.213 1.00 0.00 H ATOM 275 1HB LEU A 16 4.978 11.508 -13.050 1.00 0.00 H ATOM 276 2HB LEU A 16 5.880 11.112 -14.516 1.00 0.00 H ATOM 277 HG LEU A 16 6.825 12.906 -12.253 1.00 0.00 H ATOM 278 1HD1 LEU A 16 8.453 11.106 -11.886 1.00 0.00 H ATOM 279 2HD1 LEU A 16 6.781 10.529 -11.695 1.00 0.00 H ATOM 280 3HD1 LEU A 16 7.689 10.151 -13.178 1.00 0.00 H ATOM 281 1HD2 LEU A 16 8.952 12.954 -13.511 1.00 0.00 H ATOM 282 2HD2 LEU A 16 8.196 12.024 -14.827 1.00 0.00 H ATOM 283 3HD2 LEU A 16 7.630 13.672 -14.462 1.00 0.00 H ATOM 284 N SER A 17 4.001 12.283 -16.530 1.00 0.00 N ATOM 285 CA SER A 17 2.950 11.648 -17.315 1.00 0.00 C ATOM 286 C SER A 17 2.731 10.205 -16.877 1.00 0.00 C ATOM 287 O SER A 17 3.606 9.592 -16.266 1.00 0.00 O ATOM 288 CB SER A 17 3.303 11.689 -18.789 1.00 0.00 C ATOM 289 OG SER A 17 4.358 10.813 -19.078 1.00 0.00 O ATOM 290 H SER A 17 4.897 12.464 -16.960 1.00 0.00 H ATOM 291 HA SER A 17 2.016 12.184 -17.142 1.00 0.00 H ATOM 292 1HB SER A 17 2.429 11.418 -19.380 1.00 0.00 H ATOM 293 2HB SER A 17 3.583 12.704 -19.067 1.00 0.00 H ATOM 294 HG SER A 17 4.959 11.301 -19.646 1.00 0.00 H ATOM 295 N PRO A 18 1.557 9.669 -17.191 1.00 0.00 N ATOM 296 CA PRO A 18 1.223 8.295 -16.837 1.00 0.00 C ATOM 297 C PRO A 18 2.335 7.336 -17.240 1.00 0.00 C ATOM 298 O PRO A 18 2.635 6.381 -16.523 1.00 0.00 O ATOM 299 CB PRO A 18 -0.062 8.036 -17.630 1.00 0.00 C ATOM 300 CG PRO A 18 -0.730 9.368 -17.688 1.00 0.00 C ATOM 301 CD PRO A 18 0.400 10.346 -17.874 1.00 0.00 C ATOM 302 HA PRO A 18 1.088 8.239 -15.756 1.00 0.00 H ATOM 303 1HB PRO A 18 0.184 7.639 -18.626 1.00 0.00 H ATOM 304 2HB PRO A 18 -0.672 7.275 -17.122 1.00 0.00 H ATOM 305 1HG PRO A 18 -1.453 9.394 -18.517 1.00 0.00 H ATOM 306 2HG PRO A 18 -1.298 9.548 -16.764 1.00 0.00 H ATOM 307 1HD PRO A 18 0.593 10.483 -18.949 1.00 0.00 H ATOM 308 2HD PRO A 18 0.138 11.304 -17.401 1.00 0.00 H ATOM 309 N ASP A 19 2.943 7.595 -18.393 1.00 0.00 N ATOM 310 CA ASP A 19 4.039 6.767 -18.884 1.00 0.00 C ATOM 311 C ASP A 19 5.292 6.954 -18.039 1.00 0.00 C ATOM 312 O ASP A 19 5.991 5.990 -17.727 1.00 0.00 O ATOM 313 CB ASP A 19 4.348 7.099 -20.346 1.00 0.00 C ATOM 314 CG ASP A 19 3.275 6.601 -21.306 1.00 0.00 C ATOM 315 OD1 ASP A 19 2.510 5.749 -20.921 1.00 0.00 O ATOM 316 OD2 ASP A 19 3.232 7.077 -22.415 1.00 0.00 O ATOM 317 H ASP A 19 2.639 8.385 -18.943 1.00 0.00 H ATOM 318 HA ASP A 19 3.733 5.721 -18.830 1.00 0.00 H ATOM 319 1HB ASP A 19 4.445 8.178 -20.462 1.00 0.00 H ATOM 320 2HB ASP A 19 5.302 6.652 -20.627 1.00 0.00 H ATOM 321 N GLN A 20 5.571 8.200 -17.671 1.00 0.00 N ATOM 322 CA GLN A 20 6.719 8.511 -16.827 1.00 0.00 C ATOM 323 C GLN A 20 6.537 7.951 -15.422 1.00 0.00 C ATOM 324 O GLN A 20 7.506 7.575 -14.763 1.00 0.00 O ATOM 325 CB GLN A 20 6.943 10.024 -16.763 1.00 0.00 C ATOM 326 CG GLN A 20 7.472 10.630 -18.051 1.00 0.00 C ATOM 327 CD GLN A 20 7.618 12.138 -17.964 1.00 0.00 C ATOM 328 OE1 GLN A 20 6.681 12.845 -17.584 1.00 0.00 O ATOM 329 NE2 GLN A 20 8.797 12.639 -18.315 1.00 0.00 N ATOM 330 H GLN A 20 4.973 8.951 -17.984 1.00 0.00 H ATOM 331 HA GLN A 20 7.607 8.059 -17.271 1.00 0.00 H ATOM 332 1HB GLN A 20 6.003 10.520 -16.518 1.00 0.00 H ATOM 333 2HB GLN A 20 7.651 10.253 -15.967 1.00 0.00 H ATOM 334 1HG GLN A 20 8.452 10.204 -18.265 1.00 0.00 H ATOM 335 2HG GLN A 20 6.780 10.400 -18.860 1.00 0.00 H ATOM 336 1HE2 GLN A 20 8.952 13.627 -18.278 1.00 0.00 H ATOM 337 2HE2 GLN A 20 9.530 12.029 -18.617 1.00 0.00 H ATOM 338 N VAL A 21 5.289 7.899 -14.969 1.00 0.00 N ATOM 339 CA VAL A 21 4.970 7.316 -13.671 1.00 0.00 C ATOM 340 C VAL A 21 5.221 5.814 -13.665 1.00 0.00 C ATOM 341 O VAL A 21 5.757 5.268 -12.700 1.00 0.00 O ATOM 342 CB VAL A 21 3.497 7.589 -13.310 1.00 0.00 C ATOM 343 CG1 VAL A 21 3.111 6.838 -12.045 1.00 0.00 C ATOM 344 CG2 VAL A 21 3.275 9.084 -13.140 1.00 0.00 C ATOM 345 H VAL A 21 4.543 8.272 -15.537 1.00 0.00 H ATOM 346 HA VAL A 21 5.607 7.780 -12.917 1.00 0.00 H ATOM 347 HB VAL A 21 2.861 7.215 -14.113 1.00 0.00 H ATOM 348 1HG1 VAL A 21 2.067 7.042 -11.805 1.00 0.00 H ATOM 349 2HG1 VAL A 21 3.244 5.768 -12.202 1.00 0.00 H ATOM 350 3HG1 VAL A 21 3.743 7.166 -11.220 1.00 0.00 H ATOM 351 1HG2 VAL A 21 2.231 9.270 -12.886 1.00 0.00 H ATOM 352 2HG2 VAL A 21 3.915 9.459 -12.341 1.00 0.00 H ATOM 353 3HG2 VAL A 21 3.518 9.597 -14.071 1.00 0.00 H ATOM 354 N ARG A 22 4.830 5.149 -14.747 1.00 0.00 N ATOM 355 CA ARG A 22 5.104 3.727 -14.914 1.00 0.00 C ATOM 356 C ARG A 22 6.601 3.448 -14.895 1.00 0.00 C ATOM 357 O ARG A 22 7.057 2.495 -14.263 1.00 0.00 O ATOM 358 CB ARG A 22 4.512 3.217 -16.219 1.00 0.00 C ATOM 359 CG ARG A 22 2.993 3.139 -16.246 1.00 0.00 C ATOM 360 CD ARG A 22 2.483 2.824 -17.605 1.00 0.00 C ATOM 361 NE ARG A 22 1.030 2.820 -17.651 1.00 0.00 N ATOM 362 CZ ARG A 22 0.300 2.915 -18.779 1.00 0.00 C ATOM 363 NH1 ARG A 22 0.901 3.021 -19.944 1.00 0.00 N ATOM 364 NH2 ARG A 22 -1.020 2.901 -18.716 1.00 0.00 N ATOM 365 H ARG A 22 4.331 5.643 -15.474 1.00 0.00 H ATOM 366 HA ARG A 22 4.637 3.186 -14.089 1.00 0.00 H ATOM 367 1HB ARG A 22 4.823 3.865 -17.037 1.00 0.00 H ATOM 368 2HB ARG A 22 4.897 2.219 -16.428 1.00 0.00 H ATOM 369 1HG ARG A 22 2.657 2.358 -15.564 1.00 0.00 H ATOM 370 2HG ARG A 22 2.574 4.097 -15.935 1.00 0.00 H ATOM 371 1HD ARG A 22 2.845 3.571 -18.311 1.00 0.00 H ATOM 372 2HD ARG A 22 2.837 1.839 -17.907 1.00 0.00 H ATOM 373 HE ARG A 22 0.532 2.740 -16.774 1.00 0.00 H ATOM 374 1HH1 ARG A 22 1.910 3.031 -19.993 1.00 0.00 H ATOM 375 2HH1 ARG A 22 0.354 3.092 -20.790 1.00 0.00 H ATOM 376 1HH2 ARG A 22 -1.482 2.820 -17.820 1.00 0.00 H ATOM 377 2HH2 ARG A 22 -1.566 2.973 -19.561 1.00 0.00 H ATOM 378 N GLU A 23 7.362 4.284 -15.593 1.00 0.00 N ATOM 379 CA GLU A 23 8.818 4.209 -15.554 1.00 0.00 C ATOM 380 C GLU A 23 9.340 4.380 -14.134 1.00 0.00 C ATOM 381 O GLU A 23 10.140 3.576 -13.655 1.00 0.00 O ATOM 382 CB GLU A 23 9.431 5.274 -16.465 1.00 0.00 C ATOM 383 CG GLU A 23 10.953 5.296 -16.472 1.00 0.00 C ATOM 384 CD GLU A 23 11.520 6.376 -17.351 1.00 0.00 C ATOM 385 OE1 GLU A 23 10.792 6.900 -18.160 1.00 0.00 O ATOM 386 OE2 GLU A 23 12.682 6.677 -17.213 1.00 0.00 O ATOM 387 H GLU A 23 6.921 4.990 -16.165 1.00 0.00 H ATOM 388 HA GLU A 23 9.124 3.230 -15.924 1.00 0.00 H ATOM 389 1HB GLU A 23 9.095 5.115 -17.490 1.00 0.00 H ATOM 390 2HB GLU A 23 9.084 6.261 -16.157 1.00 0.00 H ATOM 391 1HG GLU A 23 11.308 5.449 -15.453 1.00 0.00 H ATOM 392 2HG GLU A 23 11.318 4.328 -16.813 1.00 0.00 H ATOM 393 N LEU A 24 8.883 5.432 -13.463 1.00 0.00 N ATOM 394 CA LEU A 24 9.274 5.690 -12.082 1.00 0.00 C ATOM 395 C LEU A 24 9.055 4.461 -11.209 1.00 0.00 C ATOM 396 O LEU A 24 9.946 4.048 -10.467 1.00 0.00 O ATOM 397 CB LEU A 24 8.479 6.874 -11.518 1.00 0.00 C ATOM 398 CG LEU A 24 8.686 7.164 -10.026 1.00 0.00 C ATOM 399 CD1 LEU A 24 10.146 7.517 -9.775 1.00 0.00 C ATOM 400 CD2 LEU A 24 7.767 8.299 -9.597 1.00 0.00 C ATOM 401 H LEU A 24 8.249 6.070 -13.922 1.00 0.00 H ATOM 402 HA LEU A 24 10.334 5.947 -12.065 1.00 0.00 H ATOM 403 1HB LEU A 24 8.753 7.771 -12.071 1.00 0.00 H ATOM 404 2HB LEU A 24 7.417 6.686 -11.675 1.00 0.00 H ATOM 405 HG LEU A 24 8.455 6.271 -9.446 1.00 0.00 H ATOM 406 1HD1 LEU A 24 10.293 7.724 -8.715 1.00 0.00 H ATOM 407 2HD1 LEU A 24 10.779 6.681 -10.073 1.00 0.00 H ATOM 408 3HD1 LEU A 24 10.412 8.400 -10.356 1.00 0.00 H ATOM 409 1HD2 LEU A 24 7.914 8.504 -8.536 1.00 0.00 H ATOM 410 2HD2 LEU A 24 7.999 9.193 -10.176 1.00 0.00 H ATOM 411 3HD2 LEU A 24 6.730 8.012 -9.771 1.00 0.00 H ATOM 412 N ALA A 25 7.864 3.880 -11.303 1.00 0.00 N ATOM 413 CA ALA A 25 7.518 2.709 -10.506 1.00 0.00 C ATOM 414 C ALA A 25 8.475 1.555 -10.778 1.00 0.00 C ATOM 415 O ALA A 25 8.921 0.875 -9.854 1.00 0.00 O ATOM 416 CB ALA A 25 6.084 2.284 -10.784 1.00 0.00 C ATOM 417 H ALA A 25 7.180 4.259 -11.942 1.00 0.00 H ATOM 418 HA ALA A 25 7.584 2.977 -9.451 1.00 0.00 H ATOM 419 1HB ALA A 25 5.841 1.408 -10.182 1.00 0.00 H ATOM 420 2HB ALA A 25 5.407 3.099 -10.530 1.00 0.00 H ATOM 421 3HB ALA A 25 5.976 2.039 -11.840 1.00 0.00 H ATOM 422 N GLN A 26 8.786 1.339 -12.052 1.00 0.00 N ATOM 423 CA GLN A 26 9.707 0.280 -12.446 1.00 0.00 C ATOM 424 C GLN A 26 11.104 0.530 -11.895 1.00 0.00 C ATOM 425 O GLN A 26 11.805 -0.404 -11.506 1.00 0.00 O ATOM 426 CB GLN A 26 9.761 0.157 -13.971 1.00 0.00 C ATOM 427 CG GLN A 26 8.504 -0.427 -14.594 1.00 0.00 C ATOM 428 CD GLN A 26 8.575 -0.470 -16.109 1.00 0.00 C ATOM 429 OE1 GLN A 26 9.661 -0.529 -16.692 1.00 0.00 O ATOM 430 NE2 GLN A 26 7.415 -0.440 -16.755 1.00 0.00 N ATOM 431 H GLN A 26 8.375 1.925 -12.765 1.00 0.00 H ATOM 432 HA GLN A 26 9.337 -0.666 -12.047 1.00 0.00 H ATOM 433 1HB GLN A 26 9.927 1.141 -14.410 1.00 0.00 H ATOM 434 2HB GLN A 26 10.602 -0.474 -14.256 1.00 0.00 H ATOM 435 1HG GLN A 26 8.370 -1.445 -14.229 1.00 0.00 H ATOM 436 2HG GLN A 26 7.650 0.188 -14.309 1.00 0.00 H ATOM 437 1HE2 GLN A 26 7.399 -0.466 -17.756 1.00 0.00 H ATOM 438 2HE2 GLN A 26 6.558 -0.392 -16.243 1.00 0.00 H ATOM 439 N ARG A 27 11.504 1.797 -11.863 1.00 0.00 N ATOM 440 CA ARG A 27 12.769 2.186 -11.252 1.00 0.00 C ATOM 441 C ARG A 27 12.737 1.986 -9.742 1.00 0.00 C ATOM 442 O ARG A 27 13.741 1.619 -9.133 1.00 0.00 O ATOM 443 CB ARG A 27 13.088 3.641 -11.561 1.00 0.00 C ATOM 444 CG ARG A 27 13.473 3.919 -13.006 1.00 0.00 C ATOM 445 CD ARG A 27 13.801 5.351 -13.222 1.00 0.00 C ATOM 446 NE ARG A 27 14.108 5.634 -14.614 1.00 0.00 N ATOM 447 CZ ARG A 27 15.313 5.443 -15.186 1.00 0.00 C ATOM 448 NH1 ARG A 27 16.311 4.971 -14.473 1.00 0.00 N ATOM 449 NH2 ARG A 27 15.492 5.731 -16.463 1.00 0.00 N ATOM 450 H ARG A 27 10.916 2.509 -12.272 1.00 0.00 H ATOM 451 HA ARG A 27 13.561 1.563 -11.670 1.00 0.00 H ATOM 452 1HB ARG A 27 12.224 4.261 -11.326 1.00 0.00 H ATOM 453 2HB ARG A 27 13.912 3.975 -10.930 1.00 0.00 H ATOM 454 1HG ARG A 27 14.348 3.323 -13.270 1.00 0.00 H ATOM 455 2HG ARG A 27 12.642 3.654 -13.661 1.00 0.00 H ATOM 456 1HD ARG A 27 12.950 5.967 -12.929 1.00 0.00 H ATOM 457 2HD ARG A 27 14.668 5.621 -12.620 1.00 0.00 H ATOM 458 HE ARG A 27 13.365 5.998 -15.195 1.00 0.00 H ATOM 459 1HH1 ARG A 27 16.175 4.751 -13.496 1.00 0.00 H ATOM 460 2HH1 ARG A 27 17.215 4.829 -14.901 1.00 0.00 H ATOM 461 1HH2 ARG A 27 14.724 6.095 -17.012 1.00 0.00 H ATOM 462 2HH2 ARG A 27 16.394 5.589 -16.891 1.00 0.00 H ATOM 463 N ALA A 28 11.576 2.230 -9.143 1.00 0.00 N ATOM 464 CA ALA A 28 11.384 1.992 -7.718 1.00 0.00 C ATOM 465 C ALA A 28 11.486 0.508 -7.388 1.00 0.00 C ATOM 466 O ALA A 28 11.941 0.132 -6.308 1.00 0.00 O ATOM 467 CB ALA A 28 10.041 2.543 -7.264 1.00 0.00 C ATOM 468 H ALA A 28 10.806 2.589 -9.690 1.00 0.00 H ATOM 469 HA ALA A 28 12.168 2.518 -7.171 1.00 0.00 H ATOM 470 1HB ALA A 28 9.912 2.358 -6.198 1.00 0.00 H ATOM 471 2HB ALA A 28 10.005 3.616 -7.453 1.00 0.00 H ATOM 472 3HB ALA A 28 9.241 2.052 -7.816 1.00 0.00 H ATOM 473 N GLY A 29 11.060 -0.332 -8.326 1.00 0.00 N ATOM 474 CA GLY A 29 11.175 -1.777 -8.170 1.00 0.00 C ATOM 475 C GLY A 29 9.812 -2.451 -8.258 1.00 0.00 C ATOM 476 O GLY A 29 9.552 -3.439 -7.571 1.00 0.00 O ATOM 477 H GLY A 29 10.645 0.041 -9.168 1.00 0.00 H ATOM 478 1HA GLY A 29 11.833 -2.175 -8.943 1.00 0.00 H ATOM 479 2HA GLY A 29 11.636 -2.003 -7.209 1.00 0.00 H ATOM 480 N PHE A 30 8.944 -1.910 -9.106 1.00 0.00 N ATOM 481 CA PHE A 30 7.658 -2.537 -9.390 1.00 0.00 C ATOM 482 C PHE A 30 7.658 -3.196 -10.763 1.00 0.00 C ATOM 483 O PHE A 30 8.369 -2.764 -11.670 1.00 0.00 O ATOM 484 CB PHE A 30 6.532 -1.504 -9.314 1.00 0.00 C ATOM 485 CG PHE A 30 6.254 -1.011 -7.922 1.00 0.00 C ATOM 486 CD1 PHE A 30 6.737 0.217 -7.497 1.00 0.00 C ATOM 487 CD2 PHE A 30 5.511 -1.776 -7.036 1.00 0.00 C ATOM 488 CE1 PHE A 30 6.481 0.671 -6.216 1.00 0.00 C ATOM 489 CE2 PHE A 30 5.254 -1.324 -5.756 1.00 0.00 C ATOM 490 CZ PHE A 30 5.740 -0.099 -5.346 1.00 0.00 C ATOM 491 H PHE A 30 9.181 -1.043 -9.567 1.00 0.00 H ATOM 492 HA PHE A 30 7.476 -3.308 -8.640 1.00 0.00 H ATOM 493 1HB PHE A 30 6.784 -0.645 -9.934 1.00 0.00 H ATOM 494 2HB PHE A 30 5.615 -1.936 -9.711 1.00 0.00 H ATOM 495 HD1 PHE A 30 7.322 0.827 -8.185 1.00 0.00 H ATOM 496 HD2 PHE A 30 5.127 -2.744 -7.359 1.00 0.00 H ATOM 497 HE1 PHE A 30 6.867 1.639 -5.895 1.00 0.00 H ATOM 498 HE2 PHE A 30 4.667 -1.934 -5.069 1.00 0.00 H ATOM 499 HZ PHE A 30 5.539 0.258 -4.337 1.00 0.00 H ATOM 500 N SER A 31 6.856 -4.245 -10.909 1.00 0.00 N ATOM 501 CA SER A 31 6.702 -4.919 -12.193 1.00 0.00 C ATOM 502 C SER A 31 5.942 -4.047 -13.185 1.00 0.00 C ATOM 503 O SER A 31 5.217 -3.133 -12.794 1.00 0.00 O ATOM 504 CB SER A 31 5.978 -6.238 -12.008 1.00 0.00 C ATOM 505 OG SER A 31 4.632 -6.030 -11.678 1.00 0.00 O ATOM 506 H SER A 31 6.339 -4.585 -10.111 1.00 0.00 H ATOM 507 HA SER A 31 7.694 -5.116 -12.601 1.00 0.00 H ATOM 508 1HB SER A 31 6.045 -6.822 -12.925 1.00 0.00 H ATOM 509 2HB SER A 31 6.464 -6.811 -11.219 1.00 0.00 H ATOM 510 HG SER A 31 4.430 -6.659 -10.981 1.00 0.00 H ATOM 511 N PRO A 32 6.113 -4.336 -14.471 1.00 0.00 N ATOM 512 CA PRO A 32 5.403 -3.613 -15.519 1.00 0.00 C ATOM 513 C PRO A 32 3.907 -3.564 -15.239 1.00 0.00 C ATOM 514 O PRO A 32 3.246 -2.564 -15.518 1.00 0.00 O ATOM 515 CB PRO A 32 5.716 -4.433 -16.775 1.00 0.00 C ATOM 516 CG PRO A 32 7.062 -5.014 -16.507 1.00 0.00 C ATOM 517 CD PRO A 32 7.032 -5.369 -15.045 1.00 0.00 C ATOM 518 HA PRO A 32 5.786 -2.593 -15.556 1.00 0.00 H ATOM 519 1HB PRO A 32 4.942 -5.200 -16.926 1.00 0.00 H ATOM 520 2HB PRO A 32 5.701 -3.783 -17.662 1.00 0.00 H ATOM 521 1HG PRO A 32 7.234 -5.888 -17.152 1.00 0.00 H ATOM 522 2HG PRO A 32 7.847 -4.282 -16.749 1.00 0.00 H ATOM 523 1HD PRO A 32 6.628 -6.385 -14.922 1.00 0.00 H ATOM 524 2HD PRO A 32 8.048 -5.303 -14.629 1.00 0.00 H ATOM 525 N ASP A 33 3.378 -4.650 -14.685 1.00 0.00 N ATOM 526 CA ASP A 33 1.956 -4.735 -14.371 1.00 0.00 C ATOM 527 C ASP A 33 1.601 -3.851 -13.182 1.00 0.00 C ATOM 528 O ASP A 33 0.598 -3.137 -13.205 1.00 0.00 O ATOM 529 CB ASP A 33 1.558 -6.183 -14.075 1.00 0.00 C ATOM 530 CG ASP A 33 1.584 -7.069 -15.313 1.00 0.00 C ATOM 531 OD1 ASP A 33 1.586 -6.540 -16.399 1.00 0.00 O ATOM 532 OD2 ASP A 33 1.601 -8.267 -15.160 1.00 0.00 O ATOM 533 H ASP A 33 3.976 -5.436 -14.475 1.00 0.00 H ATOM 534 HA ASP A 33 1.390 -4.397 -15.240 1.00 0.00 H ATOM 535 1HB ASP A 33 2.236 -6.602 -13.331 1.00 0.00 H ATOM 536 2HB ASP A 33 0.554 -6.204 -13.651 1.00 0.00 H ATOM 537 N GLN A 34 2.429 -3.902 -12.144 1.00 0.00 N ATOM 538 CA GLN A 34 2.244 -3.052 -10.975 1.00 0.00 C ATOM 539 C GLN A 34 2.413 -1.580 -11.331 1.00 0.00 C ATOM 540 O GLN A 34 1.664 -0.727 -10.857 1.00 0.00 O ATOM 541 CB GLN A 34 3.231 -3.439 -9.870 1.00 0.00 C ATOM 542 CG GLN A 34 2.938 -4.777 -9.214 1.00 0.00 C ATOM 543 CD GLN A 34 4.025 -5.196 -8.243 1.00 0.00 C ATOM 544 OE1 GLN A 34 5.215 -5.161 -8.568 1.00 0.00 O ATOM 545 NE2 GLN A 34 3.623 -5.596 -7.042 1.00 0.00 N ATOM 546 H GLN A 34 3.206 -4.547 -12.166 1.00 0.00 H ATOM 547 HA GLN A 34 1.235 -3.205 -10.591 1.00 0.00 H ATOM 548 1HB GLN A 34 4.240 -3.479 -10.281 1.00 0.00 H ATOM 549 2HB GLN A 34 3.225 -2.675 -9.093 1.00 0.00 H ATOM 550 1HG GLN A 34 1.999 -4.703 -8.665 1.00 0.00 H ATOM 551 2HG GLN A 34 2.859 -5.540 -9.988 1.00 0.00 H ATOM 552 1HE2 GLN A 34 4.295 -5.885 -6.359 1.00 0.00 H ATOM 553 2HE2 GLN A 34 2.648 -5.609 -6.819 1.00 0.00 H ATOM 554 N ALA A 35 3.402 -1.290 -12.170 1.00 0.00 N ATOM 555 CA ALA A 35 3.659 0.077 -12.608 1.00 0.00 C ATOM 556 C ALA A 35 2.451 0.659 -13.331 1.00 0.00 C ATOM 557 O ALA A 35 2.050 1.794 -13.074 1.00 0.00 O ATOM 558 CB ALA A 35 4.886 0.124 -13.506 1.00 0.00 C ATOM 559 H ALA A 35 3.992 -2.035 -12.512 1.00 0.00 H ATOM 560 HA ALA A 35 3.868 0.688 -11.729 1.00 0.00 H ATOM 561 1HB ALA A 35 5.065 1.151 -13.824 1.00 0.00 H ATOM 562 2HB ALA A 35 5.754 -0.241 -12.955 1.00 0.00 H ATOM 563 3HB ALA A 35 4.721 -0.503 -14.380 1.00 0.00 H ATOM 564 N LYS A 36 1.875 -0.125 -14.236 1.00 0.00 N ATOM 565 CA LYS A 36 0.652 0.270 -14.925 1.00 0.00 C ATOM 566 C LYS A 36 -0.449 0.623 -13.933 1.00 0.00 C ATOM 567 O LYS A 36 -1.035 1.703 -14.000 1.00 0.00 O ATOM 568 CB LYS A 36 0.181 -0.844 -15.860 1.00 0.00 C ATOM 569 CG LYS A 36 -1.063 -0.502 -16.669 1.00 0.00 C ATOM 570 CD LYS A 36 -1.440 -1.636 -17.611 1.00 0.00 C ATOM 571 CE LYS A 36 -2.575 -1.232 -18.540 1.00 0.00 C ATOM 572 NZ LYS A 36 -3.841 -0.986 -17.798 1.00 0.00 N ATOM 573 H LYS A 36 2.296 -1.017 -14.453 1.00 0.00 H ATOM 574 HA LYS A 36 0.867 1.148 -15.535 1.00 0.00 H ATOM 575 1HB LYS A 36 0.978 -1.093 -16.561 1.00 0.00 H ATOM 576 2HB LYS A 36 -0.035 -1.741 -15.278 1.00 0.00 H ATOM 577 1HG LYS A 36 -1.897 -0.311 -15.992 1.00 0.00 H ATOM 578 2HG LYS A 36 -0.880 0.399 -17.254 1.00 0.00 H ATOM 579 1HD LYS A 36 -0.572 -1.915 -18.210 1.00 0.00 H ATOM 580 2HD LYS A 36 -1.751 -2.504 -17.029 1.00 0.00 H ATOM 581 1HE LYS A 36 -2.300 -0.324 -19.076 1.00 0.00 H ATOM 582 2HE LYS A 36 -2.745 -2.021 -19.272 1.00 0.00 H ATOM 583 1HZ LYS A 36 -4.567 -0.721 -18.449 1.00 0.00 H ATOM 584 2HZ LYS A 36 -4.115 -1.828 -17.312 1.00 0.00 H ATOM 585 3HZ LYS A 36 -3.701 -0.242 -17.130 1.00 0.00 H ATOM 586 N GLN A 37 -0.726 -0.295 -13.013 1.00 0.00 N ATOM 587 CA GLN A 37 -1.764 -0.087 -12.011 1.00 0.00 C ATOM 588 C GLN A 37 -1.565 1.234 -11.278 1.00 0.00 C ATOM 589 O GLN A 37 -2.505 2.011 -11.113 1.00 0.00 O ATOM 590 CB GLN A 37 -1.781 -1.244 -11.008 1.00 0.00 C ATOM 591 CG GLN A 37 -2.914 -1.176 -9.999 1.00 0.00 C ATOM 592 CD GLN A 37 -4.271 -1.410 -10.635 1.00 0.00 C ATOM 593 OE1 GLN A 37 -4.398 -2.174 -11.596 1.00 0.00 O ATOM 594 NE2 GLN A 37 -5.295 -0.754 -10.101 1.00 0.00 N ATOM 595 H GLN A 37 -0.204 -1.160 -13.008 1.00 0.00 H ATOM 596 HA GLN A 37 -2.731 -0.065 -12.514 1.00 0.00 H ATOM 597 1HB GLN A 37 -1.865 -2.189 -11.545 1.00 0.00 H ATOM 598 2HB GLN A 37 -0.841 -1.262 -10.458 1.00 0.00 H ATOM 599 1HG GLN A 37 -2.756 -1.941 -9.238 1.00 0.00 H ATOM 600 2HG GLN A 37 -2.919 -0.187 -9.539 1.00 0.00 H ATOM 601 1HE2 GLN A 37 -6.215 -0.869 -10.479 1.00 0.00 H ATOM 602 2HE2 GLN A 37 -5.148 -0.145 -9.322 1.00 0.00 H ATOM 603 N ILE A 38 -0.335 1.482 -10.839 1.00 0.00 N ATOM 604 CA ILE A 38 -0.019 2.690 -10.088 1.00 0.00 C ATOM 605 C ILE A 38 -0.366 3.941 -10.885 1.00 0.00 C ATOM 606 O ILE A 38 -1.047 4.838 -10.386 1.00 0.00 O ATOM 607 CB ILE A 38 1.471 2.723 -9.702 1.00 0.00 C ATOM 608 CG1 ILE A 38 1.782 1.626 -8.680 1.00 0.00 C ATOM 609 CG2 ILE A 38 1.848 4.090 -9.152 1.00 0.00 C ATOM 610 CD1 ILE A 38 3.260 1.365 -8.497 1.00 0.00 C ATOM 611 H ILE A 38 0.399 0.816 -11.032 1.00 0.00 H ATOM 612 HA ILE A 38 -0.605 2.688 -9.167 1.00 0.00 H ATOM 613 HB ILE A 38 2.079 2.516 -10.582 1.00 0.00 H ATOM 614 1HG1 ILE A 38 1.361 1.900 -7.714 1.00 0.00 H ATOM 615 2HG1 ILE A 38 1.308 0.695 -8.990 1.00 0.00 H ATOM 616 1HG2 ILE A 38 2.904 4.096 -8.884 1.00 0.00 H ATOM 617 2HG2 ILE A 38 1.662 4.850 -9.909 1.00 0.00 H ATOM 618 3HG2 ILE A 38 1.248 4.304 -8.268 1.00 0.00 H ATOM 619 1HD1 ILE A 38 3.401 0.575 -7.758 1.00 0.00 H ATOM 620 2HD1 ILE A 38 3.696 1.055 -9.447 1.00 0.00 H ATOM 621 3HD1 ILE A 38 3.750 2.274 -8.152 1.00 0.00 H ATOM 622 N ALA A 39 0.105 3.996 -12.125 1.00 0.00 N ATOM 623 CA ALA A 39 -0.125 5.153 -12.982 1.00 0.00 C ATOM 624 C ALA A 39 -1.604 5.312 -13.308 1.00 0.00 C ATOM 625 O ALA A 39 -2.120 6.428 -13.368 1.00 0.00 O ATOM 626 CB ALA A 39 0.689 5.034 -14.263 1.00 0.00 C ATOM 627 H ALA A 39 0.637 3.215 -12.485 1.00 0.00 H ATOM 628 HA ALA A 39 0.216 6.046 -12.457 1.00 0.00 H ATOM 629 1HB ALA A 39 0.506 5.905 -14.892 1.00 0.00 H ATOM 630 2HB ALA A 39 1.749 4.979 -14.017 1.00 0.00 H ATOM 631 3HB ALA A 39 0.394 4.132 -14.798 1.00 0.00 H ATOM 632 N ASP A 40 -2.283 4.189 -13.516 1.00 0.00 N ATOM 633 CA ASP A 40 -3.703 4.202 -13.848 1.00 0.00 C ATOM 634 C ASP A 40 -4.533 4.742 -12.690 1.00 0.00 C ATOM 635 O ASP A 40 -5.563 5.383 -12.899 1.00 0.00 O ATOM 636 CB ASP A 40 -4.181 2.795 -14.215 1.00 0.00 C ATOM 637 CG ASP A 40 -3.623 2.308 -15.545 1.00 0.00 C ATOM 638 OD1 ASP A 40 -3.011 3.090 -16.233 1.00 0.00 O ATOM 639 OD2 ASP A 40 -3.814 1.158 -15.861 1.00 0.00 O ATOM 640 H ASP A 40 -1.803 3.303 -13.444 1.00 0.00 H ATOM 641 HA ASP A 40 -3.850 4.848 -14.714 1.00 0.00 H ATOM 642 1HB ASP A 40 -3.884 2.095 -13.434 1.00 0.00 H ATOM 643 2HB ASP A 40 -5.270 2.784 -14.268 1.00 0.00 H ATOM 644 N GLU A 41 -4.080 4.478 -11.470 1.00 0.00 N ATOM 645 CA GLU A 41 -4.713 5.035 -10.280 1.00 0.00 C ATOM 646 C GLU A 41 -4.330 6.496 -10.086 1.00 0.00 C ATOM 647 O GLU A 41 -5.155 7.315 -9.679 1.00 0.00 O ATOM 648 CB GLU A 41 -4.323 4.226 -9.041 1.00 0.00 C ATOM 649 CG GLU A 41 -4.890 2.814 -9.007 1.00 0.00 C ATOM 650 CD GLU A 41 -4.416 2.021 -7.821 1.00 0.00 C ATOM 651 OE1 GLU A 41 -3.743 2.579 -6.988 1.00 0.00 O ATOM 652 OE2 GLU A 41 -4.728 0.856 -7.748 1.00 0.00 O ATOM 653 H GLU A 41 -3.275 3.876 -11.363 1.00 0.00 H ATOM 654 HA GLU A 41 -5.795 4.970 -10.401 1.00 0.00 H ATOM 655 1HB GLU A 41 -3.237 4.152 -8.981 1.00 0.00 H ATOM 656 2HB GLU A 41 -4.666 4.745 -8.145 1.00 0.00 H ATOM 657 1HG GLU A 41 -5.978 2.871 -8.981 1.00 0.00 H ATOM 658 2HG GLU A 41 -4.603 2.297 -9.922 1.00 0.00 H ATOM 659 N PHE A 42 -3.075 6.818 -10.378 1.00 0.00 N ATOM 660 CA PHE A 42 -2.574 8.178 -10.214 1.00 0.00 C ATOM 661 C PHE A 42 -3.344 9.157 -11.091 1.00 0.00 C ATOM 662 O PHE A 42 -3.877 10.154 -10.604 1.00 0.00 O ATOM 663 CB PHE A 42 -1.084 8.243 -10.554 1.00 0.00 C ATOM 664 CG PHE A 42 -0.522 9.636 -10.549 1.00 0.00 C ATOM 665 CD1 PHE A 42 -0.283 10.299 -9.354 1.00 0.00 C ATOM 666 CD2 PHE A 42 -0.232 10.288 -11.739 1.00 0.00 C ATOM 667 CE1 PHE A 42 0.234 11.581 -9.348 1.00 0.00 C ATOM 668 CE2 PHE A 42 0.286 11.568 -11.736 1.00 0.00 C ATOM 669 CZ PHE A 42 0.519 12.215 -10.539 1.00 0.00 C ATOM 670 H PHE A 42 -2.451 6.103 -10.723 1.00 0.00 H ATOM 671 HA PHE A 42 -2.700 8.469 -9.171 1.00 0.00 H ATOM 672 1HB PHE A 42 -0.521 7.647 -9.838 1.00 0.00 H ATOM 673 2HB PHE A 42 -0.917 7.813 -11.541 1.00 0.00 H ATOM 674 HD1 PHE A 42 -0.507 9.796 -8.413 1.00 0.00 H ATOM 675 HD2 PHE A 42 -0.416 9.776 -12.684 1.00 0.00 H ATOM 676 HE1 PHE A 42 0.417 12.089 -8.402 1.00 0.00 H ATOM 677 HE2 PHE A 42 0.510 12.069 -12.678 1.00 0.00 H ATOM 678 HZ PHE A 42 0.925 13.226 -10.535 1.00 0.00 H ATOM 679 N ALA A 43 -3.398 8.868 -12.387 1.00 0.00 N ATOM 680 CA ALA A 43 -4.000 9.780 -13.352 1.00 0.00 C ATOM 681 C ALA A 43 -5.454 9.417 -13.620 1.00 0.00 C ATOM 682 O ALA A 43 -5.838 8.251 -13.538 1.00 0.00 O ATOM 683 OXT ALA A 43 -6.242 10.274 -13.915 1.00 0.00 O ATOM 684 CB ALA A 43 -3.206 9.778 -14.650 1.00 0.00 C ATOM 685 H ALA A 43 -3.012 7.993 -12.712 1.00 0.00 H ATOM 686 HA ALA A 43 -3.967 10.789 -12.940 1.00 0.00 H ATOM 687 1HB ALA A 43 -3.668 10.464 -15.360 1.00 0.00 H ATOM 688 2HB ALA A 43 -2.182 10.096 -14.451 1.00 0.00 H ATOM 689 3HB ALA A 43 -3.198 8.773 -15.069 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE nods_bigger.blueprint.34_try66_pass_20151109120448_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_intra_sol_xover4 lk_ball_wtd fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 rama omega fa_dun p_aa_pp yhh_planarity ref total weights 1 0.55 1 0.005 1 1 1 1.25 1.17 1.17 1.17 1.1 1.25 0.25 0.625 0.7 0.4 0.625 1 NA pose -208.888 19.8326 120.661 0.36261 5.95413 -0.25007 -33.1468 0.20225 -26.6918 -2.84887 -7.90547 -10.8784 0 -5.5695 4.03817 51.175 -8.36165 0 -6.51385 -108.828 THR:NtermProteinFull_1 -3.2959 0.30679 1.81125 0.00958 0.03811 -0.20061 -0.39692 0 0 0 0 0 0 0 0.11941 0.04301 0 0 0.72083 -0.84446 GLU_2 -3.50189 0.36306 3.17798 0.00636 0.63525 0.08798 -1.55329 0 0 0 0 -0.67755 0 -0.31517 0.03577 2.92532 -0.20634 0 -2.28137 -1.30389 LYS_3 -4.93859 0.5739 2.93741 0.00824 0.11792 -0.03924 -0.66186 0 0 0 -0.27786 0 0 -0.25284 0.08851 1.25178 -0.06315 0 -0.47142 -1.72719 GLU_4 -6.13366 0.69124 3.41164 0.0065 0.21199 -0.21639 -0.64896 0 0 0 0 0 0 -0.31668 0.06261 2.67006 -0.1569 0 -2.28137 -2.69992 LYS_5 -5.16867 0.39847 4.51712 0.00649 0.07671 0.09347 -1.82792 0 0 0 0 -0.67755 0 -0.30787 0.00018 0.99112 -0.05185 0 -0.47142 -2.42172 GLU_6 -4.90264 0.40416 3.97184 0.0069 0.65696 0.11066 -1.43422 0 0 0 0 -0.70254 0 -0.30587 0.48973 2.87703 -0.20979 0 -2.28137 -1.31916 VAL_7 -6.26571 0.58512 0.44627 0.01919 0.02461 -0.00156 -0.39623 0 0 0 0 0 0 0.00901 0.07424 -0.00367 -0.06132 0 2.2876 -3.28245 LYS_8 -6.39511 0.21887 4.11114 0.00648 0.07616 0.13683 -1.53711 0 0 0 0 -0.62992 0 -0.31237 0.12856 0.98639 -0.0442 0 -0.47142 -3.7257 ARG_9 -6.02666 0.53038 5.46244 0.01625 0.19528 0.137 -2.72469 0 0 0 0 -1.27459 0 0.19644 0.00753 2.11146 -0.13959 0 -0.4 -1.90874 LEU_10 -6.27911 0.45253 3.22448 0.01427 0.02989 -0.36599 -0.60949 0 0 0 0 0 0 -0.14093 0.08502 0.20226 -0.14224 0 1.68043 -1.84887 ALA_11 -5.73473 0.87182 1.42068 0.0008 0 -0.00012 -0.5666 0 0 0 0 0 0 -0.11678 0.00921 0 -0.18573 0 1.56209 -2.73935 LYS_12 -3.1763 0.17485 2.35202 0.00851 0.10597 0 -0.05907 0 0 0 0 0 0 -0.1341 0.11712 1.167 -0.04788 0 -0.47142 0.0367 GLU_13 -3.90358 0.10095 3.55944 0.00708 0.22006 -0.09437 -1.12386 0 0 0 0 -0.57205 0 -0.28357 0.05536 2.68995 -0.14936 0 -2.28137 -1.77533 ARG_14 -4.46682 0.38816 2.1392 0.01176 0.1557 -0.30508 -0.04355 0 0 0 0 0 0 -0.17596 0.01574 1.44619 -0.11581 0 -0.4 -1.35046 GLY_15 -1.58838 0.04366 1.4821 6e-05 0 -0.01562 0.19286 0 0 0 0 0 0 0.06437 0.31724 0 -0.95323 0 0.8121 0.35517 LEU_16 -5.93452 0.58203 0.46618 0.01615 0.01938 -0.05449 -0.05657 0 0 0 0 0 0 -0.30899 0.50157 0.21305 -0.16738 0 1.68043 -3.04316 SER_17 -4.1243 1.10182 3.75434 0.00158 0.05579 0.08267 -1.06795 0.00578 0 0 -1.82005 0 0 -0.3652 0.0007 0.27084 -0.28499 0 0.5 -1.88897 PRO_18 -3.54816 0.64857 1.62241 0.00149 0.02023 -0.1031 -0.48814 0.13463 0 0 0 0 0 0.10862 0.00641 0.18462 -0.53159 0 -0.97642 -2.92043 ASP_19 -3.45201 0.30339 3.08115 0.0036 0.23782 -0.08167 -0.63903 0 0 0 0 0 0 -0.16107 0.02207 1.69389 0.035 0 -2.00354 -0.96039 GLN_20 -5.88367 0.49734 3.86746 0.00503 0.15458 0.01091 -0.7504 0 0 0 -1.82005 0 0 -0.26401 0.07574 2.64903 -0.15131 0 -1.60738 -3.21671 VAL_21 -6.90763 1.12227 0.88685 0.01903 0.02519 -0.00345 -0.57401 0 0 0 0 0 0 -0.06323 0.14581 0.01435 -0.03716 0 2.2876 -3.08437 ARG_22 -7.62819 0.83843 5.0555 0.01239 0.15296 -0.161 -1.60399 0 0 0 0 -0.60395 0 -0.19083 0.22987 1.82113 -0.1167 0 -0.4 -2.59436 GLU_23 -4.9731 0.26238 4.37469 0.00975 0.26293 0.30546 -1.7246 0 0 0 0 -0.87213 0 -0.11139 0.01944 2.78036 -0.13864 0 -2.28137 -2.08621 LEU_24 -6.36768 0.6203 1.67297 0.01539 0.06619 -0.0741 -0.60187 0 0 0 0 0 0 0.06676 0.00615 0.4516 -0.08083 0 1.68043 -2.5447 ALA_25 -6.10611 0.72478 1.48444 0.00081 0 0 -0.6628 0 0 0 0 0 0 -0.17128 0.00596 0 -0.21508 0 1.56209 -3.37718 GLN_26 -5.13059 0.38167 3.25587 0.00591 0.16039 -0.13133 -0.16115 0 0 0 0 0 0 -0.21174 0.18896 2.7249 -0.17702 0 -1.60738 -0.70152 ARG_27 -3.68149 0.2475 3.25473 0.01448 0.23 0.35926 -1.3575 0 0 0 0 -0.87213 0 -0.28148 0.10946 1.92951 -0.12894 0 -0.4 -0.5766 ALA_28 -3.1383 0.31115 1.59174 0.00087 0 0.05982 -0.72485 0 0 0 -0.27786 0 0 -0.32009 0.08482 0 -0.19123 0 1.56209 -1.04184 GLY_29 -1.93853 0.11975 1.86593 5e-05 0 -0.02799 0.03303 0 0 0 0 0 0 0.47046 0.26612 0 -1.38135 0 0.8121 0.21958 PHE_30 -7.85124 0.85713 1.31472 0.0267 0.14711 -0.14469 -0.01149 0 0 0 0 0 0 -0.18126 0.08324 1.77398 -0.3162 0 0.45595 -3.84606 SER_31 -4.02997 0.74402 3.72792 0.00152 0.05566 0.09649 -1.06907 0.001 0 0 -1.85482 0 0 -0.36569 0.03764 0.22755 -0.27408 0 0.5 -2.20183 PRO_32 -2.86475 0.42551 1.66804 0.00154 0.02045 -0.12661 -0.3942 0.06084 0 0 0 0 0 0.05083 0.00045 0.09471 -0.5112 0 -0.97642 -2.5508 ASP_33 -2.88769 0.26091 2.42736 0.00349 0.23564 0.00384 -0.26118 0 0 0 0 0 0 -0.10674 0.07338 1.72572 0.05715 0 -2.00354 -0.47165 GLN_34 -5.62045 0.43198 3.90197 0.00527 0.1633 0.03731 -0.71933 0 0 0 -1.85482 0 0 -0.18901 0.00578 2.56823 -0.15272 0 -1.60738 -3.02989 ALA_35 -5.74705 0.62873 1.93117 0.0008 0 0.02207 -0.41232 0 0 0 0 0 0 -0.13212 0.141 0 -0.18534 0 1.56209 -2.19098 LYS_36 -5.73409 0.40674 5.39028 0.01006 0.2011 0.01857 -1.51787 0 0 0 0 -0.5771 0 -0.01919 0.00133 1.68604 -0.06459 0 -0.47142 -0.67013 GLN_37 -4.60292 0.22766 3.96612 0.00984 0.55666 0.01661 -0.92167 0 0 0 0 -0.80394 0 0.0535 0.02201 2.75417 -0.06442 0 -1.60738 -0.39376 ILE_38 -7.30396 0.60399 1.4684 0.02721 0.03393 -0.11908 -0.68099 0 0 0 0 0 0 0.09047 0.01668 0.12822 -0.09365 0 2.27849 -3.5503 ALA_39 -5.14731 0.51657 2.03399 0.00083 0 0.04254 -0.46104 0 0 0 0 0 0 -0.2524 0.00188 0 -0.2102 0 1.56209 -1.91305 ASP_40 -4.41941 0.20702 5.10979 0.00358 0.24791 0.17033 -2.11968 0 0 0 0 -1.18106 0 -0.21953 0.1882 1.72157 -0.00613 0 -2.00354 -2.30094 GLU_41 -4.2265 0.21111 4.53573 0.0068 0.21724 0.26255 -1.51304 0 0 0 0 -1.43386 0 -0.20404 0.00725 2.78909 -0.2224 0 -2.28137 -1.85143 PHE_42 -5.70458 0.36063 1.31084 0.02897 0.14505 -0.03796 0.21393 0 0 0 0 0 0 0.10145 0.19004 1.61453 -0.22327 0 0.45595 -1.54443 ALA:CtermProteinFull_43 -2.1556 0.08527 1.61574 0.00096 0 0 0.49193 0 0 0 0 0 0 0 0 0 0 0 1.56209 1.60039 #END_POSE_ENERGIES_TABLE nods_bigger.blueprint.34_try66_pass_20151109120448_0001.pdb AlaCount 6 bb -0.0662374 buried_minus_exposed 3503.31 buried_np 5083.16 buried_over_exposed 3.21748 cavity_volume 0 contact_all 250 contact_core_SASA 250 contact_core_SCN 250 degree 10.4884 exposed_hydrophobics 1579.84 exposed_polars 1557.35 exposed_total 3137.2 fxn_exposed_is_np 0.503585 holes -1.34349 mismatch_probability 0.0891277 pack 0.726563 percent_core_SASA 0.0697512 percent_core_SCN 0.162753 res_count_core_SASA 3 res_count_core_SCN 7 sidechain_neighbors -96.7823 ss_sc 0.792099 unsat_hbond 4
HHH_rd3_0164.pdb
ATOM 1 N GLU A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA GLU A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C GLU A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O GLU A 1 1.560 2.270 -0.769 1.00 0.00 O ATOM 5 CB GLU A 1 1.991 -0.764 -1.214 1.00 0.00 C ATOM 6 CG GLU A 1 3.495 -1.001 -1.197 1.00 0.00 C ATOM 7 CD GLU A 1 3.975 -1.800 -2.376 1.00 0.00 C ATOM 8 OE1 GLU A 1 3.160 -2.187 -3.179 1.00 0.00 O ATOM 9 OE2 GLU A 1 5.158 -2.023 -2.475 1.00 0.00 O ATOM 10 1H GLU A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 11 2H GLU A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 12 3H GLU A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 13 HA GLU A 1 1.804 -0.492 0.910 1.00 0.00 H ATOM 14 1HB GLU A 1 1.501 -1.736 -1.277 1.00 0.00 H ATOM 15 2HB GLU A 1 1.750 -0.216 -2.124 1.00 0.00 H ATOM 16 1HG GLU A 1 4.004 -0.038 -1.194 1.00 0.00 H ATOM 17 2HG GLU A 1 3.759 -1.523 -0.278 1.00 0.00 H ATOM 18 N PRO A 2 2.984 1.671 0.867 1.00 0.00 N ATOM 19 CA PRO A 2 3.585 2.994 0.982 1.00 0.00 C ATOM 20 C PRO A 2 4.013 3.526 -0.380 1.00 0.00 C ATOM 21 O PRO A 2 3.935 4.726 -0.641 1.00 0.00 O ATOM 22 CB PRO A 2 4.790 2.748 1.895 1.00 0.00 C ATOM 23 CG PRO A 2 4.350 1.638 2.788 1.00 0.00 C ATOM 24 CD PRO A 2 3.552 0.729 1.892 1.00 0.00 C ATOM 25 HA PRO A 2 2.846 3.675 1.406 1.00 0.00 H ATOM 26 1HB PRO A 2 5.672 2.486 1.292 1.00 0.00 H ATOM 27 2HB PRO A 2 5.039 3.666 2.447 1.00 0.00 H ATOM 28 1HG PRO A 2 5.224 1.137 3.230 1.00 0.00 H ATOM 29 2HG PRO A 2 3.757 2.036 3.625 1.00 0.00 H ATOM 30 1HD PRO A 2 4.222 -0.011 1.430 1.00 0.00 H ATOM 31 2HD PRO A 2 2.768 0.230 2.480 1.00 0.00 H ATOM 32 N ARG A 3 4.464 2.625 -1.246 1.00 0.00 N ATOM 33 CA ARG A 3 4.889 2.999 -2.590 1.00 0.00 C ATOM 34 C ARG A 3 3.725 3.555 -3.400 1.00 0.00 C ATOM 35 O ARG A 3 3.903 4.450 -4.226 1.00 0.00 O ATOM 36 CB ARG A 3 5.482 1.801 -3.317 1.00 0.00 C ATOM 37 CG ARG A 3 6.831 1.338 -2.791 1.00 0.00 C ATOM 38 CD ARG A 3 7.408 0.259 -3.634 1.00 0.00 C ATOM 39 NE ARG A 3 8.723 -0.149 -3.167 1.00 0.00 N ATOM 40 CZ ARG A 3 8.952 -1.174 -2.324 1.00 0.00 C ATOM 41 NH1 ARG A 3 7.946 -1.884 -1.864 1.00 0.00 N ATOM 42 NH2 ARG A 3 10.188 -1.466 -1.958 1.00 0.00 N ATOM 43 H ARG A 3 4.515 1.656 -0.966 1.00 0.00 H ATOM 44 HA ARG A 3 5.657 3.768 -2.508 1.00 0.00 H ATOM 45 1HB ARG A 3 4.795 0.958 -3.249 1.00 0.00 H ATOM 46 2HB ARG A 3 5.604 2.040 -4.373 1.00 0.00 H ATOM 47 1HG ARG A 3 7.527 2.177 -2.786 1.00 0.00 H ATOM 48 2HG ARG A 3 6.715 0.956 -1.776 1.00 0.00 H ATOM 49 1HD ARG A 3 6.753 -0.611 -3.608 1.00 0.00 H ATOM 50 2HD ARG A 3 7.504 0.611 -4.660 1.00 0.00 H ATOM 51 HE ARG A 3 9.523 0.374 -3.499 1.00 0.00 H ATOM 52 1HH1 ARG A 3 7.001 -1.661 -2.143 1.00 0.00 H ATOM 53 2HH1 ARG A 3 8.117 -2.652 -1.231 1.00 0.00 H ATOM 54 1HH2 ARG A 3 10.962 -0.920 -2.312 1.00 0.00 H ATOM 55 2HH2 ARG A 3 10.360 -2.234 -1.326 1.00 0.00 H ATOM 56 N GLU A 4 2.533 3.020 -3.158 1.00 0.00 N ATOM 57 CA GLU A 4 1.326 3.510 -3.813 1.00 0.00 C ATOM 58 C GLU A 4 0.957 4.902 -3.319 1.00 0.00 C ATOM 59 O GLU A 4 0.502 5.746 -4.091 1.00 0.00 O ATOM 60 CB GLU A 4 0.161 2.547 -3.574 1.00 0.00 C ATOM 61 CG GLU A 4 0.313 1.194 -4.254 1.00 0.00 C ATOM 62 CD GLU A 4 -0.738 0.206 -3.832 1.00 0.00 C ATOM 63 OE1 GLU A 4 -1.114 0.221 -2.684 1.00 0.00 O ATOM 64 OE2 GLU A 4 -1.166 -0.566 -4.658 1.00 0.00 O ATOM 65 H GLU A 4 2.461 2.254 -2.504 1.00 0.00 H ATOM 66 HA GLU A 4 1.511 3.558 -4.887 1.00 0.00 H ATOM 67 1HB GLU A 4 0.047 2.373 -2.504 1.00 0.00 H ATOM 68 2HB GLU A 4 -0.764 3.000 -3.931 1.00 0.00 H ATOM 69 1HG GLU A 4 0.252 1.333 -5.333 1.00 0.00 H ATOM 70 2HG GLU A 4 1.298 0.791 -4.022 1.00 0.00 H ATOM 71 N GLU A 5 1.155 5.137 -2.026 1.00 0.00 N ATOM 72 CA GLU A 5 0.895 6.445 -1.436 1.00 0.00 C ATOM 73 C GLU A 5 1.792 7.514 -2.048 1.00 0.00 C ATOM 74 O GLU A 5 1.338 8.613 -2.364 1.00 0.00 O ATOM 75 CB GLU A 5 1.103 6.398 0.079 1.00 0.00 C ATOM 76 CG GLU A 5 0.075 5.562 0.829 1.00 0.00 C ATOM 77 CD GLU A 5 0.368 5.455 2.299 1.00 0.00 C ATOM 78 OE1 GLU A 5 1.418 5.888 2.710 1.00 0.00 O ATOM 79 OE2 GLU A 5 -0.460 4.940 3.013 1.00 0.00 O ATOM 80 H GLU A 5 1.495 4.391 -1.437 1.00 0.00 H ATOM 81 HA GLU A 5 -0.145 6.710 -1.628 1.00 0.00 H ATOM 82 1HB GLU A 5 2.090 5.990 0.299 1.00 0.00 H ATOM 83 2HB GLU A 5 1.069 7.410 0.483 1.00 0.00 H ATOM 84 1HG GLU A 5 -0.909 6.012 0.698 1.00 0.00 H ATOM 85 2HG GLU A 5 0.048 4.563 0.395 1.00 0.00 H ATOM 86 N GLU A 6 3.069 7.184 -2.213 1.00 0.00 N ATOM 87 CA GLU A 6 4.021 8.095 -2.837 1.00 0.00 C ATOM 88 C GLU A 6 3.712 8.286 -4.316 1.00 0.00 C ATOM 89 O GLU A 6 3.877 9.378 -4.859 1.00 0.00 O ATOM 90 CB GLU A 6 5.449 7.572 -2.668 1.00 0.00 C ATOM 91 CG GLU A 6 5.959 7.588 -1.234 1.00 0.00 C ATOM 92 CD GLU A 6 6.039 8.974 -0.657 1.00 0.00 C ATOM 93 OE1 GLU A 6 6.560 9.842 -1.316 1.00 0.00 O ATOM 94 OE2 GLU A 6 5.580 9.165 0.445 1.00 0.00 O ATOM 95 H GLU A 6 3.388 6.279 -1.897 1.00 0.00 H ATOM 96 HA GLU A 6 3.953 9.062 -2.338 1.00 0.00 H ATOM 97 1HB GLU A 6 5.506 6.546 -3.032 1.00 0.00 H ATOM 98 2HB GLU A 6 6.130 8.172 -3.271 1.00 0.00 H ATOM 99 1HG GLU A 6 5.292 6.987 -0.615 1.00 0.00 H ATOM 100 2HG GLU A 6 6.946 7.129 -1.205 1.00 0.00 H ATOM 101 N ALA A 7 3.263 7.216 -4.964 1.00 0.00 N ATOM 102 CA ALA A 7 2.819 7.292 -6.351 1.00 0.00 C ATOM 103 C ALA A 7 1.686 8.298 -6.513 1.00 0.00 C ATOM 104 O ALA A 7 1.690 9.107 -7.440 1.00 0.00 O ATOM 105 CB ALA A 7 2.381 5.919 -6.842 1.00 0.00 C ATOM 106 H ALA A 7 3.228 6.329 -4.484 1.00 0.00 H ATOM 107 HA ALA A 7 3.660 7.610 -6.967 1.00 0.00 H ATOM 108 1HB ALA A 7 2.052 5.992 -7.879 1.00 0.00 H ATOM 109 2HB ALA A 7 3.219 5.225 -6.775 1.00 0.00 H ATOM 110 3HB ALA A 7 1.560 5.558 -6.226 1.00 0.00 H ATOM 111 N GLU A 8 0.717 8.242 -5.606 1.00 0.00 N ATOM 112 CA GLU A 8 -0.433 9.136 -5.657 1.00 0.00 C ATOM 113 C GLU A 8 -0.005 10.591 -5.515 1.00 0.00 C ATOM 114 O GLU A 8 -0.544 11.474 -6.183 1.00 0.00 O ATOM 115 CB GLU A 8 -1.435 8.780 -4.557 1.00 0.00 C ATOM 116 CG GLU A 8 -2.219 7.500 -4.811 1.00 0.00 C ATOM 117 CD GLU A 8 -3.165 7.161 -3.693 1.00 0.00 C ATOM 118 OE1 GLU A 8 -3.042 7.741 -2.640 1.00 0.00 O ATOM 119 OE2 GLU A 8 -4.011 6.322 -3.891 1.00 0.00 O ATOM 120 H GLU A 8 0.779 7.562 -4.861 1.00 0.00 H ATOM 121 HA GLU A 8 -0.928 9.009 -6.620 1.00 0.00 H ATOM 122 1HB GLU A 8 -0.910 8.667 -3.608 1.00 0.00 H ATOM 123 2HB GLU A 8 -2.151 9.593 -4.439 1.00 0.00 H ATOM 124 1HG GLU A 8 -2.790 7.613 -5.732 1.00 0.00 H ATOM 125 2HG GLU A 8 -1.518 6.678 -4.949 1.00 0.00 H ATOM 126 N LYS A 9 0.966 10.835 -4.642 1.00 0.00 N ATOM 127 CA LYS A 9 1.476 12.183 -4.420 1.00 0.00 C ATOM 128 C LYS A 9 1.934 12.820 -5.726 1.00 0.00 C ATOM 129 O LYS A 9 1.636 13.983 -5.998 1.00 0.00 O ATOM 130 CB LYS A 9 2.627 12.161 -3.413 1.00 0.00 C ATOM 131 CG LYS A 9 2.202 11.886 -1.977 1.00 0.00 C ATOM 132 CD LYS A 9 3.403 11.842 -1.044 1.00 0.00 C ATOM 133 CE LYS A 9 2.981 11.561 0.390 1.00 0.00 C ATOM 134 NZ LYS A 9 4.150 11.455 1.304 1.00 0.00 N ATOM 135 H LYS A 9 1.360 10.067 -4.118 1.00 0.00 H ATOM 136 HA LYS A 9 0.676 12.791 -3.996 1.00 0.00 H ATOM 137 1HB LYS A 9 3.348 11.395 -3.702 1.00 0.00 H ATOM 138 2HB LYS A 9 3.145 13.120 -3.431 1.00 0.00 H ATOM 139 1HG LYS A 9 1.521 12.669 -1.643 1.00 0.00 H ATOM 140 2HG LYS A 9 1.681 10.930 -1.929 1.00 0.00 H ATOM 141 1HD LYS A 9 4.091 11.061 -1.371 1.00 0.00 H ATOM 142 2HD LYS A 9 3.925 12.799 -1.078 1.00 0.00 H ATOM 143 1HE LYS A 9 2.332 12.362 0.742 1.00 0.00 H ATOM 144 2HE LYS A 9 2.420 10.627 0.428 1.00 0.00 H ATOM 145 1HZ LYS A 9 3.828 11.269 2.244 1.00 0.00 H ATOM 146 2HZ LYS A 9 4.750 10.702 0.998 1.00 0.00 H ATOM 147 3HZ LYS A 9 4.667 12.323 1.293 1.00 0.00 H ATOM 148 N TYR A 10 2.659 12.052 -6.531 1.00 0.00 N ATOM 149 CA TYR A 10 3.178 12.547 -7.800 1.00 0.00 C ATOM 150 C TYR A 10 2.075 12.640 -8.847 1.00 0.00 C ATOM 151 O TYR A 10 2.092 13.525 -9.703 1.00 0.00 O ATOM 152 CB TYR A 10 4.311 11.649 -8.302 1.00 0.00 C ATOM 153 CG TYR A 10 5.600 11.800 -7.524 1.00 0.00 C ATOM 154 CD1 TYR A 10 6.047 10.766 -6.716 1.00 0.00 C ATOM 155 CD2 TYR A 10 6.334 12.973 -7.620 1.00 0.00 C ATOM 156 CE1 TYR A 10 7.223 10.904 -6.005 1.00 0.00 C ATOM 157 CE2 TYR A 10 7.511 13.111 -6.909 1.00 0.00 C ATOM 158 CZ TYR A 10 7.955 12.082 -6.105 1.00 0.00 C ATOM 159 OH TYR A 10 9.127 12.219 -5.397 1.00 0.00 O ATOM 160 H TYR A 10 2.857 11.100 -6.256 1.00 0.00 H ATOM 161 HA TYR A 10 3.593 13.543 -7.640 1.00 0.00 H ATOM 162 1HB TYR A 10 4.000 10.605 -8.247 1.00 0.00 H ATOM 163 2HB TYR A 10 4.517 11.874 -9.348 1.00 0.00 H ATOM 164 HD1 TYR A 10 5.469 9.844 -6.641 1.00 0.00 H ATOM 165 HD2 TYR A 10 5.982 13.786 -8.255 1.00 0.00 H ATOM 166 HE1 TYR A 10 7.575 10.091 -5.370 1.00 0.00 H ATOM 167 HE2 TYR A 10 8.087 14.033 -6.984 1.00 0.00 H ATOM 168 HH TYR A 10 9.414 13.135 -5.430 1.00 0.00 H ATOM 169 N ILE A 11 1.117 11.723 -8.773 1.00 0.00 N ATOM 170 CA ILE A 11 -0.059 11.772 -9.634 1.00 0.00 C ATOM 171 C ILE A 11 -0.894 13.015 -9.354 1.00 0.00 C ATOM 172 O ILE A 11 -1.412 13.647 -10.275 1.00 0.00 O ATOM 173 CB ILE A 11 -0.929 10.515 -9.447 1.00 0.00 C ATOM 174 CG1 ILE A 11 -0.199 9.278 -9.975 1.00 0.00 C ATOM 175 CG2 ILE A 11 -2.268 10.687 -10.148 1.00 0.00 C ATOM 176 CD1 ILE A 11 -0.805 7.970 -9.518 1.00 0.00 C ATOM 177 H ILE A 11 1.206 10.972 -8.104 1.00 0.00 H ATOM 178 HA ILE A 11 0.273 11.800 -10.672 1.00 0.00 H ATOM 179 HB ILE A 11 -1.104 10.349 -8.385 1.00 0.00 H ATOM 180 1HG1 ILE A 11 -0.200 9.292 -11.064 1.00 0.00 H ATOM 181 2HG1 ILE A 11 0.841 9.302 -9.650 1.00 0.00 H ATOM 182 1HG2 ILE A 11 -2.870 9.789 -10.006 1.00 0.00 H ATOM 183 2HG2 ILE A 11 -2.791 11.544 -9.727 1.00 0.00 H ATOM 184 3HG2 ILE A 11 -2.103 10.849 -11.213 1.00 0.00 H ATOM 185 1HD1 ILE A 11 -0.233 7.139 -9.932 1.00 0.00 H ATOM 186 2HD1 ILE A 11 -0.781 7.919 -8.429 1.00 0.00 H ATOM 187 3HD1 ILE A 11 -1.836 7.907 -9.862 1.00 0.00 H ATOM 188 N LYS A 12 -1.023 13.361 -8.078 1.00 0.00 N ATOM 189 CA LYS A 12 -1.726 14.574 -7.680 1.00 0.00 C ATOM 190 C LYS A 12 -1.025 15.817 -8.214 1.00 0.00 C ATOM 191 O LYS A 12 -1.674 16.766 -8.653 1.00 0.00 O ATOM 192 CB LYS A 12 -1.843 14.650 -6.157 1.00 0.00 C ATOM 193 CG LYS A 12 -2.822 13.654 -5.550 1.00 0.00 C ATOM 194 CD LYS A 12 -2.808 13.720 -4.031 1.00 0.00 C ATOM 195 CE LYS A 12 -3.745 12.687 -3.422 1.00 0.00 C ATOM 196 NZ LYS A 12 -3.711 12.713 -1.934 1.00 0.00 N ATOM 197 H LYS A 12 -0.623 12.767 -7.365 1.00 0.00 H ATOM 198 HA LYS A 12 -2.736 14.539 -8.089 1.00 0.00 H ATOM 199 1HB LYS A 12 -0.865 14.474 -5.707 1.00 0.00 H ATOM 200 2HB LYS A 12 -2.161 15.652 -5.866 1.00 0.00 H ATOM 201 1HG LYS A 12 -3.830 13.872 -5.906 1.00 0.00 H ATOM 202 2HG LYS A 12 -2.555 12.645 -5.864 1.00 0.00 H ATOM 203 1HD LYS A 12 -1.796 13.540 -3.667 1.00 0.00 H ATOM 204 2HD LYS A 12 -3.120 14.713 -3.707 1.00 0.00 H ATOM 205 1HE LYS A 12 -4.764 12.880 -3.754 1.00 0.00 H ATOM 206 2HE LYS A 12 -3.458 11.692 -3.761 1.00 0.00 H ATOM 207 1HZ LYS A 12 -4.344 12.015 -1.571 1.00 0.00 H ATOM 208 2HZ LYS A 12 -2.773 12.516 -1.615 1.00 0.00 H ATOM 209 3HZ LYS A 12 -3.994 13.626 -1.607 1.00 0.00 H ATOM 210 N ARG A 13 0.303 15.805 -8.174 1.00 0.00 N ATOM 211 CA ARG A 13 1.098 16.861 -8.789 1.00 0.00 C ATOM 212 C ARG A 13 0.868 16.918 -10.293 1.00 0.00 C ATOM 213 O ARG A 13 0.793 17.998 -10.879 1.00 0.00 O ATOM 214 CB ARG A 13 2.578 16.646 -8.513 1.00 0.00 C ATOM 215 CG ARG A 13 3.000 16.876 -7.070 1.00 0.00 C ATOM 216 CD ARG A 13 4.452 16.633 -6.877 1.00 0.00 C ATOM 217 NE ARG A 13 4.839 16.738 -5.479 1.00 0.00 N ATOM 218 CZ ARG A 13 6.086 16.532 -5.012 1.00 0.00 C ATOM 219 NH1 ARG A 13 7.054 16.212 -5.842 1.00 0.00 N ATOM 220 NH2 ARG A 13 6.336 16.653 -3.720 1.00 0.00 N ATOM 221 H ARG A 13 0.774 15.044 -7.705 1.00 0.00 H ATOM 222 HA ARG A 13 0.801 17.816 -8.353 1.00 0.00 H ATOM 223 1HB ARG A 13 2.854 15.627 -8.778 1.00 0.00 H ATOM 224 2HB ARG A 13 3.166 17.318 -9.139 1.00 0.00 H ATOM 225 1HG ARG A 13 2.785 17.907 -6.788 1.00 0.00 H ATOM 226 2HG ARG A 13 2.449 16.198 -6.417 1.00 0.00 H ATOM 227 1HD ARG A 13 4.703 15.631 -7.225 1.00 0.00 H ATOM 228 2HD ARG A 13 5.023 17.367 -7.444 1.00 0.00 H ATOM 229 HE ARG A 13 4.121 16.983 -4.810 1.00 0.00 H ATOM 230 1HH1 ARG A 13 6.862 16.120 -6.830 1.00 0.00 H ATOM 231 2HH1 ARG A 13 7.988 16.058 -5.492 1.00 0.00 H ATOM 232 1HH2 ARG A 13 5.592 16.899 -3.082 1.00 0.00 H ATOM 233 2HH2 ARG A 13 7.270 16.499 -3.371 1.00 0.00 H ATOM 234 N ALA A 14 0.757 15.749 -10.915 1.00 0.00 N ATOM 235 CA ALA A 14 0.587 15.663 -12.360 1.00 0.00 C ATOM 236 C ALA A 14 -0.881 15.772 -12.750 1.00 0.00 C ATOM 237 O ALA A 14 -1.224 15.735 -13.932 1.00 0.00 O ATOM 238 CB ALA A 14 1.179 14.363 -12.886 1.00 0.00 C ATOM 239 H ALA A 14 0.791 14.898 -10.372 1.00 0.00 H ATOM 240 HA ALA A 14 1.134 16.485 -12.823 1.00 0.00 H ATOM 241 1HB ALA A 14 1.045 14.313 -13.967 1.00 0.00 H ATOM 242 2HB ALA A 14 2.242 14.325 -12.651 1.00 0.00 H ATOM 243 3HB ALA A 14 0.674 13.519 -12.419 1.00 0.00 H ATOM 244 N ASN A 15 -1.745 15.907 -11.750 1.00 0.00 N ATOM 245 CA ASN A 15 -3.171 16.095 -11.990 1.00 0.00 C ATOM 246 C ASN A 15 -3.749 14.947 -12.807 1.00 0.00 C ATOM 247 O ASN A 15 -4.588 15.156 -13.683 1.00 0.00 O ATOM 248 CB ASN A 15 -3.425 17.423 -12.680 1.00 0.00 C ATOM 249 CG ASN A 15 -3.039 18.600 -11.828 1.00 0.00 C ATOM 250 OD1 ASN A 15 -3.356 18.649 -10.634 1.00 0.00 O ATOM 251 ND2 ASN A 15 -2.360 19.550 -12.419 1.00 0.00 N ATOM 252 H ASN A 15 -1.406 15.877 -10.799 1.00 0.00 H ATOM 253 HA ASN A 15 -3.686 16.099 -11.028 1.00 0.00 H ATOM 254 1HB ASN A 15 -2.861 17.463 -13.612 1.00 0.00 H ATOM 255 2HB ASN A 15 -4.482 17.504 -12.933 1.00 0.00 H ATOM 256 1HD2 ASN A 15 -2.076 20.358 -11.901 1.00 0.00 H ATOM 257 2HD2 ASN A 15 -2.126 19.469 -13.387 1.00 0.00 H ATOM 258 N GLY A 16 -3.295 13.733 -12.515 1.00 0.00 N ATOM 259 CA GLY A 16 -3.865 12.536 -13.122 1.00 0.00 C ATOM 260 C GLY A 16 -2.956 11.988 -14.216 1.00 0.00 C ATOM 261 O GLY A 16 -3.029 10.809 -14.564 1.00 0.00 O ATOM 262 H GLY A 16 -2.537 13.636 -11.855 1.00 0.00 H ATOM 263 1HA GLY A 16 -4.016 11.775 -12.356 1.00 0.00 H ATOM 264 2HA GLY A 16 -4.843 12.770 -13.540 1.00 0.00 H ATOM 265 N ASP A 17 -2.101 12.850 -14.754 1.00 0.00 N ATOM 266 CA ASP A 17 -1.196 12.462 -15.830 1.00 0.00 C ATOM 267 C ASP A 17 -0.111 11.520 -15.323 1.00 0.00 C ATOM 268 O ASP A 17 0.865 11.954 -14.711 1.00 0.00 O ATOM 269 CB ASP A 17 -0.553 13.698 -16.462 1.00 0.00 C ATOM 270 CG ASP A 17 0.368 13.356 -17.626 1.00 0.00 C ATOM 271 OD1 ASP A 17 0.832 12.242 -17.684 1.00 0.00 O ATOM 272 OD2 ASP A 17 0.599 14.213 -18.446 1.00 0.00 O ATOM 273 H ASP A 17 -2.077 13.799 -14.410 1.00 0.00 H ATOM 274 HA ASP A 17 -1.772 11.939 -16.594 1.00 0.00 H ATOM 275 1HB ASP A 17 -1.332 14.371 -16.821 1.00 0.00 H ATOM 276 2HB ASP A 17 0.022 14.235 -15.708 1.00 0.00 H ATOM 277 N TYR A 18 -0.287 10.229 -15.583 1.00 0.00 N ATOM 278 CA TYR A 18 0.582 9.207 -15.011 1.00 0.00 C ATOM 279 C TYR A 18 2.001 9.325 -15.552 1.00 0.00 C ATOM 280 O TYR A 18 2.973 9.141 -14.819 1.00 0.00 O ATOM 281 CB TYR A 18 0.022 7.811 -15.290 1.00 0.00 C ATOM 282 CG TYR A 18 -1.229 7.486 -14.505 1.00 0.00 C ATOM 283 CD1 TYR A 18 -2.477 7.660 -15.086 1.00 0.00 C ATOM 284 CD2 TYR A 18 -1.129 7.015 -13.205 1.00 0.00 C ATOM 285 CE1 TYR A 18 -3.620 7.364 -14.369 1.00 0.00 C ATOM 286 CE2 TYR A 18 -2.272 6.719 -12.488 1.00 0.00 C ATOM 287 CZ TYR A 18 -3.514 6.892 -13.065 1.00 0.00 C ATOM 288 OH TYR A 18 -4.652 6.597 -12.351 1.00 0.00 O ATOM 289 H TYR A 18 -1.042 9.948 -16.192 1.00 0.00 H ATOM 290 HA TYR A 18 0.608 9.341 -13.929 1.00 0.00 H ATOM 291 1HB TYR A 18 -0.208 7.716 -16.353 1.00 0.00 H ATOM 292 2HB TYR A 18 0.777 7.062 -15.052 1.00 0.00 H ATOM 293 HD1 TYR A 18 -2.555 8.031 -16.108 1.00 0.00 H ATOM 294 HD2 TYR A 18 -0.149 6.879 -12.748 1.00 0.00 H ATOM 295 HE1 TYR A 18 -4.600 7.501 -14.825 1.00 0.00 H ATOM 296 HE2 TYR A 18 -2.194 6.349 -11.465 1.00 0.00 H ATOM 297 HH TYR A 18 -5.424 6.798 -12.885 1.00 0.00 H ATOM 298 N ASP A 19 2.114 9.633 -16.840 1.00 0.00 N ATOM 299 CA ASP A 19 3.415 9.743 -17.490 1.00 0.00 C ATOM 300 C ASP A 19 4.236 10.877 -16.890 1.00 0.00 C ATOM 301 O ASP A 19 5.422 10.712 -16.603 1.00 0.00 O ATOM 302 CB ASP A 19 3.245 9.969 -18.994 1.00 0.00 C ATOM 303 CG ASP A 19 2.741 8.732 -19.726 1.00 0.00 C ATOM 304 OD1 ASP A 19 2.780 7.669 -19.152 1.00 0.00 O ATOM 305 OD2 ASP A 19 2.322 8.861 -20.851 1.00 0.00 O ATOM 306 H ASP A 19 1.278 9.796 -17.382 1.00 0.00 H ATOM 307 HA ASP A 19 3.954 8.806 -17.346 1.00 0.00 H ATOM 308 1HB ASP A 19 2.541 10.784 -19.163 1.00 0.00 H ATOM 309 2HB ASP A 19 4.200 10.265 -19.428 1.00 0.00 H ATOM 310 N LYS A 20 3.599 12.028 -16.702 1.00 0.00 N ATOM 311 CA LYS A 20 4.235 13.155 -16.031 1.00 0.00 C ATOM 312 C LYS A 20 4.612 12.802 -14.598 1.00 0.00 C ATOM 313 O LYS A 20 5.710 13.117 -14.139 1.00 0.00 O ATOM 314 CB LYS A 20 3.315 14.376 -16.047 1.00 0.00 C ATOM 315 CG LYS A 20 3.888 15.605 -15.352 1.00 0.00 C ATOM 316 CD LYS A 20 2.949 16.795 -15.471 1.00 0.00 C ATOM 317 CE LYS A 20 3.488 18.004 -14.721 1.00 0.00 C ATOM 318 NZ LYS A 20 2.601 19.190 -14.865 1.00 0.00 N ATOM 319 H LYS A 20 2.650 12.124 -17.033 1.00 0.00 H ATOM 320 HA LYS A 20 5.143 13.415 -16.577 1.00 0.00 H ATOM 321 1HB LYS A 20 3.091 14.650 -17.079 1.00 0.00 H ATOM 322 2HB LYS A 20 2.371 14.127 -15.562 1.00 0.00 H ATOM 323 1HG LYS A 20 4.049 15.384 -14.297 1.00 0.00 H ATOM 324 2HG LYS A 20 4.846 15.863 -15.801 1.00 0.00 H ATOM 325 1HD LYS A 20 2.824 17.057 -16.523 1.00 0.00 H ATOM 326 2HD LYS A 20 1.973 16.532 -15.063 1.00 0.00 H ATOM 327 1HE LYS A 20 3.582 17.763 -13.663 1.00 0.00 H ATOM 328 2HE LYS A 20 4.477 18.258 -15.102 1.00 0.00 H ATOM 329 1HZ LYS A 20 2.993 19.969 -14.355 1.00 0.00 H ATOM 330 2HZ LYS A 20 2.521 19.435 -15.842 1.00 0.00 H ATOM 331 3HZ LYS A 20 1.685 18.973 -14.497 1.00 0.00 H ATOM 332 N ALA A 21 3.695 12.145 -13.895 1.00 0.00 N ATOM 333 CA ALA A 21 3.934 11.737 -12.516 1.00 0.00 C ATOM 334 C ALA A 21 5.201 10.900 -12.401 1.00 0.00 C ATOM 335 O ALA A 21 5.989 11.074 -11.472 1.00 0.00 O ATOM 336 CB ALA A 21 2.738 10.965 -11.978 1.00 0.00 C ATOM 337 H ALA A 21 2.809 11.924 -14.328 1.00 0.00 H ATOM 338 HA ALA A 21 4.050 12.634 -11.905 1.00 0.00 H ATOM 339 1HB ALA A 21 2.932 10.667 -10.947 1.00 0.00 H ATOM 340 2HB ALA A 21 1.851 11.597 -12.012 1.00 0.00 H ATOM 341 3HB ALA A 21 2.575 10.077 -12.587 1.00 0.00 H ATOM 342 N GLN A 22 5.391 9.990 -13.350 1.00 0.00 N ATOM 343 CA GLN A 22 6.598 9.174 -13.399 1.00 0.00 C ATOM 344 C GLN A 22 7.846 10.042 -13.493 1.00 0.00 C ATOM 345 O GLN A 22 8.825 9.817 -12.782 1.00 0.00 O ATOM 346 CB GLN A 22 6.543 8.206 -14.584 1.00 0.00 C ATOM 347 CG GLN A 22 5.500 7.111 -14.445 1.00 0.00 C ATOM 348 CD GLN A 22 5.249 6.381 -15.752 1.00 0.00 C ATOM 349 OE1 GLN A 22 6.159 6.210 -16.568 1.00 0.00 O ATOM 350 NE2 GLN A 22 4.012 5.946 -15.958 1.00 0.00 N ATOM 351 H GLN A 22 4.680 9.860 -14.056 1.00 0.00 H ATOM 352 HA GLN A 22 6.652 8.582 -12.484 1.00 0.00 H ATOM 353 1HB GLN A 22 6.330 8.761 -15.497 1.00 0.00 H ATOM 354 2HB GLN A 22 7.516 7.730 -14.710 1.00 0.00 H ATOM 355 1HG GLN A 22 5.845 6.385 -13.709 1.00 0.00 H ATOM 356 2HG GLN A 22 4.561 7.557 -14.118 1.00 0.00 H ATOM 357 1HE2 GLN A 22 3.786 5.458 -16.802 1.00 0.00 H ATOM 358 2HE2 GLN A 22 3.304 6.107 -15.270 1.00 0.00 H ATOM 359 N GLU A 23 7.805 11.034 -14.376 1.00 0.00 N ATOM 360 CA GLU A 23 8.946 11.916 -14.590 1.00 0.00 C ATOM 361 C GLU A 23 9.198 12.796 -13.373 1.00 0.00 C ATOM 362 O GLU A 23 10.344 13.105 -13.045 1.00 0.00 O ATOM 363 CB GLU A 23 8.719 12.791 -15.826 1.00 0.00 C ATOM 364 CG GLU A 23 8.671 12.023 -17.139 1.00 0.00 C ATOM 365 CD GLU A 23 9.946 11.280 -17.429 1.00 0.00 C ATOM 366 OE1 GLU A 23 10.994 11.868 -17.312 1.00 0.00 O ATOM 367 OE2 GLU A 23 9.871 10.123 -17.769 1.00 0.00 O ATOM 368 H GLU A 23 6.961 11.181 -14.911 1.00 0.00 H ATOM 369 HA GLU A 23 9.829 11.302 -14.767 1.00 0.00 H ATOM 370 1HB GLU A 23 7.779 13.332 -15.721 1.00 0.00 H ATOM 371 2HB GLU A 23 9.516 13.530 -15.900 1.00 0.00 H ATOM 372 1HG GLU A 23 7.849 11.309 -17.101 1.00 0.00 H ATOM 373 2HG GLU A 23 8.471 12.722 -17.950 1.00 0.00 H ATOM 374 N LEU A 24 8.122 13.198 -12.706 1.00 0.00 N ATOM 375 CA LEU A 24 8.228 13.983 -11.482 1.00 0.00 C ATOM 376 C LEU A 24 8.950 13.206 -10.389 1.00 0.00 C ATOM 377 O LEU A 24 9.773 13.760 -9.661 1.00 0.00 O ATOM 378 CB LEU A 24 6.832 14.391 -10.992 1.00 0.00 C ATOM 379 CG LEU A 24 6.095 15.418 -11.860 1.00 0.00 C ATOM 380 CD1 LEU A 24 4.673 15.592 -11.345 1.00 0.00 C ATOM 381 CD2 LEU A 24 6.851 16.738 -11.837 1.00 0.00 C ATOM 382 H LEU A 24 7.206 12.953 -13.056 1.00 0.00 H ATOM 383 HA LEU A 24 8.795 14.889 -11.700 1.00 0.00 H ATOM 384 1HB LEU A 24 6.211 13.499 -10.934 1.00 0.00 H ATOM 385 2HB LEU A 24 6.925 14.809 -9.989 1.00 0.00 H ATOM 386 HG LEU A 24 6.036 15.052 -12.885 1.00 0.00 H ATOM 387 1HD1 LEU A 24 4.149 16.322 -11.962 1.00 0.00 H ATOM 388 2HD1 LEU A 24 4.150 14.637 -11.391 1.00 0.00 H ATOM 389 3HD1 LEU A 24 4.700 15.943 -10.314 1.00 0.00 H ATOM 390 1HD2 LEU A 24 6.328 17.468 -12.455 1.00 0.00 H ATOM 391 2HD2 LEU A 24 6.910 17.106 -10.812 1.00 0.00 H ATOM 392 3HD2 LEU A 24 7.858 16.588 -12.226 1.00 0.00 H ATOM 393 N ALA A 25 8.637 11.919 -10.280 1.00 0.00 N ATOM 394 CA ALA A 25 9.329 11.039 -9.346 1.00 0.00 C ATOM 395 C ALA A 25 10.809 10.926 -9.690 1.00 0.00 C ATOM 396 O ALA A 25 11.662 10.905 -8.803 1.00 0.00 O ATOM 397 CB ALA A 25 8.681 9.662 -9.337 1.00 0.00 C ATOM 398 H ALA A 25 7.901 11.541 -10.859 1.00 0.00 H ATOM 399 HA ALA A 25 9.234 11.456 -8.343 1.00 0.00 H ATOM 400 1HB ALA A 25 9.209 9.017 -8.635 1.00 0.00 H ATOM 401 2HB ALA A 25 7.639 9.753 -9.033 1.00 0.00 H ATOM 402 3HB ALA A 25 8.732 9.230 -10.335 1.00 0.00 H ATOM 403 N LYS A 26 11.107 10.853 -10.983 1.00 0.00 N ATOM 404 CA LYS A 26 12.487 10.801 -11.449 1.00 0.00 C ATOM 405 C LYS A 26 13.251 12.056 -11.048 1.00 0.00 C ATOM 406 O LYS A 26 14.418 11.988 -10.661 1.00 0.00 O ATOM 407 CB LYS A 26 12.534 10.619 -12.967 1.00 0.00 C ATOM 408 CG LYS A 26 12.066 9.253 -13.451 1.00 0.00 C ATOM 409 CD LYS A 26 12.090 9.168 -14.970 1.00 0.00 C ATOM 410 CE LYS A 26 11.459 7.874 -15.462 1.00 0.00 C ATOM 411 NZ LYS A 26 11.413 7.807 -16.948 1.00 0.00 N ATOM 412 H LYS A 26 10.358 10.832 -11.660 1.00 0.00 H ATOM 413 HA LYS A 26 12.974 9.936 -10.996 1.00 0.00 H ATOM 414 1HB LYS A 26 11.909 11.375 -13.443 1.00 0.00 H ATOM 415 2HB LYS A 26 13.554 10.768 -13.320 1.00 0.00 H ATOM 416 1HG LYS A 26 12.716 8.479 -13.042 1.00 0.00 H ATOM 417 2HG LYS A 26 11.050 9.072 -13.102 1.00 0.00 H ATOM 418 1HD LYS A 26 11.543 10.012 -15.391 1.00 0.00 H ATOM 419 2HD LYS A 26 13.121 9.214 -15.321 1.00 0.00 H ATOM 420 1HE LYS A 26 12.033 7.025 -15.091 1.00 0.00 H ATOM 421 2HE LYS A 26 10.443 7.794 -15.076 1.00 0.00 H ATOM 422 1HZ LYS A 26 10.988 6.936 -17.234 1.00 0.00 H ATOM 423 2HZ LYS A 26 10.867 8.580 -17.304 1.00 0.00 H ATOM 424 3HZ LYS A 26 12.351 7.861 -17.318 1.00 0.00 H ATOM 425 N LYS A 27 12.587 13.203 -11.143 1.00 0.00 N ATOM 426 CA LYS A 27 13.207 14.479 -10.805 1.00 0.00 C ATOM 427 C LYS A 27 13.662 14.502 -9.352 1.00 0.00 C ATOM 428 O LYS A 27 14.716 15.050 -9.030 1.00 0.00 O ATOM 429 CB LYS A 27 12.239 15.632 -11.072 1.00 0.00 C ATOM 430 CG LYS A 27 12.004 15.928 -12.547 1.00 0.00 C ATOM 431 CD LYS A 27 11.008 17.064 -12.731 1.00 0.00 C ATOM 432 CE LYS A 27 10.738 17.331 -14.204 1.00 0.00 C ATOM 433 NZ LYS A 27 9.768 18.443 -14.399 1.00 0.00 N ATOM 434 H LYS A 27 11.627 13.191 -11.458 1.00 0.00 H ATOM 435 HA LYS A 27 14.078 14.621 -11.447 1.00 0.00 H ATOM 436 1HB LYS A 27 11.273 15.409 -10.617 1.00 0.00 H ATOM 437 2HB LYS A 27 12.619 16.541 -10.605 1.00 0.00 H ATOM 438 1HG LYS A 27 12.948 16.204 -13.018 1.00 0.00 H ATOM 439 2HG LYS A 27 11.620 15.036 -13.040 1.00 0.00 H ATOM 440 1HD LYS A 27 10.069 16.808 -12.238 1.00 0.00 H ATOM 441 2HD LYS A 27 11.402 17.971 -12.273 1.00 0.00 H ATOM 442 1HE LYS A 27 11.671 17.587 -14.704 1.00 0.00 H ATOM 443 2HE LYS A 27 10.337 16.431 -14.670 1.00 0.00 H ATOM 444 1HZ LYS A 27 9.616 18.588 -15.388 1.00 0.00 H ATOM 445 2HZ LYS A 27 8.891 18.208 -13.955 1.00 0.00 H ATOM 446 3HZ LYS A 27 10.137 19.288 -13.989 1.00 0.00 H ATOM 447 N ASP A 28 12.862 13.903 -8.477 1.00 0.00 N ATOM 448 CA ASP A 28 13.199 13.821 -7.061 1.00 0.00 C ATOM 449 C ASP A 28 14.169 12.678 -6.790 1.00 0.00 C ATOM 450 O ASP A 28 14.573 12.451 -5.650 1.00 0.00 O ATOM 451 CB ASP A 28 11.935 13.636 -6.218 1.00 0.00 C ATOM 452 CG ASP A 28 11.072 14.890 -6.161 1.00 0.00 C ATOM 453 OD1 ASP A 28 11.556 15.937 -6.519 1.00 0.00 O ATOM 454 OD2 ASP A 28 9.937 14.787 -5.760 1.00 0.00 O ATOM 455 H ASP A 28 11.997 13.493 -8.801 1.00 0.00 H ATOM 456 HA ASP A 28 13.683 14.753 -6.766 1.00 0.00 H ATOM 457 1HB ASP A 28 11.339 12.821 -6.629 1.00 0.00 H ATOM 458 2HB ASP A 28 12.213 13.358 -5.201 1.00 0.00 H ATOM 459 N GLY A 29 14.539 11.961 -7.846 1.00 0.00 N ATOM 460 CA GLY A 29 15.480 10.853 -7.727 1.00 0.00 C ATOM 461 C GLY A 29 14.755 9.543 -7.449 1.00 0.00 C ATOM 462 O GLY A 29 15.366 8.475 -7.436 1.00 0.00 O ATOM 463 H GLY A 29 14.160 12.190 -8.753 1.00 0.00 H ATOM 464 1HA GLY A 29 16.057 10.766 -8.648 1.00 0.00 H ATOM 465 2HA GLY A 29 16.186 11.060 -6.924 1.00 0.00 H ATOM 466 N ASN A 30 13.448 9.631 -7.227 1.00 0.00 N ATOM 467 CA ASN A 30 12.661 8.476 -6.812 1.00 0.00 C ATOM 468 C ASN A 30 12.237 7.639 -8.011 1.00 0.00 C ATOM 469 O ASN A 30 11.049 7.533 -8.318 1.00 0.00 O ATOM 470 CB ASN A 30 11.449 8.915 -6.011 1.00 0.00 C ATOM 471 CG ASN A 30 11.817 9.469 -4.662 1.00 0.00 C ATOM 472 OD1 ASN A 30 12.737 8.971 -4.003 1.00 0.00 O ATOM 473 ND2 ASN A 30 11.117 10.490 -4.239 1.00 0.00 N ATOM 474 H ASN A 30 12.987 10.522 -7.348 1.00 0.00 H ATOM 475 HA ASN A 30 13.285 7.842 -6.179 1.00 0.00 H ATOM 476 1HB ASN A 30 10.902 9.677 -6.567 1.00 0.00 H ATOM 477 2HB ASN A 30 10.779 8.067 -5.871 1.00 0.00 H ATOM 478 1HD2 ASN A 30 11.317 10.900 -3.349 1.00 0.00 H ATOM 479 2HD2 ASN A 30 10.381 10.860 -4.806 1.00 0.00 H ATOM 480 N GLU A 31 13.214 7.045 -8.688 1.00 0.00 N ATOM 481 CA GLU A 31 12.940 6.182 -9.831 1.00 0.00 C ATOM 482 C GLU A 31 12.177 4.933 -9.408 1.00 0.00 C ATOM 483 O GLU A 31 11.390 4.384 -10.179 1.00 0.00 O ATOM 484 CB GLU A 31 14.245 5.784 -10.523 1.00 0.00 C ATOM 485 CG GLU A 31 14.955 6.928 -11.233 1.00 0.00 C ATOM 486 CD GLU A 31 16.249 6.508 -11.872 1.00 0.00 C ATOM 487 OE1 GLU A 31 16.666 5.396 -11.649 1.00 0.00 O ATOM 488 OE2 GLU A 31 16.822 7.299 -12.584 1.00 0.00 O ATOM 489 H GLU A 31 14.171 7.195 -8.403 1.00 0.00 H ATOM 490 HA GLU A 31 12.333 6.738 -10.546 1.00 0.00 H ATOM 491 1HB GLU A 31 14.935 5.367 -9.789 1.00 0.00 H ATOM 492 2HB GLU A 31 14.044 5.007 -11.260 1.00 0.00 H ATOM 493 1HG GLU A 31 14.296 7.328 -12.004 1.00 0.00 H ATOM 494 2HG GLU A 31 15.151 7.722 -10.514 1.00 0.00 H ATOM 495 N GLU A 32 12.414 4.489 -8.178 1.00 0.00 N ATOM 496 CA GLU A 32 11.645 3.395 -7.597 1.00 0.00 C ATOM 497 C GLU A 32 10.154 3.707 -7.604 1.00 0.00 C ATOM 498 O GLU A 32 9.334 2.856 -7.951 1.00 0.00 O ATOM 499 CB GLU A 32 12.111 3.117 -6.166 1.00 0.00 C ATOM 500 CG GLU A 32 11.381 1.971 -5.479 1.00 0.00 C ATOM 501 CD GLU A 32 11.938 1.655 -4.119 1.00 0.00 C ATOM 502 OE1 GLU A 32 12.930 2.238 -3.754 1.00 0.00 O ATOM 503 OE2 GLU A 32 11.369 0.830 -3.444 1.00 0.00 O ATOM 504 H GLU A 32 13.146 4.920 -7.632 1.00 0.00 H ATOM 505 HA GLU A 32 11.817 2.497 -8.191 1.00 0.00 H ATOM 506 1HB GLU A 32 13.175 2.881 -6.170 1.00 0.00 H ATOM 507 2HB GLU A 32 11.976 4.012 -5.559 1.00 0.00 H ATOM 508 1HG GLU A 32 10.329 2.235 -5.376 1.00 0.00 H ATOM 509 2HG GLU A 32 11.445 1.084 -6.108 1.00 0.00 H ATOM 510 N ILE A 33 9.808 4.930 -7.219 1.00 0.00 N ATOM 511 CA ILE A 33 8.412 5.345 -7.147 1.00 0.00 C ATOM 512 C ILE A 33 7.834 5.577 -8.537 1.00 0.00 C ATOM 513 O ILE A 33 6.652 5.334 -8.777 1.00 0.00 O ATOM 514 CB ILE A 33 8.263 6.627 -6.308 1.00 0.00 C ATOM 515 CG1 ILE A 33 8.710 6.376 -4.865 1.00 0.00 C ATOM 516 CG2 ILE A 33 6.825 7.122 -6.344 1.00 0.00 C ATOM 517 CD1 ILE A 33 7.994 5.226 -4.195 1.00 0.00 C ATOM 518 H ILE A 33 10.531 5.590 -6.969 1.00 0.00 H ATOM 519 HA ILE A 33 7.841 4.555 -6.658 1.00 0.00 H ATOM 520 HB ILE A 33 8.914 7.403 -6.709 1.00 0.00 H ATOM 521 1HG1 ILE A 33 9.779 6.170 -4.847 1.00 0.00 H ATOM 522 2HG1 ILE A 33 8.541 7.274 -4.270 1.00 0.00 H ATOM 523 1HG2 ILE A 33 6.737 8.029 -5.746 1.00 0.00 H ATOM 524 2HG2 ILE A 33 6.541 7.338 -7.373 1.00 0.00 H ATOM 525 3HG2 ILE A 33 6.165 6.355 -5.939 1.00 0.00 H ATOM 526 1HD1 ILE A 33 8.364 5.110 -3.176 1.00 0.00 H ATOM 527 2HD1 ILE A 33 6.922 5.429 -4.171 1.00 0.00 H ATOM 528 3HD1 ILE A 33 8.177 4.309 -4.753 1.00 0.00 H ATOM 529 N ALA A 34 8.676 6.049 -9.451 1.00 0.00 N ATOM 530 CA ALA A 34 8.298 6.163 -10.854 1.00 0.00 C ATOM 531 C ALA A 34 7.770 4.839 -11.392 1.00 0.00 C ATOM 532 O ALA A 34 6.782 4.806 -12.126 1.00 0.00 O ATOM 533 CB ALA A 34 9.481 6.638 -11.685 1.00 0.00 C ATOM 534 H ALA A 34 9.601 6.336 -9.166 1.00 0.00 H ATOM 535 HA ALA A 34 7.511 6.914 -10.941 1.00 0.00 H ATOM 536 1HB ALA A 34 9.183 6.718 -12.731 1.00 0.00 H ATOM 537 2HB ALA A 34 9.810 7.613 -11.326 1.00 0.00 H ATOM 538 3HB ALA A 34 10.298 5.924 -11.595 1.00 0.00 H ATOM 539 N GLU A 35 8.434 3.749 -11.023 1.00 0.00 N ATOM 540 CA GLU A 35 7.977 2.413 -11.386 1.00 0.00 C ATOM 541 C GLU A 35 6.733 2.024 -10.599 1.00 0.00 C ATOM 542 O GLU A 35 5.853 1.333 -11.112 1.00 0.00 O ATOM 543 CB GLU A 35 9.087 1.387 -11.147 1.00 0.00 C ATOM 544 CG GLU A 35 10.288 1.533 -12.069 1.00 0.00 C ATOM 545 CD GLU A 35 9.950 1.289 -13.514 1.00 0.00 C ATOM 546 OE1 GLU A 35 9.340 0.287 -13.801 1.00 0.00 O ATOM 547 OE2 GLU A 35 10.302 2.106 -14.332 1.00 0.00 O ATOM 548 H GLU A 35 9.278 3.849 -10.476 1.00 0.00 H ATOM 549 HA GLU A 35 7.734 2.408 -12.449 1.00 0.00 H ATOM 550 1HB GLU A 35 9.442 1.468 -10.119 1.00 0.00 H ATOM 551 2HB GLU A 35 8.686 0.381 -11.276 1.00 0.00 H ATOM 552 1HG GLU A 35 10.691 2.540 -11.968 1.00 0.00 H ATOM 553 2HG GLU A 35 11.060 0.830 -11.758 1.00 0.00 H ATOM 554 N ALA A 36 6.666 2.471 -9.349 1.00 0.00 N ATOM 555 CA ALA A 36 5.489 2.248 -8.518 1.00 0.00 C ATOM 556 C ALA A 36 4.257 2.914 -9.117 1.00 0.00 C ATOM 557 O ALA A 36 3.146 2.395 -9.013 1.00 0.00 O ATOM 558 CB ALA A 36 5.733 2.758 -7.106 1.00 0.00 C ATOM 559 H ALA A 36 7.450 2.978 -8.966 1.00 0.00 H ATOM 560 HA ALA A 36 5.309 1.174 -8.455 1.00 0.00 H ATOM 561 1HB ALA A 36 4.845 2.585 -6.498 1.00 0.00 H ATOM 562 2HB ALA A 36 6.581 2.231 -6.670 1.00 0.00 H ATOM 563 3HB ALA A 36 5.947 3.825 -7.137 1.00 0.00 H ATOM 564 N ILE A 37 4.461 4.068 -9.744 1.00 0.00 N ATOM 565 CA ILE A 37 3.380 4.771 -10.425 1.00 0.00 C ATOM 566 C ILE A 37 2.860 3.967 -11.609 1.00 0.00 C ATOM 567 O ILE A 37 1.651 3.850 -11.809 1.00 0.00 O ATOM 568 CB ILE A 37 3.846 6.156 -10.910 1.00 0.00 C ATOM 569 CG1 ILE A 37 4.116 7.077 -9.717 1.00 0.00 C ATOM 570 CG2 ILE A 37 2.810 6.772 -11.837 1.00 0.00 C ATOM 571 CD1 ILE A 37 4.895 8.323 -10.071 1.00 0.00 C ATOM 572 H ILE A 37 5.388 4.468 -9.748 1.00 0.00 H ATOM 573 HA ILE A 37 2.564 4.920 -9.717 1.00 0.00 H ATOM 574 HB ILE A 37 4.788 6.055 -11.449 1.00 0.00 H ATOM 575 1HG1 ILE A 37 3.170 7.381 -9.271 1.00 0.00 H ATOM 576 2HG1 ILE A 37 4.675 6.532 -8.956 1.00 0.00 H ATOM 577 1HG2 ILE A 37 3.155 7.750 -12.170 1.00 0.00 H ATOM 578 2HG2 ILE A 37 2.666 6.125 -12.702 1.00 0.00 H ATOM 579 3HG2 ILE A 37 1.865 6.882 -11.305 1.00 0.00 H ATOM 580 1HD1 ILE A 37 5.047 8.924 -9.174 1.00 0.00 H ATOM 581 2HD1 ILE A 37 5.863 8.041 -10.487 1.00 0.00 H ATOM 582 3HD1 ILE A 37 4.339 8.903 -10.806 1.00 0.00 H ATOM 583 N LYS A 38 3.779 3.413 -12.392 1.00 0.00 N ATOM 584 CA LYS A 38 3.420 2.489 -13.460 1.00 0.00 C ATOM 585 C LYS A 38 2.552 1.352 -12.937 1.00 0.00 C ATOM 586 O LYS A 38 1.508 1.040 -13.511 1.00 0.00 O ATOM 587 CB LYS A 38 4.676 1.927 -14.128 1.00 0.00 C ATOM 588 CG LYS A 38 5.470 2.947 -14.934 1.00 0.00 C ATOM 589 CD LYS A 38 6.744 2.335 -15.497 1.00 0.00 C ATOM 590 CE LYS A 38 7.569 3.368 -16.250 1.00 0.00 C ATOM 591 NZ LYS A 38 8.865 2.809 -16.721 1.00 0.00 N ATOM 592 H LYS A 38 4.753 3.638 -12.242 1.00 0.00 H ATOM 593 HA LYS A 38 2.858 3.037 -14.218 1.00 0.00 H ATOM 594 1HB LYS A 38 5.338 1.513 -13.367 1.00 0.00 H ATOM 595 2HB LYS A 38 4.399 1.113 -14.799 1.00 0.00 H ATOM 596 1HG LYS A 38 4.858 3.315 -15.758 1.00 0.00 H ATOM 597 2HG LYS A 38 5.733 3.789 -14.295 1.00 0.00 H ATOM 598 1HD LYS A 38 7.343 1.927 -14.681 1.00 0.00 H ATOM 599 2HD LYS A 38 6.488 1.523 -16.177 1.00 0.00 H ATOM 600 1HE LYS A 38 7.006 3.725 -17.111 1.00 0.00 H ATOM 601 2HE LYS A 38 7.770 4.218 -15.598 1.00 0.00 H ATOM 602 1HZ LYS A 38 9.381 3.524 -17.214 1.00 0.00 H ATOM 603 2HZ LYS A 38 9.404 2.492 -15.927 1.00 0.00 H ATOM 604 3HZ LYS A 38 8.691 2.032 -17.342 1.00 0.00 H ATOM 605 N GLU A 39 2.989 0.735 -11.844 1.00 0.00 N ATOM 606 CA GLU A 39 2.261 -0.380 -11.250 1.00 0.00 C ATOM 607 C GLU A 39 0.935 0.081 -10.658 1.00 0.00 C ATOM 608 O GLU A 39 -0.076 -0.614 -10.758 1.00 0.00 O ATOM 609 CB GLU A 39 3.107 -1.054 -10.168 1.00 0.00 C ATOM 610 CG GLU A 39 2.426 -2.226 -9.476 1.00 0.00 C ATOM 611 CD GLU A 39 2.164 -3.380 -10.403 1.00 0.00 C ATOM 612 OE1 GLU A 39 2.745 -3.412 -11.461 1.00 0.00 O ATOM 613 OE2 GLU A 39 1.381 -4.232 -10.053 1.00 0.00 O ATOM 614 H GLU A 39 3.847 1.047 -11.414 1.00 0.00 H ATOM 615 HA GLU A 39 2.058 -1.115 -12.030 1.00 0.00 H ATOM 616 1HB GLU A 39 4.036 -1.418 -10.607 1.00 0.00 H ATOM 617 2HB GLU A 39 3.371 -0.322 -9.405 1.00 0.00 H ATOM 618 1HG GLU A 39 3.058 -2.569 -8.658 1.00 0.00 H ATOM 619 2HG GLU A 39 1.482 -1.885 -9.052 1.00 0.00 H ATOM 620 N TYR A 40 0.946 1.257 -10.040 1.00 0.00 N ATOM 621 CA TYR A 40 -0.265 1.835 -9.470 1.00 0.00 C ATOM 622 C TYR A 40 -1.371 1.935 -10.512 1.00 0.00 C ATOM 623 O TYR A 40 -2.508 1.532 -10.266 1.00 0.00 O ATOM 624 CB TYR A 40 0.028 3.213 -8.873 1.00 0.00 C ATOM 625 CG TYR A 40 -1.175 3.870 -8.233 1.00 0.00 C ATOM 626 CD1 TYR A 40 -1.440 3.670 -6.886 1.00 0.00 C ATOM 627 CD2 TYR A 40 -2.014 4.671 -8.994 1.00 0.00 C ATOM 628 CE1 TYR A 40 -2.539 4.270 -6.302 1.00 0.00 C ATOM 629 CE2 TYR A 40 -3.113 5.271 -8.409 1.00 0.00 C ATOM 630 CZ TYR A 40 -3.376 5.073 -7.069 1.00 0.00 C ATOM 631 OH TYR A 40 -4.470 5.670 -6.487 1.00 0.00 O ATOM 632 H TYR A 40 1.816 1.765 -9.964 1.00 0.00 H ATOM 633 HA TYR A 40 -0.607 1.190 -8.659 1.00 0.00 H ATOM 634 1HB TYR A 40 0.809 3.124 -8.117 1.00 0.00 H ATOM 635 2HB TYR A 40 0.402 3.875 -9.654 1.00 0.00 H ATOM 636 HD1 TYR A 40 -0.781 3.040 -6.289 1.00 0.00 H ATOM 637 HD2 TYR A 40 -1.807 4.827 -10.052 1.00 0.00 H ATOM 638 HE1 TYR A 40 -2.746 4.114 -5.244 1.00 0.00 H ATOM 639 HE2 TYR A 40 -3.772 5.900 -9.007 1.00 0.00 H ATOM 640 HH TYR A 40 -4.316 5.768 -5.544 1.00 0.00 H ATOM 641 N LYS A 41 -1.032 2.474 -11.678 1.00 0.00 N ATOM 642 CA LYS A 41 -1.976 2.564 -12.785 1.00 0.00 C ATOM 643 C LYS A 41 -2.518 1.190 -13.159 1.00 0.00 C ATOM 644 O LYS A 41 -3.713 1.030 -13.410 1.00 0.00 O ATOM 645 CB LYS A 41 -1.316 3.217 -14.001 1.00 0.00 C ATOM 646 CG LYS A 41 -2.247 3.417 -15.190 1.00 0.00 C ATOM 647 CD LYS A 41 -1.523 4.080 -16.352 1.00 0.00 C ATOM 648 CE LYS A 41 -2.444 4.257 -17.551 1.00 0.00 C ATOM 649 NZ LYS A 41 -1.734 4.854 -18.714 1.00 0.00 N ATOM 650 H LYS A 41 -0.095 2.832 -11.800 1.00 0.00 H ATOM 651 HA LYS A 41 -2.809 3.197 -12.479 1.00 0.00 H ATOM 652 1HB LYS A 41 -0.919 4.193 -13.719 1.00 0.00 H ATOM 653 2HB LYS A 41 -0.477 2.605 -14.332 1.00 0.00 H ATOM 654 1HG LYS A 41 -2.633 2.451 -15.517 1.00 0.00 H ATOM 655 2HG LYS A 41 -3.088 4.043 -14.892 1.00 0.00 H ATOM 656 1HD LYS A 41 -1.154 5.059 -16.041 1.00 0.00 H ATOM 657 2HD LYS A 41 -0.671 3.468 -16.648 1.00 0.00 H ATOM 658 1HE LYS A 41 -2.847 3.289 -17.844 1.00 0.00 H ATOM 659 2HE LYS A 41 -3.276 4.904 -17.277 1.00 0.00 H ATOM 660 1HZ LYS A 41 -2.378 4.955 -19.486 1.00 0.00 H ATOM 661 2HZ LYS A 41 -1.372 5.762 -18.458 1.00 0.00 H ATOM 662 3HZ LYS A 41 -0.971 4.252 -18.989 1.00 0.00 H ATOM 663 N LYS A 42 -1.633 0.200 -13.195 1.00 0.00 N ATOM 664 CA LYS A 42 -2.018 -1.160 -13.551 1.00 0.00 C ATOM 665 C LYS A 42 -2.996 -1.739 -12.536 1.00 0.00 C ATOM 666 O LYS A 42 -3.942 -2.438 -12.900 1.00 0.00 O ATOM 667 CB LYS A 42 -0.783 -2.056 -13.661 1.00 0.00 C ATOM 668 CG LYS A 42 0.111 -1.751 -14.856 1.00 0.00 C ATOM 669 CD LYS A 42 1.348 -2.635 -14.860 1.00 0.00 C ATOM 670 CE LYS A 42 2.265 -2.300 -16.028 1.00 0.00 C ATOM 671 NZ LYS A 42 3.495 -3.138 -16.028 1.00 0.00 N ATOM 672 H LYS A 42 -0.667 0.395 -12.970 1.00 0.00 H ATOM 673 HA LYS A 42 -2.501 -1.139 -14.529 1.00 0.00 H ATOM 674 1HB LYS A 42 -0.180 -1.957 -12.758 1.00 0.00 H ATOM 675 2HB LYS A 42 -1.095 -3.098 -13.734 1.00 0.00 H ATOM 676 1HG LYS A 42 -0.447 -1.915 -15.779 1.00 0.00 H ATOM 677 2HG LYS A 42 0.421 -0.707 -14.820 1.00 0.00 H ATOM 678 1HD LYS A 42 1.897 -2.499 -13.927 1.00 0.00 H ATOM 679 2HD LYS A 42 1.048 -3.680 -14.935 1.00 0.00 H ATOM 680 1HE LYS A 42 1.732 -2.458 -16.965 1.00 0.00 H ATOM 681 2HE LYS A 42 2.555 -1.251 -15.973 1.00 0.00 H ATOM 682 1HZ LYS A 42 4.075 -2.885 -16.815 1.00 0.00 H ATOM 683 2HZ LYS A 42 4.007 -2.985 -15.170 1.00 0.00 H ATOM 684 3HZ LYS A 42 3.239 -4.113 -16.098 1.00 0.00 H ATOM 685 N ARG A 43 -2.762 -1.444 -11.262 1.00 0.00 N ATOM 686 CA ARG A 43 -3.592 -1.976 -10.187 1.00 0.00 C ATOM 687 C ARG A 43 -4.919 -1.235 -10.098 1.00 0.00 C ATOM 688 O ARG A 43 -5.004 -0.052 -10.426 1.00 0.00 O ATOM 689 OXT ARG A 43 -5.899 -1.805 -9.703 1.00 0.00 O ATOM 690 CB ARG A 43 -2.867 -1.877 -8.853 1.00 0.00 C ATOM 691 CG ARG A 43 -1.654 -2.782 -8.715 1.00 0.00 C ATOM 692 CD ARG A 43 -0.982 -2.604 -7.402 1.00 0.00 C ATOM 693 NE ARG A 43 0.217 -3.419 -7.291 1.00 0.00 N ATOM 694 CZ ARG A 43 1.074 -3.383 -6.252 1.00 0.00 C ATOM 695 NH1 ARG A 43 0.851 -2.568 -5.245 1.00 0.00 N ATOM 696 NH2 ARG A 43 2.138 -4.166 -6.245 1.00 0.00 N ATOM 697 H ARG A 43 -1.990 -0.835 -11.032 1.00 0.00 H ATOM 698 HA ARG A 43 -3.808 -3.023 -10.404 1.00 0.00 H ATOM 699 1HB ARG A 43 -2.534 -0.852 -8.696 1.00 0.00 H ATOM 700 2HB ARG A 43 -3.557 -2.124 -8.046 1.00 0.00 H ATOM 701 1HG ARG A 43 -1.965 -3.824 -8.802 1.00 0.00 H ATOM 702 2HG ARG A 43 -0.936 -2.551 -9.502 1.00 0.00 H ATOM 703 1HD ARG A 43 -0.696 -1.559 -7.279 1.00 0.00 H ATOM 704 2HD ARG A 43 -1.664 -2.889 -6.603 1.00 0.00 H ATOM 705 HE ARG A 43 0.422 -4.059 -8.047 1.00 0.00 H ATOM 706 1HH1 ARG A 43 0.038 -1.969 -5.250 1.00 0.00 H ATOM 707 2HH1 ARG A 43 1.493 -2.540 -4.466 1.00 0.00 H ATOM 708 1HH2 ARG A 43 2.309 -4.793 -7.020 1.00 0.00 H ATOM 709 2HH2 ARG A 43 2.780 -4.139 -5.467 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE nods_bigger.blueprint.43_try163_pass_20151113121002_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_intra_sol_xover4 lk_ball_wtd fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 rama omega fa_dun p_aa_pp yhh_planarity ref total weights 1 0.55 1 0.005 1 1 1 1.25 1.17 1.17 1.17 1.1 1.25 0.25 0.625 0.7 0.4 0.625 1 NA pose -222.264 22.5162 131.506 0.41201 7.89327 -0.45312 -40.8315 0.12037 -28.1794 -1.2064 -2.14313 -13.9059 0 -8.16488 4.09721 64.4828 -7.86341 0.13377 -18.4132 -112.263 GLU:NtermProteinFull_1 -5.05204 1.23711 5.18704 0.00808 0.28095 0.25441 -3.57255 0.00167 0 0 -0.52435 -0.8152 0 0 0.00508 2.74073 0 0 -2.28137 -2.53046 PRO_2 -2.85933 0.72791 1.88881 0.00151 0.02041 -0.06935 -0.28391 0.1187 0 0 0 0 0 0.03851 0.00421 0.21986 -0.55353 0 -0.97642 -1.7226 ARG_3 -5.60105 0.51461 3.9108 0.01499 0.21625 0.36607 -2.8638 0 0 0 0 -1.20059 0 -0.28824 0.06818 2.15966 -0.10286 0 -0.4 -3.20597 GLU_4 -6.09529 0.70657 5.17061 0.00596 0.2225 0.06918 -2.28434 0 0 0 -0.52435 -0.36117 0 -0.29481 0.04083 3.0646 -0.19849 0 -2.28137 -2.75956 GLU_5 -4.39568 0.24156 3.40071 0.0069 0.21315 -0.14532 -0.31242 0 0 0 0 0 0 -0.24867 0.03975 2.70608 -0.13374 0 -2.28137 -0.90905 GLU_6 -5.66312 0.39216 3.98803 0.0065 0.63142 0.08055 -1.92426 0 0 0 0 -0.63768 0 -0.31364 0.18758 2.9475 -0.19491 0 -2.28137 -2.78123 ALA_7 -5.76833 0.65375 1.44374 0.0008 0 -0.00134 -0.38798 0 0 0 0 0 0 -0.13543 0.00435 0 -0.19185 0 1.56209 -2.8202 GLU_8 -5.95846 0.69414 4.17739 0.00646 0.20668 0.01519 -1.44081 0 0 0 0 -0.72028 0 -0.29576 0.00194 2.73322 -0.13811 0 -2.28137 -2.99979 LYS_9 -5.28836 0.39824 4.42813 0.00627 0.07016 0.08405 -1.95242 0 0 0 0 -0.63768 0 -0.14699 0.00664 1.15506 -0.05173 0 -0.47142 -2.40005 TYR_10 -9.66845 0.95822 3.49084 0.02551 0.16866 0.06843 -1.42814 0 0 0 0 -1.36779 0 -0.10171 0.20827 1.99804 0.10399 0.02413 0.21729 -5.30272 ILE_11 -7.10801 0.70637 1.79197 0.02822 0.03656 -0.01851 -0.53969 0 0 0 0 0 0 -0.08024 0.092 0.30474 -0.01866 0 2.27849 -2.52676 LYS_12 -3.83131 0.31156 2.90223 0.00635 0.07363 -0.08875 -0.22049 0 0 0 0 0 0 -0.26931 0.31044 1.05279 -0.05794 0 -0.47142 -0.28222 ARG_13 -4.44642 0.47539 3.01119 0.01146 0.14655 -0.14899 -0.67392 0 0 0 0 -0.41504 0 -0.25599 0.03644 1.61388 -0.10407 0 -0.4 -1.14953 ALA_14 -5.31452 0.82417 1.67247 0.00153 0 -0.12524 -0.46187 0 0 0 0 0 0 -0.22338 0.07246 0 -0.04168 0 1.56209 -2.03395 ASN_15 -2.43181 0.34926 2.33858 0.00675 0.23126 -0.16829 -0.03323 0 0 0 0 0 0 -0.41912 0.26613 1.61993 -0.68562 0 -1.09912 -0.02527 GLY_16 -2.0374 0.1644 1.39203 3e-05 0 -0.01385 -0.18666 0 0 0 0 0 0 -0.25862 0.01171 0 -1.00568 0 0.8121 -1.12194 ASP_17 -4.93963 0.51615 4.25469 0.01592 0.60615 -0.0778 -1.32784 0 0 0 -0.54721 0 0 -0.03659 0.39432 1.86381 -0.52979 0 -2.00354 -1.81137 TYR_18 -6.63542 0.51137 2.28439 0.02488 0.17304 -0.04608 -0.04804 0 0 0 0 0 0 -0.16235 0.01554 2.42621 0.13393 0.00058 0.21729 -1.10466 ASP_19 -3.50598 0.1787 3.2862 0.00359 0.23604 -0.06213 -0.40944 0 0 0 0 0 0 -0.09143 0.17983 1.64885 0.08368 0 -2.00354 -0.45562 LYS_20 -5.82879 0.51193 3.26246 0.00924 0.11377 -0.29123 -0.7836 0 0 0 -0.54721 0 0 -0.21377 0.00196 1.19067 -0.05535 0 -0.47142 -3.10135 ALA_21 -6.28912 0.69132 1.42343 0.00082 0 -0.00902 -0.39402 0 0 0 0 0 0 -0.14606 0.07366 0 -0.21296 0 1.56209 -3.29986 GLN_22 -7.79748 0.74344 4.23667 0.00594 0.17439 -0.42704 -0.74374 0 0 0 0 0 0 -0.06829 0.01724 3.1116 -0.07455 0 -1.60738 -2.42921 GLU_23 -5.29764 0.40925 4.51041 0.00673 0.65052 0.03468 -1.80361 0 0 0 0 -0.60272 0 -0.32199 0.07224 2.97365 -0.19656 0 -2.28137 -1.84641 LEU_24 -7.11085 0.63015 2.26801 0.01419 0.02829 -0.01439 -0.11891 0 0 0 0 0 0 -0.13209 0.14636 0.32634 -0.15241 0 1.68043 -2.4349 ALA_25 -6.55429 0.52054 2.11981 0.00082 0 -0.05561 -0.51873 0 0 0 0 0 0 -0.23625 0.04671 0 -0.23463 0 1.56209 -3.34953 LYS_26 -5.54949 0.45908 4.31078 0.00652 0.0764 0.0324 -1.53673 0 0 0 0 -0.60272 0 -0.26213 0.00326 1.12468 -0.06101 0 -0.47142 -2.47038 LYS_27 -3.3569 0.47124 2.43034 0.00629 0.07281 0.05183 -0.14649 0 0 0 0 0 0 -0.26666 0.01885 1.00633 -0.0623 0 -0.47142 -0.24609 ASP_28 -3.61217 0.39202 3.56411 0.00445 0.26944 0.09485 -1.78922 0 0 0 0 -1.14628 0 -0.30268 0.0065 2.3009 -0.29252 0 -2.00354 -2.51414 GLY_29 -1.95847 0.37425 1.92953 1e-05 0 -0.05045 -0.50839 0 0 0 0 0 0 -0.46453 0.26484 0 -1.01146 0 0.8121 -0.61257 ASN_30 -4.93646 0.48361 3.29215 0.00719 0.22616 -0.07315 -0.74897 0 0 0 0 -0.63654 0 -0.03853 0.0234 2.26809 -0.38799 0 -1.09912 -1.62018 GLU_31 -3.02467 0.31021 2.10169 0.00682 0.22001 -0.02508 -0.20645 0 0 0 0 0 0 -0.3642 0.29459 2.6385 -0.17414 0 -2.28137 -0.50408 GLU_32 -3.44868 0.17351 2.75885 0.00933 0.27185 0.31363 -1.64583 0 0 0 0 -0.77098 0 -0.1935 0.01656 2.76427 -0.1128 0 -2.28137 -2.14514 ILE_33 -7.05346 0.9812 0.94161 0.0417 0.05537 -0.0374 -0.2219 0 0 0 0 0 0 -0.05077 0.35445 1.22491 0.07922 0 2.27849 -1.40658 ALA_34 -5.64994 0.4427 1.87938 0.00081 0 -0.04559 -0.3714 0 0 0 0 0 0 -0.1031 0.13167 0 -0.19668 0 1.56209 -2.35006 GLU_35 -4.70983 0.36983 4.22421 0.00623 0.62098 0.10387 -1.92969 0 0 0 0 -0.69142 0 -0.28649 0.11377 2.88317 -0.2188 0 -2.28137 -1.79555 ALA_36 -4.63375 0.57648 1.82986 0.00086 0 -0.00196 -0.33554 0 0 0 0 0 0 -0.29566 0.07466 0 -0.23836 0 1.56209 -1.46132 ILE_37 -8.58891 1.16573 0.92254 0.02782 0.03559 0.0159 -0.4551 0 0 0 0 0 0 -0.05059 0.35364 0.18834 -0.11798 0 2.27849 -4.22454 LYS_38 -5.93695 0.47916 4.9483 0.00647 0.07238 -0.16275 -1.98878 0 0 0 0 -0.69142 0 -0.06532 0.00354 1.36264 -0.0606 0 -0.47142 -2.50475 GLU_39 -5.68601 0.40768 4.93716 0.01277 0.8898 -0.06775 -1.401 0 0 0 0 -0.57067 0 -0.29465 0.02839 3.1152 -0.18502 0 -2.28137 -1.09546 TYR_40 -6.46101 0.67365 3.25723 0.0284 0.1981 0.08072 -0.84895 0 0 0 0 -0.72028 0 0.05276 0.06806 1.78754 -0.09486 0.10905 0.21729 -1.65231 LYS_41 -4.23936 0.21196 2.39675 0.00872 0.11532 -0.06234 0.13762 0 0 0 0 0 0 -0.19901 0.00228 1.12319 -0.05863 0 -0.47142 -1.03492 LYS_42 -3.24372 0.21938 2.55973 0.00638 0.07407 -0.13307 0.11388 0 0 0 0 0 0 -0.27759 0.0349 0.99233 -0.05598 0 -0.47142 -0.18111 ARG:CtermProteinFull_43 -4.69509 0.25628 5.3816 0.01179 0.19461 0.30358 -2.2342 0 0 0 0 -1.31743 0 0 0 1.84544 0 0 -0.4 -0.65342 #END_POSE_ENERGIES_TABLE nods_bigger.blueprint.43_try163_pass_20151113121002_0001.pdb AlaCount 6 bb -0.0280492 buried_minus_exposed 3740.72 buried_np 5202.36 buried_over_exposed 3.55924 cavity_volume 36.0529 contact_all 264 contact_core_SASA 264 contact_core_SCN 264 degree 10.814 exposed_hydrophobics 1461.64 exposed_polars 1676.71 exposed_total 3138.35 fxn_exposed_is_np 0.465735 holes -1.76463 mismatch_probability 0.130668 pack 0.6964 percent_core_SASA 0.0697512 percent_core_SCN 0.0930016 res_count_core_SASA 3 res_count_core_SCN 4 sidechain_neighbors -94.3952 ss_sc 0.800141 unsat_hbond 3
HHH_rd3_0185.pdb
ATOM 1 N PRO A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA PRO A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C PRO A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O PRO A 1 1.316 2.365 -0.377 1.00 0.00 O ATOM 5 CB PRO A 1 1.803 -0.740 -1.297 1.00 0.00 C ATOM 6 CG PRO A 1 0.691 -0.387 -2.225 1.00 0.00 C ATOM 7 CD PRO A 1 -0.533 -0.359 -1.350 1.00 0.00 C ATOM 8 1H PRO A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 9 2H PRO A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 10 HA PRO A 1 1.820 -0.555 0.878 1.00 0.00 H ATOM 11 1HB PRO A 1 2.786 -0.414 -1.666 1.00 0.00 H ATOM 12 2HB PRO A 1 1.873 -1.821 -1.106 1.00 0.00 H ATOM 13 1HG PRO A 1 0.890 0.582 -2.705 1.00 0.00 H ATOM 14 2HG PRO A 1 0.619 -1.132 -3.031 1.00 0.00 H ATOM 15 1HD PRO A 1 -1.231 0.407 -1.718 1.00 0.00 H ATOM 16 2HD PRO A 1 -1.009 -1.351 -1.353 1.00 0.00 H ATOM 17 N GLN A 2 3.259 1.564 0.425 1.00 0.00 N ATOM 18 CA GLN A 2 3.900 2.872 0.492 1.00 0.00 C ATOM 19 C GLN A 2 4.007 3.505 -0.890 1.00 0.00 C ATOM 20 O GLN A 2 3.901 4.722 -1.036 1.00 0.00 O ATOM 21 CB GLN A 2 5.290 2.757 1.123 1.00 0.00 C ATOM 22 CG GLN A 2 5.964 4.091 1.392 1.00 0.00 C ATOM 23 CD GLN A 2 5.250 4.895 2.462 1.00 0.00 C ATOM 24 OE1 GLN A 2 4.889 4.367 3.517 1.00 0.00 O ATOM 25 NE2 GLN A 2 5.042 6.179 2.196 1.00 0.00 N ATOM 26 H GLN A 2 3.780 0.747 0.710 1.00 0.00 H ATOM 27 HA GLN A 2 3.296 3.521 1.128 1.00 0.00 H ATOM 28 1HB GLN A 2 5.217 2.220 2.068 1.00 0.00 H ATOM 29 2HB GLN A 2 5.940 2.178 0.467 1.00 0.00 H ATOM 30 1HG GLN A 2 6.986 3.910 1.725 1.00 0.00 H ATOM 31 2HG GLN A 2 5.970 4.676 0.472 1.00 0.00 H ATOM 32 1HE2 GLN A 2 4.576 6.760 2.864 1.00 0.00 H ATOM 33 2HE2 GLN A 2 5.352 6.567 1.327 1.00 0.00 H ATOM 34 N ARG A 3 4.217 2.670 -1.902 1.00 0.00 N ATOM 35 CA ARG A 3 4.279 3.139 -3.281 1.00 0.00 C ATOM 36 C ARG A 3 3.018 3.905 -3.660 1.00 0.00 C ATOM 37 O ARG A 3 3.089 5.007 -4.203 1.00 0.00 O ATOM 38 CB ARG A 3 4.464 1.969 -4.237 1.00 0.00 C ATOM 39 CG ARG A 3 4.604 2.355 -5.701 1.00 0.00 C ATOM 40 CD ARG A 3 4.604 1.161 -6.585 1.00 0.00 C ATOM 41 NE ARG A 3 3.319 0.481 -6.578 1.00 0.00 N ATOM 42 CZ ARG A 3 2.224 0.906 -7.237 1.00 0.00 C ATOM 43 NH1 ARG A 3 2.274 2.009 -7.950 1.00 0.00 N ATOM 44 NH2 ARG A 3 1.100 0.214 -7.167 1.00 0.00 N ATOM 45 H ARG A 3 4.337 1.686 -1.711 1.00 0.00 H ATOM 46 HA ARG A 3 5.136 3.805 -3.382 1.00 0.00 H ATOM 47 1HB ARG A 3 5.355 1.409 -3.957 1.00 0.00 H ATOM 48 2HB ARG A 3 3.613 1.293 -4.153 1.00 0.00 H ATOM 49 1HG ARG A 3 3.771 2.995 -5.989 1.00 0.00 H ATOM 50 2HG ARG A 3 5.542 2.891 -5.848 1.00 0.00 H ATOM 51 1HD ARG A 3 4.822 1.467 -7.608 1.00 0.00 H ATOM 52 2HD ARG A 3 5.364 0.458 -6.247 1.00 0.00 H ATOM 53 HE ARG A 3 3.242 -0.372 -6.040 1.00 0.00 H ATOM 54 1HH1 ARG A 3 3.133 2.538 -8.004 1.00 0.00 H ATOM 55 2HH1 ARG A 3 1.453 2.328 -8.444 1.00 0.00 H ATOM 56 1HH2 ARG A 3 1.062 -0.634 -6.619 1.00 0.00 H ATOM 57 2HH2 ARG A 3 0.280 0.533 -7.661 1.00 0.00 H ATOM 58 N ALA A 4 1.863 3.314 -3.370 1.00 0.00 N ATOM 59 CA ALA A 4 0.583 3.947 -3.664 1.00 0.00 C ATOM 60 C ALA A 4 0.430 5.259 -2.904 1.00 0.00 C ATOM 61 O ALA A 4 -0.061 6.248 -3.447 1.00 0.00 O ATOM 62 CB ALA A 4 -0.563 3.005 -3.329 1.00 0.00 C ATOM 63 H ALA A 4 1.873 2.403 -2.934 1.00 0.00 H ATOM 64 HA ALA A 4 0.538 4.156 -4.733 1.00 0.00 H ATOM 65 1HB ALA A 4 -1.512 3.492 -3.554 1.00 0.00 H ATOM 66 2HB ALA A 4 -0.473 2.096 -3.923 1.00 0.00 H ATOM 67 3HB ALA A 4 -0.528 2.751 -2.271 1.00 0.00 H ATOM 68 N GLU A 5 0.854 5.260 -1.644 1.00 0.00 N ATOM 69 CA GLU A 5 0.829 6.468 -0.829 1.00 0.00 C ATOM 70 C GLU A 5 1.650 7.581 -1.468 1.00 0.00 C ATOM 71 O GLU A 5 1.163 8.696 -1.653 1.00 0.00 O ATOM 72 CB GLU A 5 1.359 6.174 0.576 1.00 0.00 C ATOM 73 CG GLU A 5 1.426 7.389 1.490 1.00 0.00 C ATOM 74 CD GLU A 5 2.062 7.088 2.819 1.00 0.00 C ATOM 75 OE1 GLU A 5 1.708 6.099 3.415 1.00 0.00 O ATOM 76 OE2 GLU A 5 2.903 7.848 3.238 1.00 0.00 O ATOM 77 H GLU A 5 1.202 4.401 -1.242 1.00 0.00 H ATOM 78 HA GLU A 5 -0.205 6.803 -0.738 1.00 0.00 H ATOM 79 1HB GLU A 5 0.723 5.429 1.056 1.00 0.00 H ATOM 80 2HB GLU A 5 2.361 5.752 0.507 1.00 0.00 H ATOM 81 1HG GLU A 5 1.999 8.172 0.995 1.00 0.00 H ATOM 82 2HG GLU A 5 0.416 7.765 1.653 1.00 0.00 H ATOM 83 N ASP A 6 2.897 7.271 -1.805 1.00 0.00 N ATOM 84 CA ASP A 6 3.812 8.265 -2.354 1.00 0.00 C ATOM 85 C ASP A 6 3.329 8.769 -3.708 1.00 0.00 C ATOM 86 O ASP A 6 3.418 9.960 -4.005 1.00 0.00 O ATOM 87 CB ASP A 6 5.219 7.679 -2.493 1.00 0.00 C ATOM 88 CG ASP A 6 5.893 7.430 -1.150 1.00 0.00 C ATOM 89 OD1 ASP A 6 5.415 7.939 -0.164 1.00 0.00 O ATOM 90 OD2 ASP A 6 6.878 6.732 -1.124 1.00 0.00 O ATOM 91 H ASP A 6 3.220 6.323 -1.676 1.00 0.00 H ATOM 92 HA ASP A 6 3.862 9.108 -1.664 1.00 0.00 H ATOM 93 1HB ASP A 6 5.169 6.737 -3.039 1.00 0.00 H ATOM 94 2HB ASP A 6 5.841 8.361 -3.074 1.00 0.00 H ATOM 95 N TYR A 7 2.817 7.855 -4.525 1.00 0.00 N ATOM 96 CA TYR A 7 2.291 8.210 -5.838 1.00 0.00 C ATOM 97 C TYR A 7 1.033 9.060 -5.717 1.00 0.00 C ATOM 98 O TYR A 7 0.855 10.032 -6.450 1.00 0.00 O ATOM 99 CB TYR A 7 2.004 6.951 -6.659 1.00 0.00 C ATOM 100 CG TYR A 7 1.534 7.234 -8.068 1.00 0.00 C ATOM 101 CD1 TYR A 7 2.229 8.134 -8.864 1.00 0.00 C ATOM 102 CD2 TYR A 7 0.408 6.595 -8.565 1.00 0.00 C ATOM 103 CE1 TYR A 7 1.800 8.393 -10.151 1.00 0.00 C ATOM 104 CE2 TYR A 7 -0.021 6.854 -9.852 1.00 0.00 C ATOM 105 CZ TYR A 7 0.670 7.749 -10.644 1.00 0.00 C ATOM 106 OH TYR A 7 0.243 8.007 -11.926 1.00 0.00 O ATOM 107 H TYR A 7 2.791 6.890 -4.230 1.00 0.00 H ATOM 108 HA TYR A 7 3.050 8.784 -6.371 1.00 0.00 H ATOM 109 1HB TYR A 7 2.907 6.341 -6.717 1.00 0.00 H ATOM 110 2HB TYR A 7 1.240 6.357 -6.158 1.00 0.00 H ATOM 111 HD1 TYR A 7 3.114 8.636 -8.473 1.00 0.00 H ATOM 112 HD2 TYR A 7 -0.139 5.890 -7.940 1.00 0.00 H ATOM 113 HE1 TYR A 7 2.346 9.099 -10.776 1.00 0.00 H ATOM 114 HE2 TYR A 7 -0.907 6.353 -10.243 1.00 0.00 H ATOM 115 HH TYR A 7 0.838 8.635 -12.340 1.00 0.00 H ATOM 116 N ALA A 8 0.161 8.686 -4.786 1.00 0.00 N ATOM 117 CA ALA A 8 -1.022 9.482 -4.482 1.00 0.00 C ATOM 118 C ALA A 8 -0.647 10.915 -4.127 1.00 0.00 C ATOM 119 O ALA A 8 -1.278 11.865 -4.591 1.00 0.00 O ATOM 120 CB ALA A 8 -1.811 8.845 -3.347 1.00 0.00 C ATOM 121 H ALA A 8 0.323 7.830 -4.275 1.00 0.00 H ATOM 122 HA ALA A 8 -1.665 9.496 -5.363 1.00 0.00 H ATOM 123 1HB ALA A 8 -2.692 9.450 -3.131 1.00 0.00 H ATOM 124 2HB ALA A 8 -2.123 7.842 -3.638 1.00 0.00 H ATOM 125 3HB ALA A 8 -1.186 8.786 -2.458 1.00 0.00 H ATOM 126 N ARG A 9 0.383 11.064 -3.301 1.00 0.00 N ATOM 127 CA ARG A 9 0.878 12.382 -2.924 1.00 0.00 C ATOM 128 C ARG A 9 1.370 13.155 -4.140 1.00 0.00 C ATOM 129 O ARG A 9 1.043 14.329 -4.316 1.00 0.00 O ATOM 130 CB ARG A 9 2.008 12.261 -1.912 1.00 0.00 C ATOM 131 CG ARG A 9 2.470 13.577 -1.308 1.00 0.00 C ATOM 132 CD ARG A 9 3.481 13.367 -0.241 1.00 0.00 C ATOM 133 NE ARG A 9 2.957 12.566 0.854 1.00 0.00 N ATOM 134 CZ ARG A 9 3.334 11.302 1.126 1.00 0.00 C ATOM 135 NH1 ARG A 9 4.237 10.709 0.376 1.00 0.00 N ATOM 136 NH2 ARG A 9 2.796 10.657 2.146 1.00 0.00 N ATOM 137 H ARG A 9 0.836 10.243 -2.926 1.00 0.00 H ATOM 138 HA ARG A 9 0.061 12.939 -2.462 1.00 0.00 H ATOM 139 1HB ARG A 9 1.696 11.614 -1.094 1.00 0.00 H ATOM 140 2HB ARG A 9 2.872 11.795 -2.387 1.00 0.00 H ATOM 141 1HG ARG A 9 2.915 14.198 -2.085 1.00 0.00 H ATOM 142 2HG ARG A 9 1.616 14.098 -0.873 1.00 0.00 H ATOM 143 1HD ARG A 9 4.346 12.851 -0.656 1.00 0.00 H ATOM 144 2HD ARG A 9 3.792 14.331 0.161 1.00 0.00 H ATOM 145 HE ARG A 9 2.260 12.988 1.453 1.00 0.00 H ATOM 146 1HH1 ARG A 9 4.648 11.202 -0.404 1.00 0.00 H ATOM 147 2HH1 ARG A 9 4.519 9.762 0.580 1.00 0.00 H ATOM 148 1HH2 ARG A 9 2.102 11.112 2.723 1.00 0.00 H ATOM 149 2HH2 ARG A 9 3.079 9.710 2.350 1.00 0.00 H ATOM 150 N GLU A 10 2.157 12.490 -4.979 1.00 0.00 N ATOM 151 CA GLU A 10 2.623 13.084 -6.227 1.00 0.00 C ATOM 152 C GLU A 10 1.459 13.621 -7.049 1.00 0.00 C ATOM 153 O GLU A 10 1.488 14.762 -7.512 1.00 0.00 O ATOM 154 CB GLU A 10 3.407 12.056 -7.046 1.00 0.00 C ATOM 155 CG GLU A 10 3.926 12.579 -8.378 1.00 0.00 C ATOM 156 CD GLU A 10 4.677 11.538 -9.162 1.00 0.00 C ATOM 157 OE1 GLU A 10 4.894 10.471 -8.640 1.00 0.00 O ATOM 158 OE2 GLU A 10 5.035 11.812 -10.283 1.00 0.00 O ATOM 159 H GLU A 10 2.440 11.549 -4.746 1.00 0.00 H ATOM 160 HA GLU A 10 3.293 13.910 -5.988 1.00 0.00 H ATOM 161 1HB GLU A 10 4.263 11.707 -6.468 1.00 0.00 H ATOM 162 2HB GLU A 10 2.774 11.193 -7.249 1.00 0.00 H ATOM 163 1HG GLU A 10 3.082 12.926 -8.974 1.00 0.00 H ATOM 164 2HG GLU A 10 4.579 13.430 -8.193 1.00 0.00 H ATOM 165 N LEU A 11 0.434 12.794 -7.227 1.00 0.00 N ATOM 166 CA LEU A 11 -0.736 13.180 -8.006 1.00 0.00 C ATOM 167 C LEU A 11 -1.437 14.383 -7.389 1.00 0.00 C ATOM 168 O LEU A 11 -1.839 15.308 -8.093 1.00 0.00 O ATOM 169 CB LEU A 11 -1.716 12.004 -8.107 1.00 0.00 C ATOM 170 CG LEU A 11 -1.244 10.814 -8.952 1.00 0.00 C ATOM 171 CD1 LEU A 11 -2.173 9.630 -8.726 1.00 0.00 C ATOM 172 CD2 LEU A 11 -1.213 11.213 -10.419 1.00 0.00 C ATOM 173 H LEU A 11 0.467 11.874 -6.811 1.00 0.00 H ATOM 174 HA LEU A 11 -0.409 13.444 -9.013 1.00 0.00 H ATOM 175 1HB LEU A 11 -1.923 11.637 -7.103 1.00 0.00 H ATOM 176 2HB LEU A 11 -2.650 12.367 -8.538 1.00 0.00 H ATOM 177 HG LEU A 11 -0.243 10.518 -8.635 1.00 0.00 H ATOM 178 1HD1 LEU A 11 -1.837 8.784 -9.326 1.00 0.00 H ATOM 179 2HD1 LEU A 11 -2.161 9.353 -7.671 1.00 0.00 H ATOM 180 3HD1 LEU A 11 -3.187 9.902 -9.019 1.00 0.00 H ATOM 181 1HD2 LEU A 11 -0.876 10.367 -11.020 1.00 0.00 H ATOM 182 2HD2 LEU A 11 -2.213 11.508 -10.737 1.00 0.00 H ATOM 183 3HD2 LEU A 11 -0.527 12.050 -10.555 1.00 0.00 H ATOM 184 N LEU A 12 -1.581 14.363 -6.068 1.00 0.00 N ATOM 185 CA LEU A 12 -2.227 15.457 -5.352 1.00 0.00 C ATOM 186 C LEU A 12 -1.451 16.757 -5.517 1.00 0.00 C ATOM 187 O LEU A 12 -2.040 17.833 -5.622 1.00 0.00 O ATOM 188 CB LEU A 12 -2.351 15.114 -3.862 1.00 0.00 C ATOM 189 CG LEU A 12 -3.348 14.000 -3.516 1.00 0.00 C ATOM 190 CD1 LEU A 12 -3.163 13.586 -2.063 1.00 0.00 C ATOM 191 CD2 LEU A 12 -4.766 14.491 -3.769 1.00 0.00 C ATOM 192 H LEU A 12 -1.234 13.571 -5.547 1.00 0.00 H ATOM 193 HA LEU A 12 -3.229 15.593 -5.759 1.00 0.00 H ATOM 194 1HB LEU A 12 -1.373 14.809 -3.493 1.00 0.00 H ATOM 195 2HB LEU A 12 -2.656 16.011 -3.323 1.00 0.00 H ATOM 196 HG LEU A 12 -3.149 13.128 -4.139 1.00 0.00 H ATOM 197 1HD1 LEU A 12 -3.871 12.794 -1.817 1.00 0.00 H ATOM 198 2HD1 LEU A 12 -2.147 13.221 -1.915 1.00 0.00 H ATOM 199 3HD1 LEU A 12 -3.339 14.443 -1.415 1.00 0.00 H ATOM 200 1HD2 LEU A 12 -5.474 13.699 -3.524 1.00 0.00 H ATOM 201 2HD2 LEU A 12 -4.966 15.363 -3.145 1.00 0.00 H ATOM 202 3HD2 LEU A 12 -4.875 14.764 -4.819 1.00 0.00 H ATOM 203 N GLU A 13 -0.127 16.652 -5.539 1.00 0.00 N ATOM 204 CA GLU A 13 0.731 17.812 -5.749 1.00 0.00 C ATOM 205 C GLU A 13 0.591 18.350 -7.168 1.00 0.00 C ATOM 206 O GLU A 13 0.649 19.559 -7.392 1.00 0.00 O ATOM 207 CB GLU A 13 2.192 17.453 -5.471 1.00 0.00 C ATOM 208 CG GLU A 13 2.511 17.209 -4.003 1.00 0.00 C ATOM 209 CD GLU A 13 3.913 16.711 -3.784 1.00 0.00 C ATOM 210 OE1 GLU A 13 4.593 16.465 -4.751 1.00 0.00 O ATOM 211 OE2 GLU A 13 4.303 16.577 -2.648 1.00 0.00 O ATOM 212 H GLU A 13 0.297 15.745 -5.406 1.00 0.00 H ATOM 213 HA GLU A 13 0.434 18.593 -5.048 1.00 0.00 H ATOM 214 1HB GLU A 13 2.457 16.552 -6.025 1.00 0.00 H ATOM 215 2HB GLU A 13 2.838 18.257 -5.825 1.00 0.00 H ATOM 216 1HG GLU A 13 2.379 18.141 -3.454 1.00 0.00 H ATOM 217 2HG GLU A 13 1.805 16.482 -3.605 1.00 0.00 H ATOM 218 N ARG A 14 0.406 17.445 -8.123 1.00 0.00 N ATOM 219 CA ARG A 14 0.197 17.830 -9.513 1.00 0.00 C ATOM 220 C ARG A 14 -1.123 18.571 -9.687 1.00 0.00 C ATOM 221 O ARG A 14 -1.266 19.401 -10.584 1.00 0.00 O ATOM 222 CB ARG A 14 0.211 16.606 -10.416 1.00 0.00 C ATOM 223 CG ARG A 14 1.578 15.969 -10.610 1.00 0.00 C ATOM 224 CD ARG A 14 1.507 14.772 -11.486 1.00 0.00 C ATOM 225 NE ARG A 14 2.794 14.103 -11.595 1.00 0.00 N ATOM 226 CZ ARG A 14 3.761 14.441 -12.469 1.00 0.00 C ATOM 227 NH1 ARG A 14 3.573 15.441 -13.302 1.00 0.00 N ATOM 228 NH2 ARG A 14 4.899 13.769 -12.489 1.00 0.00 N ATOM 229 H ARG A 14 0.411 16.465 -7.879 1.00 0.00 H ATOM 230 HA ARG A 14 1.011 18.491 -9.816 1.00 0.00 H ATOM 231 1HB ARG A 14 -0.452 15.845 -10.006 1.00 0.00 H ATOM 232 2HB ARG A 14 -0.170 16.875 -11.401 1.00 0.00 H ATOM 233 1HG ARG A 14 2.253 16.691 -11.070 1.00 0.00 H ATOM 234 2HG ARG A 14 1.978 15.664 -9.643 1.00 0.00 H ATOM 235 1HD ARG A 14 0.788 14.064 -11.076 1.00 0.00 H ATOM 236 2HD ARG A 14 1.193 15.070 -12.485 1.00 0.00 H ATOM 237 HE ARG A 14 2.975 13.328 -10.970 1.00 0.00 H ATOM 238 1HH1 ARG A 14 2.704 15.955 -13.287 1.00 0.00 H ATOM 239 2HH1 ARG A 14 4.298 15.695 -13.958 1.00 0.00 H ATOM 240 1HH2 ARG A 14 5.043 13.000 -11.849 1.00 0.00 H ATOM 241 2HH2 ARG A 14 5.623 14.023 -13.144 1.00 0.00 H ATOM 242 N GLY A 15 -2.085 18.265 -8.824 1.00 0.00 N ATOM 243 CA GLY A 15 -3.376 18.942 -8.844 1.00 0.00 C ATOM 244 C GLY A 15 -4.499 17.976 -9.200 1.00 0.00 C ATOM 245 O GLY A 15 -5.578 18.392 -9.623 1.00 0.00 O ATOM 246 H GLY A 15 -1.918 17.545 -8.135 1.00 0.00 H ATOM 247 1HA GLY A 15 -3.570 19.386 -7.868 1.00 0.00 H ATOM 248 2HA GLY A 15 -3.349 19.756 -9.567 1.00 0.00 H ATOM 249 N VAL A 16 -4.239 16.685 -9.028 1.00 0.00 N ATOM 250 CA VAL A 16 -5.240 15.659 -9.294 1.00 0.00 C ATOM 251 C VAL A 16 -6.145 15.446 -8.087 1.00 0.00 C ATOM 252 O VAL A 16 -5.668 15.207 -6.977 1.00 0.00 O ATOM 253 CB VAL A 16 -4.558 14.328 -9.662 1.00 0.00 C ATOM 254 CG1 VAL A 16 -5.599 13.247 -9.912 1.00 0.00 C ATOM 255 CG2 VAL A 16 -3.675 14.520 -10.886 1.00 0.00 C ATOM 256 H VAL A 16 -3.324 16.406 -8.704 1.00 0.00 H ATOM 257 HA VAL A 16 -5.858 15.988 -10.131 1.00 0.00 H ATOM 258 HB VAL A 16 -3.948 13.999 -8.821 1.00 0.00 H ATOM 259 1HG1 VAL A 16 -5.098 12.313 -10.171 1.00 0.00 H ATOM 260 2HG1 VAL A 16 -6.195 13.101 -9.012 1.00 0.00 H ATOM 261 3HG1 VAL A 16 -6.247 13.550 -10.734 1.00 0.00 H ATOM 262 1HG2 VAL A 16 -3.195 13.576 -11.140 1.00 0.00 H ATOM 263 2HG2 VAL A 16 -4.284 14.856 -11.725 1.00 0.00 H ATOM 264 3HG2 VAL A 16 -2.912 15.268 -10.670 1.00 0.00 H ATOM 265 N ASP A 17 -7.451 15.533 -8.310 1.00 0.00 N ATOM 266 CA ASP A 17 -8.425 15.369 -7.237 1.00 0.00 C ATOM 267 C ASP A 17 -8.246 14.031 -6.531 1.00 0.00 C ATOM 268 O ASP A 17 -7.940 13.020 -7.164 1.00 0.00 O ATOM 269 CB ASP A 17 -9.850 15.477 -7.784 1.00 0.00 C ATOM 270 CG ASP A 17 -10.219 16.895 -8.201 1.00 0.00 C ATOM 271 OD1 ASP A 17 -9.487 17.799 -7.872 1.00 0.00 O ATOM 272 OD2 ASP A 17 -11.228 17.060 -8.843 1.00 0.00 O ATOM 273 H ASP A 17 -7.779 15.718 -9.247 1.00 0.00 H ATOM 274 HA ASP A 17 -8.267 16.159 -6.503 1.00 0.00 H ATOM 275 1HB ASP A 17 -9.960 14.820 -8.647 1.00 0.00 H ATOM 276 2HB ASP A 17 -10.558 15.141 -7.025 1.00 0.00 H ATOM 277 N PRO A 18 -8.438 14.030 -5.217 1.00 0.00 N ATOM 278 CA PRO A 18 -8.206 12.839 -4.409 1.00 0.00 C ATOM 279 C PRO A 18 -9.135 11.705 -4.820 1.00 0.00 C ATOM 280 O PRO A 18 -8.805 10.530 -4.661 1.00 0.00 O ATOM 281 CB PRO A 18 -8.503 13.324 -2.986 1.00 0.00 C ATOM 282 CG PRO A 18 -9.323 14.553 -3.183 1.00 0.00 C ATOM 283 CD PRO A 18 -8.752 15.191 -4.421 1.00 0.00 C ATOM 284 HA PRO A 18 -7.174 12.517 -4.555 1.00 0.00 H ATOM 285 1HB PRO A 18 -9.034 12.542 -2.425 1.00 0.00 H ATOM 286 2HB PRO A 18 -7.561 13.521 -2.452 1.00 0.00 H ATOM 287 1HG PRO A 18 -10.385 14.288 -3.294 1.00 0.00 H ATOM 288 2HG PRO A 18 -9.250 15.204 -2.299 1.00 0.00 H ATOM 289 1HD PRO A 18 -9.516 15.825 -4.894 1.00 0.00 H ATOM 290 2HD PRO A 18 -7.866 15.785 -4.153 1.00 0.00 H ATOM 291 N ASP A 19 -10.300 12.063 -5.351 1.00 0.00 N ATOM 292 CA ASP A 19 -11.233 11.079 -5.887 1.00 0.00 C ATOM 293 C ASP A 19 -10.690 10.442 -7.159 1.00 0.00 C ATOM 294 O ASP A 19 -10.862 9.245 -7.388 1.00 0.00 O ATOM 295 CB ASP A 19 -12.590 11.727 -6.172 1.00 0.00 C ATOM 296 CG ASP A 19 -13.353 12.086 -4.905 1.00 0.00 C ATOM 297 OD1 ASP A 19 -13.039 11.545 -3.871 1.00 0.00 O ATOM 298 OD2 ASP A 19 -14.244 12.899 -4.982 1.00 0.00 O ATOM 299 H ASP A 19 -10.545 13.042 -5.383 1.00 0.00 H ATOM 300 HA ASP A 19 -11.380 10.299 -5.140 1.00 0.00 H ATOM 301 1HB ASP A 19 -12.444 12.633 -6.760 1.00 0.00 H ATOM 302 2HB ASP A 19 -13.200 11.046 -6.766 1.00 0.00 H ATOM 303 N GLU A 20 -10.033 11.249 -7.986 1.00 0.00 N ATOM 304 CA GLU A 20 -9.430 10.757 -9.219 1.00 0.00 C ATOM 305 C GLU A 20 -8.165 9.959 -8.934 1.00 0.00 C ATOM 306 O GLU A 20 -7.851 9.001 -9.640 1.00 0.00 O ATOM 307 CB GLU A 20 -9.109 11.923 -10.157 1.00 0.00 C ATOM 308 CG GLU A 20 -10.330 12.677 -10.665 1.00 0.00 C ATOM 309 CD GLU A 20 -11.258 11.811 -11.471 1.00 0.00 C ATOM 310 OE1 GLU A 20 -10.789 11.127 -12.349 1.00 0.00 O ATOM 311 OE2 GLU A 20 -12.438 11.835 -11.210 1.00 0.00 O ATOM 312 H GLU A 20 -9.949 12.228 -7.753 1.00 0.00 H ATOM 313 HA GLU A 20 -10.149 10.107 -9.720 1.00 0.00 H ATOM 314 1HB GLU A 20 -8.465 12.637 -9.643 1.00 0.00 H ATOM 315 2HB GLU A 20 -8.561 11.552 -11.023 1.00 0.00 H ATOM 316 1HG GLU A 20 -10.876 13.079 -9.812 1.00 0.00 H ATOM 317 2HG GLU A 20 -9.998 13.514 -11.276 1.00 0.00 H ATOM 318 N VAL A 21 -7.441 10.359 -7.894 1.00 0.00 N ATOM 319 CA VAL A 21 -6.289 9.598 -7.424 1.00 0.00 C ATOM 320 C VAL A 21 -6.687 8.179 -7.039 1.00 0.00 C ATOM 321 O VAL A 21 -6.014 7.214 -7.403 1.00 0.00 O ATOM 322 CB VAL A 21 -5.647 10.295 -6.210 1.00 0.00 C ATOM 323 CG1 VAL A 21 -4.598 9.396 -5.573 1.00 0.00 C ATOM 324 CG2 VAL A 21 -5.034 11.619 -6.639 1.00 0.00 C ATOM 325 H VAL A 21 -7.695 11.212 -7.417 1.00 0.00 H ATOM 326 HA VAL A 21 -5.555 9.549 -8.229 1.00 0.00 H ATOM 327 HB VAL A 21 -6.415 10.476 -5.458 1.00 0.00 H ATOM 328 1HG1 VAL A 21 -4.155 9.905 -4.717 1.00 0.00 H ATOM 329 2HG1 VAL A 21 -5.066 8.469 -5.241 1.00 0.00 H ATOM 330 3HG1 VAL A 21 -3.821 9.170 -6.302 1.00 0.00 H ATOM 331 1HG2 VAL A 21 -4.582 12.107 -5.776 1.00 0.00 H ATOM 332 2HG2 VAL A 21 -4.270 11.439 -7.395 1.00 0.00 H ATOM 333 3HG2 VAL A 21 -5.810 12.263 -7.054 1.00 0.00 H ATOM 334 N ILE A 22 -7.785 8.057 -6.301 1.00 0.00 N ATOM 335 CA ILE A 22 -8.331 6.752 -5.949 1.00 0.00 C ATOM 336 C ILE A 22 -8.629 5.926 -7.193 1.00 0.00 C ATOM 337 O ILE A 22 -8.257 4.755 -7.277 1.00 0.00 O ATOM 338 CB ILE A 22 -9.614 6.901 -5.111 1.00 0.00 C ATOM 339 CG1 ILE A 22 -9.285 7.465 -3.726 1.00 0.00 C ATOM 340 CG2 ILE A 22 -10.327 5.563 -4.987 1.00 0.00 C ATOM 341 CD1 ILE A 22 -10.493 7.964 -2.967 1.00 0.00 C ATOM 342 H ILE A 22 -8.254 8.890 -5.975 1.00 0.00 H ATOM 343 HA ILE A 22 -7.595 6.220 -5.344 1.00 0.00 H ATOM 344 HB ILE A 22 -10.282 7.615 -5.592 1.00 0.00 H ATOM 345 1HG1 ILE A 22 -8.798 6.697 -3.126 1.00 0.00 H ATOM 346 2HG1 ILE A 22 -8.582 8.293 -3.828 1.00 0.00 H ATOM 347 1HG2 ILE A 22 -11.231 5.686 -4.392 1.00 0.00 H ATOM 348 2HG2 ILE A 22 -10.593 5.200 -5.979 1.00 0.00 H ATOM 349 3HG2 ILE A 22 -9.668 4.843 -4.502 1.00 0.00 H ATOM 350 1HD1 ILE A 22 -10.180 8.350 -1.997 1.00 0.00 H ATOM 351 2HD1 ILE A 22 -10.976 8.761 -3.535 1.00 0.00 H ATOM 352 3HD1 ILE A 22 -11.195 7.145 -2.822 1.00 0.00 H ATOM 353 N LYS A 23 -9.304 6.541 -8.158 1.00 0.00 N ATOM 354 CA LYS A 23 -9.619 5.877 -9.417 1.00 0.00 C ATOM 355 C LYS A 23 -8.359 5.359 -10.097 1.00 0.00 C ATOM 356 O LYS A 23 -8.326 4.232 -10.590 1.00 0.00 O ATOM 357 CB LYS A 23 -10.369 6.827 -10.351 1.00 0.00 C ATOM 358 CG LYS A 23 -11.784 7.166 -9.901 1.00 0.00 C ATOM 359 CD LYS A 23 -12.436 8.172 -10.839 1.00 0.00 C ATOM 360 CE LYS A 23 -13.781 8.638 -10.302 1.00 0.00 C ATOM 361 NZ LYS A 23 -14.392 9.686 -11.165 1.00 0.00 N ATOM 362 H LYS A 23 -9.607 7.495 -8.016 1.00 0.00 H ATOM 363 HA LYS A 23 -10.276 5.031 -9.207 1.00 0.00 H ATOM 364 1HB LYS A 23 -9.814 7.762 -10.442 1.00 0.00 H ATOM 365 2HB LYS A 23 -10.431 6.386 -11.346 1.00 0.00 H ATOM 366 1HG LYS A 23 -12.387 6.258 -9.880 1.00 0.00 H ATOM 367 2HG LYS A 23 -11.755 7.585 -8.896 1.00 0.00 H ATOM 368 1HD LYS A 23 -11.782 9.036 -10.958 1.00 0.00 H ATOM 369 2HD LYS A 23 -12.586 7.713 -11.816 1.00 0.00 H ATOM 370 1HE LYS A 23 -14.463 7.791 -10.243 1.00 0.00 H ATOM 371 2HE LYS A 23 -13.652 9.043 -9.298 1.00 0.00 H ATOM 372 1HZ LYS A 23 -15.280 9.968 -10.775 1.00 0.00 H ATOM 373 2HZ LYS A 23 -13.775 10.485 -11.212 1.00 0.00 H ATOM 374 3HZ LYS A 23 -14.534 9.316 -12.094 1.00 0.00 H ATOM 375 N ILE A 24 -7.322 6.190 -10.121 1.00 0.00 N ATOM 376 CA ILE A 24 -6.048 5.809 -10.720 1.00 0.00 C ATOM 377 C ILE A 24 -5.453 4.593 -10.021 1.00 0.00 C ATOM 378 O ILE A 24 -5.004 3.649 -10.671 1.00 0.00 O ATOM 379 CB ILE A 24 -5.045 6.975 -10.666 1.00 0.00 C ATOM 380 CG1 ILE A 24 -5.483 8.100 -11.608 1.00 0.00 C ATOM 381 CG2 ILE A 24 -3.647 6.492 -11.022 1.00 0.00 C ATOM 382 CD1 ILE A 24 -4.755 9.405 -11.379 1.00 0.00 C ATOM 383 H ILE A 24 -7.418 7.109 -9.714 1.00 0.00 H ATOM 384 HA ILE A 24 -6.219 5.560 -11.768 1.00 0.00 H ATOM 385 HB ILE A 24 -5.029 7.395 -9.660 1.00 0.00 H ATOM 386 1HG1 ILE A 24 -5.318 7.794 -12.640 1.00 0.00 H ATOM 387 2HG1 ILE A 24 -6.551 8.280 -11.487 1.00 0.00 H ATOM 388 1HG2 ILE A 24 -2.951 7.329 -10.980 1.00 0.00 H ATOM 389 2HG2 ILE A 24 -3.336 5.725 -10.314 1.00 0.00 H ATOM 390 3HG2 ILE A 24 -3.653 6.075 -12.029 1.00 0.00 H ATOM 391 1HD1 ILE A 24 -5.120 10.153 -12.084 1.00 0.00 H ATOM 392 2HD1 ILE A 24 -4.936 9.749 -10.360 1.00 0.00 H ATOM 393 3HD1 ILE A 24 -3.687 9.257 -11.529 1.00 0.00 H ATOM 394 N LEU A 25 -5.452 4.622 -8.692 1.00 0.00 N ATOM 395 CA LEU A 25 -4.903 3.527 -7.902 1.00 0.00 C ATOM 396 C LEU A 25 -5.705 2.248 -8.101 1.00 0.00 C ATOM 397 O LEU A 25 -5.151 1.149 -8.098 1.00 0.00 O ATOM 398 CB LEU A 25 -4.887 3.902 -6.415 1.00 0.00 C ATOM 399 CG LEU A 25 -3.945 5.048 -6.028 1.00 0.00 C ATOM 400 CD1 LEU A 25 -4.130 5.383 -4.554 1.00 0.00 C ATOM 401 CD2 LEU A 25 -2.507 4.645 -6.320 1.00 0.00 C ATOM 402 H LEU A 25 -5.842 5.424 -8.218 1.00 0.00 H ATOM 403 HA LEU A 25 -3.876 3.349 -8.224 1.00 0.00 H ATOM 404 1HB LEU A 25 -5.895 4.188 -6.118 1.00 0.00 H ATOM 405 2HB LEU A 25 -4.596 3.024 -5.838 1.00 0.00 H ATOM 406 HG LEU A 25 -4.197 5.938 -6.606 1.00 0.00 H ATOM 407 1HD1 LEU A 25 -3.460 6.198 -4.278 1.00 0.00 H ATOM 408 2HD1 LEU A 25 -5.162 5.687 -4.376 1.00 0.00 H ATOM 409 3HD1 LEU A 25 -3.901 4.505 -3.950 1.00 0.00 H ATOM 410 1HD2 LEU A 25 -1.837 5.460 -6.046 1.00 0.00 H ATOM 411 2HD2 LEU A 25 -2.254 3.756 -5.742 1.00 0.00 H ATOM 412 3HD2 LEU A 25 -2.399 4.428 -7.383 1.00 0.00 H ATOM 413 N GLN A 26 -7.014 2.397 -8.275 1.00 0.00 N ATOM 414 CA GLN A 26 -7.882 1.264 -8.570 1.00 0.00 C ATOM 415 C GLN A 26 -7.516 0.621 -9.901 1.00 0.00 C ATOM 416 O GLN A 26 -7.556 -0.601 -10.044 1.00 0.00 O ATOM 417 CB GLN A 26 -9.349 1.702 -8.587 1.00 0.00 C ATOM 418 CG GLN A 26 -9.921 2.019 -7.215 1.00 0.00 C ATOM 419 CD GLN A 26 -11.321 2.595 -7.291 1.00 0.00 C ATOM 420 OE1 GLN A 26 -11.794 2.976 -8.365 1.00 0.00 O ATOM 421 NE2 GLN A 26 -11.995 2.664 -6.148 1.00 0.00 N ATOM 422 H GLN A 26 -7.418 3.320 -8.200 1.00 0.00 H ATOM 423 HA GLN A 26 -7.764 0.522 -7.779 1.00 0.00 H ATOM 424 1HB GLN A 26 -9.456 2.591 -9.209 1.00 0.00 H ATOM 425 2HB GLN A 26 -9.959 0.916 -9.032 1.00 0.00 H ATOM 426 1HG GLN A 26 -9.960 1.101 -6.629 1.00 0.00 H ATOM 427 2HG GLN A 26 -9.276 2.748 -6.724 1.00 0.00 H ATOM 428 1HE2 GLN A 26 -12.924 3.035 -6.136 1.00 0.00 H ATOM 429 2HE2 GLN A 26 -11.574 2.344 -5.299 1.00 0.00 H ATOM 430 N LYS A 27 -7.159 1.452 -10.875 1.00 0.00 N ATOM 431 CA LYS A 27 -6.708 0.963 -12.172 1.00 0.00 C ATOM 432 C LYS A 27 -5.418 0.165 -12.042 1.00 0.00 C ATOM 433 O LYS A 27 -5.123 -0.697 -12.871 1.00 0.00 O ATOM 434 CB LYS A 27 -6.511 2.127 -13.145 1.00 0.00 C ATOM 435 CG LYS A 27 -7.803 2.798 -13.592 1.00 0.00 C ATOM 436 CD LYS A 27 -7.523 3.983 -14.505 1.00 0.00 C ATOM 437 CE LYS A 27 -8.811 4.668 -14.935 1.00 0.00 C ATOM 438 NZ LYS A 27 -8.551 5.843 -15.811 1.00 0.00 N ATOM 439 H LYS A 27 -7.201 2.448 -10.712 1.00 0.00 H ATOM 440 HA LYS A 27 -7.481 0.313 -12.585 1.00 0.00 H ATOM 441 1HB LYS A 27 -5.883 2.887 -12.680 1.00 0.00 H ATOM 442 2HB LYS A 27 -5.992 1.773 -14.036 1.00 0.00 H ATOM 443 1HG LYS A 27 -8.422 2.077 -14.127 1.00 0.00 H ATOM 444 2HG LYS A 27 -8.354 3.146 -12.719 1.00 0.00 H ATOM 445 1HD LYS A 27 -6.894 4.704 -13.982 1.00 0.00 H ATOM 446 2HD LYS A 27 -6.991 3.640 -15.393 1.00 0.00 H ATOM 447 1HE LYS A 27 -9.437 3.959 -15.475 1.00 0.00 H ATOM 448 2HE LYS A 27 -9.357 5.003 -14.053 1.00 0.00 H ATOM 449 1HZ LYS A 27 -9.429 6.269 -16.073 1.00 0.00 H ATOM 450 2HZ LYS A 27 -7.986 6.516 -15.313 1.00 0.00 H ATOM 451 3HZ LYS A 27 -8.062 5.542 -16.642 1.00 0.00 H ATOM 452 N GLU A 28 -4.650 0.456 -10.998 1.00 0.00 N ATOM 453 CA GLU A 28 -3.415 -0.270 -10.727 1.00 0.00 C ATOM 454 C GLU A 28 -3.697 -1.595 -10.029 1.00 0.00 C ATOM 455 O GLU A 28 -2.787 -2.389 -9.794 1.00 0.00 O ATOM 456 CB GLU A 28 -2.474 0.579 -9.870 1.00 0.00 C ATOM 457 CG GLU A 28 -1.983 1.851 -10.546 1.00 0.00 C ATOM 458 CD GLU A 28 -0.990 2.611 -9.712 1.00 0.00 C ATOM 459 OE1 GLU A 28 -0.440 2.035 -8.805 1.00 0.00 O ATOM 460 OE2 GLU A 28 -0.781 3.770 -9.983 1.00 0.00 O ATOM 461 H GLU A 28 -4.929 1.201 -10.375 1.00 0.00 H ATOM 462 HA GLU A 28 -2.929 -0.491 -11.678 1.00 0.00 H ATOM 463 1HB GLU A 28 -2.980 0.864 -8.947 1.00 0.00 H ATOM 464 2HB GLU A 28 -1.600 -0.013 -9.595 1.00 0.00 H ATOM 465 1HG GLU A 28 -1.517 1.588 -11.496 1.00 0.00 H ATOM 466 2HG GLU A 28 -2.838 2.490 -10.758 1.00 0.00 H ATOM 467 N GLY A 29 -4.964 -1.827 -9.700 1.00 0.00 N ATOM 468 CA GLY A 29 -5.371 -3.064 -9.046 1.00 0.00 C ATOM 469 C GLY A 29 -5.370 -2.912 -7.530 1.00 0.00 C ATOM 470 O GLY A 29 -5.260 -3.895 -6.798 1.00 0.00 O ATOM 471 H GLY A 29 -5.662 -1.128 -9.909 1.00 0.00 H ATOM 472 1HA GLY A 29 -6.368 -3.345 -9.386 1.00 0.00 H ATOM 473 2HA GLY A 29 -4.695 -3.868 -9.334 1.00 0.00 H ATOM 474 N ILE A 30 -5.493 -1.673 -7.065 1.00 0.00 N ATOM 475 CA ILE A 30 -5.528 -1.391 -5.635 1.00 0.00 C ATOM 476 C ILE A 30 -6.955 -1.168 -5.152 1.00 0.00 C ATOM 477 O ILE A 30 -7.694 -0.365 -5.721 1.00 0.00 O ATOM 478 CB ILE A 30 -4.672 -0.157 -5.297 1.00 0.00 C ATOM 479 CG1 ILE A 30 -3.215 -0.390 -5.705 1.00 0.00 C ATOM 480 CG2 ILE A 30 -4.767 0.166 -3.814 1.00 0.00 C ATOM 481 CD1 ILE A 30 -2.374 0.866 -5.710 1.00 0.00 C ATOM 482 H ILE A 30 -5.564 -0.907 -7.719 1.00 0.00 H ATOM 483 HA ILE A 30 -5.119 -2.250 -5.104 1.00 0.00 H ATOM 484 HB ILE A 30 -5.026 0.699 -5.870 1.00 0.00 H ATOM 485 1HG1 ILE A 30 -2.756 -1.106 -5.024 1.00 0.00 H ATOM 486 2HG1 ILE A 30 -3.182 -0.824 -6.705 1.00 0.00 H ATOM 487 1HG2 ILE A 30 -4.156 1.041 -3.593 1.00 0.00 H ATOM 488 2HG2 ILE A 30 -5.804 0.373 -3.553 1.00 0.00 H ATOM 489 3HG2 ILE A 30 -4.409 -0.683 -3.232 1.00 0.00 H ATOM 490 1HD1 ILE A 30 -1.354 0.621 -6.010 1.00 0.00 H ATOM 491 2HD1 ILE A 30 -2.796 1.584 -6.413 1.00 0.00 H ATOM 492 3HD1 ILE A 30 -2.363 1.300 -4.711 1.00 0.00 H ATOM 493 N SER A 31 -7.337 -1.883 -4.100 1.00 0.00 N ATOM 494 CA SER A 31 -8.700 -1.821 -3.584 1.00 0.00 C ATOM 495 C SER A 31 -9.079 -0.396 -3.203 1.00 0.00 C ATOM 496 O SER A 31 -8.214 0.433 -2.921 1.00 0.00 O ATOM 497 CB SER A 31 -8.845 -2.732 -2.381 1.00 0.00 C ATOM 498 OG SER A 31 -8.118 -2.241 -1.289 1.00 0.00 O ATOM 499 H SER A 31 -6.666 -2.486 -3.645 1.00 0.00 H ATOM 500 HA SER A 31 -9.381 -2.159 -4.366 1.00 0.00 H ATOM 501 1HB SER A 31 -9.898 -2.815 -2.113 1.00 0.00 H ATOM 502 2HB SER A 31 -8.493 -3.730 -2.636 1.00 0.00 H ATOM 503 HG SER A 31 -7.249 -2.645 -1.345 1.00 0.00 H ATOM 504 N GLU A 32 -10.378 -0.117 -3.196 1.00 0.00 N ATOM 505 CA GLU A 32 -10.877 1.201 -2.822 1.00 0.00 C ATOM 506 C GLU A 32 -10.398 1.596 -1.431 1.00 0.00 C ATOM 507 O GLU A 32 -9.914 2.709 -1.223 1.00 0.00 O ATOM 508 CB GLU A 32 -12.406 1.227 -2.872 1.00 0.00 C ATOM 509 CG GLU A 32 -13.024 2.570 -2.508 1.00 0.00 C ATOM 510 CD GLU A 32 -14.526 2.558 -2.569 1.00 0.00 C ATOM 511 OE1 GLU A 32 -15.073 1.614 -3.087 1.00 0.00 O ATOM 512 OE2 GLU A 32 -15.127 3.494 -2.096 1.00 0.00 O ATOM 513 H GLU A 32 -11.037 -0.836 -3.457 1.00 0.00 H ATOM 514 HA GLU A 32 -10.502 1.931 -3.541 1.00 0.00 H ATOM 515 1HB GLU A 32 -12.742 0.965 -3.875 1.00 0.00 H ATOM 516 2HB GLU A 32 -12.805 0.479 -2.187 1.00 0.00 H ATOM 517 1HG GLU A 32 -12.715 2.839 -1.498 1.00 0.00 H ATOM 518 2HG GLU A 32 -12.644 3.330 -3.189 1.00 0.00 H ATOM 519 N GLU A 33 -10.535 0.678 -0.480 1.00 0.00 N ATOM 520 CA GLU A 33 -10.100 0.923 0.890 1.00 0.00 C ATOM 521 C GLU A 33 -8.637 1.345 0.936 1.00 0.00 C ATOM 522 O GLU A 33 -8.297 2.374 1.520 1.00 0.00 O ATOM 523 CB GLU A 33 -10.307 -0.329 1.747 1.00 0.00 C ATOM 524 CG GLU A 33 -9.916 -0.162 3.208 1.00 0.00 C ATOM 525 CD GLU A 33 -10.171 -1.396 4.027 1.00 0.00 C ATOM 526 OE1 GLU A 33 -10.654 -2.359 3.480 1.00 0.00 O ATOM 527 OE2 GLU A 33 -9.884 -1.376 5.200 1.00 0.00 O ATOM 528 H GLU A 33 -10.951 -0.212 -0.713 1.00 0.00 H ATOM 529 HA GLU A 33 -10.709 1.725 1.309 1.00 0.00 H ATOM 530 1HB GLU A 33 -11.356 -0.623 1.713 1.00 0.00 H ATOM 531 2HB GLU A 33 -9.722 -1.152 1.336 1.00 0.00 H ATOM 532 1HG GLU A 33 -8.856 0.084 3.264 1.00 0.00 H ATOM 533 2HG GLU A 33 -10.476 0.671 3.630 1.00 0.00 H ATOM 534 N GLU A 34 -7.776 0.545 0.318 1.00 0.00 N ATOM 535 CA GLU A 34 -6.344 0.819 0.313 1.00 0.00 C ATOM 536 C GLU A 34 -6.033 2.116 -0.424 1.00 0.00 C ATOM 537 O GLU A 34 -5.165 2.884 -0.010 1.00 0.00 O ATOM 538 CB GLU A 34 -5.581 -0.340 -0.332 1.00 0.00 C ATOM 539 CG GLU A 34 -5.521 -1.603 0.517 1.00 0.00 C ATOM 540 CD GLU A 34 -4.962 -2.783 -0.228 1.00 0.00 C ATOM 541 OE1 GLU A 34 -5.515 -3.138 -1.241 1.00 0.00 O ATOM 542 OE2 GLU A 34 -3.980 -3.329 0.216 1.00 0.00 O ATOM 543 H GLU A 34 -8.121 -0.274 -0.162 1.00 0.00 H ATOM 544 HA GLU A 34 -6.006 0.915 1.345 1.00 0.00 H ATOM 545 1HB GLU A 34 -6.047 -0.599 -1.283 1.00 0.00 H ATOM 546 2HB GLU A 34 -4.557 -0.030 -0.542 1.00 0.00 H ATOM 547 1HG GLU A 34 -4.899 -1.411 1.391 1.00 0.00 H ATOM 548 2HG GLU A 34 -6.525 -1.841 0.865 1.00 0.00 H ATOM 549 N ALA A 35 -6.748 2.354 -1.519 1.00 0.00 N ATOM 550 CA ALA A 35 -6.558 3.564 -2.310 1.00 0.00 C ATOM 551 C ALA A 35 -6.899 4.809 -1.502 1.00 0.00 C ATOM 552 O ALA A 35 -6.198 5.818 -1.573 1.00 0.00 O ATOM 553 CB ALA A 35 -7.400 3.507 -3.576 1.00 0.00 C ATOM 554 H ALA A 35 -7.441 1.679 -1.810 1.00 0.00 H ATOM 555 HA ALA A 35 -5.511 3.619 -2.612 1.00 0.00 H ATOM 556 1HB ALA A 35 -7.247 4.417 -4.156 1.00 0.00 H ATOM 557 2HB ALA A 35 -7.104 2.643 -4.171 1.00 0.00 H ATOM 558 3HB ALA A 35 -8.452 3.419 -3.309 1.00 0.00 H ATOM 559 N ARG A 36 -7.981 4.732 -0.734 1.00 0.00 N ATOM 560 CA ARG A 36 -8.385 5.833 0.132 1.00 0.00 C ATOM 561 C ARG A 36 -7.350 6.086 1.221 1.00 0.00 C ATOM 562 O ARG A 36 -7.027 7.233 1.529 1.00 0.00 O ATOM 563 CB ARG A 36 -9.732 5.540 0.776 1.00 0.00 C ATOM 564 CG ARG A 36 -10.925 5.642 -0.162 1.00 0.00 C ATOM 565 CD ARG A 36 -12.204 5.378 0.546 1.00 0.00 C ATOM 566 NE ARG A 36 -13.343 5.429 -0.356 1.00 0.00 N ATOM 567 CZ ARG A 36 -13.939 6.563 -0.774 1.00 0.00 C ATOM 568 NH1 ARG A 36 -13.493 7.729 -0.363 1.00 0.00 N ATOM 569 NH2 ARG A 36 -14.971 6.502 -1.597 1.00 0.00 N ATOM 570 H ARG A 36 -8.537 3.889 -0.751 1.00 0.00 H ATOM 571 HA ARG A 36 -8.482 6.733 -0.475 1.00 0.00 H ATOM 572 1HB ARG A 36 -9.725 4.534 1.192 1.00 0.00 H ATOM 573 2HB ARG A 36 -9.900 6.234 1.600 1.00 0.00 H ATOM 574 1HG ARG A 36 -10.969 6.644 -0.588 1.00 0.00 H ATOM 575 2HG ARG A 36 -10.820 4.911 -0.964 1.00 0.00 H ATOM 576 1HD ARG A 36 -12.172 4.388 0.999 1.00 0.00 H ATOM 577 2HD ARG A 36 -12.351 6.128 1.322 1.00 0.00 H ATOM 578 HE ARG A 36 -13.714 4.551 -0.694 1.00 0.00 H ATOM 579 1HH1 ARG A 36 -12.704 7.775 0.266 1.00 0.00 H ATOM 580 2HH1 ARG A 36 -13.940 8.579 -0.676 1.00 0.00 H ATOM 581 1HH2 ARG A 36 -15.314 5.605 -1.913 1.00 0.00 H ATOM 582 2HH2 ARG A 36 -15.418 7.352 -1.910 1.00 0.00 H ATOM 583 N ARG A 37 -6.833 5.008 1.801 1.00 0.00 N ATOM 584 CA ARG A 37 -5.801 5.111 2.826 1.00 0.00 C ATOM 585 C ARG A 37 -4.541 5.768 2.276 1.00 0.00 C ATOM 586 O ARG A 37 -3.903 6.573 2.954 1.00 0.00 O ATOM 587 CB ARG A 37 -5.453 3.735 3.374 1.00 0.00 C ATOM 588 CG ARG A 37 -6.533 3.096 4.232 1.00 0.00 C ATOM 589 CD ARG A 37 -6.114 1.767 4.745 1.00 0.00 C ATOM 590 NE ARG A 37 -7.213 1.059 5.382 1.00 0.00 N ATOM 591 CZ ARG A 37 -7.613 1.254 6.654 1.00 0.00 C ATOM 592 NH1 ARG A 37 -6.997 2.134 7.410 1.00 0.00 N ATOM 593 NH2 ARG A 37 -8.626 0.558 7.141 1.00 0.00 N ATOM 594 H ARG A 37 -7.162 4.095 1.524 1.00 0.00 H ATOM 595 HA ARG A 37 -6.185 5.721 3.644 1.00 0.00 H ATOM 596 1HB ARG A 37 -5.244 3.056 2.548 1.00 0.00 H ATOM 597 2HB ARG A 37 -4.548 3.802 3.979 1.00 0.00 H ATOM 598 1HG ARG A 37 -6.749 3.741 5.085 1.00 0.00 H ATOM 599 2HG ARG A 37 -7.439 2.964 3.639 1.00 0.00 H ATOM 600 1HD ARG A 37 -5.748 1.157 3.920 1.00 0.00 H ATOM 601 2HD ARG A 37 -5.320 1.895 5.480 1.00 0.00 H ATOM 602 HE ARG A 37 -7.712 0.373 4.831 1.00 0.00 H ATOM 603 1HH1 ARG A 37 -6.222 2.666 7.037 1.00 0.00 H ATOM 604 2HH1 ARG A 37 -7.297 2.280 8.363 1.00 0.00 H ATOM 605 1HH2 ARG A 37 -9.101 -0.119 6.559 1.00 0.00 H ATOM 606 2HH2 ARG A 37 -8.926 0.704 8.093 1.00 0.00 H ATOM 607 N ALA A 38 -4.188 5.420 1.043 1.00 0.00 N ATOM 608 CA ALA A 38 -3.044 6.027 0.373 1.00 0.00 C ATOM 609 C ALA A 38 -3.196 7.540 0.287 1.00 0.00 C ATOM 610 O ALA A 38 -2.255 8.285 0.561 1.00 0.00 O ATOM 611 CB ALA A 38 -2.867 5.433 -1.016 1.00 0.00 C ATOM 612 H ALA A 38 -4.726 4.716 0.558 1.00 0.00 H ATOM 613 HA ALA A 38 -2.145 5.798 0.947 1.00 0.00 H ATOM 614 1HB ALA A 38 -2.010 5.897 -1.504 1.00 0.00 H ATOM 615 2HB ALA A 38 -2.701 4.359 -0.935 1.00 0.00 H ATOM 616 3HB ALA A 38 -3.763 5.618 -1.607 1.00 0.00 H ATOM 617 N VAL A 39 -4.387 7.989 -0.095 1.00 0.00 N ATOM 618 CA VAL A 39 -4.668 9.416 -0.207 1.00 0.00 C ATOM 619 C VAL A 39 -4.633 10.093 1.157 1.00 0.00 C ATOM 620 O VAL A 39 -4.062 11.172 1.310 1.00 0.00 O ATOM 621 CB VAL A 39 -6.049 9.639 -0.853 1.00 0.00 C ATOM 622 CG1 VAL A 39 -6.439 11.108 -0.781 1.00 0.00 C ATOM 623 CG2 VAL A 39 -6.031 9.155 -2.294 1.00 0.00 C ATOM 624 H VAL A 39 -5.116 7.326 -0.314 1.00 0.00 H ATOM 625 HA VAL A 39 -3.907 9.870 -0.842 1.00 0.00 H ATOM 626 HB VAL A 39 -6.797 9.080 -0.290 1.00 0.00 H ATOM 627 1HG1 VAL A 39 -7.417 11.248 -1.242 1.00 0.00 H ATOM 628 2HG1 VAL A 39 -6.481 11.423 0.261 1.00 0.00 H ATOM 629 3HG1 VAL A 39 -5.699 11.707 -1.313 1.00 0.00 H ATOM 630 1HG2 VAL A 39 -7.010 9.316 -2.744 1.00 0.00 H ATOM 631 2HG2 VAL A 39 -5.278 9.710 -2.855 1.00 0.00 H ATOM 632 3HG2 VAL A 39 -5.790 8.092 -2.319 1.00 0.00 H ATOM 633 N LYS A 40 -5.247 9.452 2.146 1.00 0.00 N ATOM 634 CA LYS A 40 -5.298 9.997 3.497 1.00 0.00 C ATOM 635 C LYS A 40 -3.897 10.194 4.064 1.00 0.00 C ATOM 636 O LYS A 40 -3.618 11.197 4.721 1.00 0.00 O ATOM 637 CB LYS A 40 -6.113 9.083 4.414 1.00 0.00 C ATOM 638 CG LYS A 40 -7.612 9.100 4.147 1.00 0.00 C ATOM 639 CD LYS A 40 -8.345 8.124 5.054 1.00 0.00 C ATOM 640 CE LYS A 40 -9.841 8.121 4.771 1.00 0.00 C ATOM 641 NZ LYS A 40 -10.570 7.163 5.646 1.00 0.00 N ATOM 642 H LYS A 40 -5.691 8.565 1.957 1.00 0.00 H ATOM 643 HA LYS A 40 -5.799 10.965 3.462 1.00 0.00 H ATOM 644 1HB LYS A 40 -5.765 8.056 4.305 1.00 0.00 H ATOM 645 2HB LYS A 40 -5.954 9.375 5.452 1.00 0.00 H ATOM 646 1HG LYS A 40 -8.001 10.105 4.318 1.00 0.00 H ATOM 647 2HG LYS A 40 -7.800 8.829 3.108 1.00 0.00 H ATOM 648 1HD LYS A 40 -7.953 7.118 4.899 1.00 0.00 H ATOM 649 2HD LYS A 40 -8.183 8.402 6.095 1.00 0.00 H ATOM 650 1HE LYS A 40 -10.243 9.120 4.933 1.00 0.00 H ATOM 651 2HE LYS A 40 -10.014 7.847 3.731 1.00 0.00 H ATOM 652 1HZ LYS A 40 -11.556 7.191 5.427 1.00 0.00 H ATOM 653 2HZ LYS A 40 -10.218 6.229 5.491 1.00 0.00 H ATOM 654 3HZ LYS A 40 -10.433 7.418 6.613 1.00 0.00 H ATOM 655 N LYS A 41 -3.020 9.230 3.806 1.00 0.00 N ATOM 656 CA LYS A 41 -1.639 9.307 4.270 1.00 0.00 C ATOM 657 C LYS A 41 -0.806 10.210 3.370 1.00 0.00 C ATOM 658 O LYS A 41 0.194 10.784 3.804 1.00 0.00 O ATOM 659 CB LYS A 41 -1.018 7.911 4.335 1.00 0.00 C ATOM 660 CG LYS A 41 -1.605 7.011 5.414 1.00 0.00 C ATOM 661 CD LYS A 41 -0.948 5.639 5.407 1.00 0.00 C ATOM 662 CE LYS A 41 -1.527 4.741 6.490 1.00 0.00 C ATOM 663 NZ LYS A 41 -0.899 3.392 6.490 1.00 0.00 N ATOM 664 H LYS A 41 -3.316 8.424 3.275 1.00 0.00 H ATOM 665 HA LYS A 41 -1.636 9.720 5.279 1.00 0.00 H ATOM 666 1HB LYS A 41 -1.146 7.410 3.375 1.00 0.00 H ATOM 667 2HB LYS A 41 0.054 7.998 4.518 1.00 0.00 H ATOM 668 1HG LYS A 41 -1.456 7.471 6.392 1.00 0.00 H ATOM 669 2HG LYS A 41 -2.675 6.893 5.247 1.00 0.00 H ATOM 670 1HD LYS A 41 -1.100 5.167 4.436 1.00 0.00 H ATOM 671 2HD LYS A 41 0.124 5.748 5.575 1.00 0.00 H ATOM 672 1HE LYS A 41 -1.372 5.201 7.465 1.00 0.00 H ATOM 673 2HE LYS A 41 -2.600 4.628 6.333 1.00 0.00 H ATOM 674 1HZ LYS A 41 -1.310 2.829 7.221 1.00 0.00 H ATOM 675 2HZ LYS A 41 -1.053 2.948 5.596 1.00 0.00 H ATOM 676 3HZ LYS A 41 0.093 3.483 6.654 1.00 0.00 H ATOM 677 N ALA A 42 -1.222 10.333 2.114 1.00 0.00 N ATOM 678 CA ALA A 42 -0.568 11.236 1.175 1.00 0.00 C ATOM 679 C ALA A 42 -0.709 12.687 1.618 1.00 0.00 C ATOM 680 O ALA A 42 0.251 13.456 1.571 1.00 0.00 O ATOM 681 CB ALA A 42 -1.141 11.052 -0.223 1.00 0.00 C ATOM 682 H ALA A 42 -2.012 9.786 1.802 1.00 0.00 H ATOM 683 HA ALA A 42 0.492 10.985 1.133 1.00 0.00 H ATOM 684 1HB ALA A 42 -0.643 11.734 -0.913 1.00 0.00 H ATOM 685 2HB ALA A 42 -0.981 10.025 -0.550 1.00 0.00 H ATOM 686 3HB ALA A 42 -2.208 11.266 -0.210 1.00 0.00 H ATOM 687 N LYS A 43 -1.911 13.055 2.047 1.00 0.00 N ATOM 688 CA LYS A 43 -2.177 14.413 2.508 1.00 0.00 C ATOM 689 C LYS A 43 -1.423 14.715 3.797 1.00 0.00 C ATOM 690 O LYS A 43 -1.166 13.819 4.602 1.00 0.00 O ATOM 691 OXT LYS A 43 -1.071 15.836 4.037 1.00 0.00 O ATOM 692 CB LYS A 43 -3.678 14.623 2.716 1.00 0.00 C ATOM 693 CG LYS A 43 -4.498 14.615 1.432 1.00 0.00 C ATOM 694 CD LYS A 43 -5.971 14.864 1.717 1.00 0.00 C ATOM 695 CE LYS A 43 -6.785 14.899 0.431 1.00 0.00 C ATOM 696 NZ LYS A 43 -8.230 15.137 0.694 1.00 0.00 N ATOM 697 H LYS A 43 -2.660 12.378 2.055 1.00 0.00 H ATOM 698 HA LYS A 43 -1.842 15.125 1.755 1.00 0.00 H ATOM 699 1HB LYS A 43 -4.068 13.841 3.367 1.00 0.00 H ATOM 700 2HB LYS A 43 -3.846 15.579 3.214 1.00 0.00 H ATOM 701 1HG LYS A 43 -4.130 15.392 0.760 1.00 0.00 H ATOM 702 2HG LYS A 43 -4.389 13.650 0.938 1.00 0.00 H ATOM 703 1HD LYS A 43 -6.357 14.071 2.359 1.00 0.00 H ATOM 704 2HD LYS A 43 -6.087 15.816 2.234 1.00 0.00 H ATOM 705 1HE LYS A 43 -6.411 15.692 -0.214 1.00 0.00 H ATOM 706 2HE LYS A 43 -6.677 13.950 -0.094 1.00 0.00 H ATOM 707 1HZ LYS A 43 -8.734 15.153 -0.181 1.00 0.00 H ATOM 708 2HZ LYS A 43 -8.594 14.397 1.278 1.00 0.00 H ATOM 709 3HZ LYS A 43 -8.346 16.024 1.165 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE nods_bigger.blueprint.34_try109_pass_20151109130353_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_intra_sol_xover4 lk_ball_wtd fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 rama omega fa_dun p_aa_pp yhh_planarity ref total weights 1 0.55 1 0.005 1 1 1 1.25 1.17 1.17 1.17 1.1 1.25 0.25 0.625 0.7 0.4 0.625 1 NA pose -214.855 20.209 116.286 0.42842 6.78495 1.25715 -33.7914 0.53964 -26.821 -2.19838 -2.94013 -11.727 0 -6.89119 2.1297 55.0365 -6.74819 0.00017 -4.89478 -108.196 PRO:NtermProteinFull_1 -2.59157 0.17309 1.35275 0.00501 0.06653 -0.03691 0.00419 0.1614 0 0 0 0 0 0 0.00443 0.13999 0 0 -0.97642 -1.69752 GLN_2 -3.96958 0.26938 3.83875 0.0097 0.60249 -0.16547 -0.92545 0 0 0 0 -0.68119 0 -0.2117 0.04879 2.51627 -0.16684 0 -1.60738 -0.44223 ARG_3 -3.84667 0.23901 3.62593 0.02142 0.61482 0.21812 -1.74186 0 0 0 0 -0.76659 0 -0.00571 0.00407 1.67815 -0.11935 0 -0.4 -0.47867 ALA_4 -4.85451 0.46338 1.41461 0.00082 0 -0.06933 -0.07329 0 0 0 0 0 0 -0.21502 0.0655 0 -0.232 0 1.56209 -1.93773 GLU_5 -7.84633 0.52044 6.18742 0.0088 0.25143 -0.35451 -1.75367 0 0 0 0 -0.84245 0 -0.07687 0.07911 3.31893 -0.1419 0 -2.28137 -2.93097 ASP_6 -5.0564 0.15723 5.1279 0.00351 0.23973 -0.03949 -1.9058 0 0 0 0 -0.90606 0 -0.16805 0.01227 1.63966 0.05161 0 -2.00354 -2.84744 TYR_7 -6.39878 0.50938 2.99244 0.02954 0.22331 -0.05361 -0.66055 0 0 0 0 0 0 -0.13698 0.20835 2.87536 0.10629 0.00017 0.21729 -0.08779 ALA_8 -5.76868 0.58875 1.18173 0.00081 0 0 -0.44658 0 0 0 0 0 0 -0.11609 0.03889 0 -0.19556 0 1.56209 -3.15463 ARG_9 -7.62313 0.8212 6.41729 0.02503 0.59213 0.12859 -3.01344 0 0 0 -0.856 -1.06732 0 -0.14865 0.11063 2.55208 -0.08995 0 -0.4 -2.55155 GLU_10 -5.48507 0.35332 4.72463 0.00987 0.26685 0.21116 -1.84682 0 0 0 0 -0.54042 0 -0.06209 0.00279 2.62284 -0.10988 0 -2.28137 -2.1342 LEU_11 -8.34214 0.84401 1.09183 0.01207 0.02658 -0.0301 -0.76465 0 0 0 0 0 0 -0.11125 0.00095 0.51729 -0.15113 0 1.68043 -5.22611 LEU_12 -6.17665 0.5139 1.29053 0.01234 0.02874 -0.00355 -0.14768 0 0 0 0 0 0 -0.1485 0.04519 0.31662 -0.15124 0 1.68043 -2.73986 GLU_13 -3.35298 0.30763 2.90668 0.00698 0.22169 -0.16192 -0.17382 0 0 0 0 0 0 -0.31719 0.04979 2.67748 -0.19667 0 -2.28137 -0.31369 ARG_14 -3.63556 0.24355 2.85058 0.01444 0.22977 0.32514 -1.31364 0 0 0 0 -0.54042 0 -0.30714 0.04493 1.89794 -0.11101 0 -0.4 -0.70142 GLY_15 -1.52048 0.13881 1.40823 3e-05 0 -0.01437 0.21852 0 0 0 0 0 0 0.12135 0.02026 0 -0.97604 0 0.8121 0.2084 VAL_16 -4.74933 0.43226 0.42707 0.01588 0.02037 0.00114 0.01149 0 0 0 0 0 0 -0.30956 0.00506 0.06691 -0.23634 0 2.2876 -2.02746 ASP_17 -3.53606 0.8618 2.21198 0.0036 0.21707 -0.03841 -0.4741 0.03688 0 0 0 0 0 -0.20647 0.12282 1.8417 0.1241 0 -2.00354 -0.83862 PRO_18 -4.38122 0.6478 1.57064 0.00224 0.02516 0.04806 -0.30166 0.34136 0 0 0 0 0 -0.18047 0.16481 0.6812 -0.21607 0 -0.97642 -2.57459 ASP_19 -3.46574 0.29508 2.36037 0.00355 0.23946 -0.05476 -0.32393 0 0 0 0 0 0 -0.19775 0.02014 1.67929 0.00646 0 -2.00354 -1.44139 GLU_20 -5.5148 0.40409 3.96523 0.00659 0.64343 0.06497 -1.54634 0 0 0 0 -0.6403 0 -0.26752 0.28765 2.87808 -0.21789 0 -2.28137 -2.21818 VAL_21 -7.54085 1.16249 0.462 0.01974 0.02488 -0.00105 -0.44454 0 0 0 0 0 0 0.03683 0.13613 0.00299 -0.00874 0 2.2876 -3.86251 ILE_22 -7.26203 0.82092 2.23188 0.02775 0.03477 -0.17427 -0.53171 0 0 0 0 0 0 0.06919 0.0222 0.16353 -0.06404 0 2.27849 -2.3833 LYS_23 -5.74229 0.39721 4.681 0.00651 0.07509 0.01615 -1.85717 0 0 0 0 -0.6403 0 -0.16491 0.0078 1.26364 -0.05294 0 -0.47142 -2.48162 ILE_24 -5.9748 0.66087 1.94271 0.02825 0.03509 0.00464 -0.36137 0 0 0 0 0 0 -0.00215 0.00141 0.15049 -0.10735 0 2.27849 -1.34373 LEU_25 -8.36182 0.78594 1.23236 0.0146 0.03025 -0.09886 -0.63054 0 0 0 0 0 0 -0.16556 0.1218 0.23256 -0.15246 0 1.68043 -5.31129 GLN_26 -5.64001 0.73352 3.97024 0.00659 0.16644 -0.11133 -0.56039 0 0 0 0 0 0 -0.19647 0.08761 2.50126 -0.16853 0 -1.60738 -0.81848 LYS_27 -2.90387 0.43361 2.19316 0.00649 0.07892 -0.01301 -0.05196 0 0 0 0 0 0 -0.31403 0.0386 0.90074 -0.05434 0 -0.47142 -0.15712 GLU_28 -4.67683 0.41643 3.84122 0.00729 0.25647 0.29852 -2.01538 0 0 0 0 -0.76659 0 -0.26217 0.00511 2.87265 -0.09542 0 -2.28137 -2.40006 GLY_29 -1.43474 0.21975 1.35156 3e-05 0 -0.00085 -0.00423 0 0 0 0 0 0 -0.3035 0.00616 0 -0.99447 0 0.8121 -0.34818 ILE_30 -5.91666 0.89553 1.12361 0.02412 0.03499 -0.12524 -0.01605 0 0 0 0 0 0 -0.30327 0.07766 0.36937 -0.40851 0 2.27849 -1.96595 SER_31 -3.64863 0.31702 3.36157 0.00148 0.05692 0.19197 -1.55507 0 0 0 -0.61407 -0.61548 0 -0.19348 0.01094 0.37218 -0.17227 0 0.5 -1.98691 GLU_32 -4.08822 0.23582 3.27877 0.00947 0.26903 0.43338 -1.51927 0 0 0 0 -0.86131 0 -0.14637 0.00422 2.72813 -0.12259 0 -2.28137 -2.06033 GLU_33 -3.85843 0.2725 3.39498 0.00911 0.24979 0.30964 -1.34415 0 0 0 0 -0.69088 0 -0.02666 0.01203 2.53579 -0.13437 0 -2.28137 -1.55202 GLU_34 -4.91355 0.30849 3.7353 0.0043 0.21416 0.16376 -1.57052 0 0 0 -0.61407 -0.61548 0 -0.306 0.00179 3.60161 -0.15501 0 -2.28137 -2.42659 ALA_35 -5.60894 0.45187 1.28632 0.00082 0 -0.00238 -0.42754 0 0 0 0 0 0 -0.20838 0.04347 0 -0.22205 0 1.56209 -3.12472 ARG_36 -6.21598 0.51623 4.18879 0.01476 0.23046 0.23942 -1.79869 0 0 0 0 -0.86131 0 -0.23761 0.02676 2.11254 -0.10381 0 -0.4 -2.28844 ARG_37 -5.22496 0.27879 4.18924 0.01454 0.22733 0.31341 -1.42985 0 0 0 0 -0.69088 0 -0.25129 0.06695 2.09968 -0.10387 0 -0.4 -0.91091 ALA_38 -5.1812 0.44553 1.56418 0.0008 0 -0.00347 -0.39799 0 0 0 0 0 0 -0.132 0.00173 0 -0.19129 0 1.56209 -2.33162 VAL_39 -6.28775 0.65071 0.99758 0.01937 0.02501 -0.04653 -0.26484 0 0 0 0 0 0 -0.03742 0.0021 0.01147 -0.06161 0 2.2876 -2.70432 LYS_40 -3.68532 0.18811 2.5284 0.0063 0.07216 -0.02682 0.01696 0 0 0 0 0 0 -0.24251 0.00778 1.04484 -0.06249 0 -0.47142 -0.62402 LYS_41 -4.17277 0.25858 3.48534 0.00646 0.07844 -0.14477 -0.44222 0 0 0 -0.34733 0 0 -0.28102 0.10989 0.87927 -0.09626 0 -0.47142 -1.13781 ALA_42 -5.11473 0.86852 2.00544 0.0008 0 0.04133 0.07884 0 0 0 -0.50866 0 0 -0.15674 0.00116 0 -0.1924 0 1.56209 -1.41436 LYS:CtermProteinFull_43 -3.28494 0.1065 2.29359 0.00661 0.11521 0.01877 0.51536 0 0 0 0 0 0 0 0 1.29392 0 0 -0.47142 0.59359 #END_POSE_ENERGIES_TABLE nods_bigger.blueprint.34_try109_pass_20151109130353_0001.pdb AlaCount 5 bb -0.0511133 buried_minus_exposed 3731.06 buried_np 5252.53 buried_over_exposed 3.45226 cavity_volume 12.7423 contact_all 216 contact_core_SASA 216 contact_core_SCN 216 degree 10.4419 exposed_hydrophobics 1521.47 exposed_polars 1500.62 exposed_total 3022.09 fxn_exposed_is_np 0.503448 holes -1.76737 mismatch_probability 0.124005 pack 0.68304 percent_core_SASA 0.116252 percent_core_SCN 0.0930016 res_count_core_SASA 5 res_count_core_SCN 4 sidechain_neighbors -91.6103 ss_sc 0.796176 unsat_hbond 3
HHH_rd3_0224.pdb
ATOM 1 N GLU A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA GLU A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C GLU A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O GLU A 1 1.821 2.169 -0.959 1.00 0.00 O ATOM 5 CB GLU A 1 1.991 -0.764 -1.214 1.00 0.00 C ATOM 6 CG GLU A 1 3.507 -0.900 -1.255 1.00 0.00 C ATOM 7 CD GLU A 1 3.997 -1.611 -2.485 1.00 0.00 C ATOM 8 OE1 GLU A 1 3.199 -1.884 -3.349 1.00 0.00 O ATOM 9 OE2 GLU A 1 5.173 -1.882 -2.562 1.00 0.00 O ATOM 10 1H GLU A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 11 2H GLU A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 12 3H GLU A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 13 HA GLU A 1 1.804 -0.492 0.910 1.00 0.00 H ATOM 14 1HB GLU A 1 1.565 -1.768 -1.228 1.00 0.00 H ATOM 15 2HB GLU A 1 1.676 -0.261 -2.128 1.00 0.00 H ATOM 16 1HG GLU A 1 3.952 0.094 -1.222 1.00 0.00 H ATOM 17 2HG GLU A 1 3.836 -1.445 -0.371 1.00 0.00 H ATOM 18 N PRO A 2 2.690 1.785 1.081 1.00 0.00 N ATOM 19 CA PRO A 2 3.266 3.118 1.209 1.00 0.00 C ATOM 20 C PRO A 2 4.136 3.461 0.007 1.00 0.00 C ATOM 21 O PRO A 2 4.162 4.605 -0.447 1.00 0.00 O ATOM 22 CB PRO A 2 4.095 3.013 2.494 1.00 0.00 C ATOM 23 CG PRO A 2 3.370 2.002 3.314 1.00 0.00 C ATOM 24 CD PRO A 2 2.903 0.975 2.317 1.00 0.00 C ATOM 25 HA PRO A 2 2.453 3.842 1.270 1.00 0.00 H ATOM 26 1HB PRO A 2 5.124 2.710 2.254 1.00 0.00 H ATOM 27 2HB PRO A 2 4.155 3.996 2.984 1.00 0.00 H ATOM 28 1HG PRO A 2 4.042 1.578 4.075 1.00 0.00 H ATOM 29 2HG PRO A 2 2.538 2.476 3.855 1.00 0.00 H ATOM 30 1HD PRO A 2 3.688 0.217 2.175 1.00 0.00 H ATOM 31 2HD PRO A 2 1.974 0.509 2.677 1.00 0.00 H ATOM 32 N GLU A 3 4.847 2.463 -0.506 1.00 0.00 N ATOM 33 CA GLU A 3 5.783 2.674 -1.605 1.00 0.00 C ATOM 34 C GLU A 3 5.047 2.958 -2.908 1.00 0.00 C ATOM 35 O GLU A 3 5.511 3.743 -3.735 1.00 0.00 O ATOM 36 CB GLU A 3 6.689 1.452 -1.775 1.00 0.00 C ATOM 37 CG GLU A 3 7.636 1.205 -0.610 1.00 0.00 C ATOM 38 CD GLU A 3 8.577 2.352 -0.366 1.00 0.00 C ATOM 39 OE1 GLU A 3 9.190 2.802 -1.304 1.00 0.00 O ATOM 40 OE2 GLU A 3 8.682 2.779 0.759 1.00 0.00 O ATOM 41 H GLU A 3 4.737 1.534 -0.126 1.00 0.00 H ATOM 42 HA GLU A 3 6.412 3.531 -1.363 1.00 0.00 H ATOM 43 1HB GLU A 3 6.077 0.560 -1.904 1.00 0.00 H ATOM 44 2HB GLU A 3 7.291 1.569 -2.677 1.00 0.00 H ATOM 45 1HG GLU A 3 7.049 1.033 0.292 1.00 0.00 H ATOM 46 2HG GLU A 3 8.214 0.303 -0.811 1.00 0.00 H ATOM 47 N ALA A 4 3.897 2.317 -3.085 1.00 0.00 N ATOM 48 CA ALA A 4 3.035 2.590 -4.228 1.00 0.00 C ATOM 49 C ALA A 4 2.525 4.025 -4.203 1.00 0.00 C ATOM 50 O ALA A 4 2.468 4.692 -5.236 1.00 0.00 O ATOM 51 CB ALA A 4 1.868 1.615 -4.257 1.00 0.00 C ATOM 52 H ALA A 4 3.613 1.621 -2.409 1.00 0.00 H ATOM 53 HA ALA A 4 3.613 2.441 -5.141 1.00 0.00 H ATOM 54 1HB ALA A 4 1.233 1.832 -5.116 1.00 0.00 H ATOM 55 2HB ALA A 4 2.247 0.596 -4.334 1.00 0.00 H ATOM 56 3HB ALA A 4 1.286 1.717 -3.342 1.00 0.00 H ATOM 57 N ARG A 5 2.156 4.496 -3.016 1.00 0.00 N ATOM 58 CA ARG A 5 1.745 5.883 -2.836 1.00 0.00 C ATOM 59 C ARG A 5 2.854 6.843 -3.247 1.00 0.00 C ATOM 60 O ARG A 5 2.606 7.841 -3.924 1.00 0.00 O ATOM 61 CB ARG A 5 1.363 6.144 -1.387 1.00 0.00 C ATOM 62 CG ARG A 5 0.062 5.496 -0.942 1.00 0.00 C ATOM 63 CD ARG A 5 -0.159 5.655 0.519 1.00 0.00 C ATOM 64 NE ARG A 5 -1.471 5.175 0.924 1.00 0.00 N ATOM 65 CZ ARG A 5 -1.783 4.760 2.167 1.00 0.00 C ATOM 66 NH1 ARG A 5 -0.870 4.773 3.113 1.00 0.00 N ATOM 67 NH2 ARG A 5 -3.007 4.340 2.436 1.00 0.00 N ATOM 68 H ARG A 5 2.160 3.876 -2.219 1.00 0.00 H ATOM 69 HA ARG A 5 0.872 6.070 -3.462 1.00 0.00 H ATOM 70 1HB ARG A 5 2.154 5.781 -0.731 1.00 0.00 H ATOM 71 2HB ARG A 5 1.270 7.218 -1.223 1.00 0.00 H ATOM 72 1HG ARG A 5 -0.774 5.958 -1.467 1.00 0.00 H ATOM 73 2HG ARG A 5 0.090 4.430 -1.170 1.00 0.00 H ATOM 74 1HD ARG A 5 0.595 5.089 1.065 1.00 0.00 H ATOM 75 2HD ARG A 5 -0.085 6.709 0.785 1.00 0.00 H ATOM 76 HE ARG A 5 -2.199 5.150 0.223 1.00 0.00 H ATOM 77 1HH1 ARG A 5 0.066 5.094 2.908 1.00 0.00 H ATOM 78 2HH1 ARG A 5 -1.104 4.463 4.045 1.00 0.00 H ATOM 79 1HH2 ARG A 5 -3.709 4.330 1.708 1.00 0.00 H ATOM 80 2HH2 ARG A 5 -3.241 4.030 3.367 1.00 0.00 H ATOM 81 N LYS A 6 4.079 6.536 -2.833 1.00 0.00 N ATOM 82 CA LYS A 6 5.237 7.343 -3.201 1.00 0.00 C ATOM 83 C LYS A 6 5.389 7.431 -4.714 1.00 0.00 C ATOM 84 O LYS A 6 5.626 8.508 -5.262 1.00 0.00 O ATOM 85 CB LYS A 6 6.510 6.770 -2.576 1.00 0.00 C ATOM 86 CG LYS A 6 6.589 6.917 -1.063 1.00 0.00 C ATOM 87 CD LYS A 6 7.832 6.238 -0.506 1.00 0.00 C ATOM 88 CE LYS A 6 7.854 6.283 1.015 1.00 0.00 C ATOM 89 NZ LYS A 6 9.013 5.538 1.576 1.00 0.00 N ATOM 90 H LYS A 6 4.212 5.723 -2.250 1.00 0.00 H ATOM 91 HA LYS A 6 5.097 8.350 -2.804 1.00 0.00 H ATOM 92 1HB LYS A 6 6.585 5.708 -2.814 1.00 0.00 H ATOM 93 2HB LYS A 6 7.381 7.264 -3.007 1.00 0.00 H ATOM 94 1HG LYS A 6 6.615 7.975 -0.801 1.00 0.00 H ATOM 95 2HG LYS A 6 5.706 6.470 -0.607 1.00 0.00 H ATOM 96 1HD LYS A 6 7.855 5.197 -0.831 1.00 0.00 H ATOM 97 2HD LYS A 6 8.722 6.739 -0.888 1.00 0.00 H ATOM 98 1HE LYS A 6 7.907 7.319 1.347 1.00 0.00 H ATOM 99 2HE LYS A 6 6.935 5.846 1.405 1.00 0.00 H ATOM 100 1HZ LYS A 6 8.992 5.592 2.585 1.00 0.00 H ATOM 101 2HZ LYS A 6 8.964 4.571 1.290 1.00 0.00 H ATOM 102 3HZ LYS A 6 9.873 5.946 1.237 1.00 0.00 H ATOM 103 N ILE A 7 5.251 6.293 -5.384 1.00 0.00 N ATOM 104 CA ILE A 7 5.360 6.241 -6.837 1.00 0.00 C ATOM 105 C ILE A 7 4.331 7.149 -7.499 1.00 0.00 C ATOM 106 O ILE A 7 4.661 7.930 -8.391 1.00 0.00 O ATOM 107 CB ILE A 7 5.180 4.801 -7.351 1.00 0.00 C ATOM 108 CG1 ILE A 7 6.371 3.933 -6.934 1.00 0.00 C ATOM 109 CG2 ILE A 7 5.015 4.792 -8.863 1.00 0.00 C ATOM 110 CD1 ILE A 7 6.144 2.451 -7.129 1.00 0.00 C ATOM 111 H ILE A 7 5.067 5.441 -4.874 1.00 0.00 H ATOM 112 HA ILE A 7 6.358 6.578 -7.122 1.00 0.00 H ATOM 113 HB ILE A 7 4.294 4.360 -6.896 1.00 0.00 H ATOM 114 1HG1 ILE A 7 7.250 4.222 -7.508 1.00 0.00 H ATOM 115 2HG1 ILE A 7 6.597 4.107 -5.882 1.00 0.00 H ATOM 116 1HG2 ILE A 7 4.890 3.766 -9.209 1.00 0.00 H ATOM 117 2HG2 ILE A 7 4.138 5.377 -9.136 1.00 0.00 H ATOM 118 3HG2 ILE A 7 5.900 5.227 -9.328 1.00 0.00 H ATOM 119 1HD1 ILE A 7 7.030 1.902 -6.810 1.00 0.00 H ATOM 120 2HD1 ILE A 7 5.287 2.133 -6.534 1.00 0.00 H ATOM 121 3HD1 ILE A 7 5.950 2.248 -8.181 1.00 0.00 H ATOM 122 N VAL A 8 3.083 7.041 -7.057 1.00 0.00 N ATOM 123 CA VAL A 8 2.005 7.860 -7.598 1.00 0.00 C ATOM 124 C VAL A 8 2.342 9.343 -7.509 1.00 0.00 C ATOM 125 O VAL A 8 2.285 10.063 -8.505 1.00 0.00 O ATOM 126 CB VAL A 8 0.694 7.588 -6.837 1.00 0.00 C ATOM 127 CG1 VAL A 8 -0.374 8.595 -7.239 1.00 0.00 C ATOM 128 CG2 VAL A 8 0.224 6.167 -7.107 1.00 0.00 C ATOM 129 H VAL A 8 2.875 6.375 -6.327 1.00 0.00 H ATOM 130 HA VAL A 8 1.863 7.597 -8.647 1.00 0.00 H ATOM 131 HB VAL A 8 0.870 7.717 -5.769 1.00 0.00 H ATOM 132 1HG1 VAL A 8 -1.294 8.388 -6.692 1.00 0.00 H ATOM 133 2HG1 VAL A 8 -0.031 9.602 -7.004 1.00 0.00 H ATOM 134 3HG1 VAL A 8 -0.564 8.515 -8.310 1.00 0.00 H ATOM 135 1HG2 VAL A 8 -0.703 5.981 -6.565 1.00 0.00 H ATOM 136 2HG2 VAL A 8 0.053 6.037 -8.176 1.00 0.00 H ATOM 137 3HG2 VAL A 8 0.986 5.462 -6.773 1.00 0.00 H ATOM 138 N GLU A 9 2.693 9.794 -6.309 1.00 0.00 N ATOM 139 CA GLU A 9 2.909 11.214 -6.057 1.00 0.00 C ATOM 140 C GLU A 9 4.092 11.741 -6.859 1.00 0.00 C ATOM 141 O GLU A 9 4.041 12.843 -7.407 1.00 0.00 O ATOM 142 CB GLU A 9 3.141 11.461 -4.565 1.00 0.00 C ATOM 143 CG GLU A 9 1.913 11.240 -3.693 1.00 0.00 C ATOM 144 CD GLU A 9 2.188 11.457 -2.231 1.00 0.00 C ATOM 145 OE1 GLU A 9 3.304 11.776 -1.896 1.00 0.00 O ATOM 146 OE2 GLU A 9 1.281 11.302 -1.447 1.00 0.00 O ATOM 147 H GLU A 9 2.813 9.136 -5.552 1.00 0.00 H ATOM 148 HA GLU A 9 2.013 11.759 -6.356 1.00 0.00 H ATOM 149 1HB GLU A 9 3.930 10.801 -4.205 1.00 0.00 H ATOM 150 2HB GLU A 9 3.478 12.487 -4.415 1.00 0.00 H ATOM 151 1HG GLU A 9 1.128 11.927 -4.009 1.00 0.00 H ATOM 152 2HG GLU A 9 1.552 10.224 -3.843 1.00 0.00 H ATOM 153 N LYS A 10 5.156 10.949 -6.925 1.00 0.00 N ATOM 154 CA LYS A 10 6.356 11.337 -7.657 1.00 0.00 C ATOM 155 C LYS A 10 6.072 11.476 -9.147 1.00 0.00 C ATOM 156 O LYS A 10 6.505 12.436 -9.784 1.00 0.00 O ATOM 157 CB LYS A 10 7.476 10.320 -7.428 1.00 0.00 C ATOM 158 CG LYS A 10 8.090 10.363 -6.035 1.00 0.00 C ATOM 159 CD LYS A 10 9.155 9.291 -5.867 1.00 0.00 C ATOM 160 CE LYS A 10 9.749 9.313 -4.466 1.00 0.00 C ATOM 161 NZ LYS A 10 10.788 8.263 -4.285 1.00 0.00 N ATOM 162 H LYS A 10 5.134 10.055 -6.456 1.00 0.00 H ATOM 163 HA LYS A 10 6.699 12.299 -7.275 1.00 0.00 H ATOM 164 1HB LYS A 10 7.092 9.313 -7.593 1.00 0.00 H ATOM 165 2HB LYS A 10 8.274 10.489 -8.151 1.00 0.00 H ATOM 166 1HG LYS A 10 8.541 11.342 -5.866 1.00 0.00 H ATOM 167 2HG LYS A 10 7.311 10.209 -5.289 1.00 0.00 H ATOM 168 1HD LYS A 10 8.716 8.309 -6.051 1.00 0.00 H ATOM 169 2HD LYS A 10 9.953 9.454 -6.591 1.00 0.00 H ATOM 170 1HE LYS A 10 10.197 10.287 -4.276 1.00 0.00 H ATOM 171 2HE LYS A 10 8.958 9.153 -3.733 1.00 0.00 H ATOM 172 1HZ LYS A 10 11.155 8.311 -3.345 1.00 0.00 H ATOM 173 2HZ LYS A 10 10.378 7.353 -4.440 1.00 0.00 H ATOM 174 3HZ LYS A 10 11.536 8.412 -4.946 1.00 0.00 H ATOM 175 N LEU A 11 5.341 10.513 -9.697 1.00 0.00 N ATOM 176 CA LEU A 11 4.964 10.546 -11.105 1.00 0.00 C ATOM 177 C LEU A 11 4.112 11.770 -11.418 1.00 0.00 C ATOM 178 O LEU A 11 4.285 12.410 -12.455 1.00 0.00 O ATOM 179 CB LEU A 11 4.197 9.272 -11.479 1.00 0.00 C ATOM 180 CG LEU A 11 5.033 7.988 -11.547 1.00 0.00 C ATOM 181 CD1 LEU A 11 4.110 6.788 -11.707 1.00 0.00 C ATOM 182 CD2 LEU A 11 6.014 8.081 -12.706 1.00 0.00 C ATOM 183 H LEU A 11 5.039 9.737 -9.125 1.00 0.00 H ATOM 184 HA LEU A 11 5.873 10.591 -11.706 1.00 0.00 H ATOM 185 1HB LEU A 11 3.407 9.114 -10.746 1.00 0.00 H ATOM 186 2HB LEU A 11 3.734 9.418 -12.455 1.00 0.00 H ATOM 187 HG LEU A 11 5.584 7.862 -10.614 1.00 0.00 H ATOM 188 1HD1 LEU A 11 4.704 5.875 -11.755 1.00 0.00 H ATOM 189 2HD1 LEU A 11 3.432 6.734 -10.855 1.00 0.00 H ATOM 190 3HD1 LEU A 11 3.532 6.893 -12.624 1.00 0.00 H ATOM 191 1HD2 LEU A 11 6.609 7.169 -12.754 1.00 0.00 H ATOM 192 2HD2 LEU A 11 5.464 8.205 -13.639 1.00 0.00 H ATOM 193 3HD2 LEU A 11 6.673 8.937 -12.557 1.00 0.00 H ATOM 194 N ILE A 12 3.191 12.089 -10.515 1.00 0.00 N ATOM 195 CA ILE A 12 2.364 13.283 -10.653 1.00 0.00 C ATOM 196 C ILE A 12 3.210 14.548 -10.595 1.00 0.00 C ATOM 197 O ILE A 12 2.990 15.489 -11.358 1.00 0.00 O ATOM 198 CB ILE A 12 1.287 13.334 -9.554 1.00 0.00 C ATOM 199 CG1 ILE A 12 0.252 12.227 -9.769 1.00 0.00 C ATOM 200 CG2 ILE A 12 0.615 14.699 -9.532 1.00 0.00 C ATOM 201 CD1 ILE A 12 -0.679 12.025 -8.595 1.00 0.00 C ATOM 202 H ILE A 12 3.060 11.490 -9.712 1.00 0.00 H ATOM 203 HA ILE A 12 1.859 13.244 -11.618 1.00 0.00 H ATOM 204 HB ILE A 12 1.747 13.151 -8.584 1.00 0.00 H ATOM 205 1HG1 ILE A 12 -0.351 12.458 -10.647 1.00 0.00 H ATOM 206 2HG1 ILE A 12 0.763 11.284 -9.963 1.00 0.00 H ATOM 207 1HG2 ILE A 12 -0.144 14.718 -8.751 1.00 0.00 H ATOM 208 2HG2 ILE A 12 1.360 15.468 -9.333 1.00 0.00 H ATOM 209 3HG2 ILE A 12 0.146 14.889 -10.498 1.00 0.00 H ATOM 210 1HD1 ILE A 12 -1.383 11.224 -8.822 1.00 0.00 H ATOM 211 2HD1 ILE A 12 -0.098 11.758 -7.711 1.00 0.00 H ATOM 212 3HD1 ILE A 12 -1.228 12.946 -8.404 1.00 0.00 H ATOM 213 N ASN A 13 4.179 14.565 -9.686 1.00 0.00 N ATOM 214 CA ASN A 13 5.084 15.701 -9.552 1.00 0.00 C ATOM 215 C ASN A 13 5.940 15.873 -10.800 1.00 0.00 C ATOM 216 O ASN A 13 6.418 16.970 -11.089 1.00 0.00 O ATOM 217 CB ASN A 13 5.958 15.544 -8.321 1.00 0.00 C ATOM 218 CG ASN A 13 5.195 15.738 -7.041 1.00 0.00 C ATOM 219 OD1 ASN A 13 4.146 16.393 -7.022 1.00 0.00 O ATOM 220 ND2 ASN A 13 5.700 15.182 -5.969 1.00 0.00 N ATOM 221 H ASN A 13 4.292 13.771 -9.072 1.00 0.00 H ATOM 222 HA ASN A 13 4.488 16.603 -9.409 1.00 0.00 H ATOM 223 1HB ASN A 13 6.406 14.549 -8.317 1.00 0.00 H ATOM 224 2HB ASN A 13 6.772 16.268 -8.359 1.00 0.00 H ATOM 225 1HD2 ASN A 13 5.234 15.278 -5.089 1.00 0.00 H ATOM 226 2HD2 ASN A 13 6.550 14.661 -6.031 1.00 0.00 H ATOM 227 N ASN A 14 6.130 14.784 -11.536 1.00 0.00 N ATOM 228 CA ASN A 14 6.872 14.827 -12.791 1.00 0.00 C ATOM 229 C ASN A 14 6.045 15.468 -13.898 1.00 0.00 C ATOM 230 O ASN A 14 6.525 15.656 -15.015 1.00 0.00 O ATOM 231 CB ASN A 14 7.318 13.434 -13.196 1.00 0.00 C ATOM 232 CG ASN A 14 8.394 12.889 -12.299 1.00 0.00 C ATOM 233 OD1 ASN A 14 9.149 13.648 -11.681 1.00 0.00 O ATOM 234 ND2 ASN A 14 8.479 11.585 -12.215 1.00 0.00 N ATOM 235 H ASN A 14 5.751 13.903 -11.219 1.00 0.00 H ATOM 236 HA ASN A 14 7.764 15.438 -12.645 1.00 0.00 H ATOM 237 1HB ASN A 14 6.463 12.757 -13.172 1.00 0.00 H ATOM 238 2HB ASN A 14 7.690 13.455 -14.220 1.00 0.00 H ATOM 239 1HD2 ASN A 14 9.177 11.166 -11.633 1.00 0.00 H ATOM 240 2HD2 ASN A 14 7.848 11.009 -12.733 1.00 0.00 H ATOM 241 N GLY A 15 4.798 15.802 -13.580 1.00 0.00 N ATOM 242 CA GLY A 15 3.942 16.534 -14.506 1.00 0.00 C ATOM 243 C GLY A 15 2.884 15.622 -15.115 1.00 0.00 C ATOM 244 O GLY A 15 2.288 15.947 -16.142 1.00 0.00 O ATOM 245 H GLY A 15 4.435 15.543 -12.674 1.00 0.00 H ATOM 246 1HA GLY A 15 3.458 17.358 -13.981 1.00 0.00 H ATOM 247 2HA GLY A 15 4.550 16.970 -15.297 1.00 0.00 H ATOM 248 N LEU A 16 2.656 14.480 -14.476 1.00 0.00 N ATOM 249 CA LEU A 16 1.630 13.544 -14.922 1.00 0.00 C ATOM 250 C LEU A 16 0.355 13.695 -14.103 1.00 0.00 C ATOM 251 O LEU A 16 0.381 14.206 -12.983 1.00 0.00 O ATOM 252 CB LEU A 16 2.145 12.103 -14.817 1.00 0.00 C ATOM 253 CG LEU A 16 3.404 11.785 -15.634 1.00 0.00 C ATOM 254 CD1 LEU A 16 3.824 10.344 -15.380 1.00 0.00 C ATOM 255 CD2 LEU A 16 3.123 12.021 -17.111 1.00 0.00 C ATOM 256 H LEU A 16 3.208 14.253 -13.661 1.00 0.00 H ATOM 257 HA LEU A 16 1.396 13.758 -15.964 1.00 0.00 H ATOM 258 1HB LEU A 16 2.365 11.888 -13.773 1.00 0.00 H ATOM 259 2HB LEU A 16 1.356 11.427 -15.147 1.00 0.00 H ATOM 260 HG LEU A 16 4.220 12.433 -15.312 1.00 0.00 H ATOM 261 1HD1 LEU A 16 4.718 10.118 -15.961 1.00 0.00 H ATOM 262 2HD1 LEU A 16 4.037 10.209 -14.320 1.00 0.00 H ATOM 263 3HD1 LEU A 16 3.019 9.673 -15.678 1.00 0.00 H ATOM 264 1HD2 LEU A 16 4.018 11.796 -17.692 1.00 0.00 H ATOM 265 2HD2 LEU A 16 2.308 11.374 -17.434 1.00 0.00 H ATOM 266 3HD2 LEU A 16 2.842 13.063 -17.266 1.00 0.00 H ATOM 267 N SER A 17 -0.762 13.248 -14.668 1.00 0.00 N ATOM 268 CA SER A 17 -2.016 13.169 -13.929 1.00 0.00 C ATOM 269 C SER A 17 -2.181 11.806 -13.268 1.00 0.00 C ATOM 270 O SER A 17 -1.557 10.827 -13.677 1.00 0.00 O ATOM 271 CB SER A 17 -3.186 13.436 -14.856 1.00 0.00 C ATOM 272 OG SER A 17 -3.327 12.406 -15.796 1.00 0.00 O ATOM 273 H SER A 17 -0.741 12.955 -15.634 1.00 0.00 H ATOM 274 HA SER A 17 -2.006 13.930 -13.147 1.00 0.00 H ATOM 275 1HB SER A 17 -4.101 13.526 -14.270 1.00 0.00 H ATOM 276 2HB SER A 17 -3.033 14.383 -15.371 1.00 0.00 H ATOM 277 HG SER A 17 -2.658 12.566 -16.465 1.00 0.00 H ATOM 278 N PRO A 18 -3.025 11.749 -12.243 1.00 0.00 N ATOM 279 CA PRO A 18 -3.350 10.489 -11.587 1.00 0.00 C ATOM 280 C PRO A 18 -3.780 9.435 -12.600 1.00 0.00 C ATOM 281 O PRO A 18 -3.507 8.247 -12.428 1.00 0.00 O ATOM 282 CB PRO A 18 -4.499 10.874 -10.650 1.00 0.00 C ATOM 283 CG PRO A 18 -4.246 12.308 -10.332 1.00 0.00 C ATOM 284 CD PRO A 18 -3.747 12.896 -11.625 1.00 0.00 C ATOM 285 HA PRO A 18 -2.461 10.130 -11.066 1.00 0.00 H ATOM 286 1HB PRO A 18 -5.464 10.712 -11.152 1.00 0.00 H ATOM 287 2HB PRO A 18 -4.489 10.230 -9.758 1.00 0.00 H ATOM 288 1HG PRO A 18 -5.171 12.787 -9.978 1.00 0.00 H ATOM 289 2HG PRO A 18 -3.512 12.392 -9.517 1.00 0.00 H ATOM 290 1HD PRO A 18 -4.603 13.220 -12.235 1.00 0.00 H ATOM 291 2HD PRO A 18 -3.080 13.744 -11.409 1.00 0.00 H ATOM 292 N GLU A 19 -4.454 9.878 -13.656 1.00 0.00 N ATOM 293 CA GLU A 19 -4.897 8.978 -14.714 1.00 0.00 C ATOM 294 C GLU A 19 -3.718 8.473 -15.537 1.00 0.00 C ATOM 295 O GLU A 19 -3.692 7.315 -15.955 1.00 0.00 O ATOM 296 CB GLU A 19 -5.903 9.682 -15.627 1.00 0.00 C ATOM 297 CG GLU A 19 -7.247 9.975 -14.973 1.00 0.00 C ATOM 298 CD GLU A 19 -8.007 8.728 -14.615 1.00 0.00 C ATOM 299 OE1 GLU A 19 -7.997 7.805 -15.393 1.00 0.00 O ATOM 300 OE2 GLU A 19 -8.597 8.699 -13.561 1.00 0.00 O ATOM 301 H GLU A 19 -4.665 10.863 -13.728 1.00 0.00 H ATOM 302 HA GLU A 19 -5.395 8.123 -14.256 1.00 0.00 H ATOM 303 1HB GLU A 19 -5.485 10.628 -15.969 1.00 0.00 H ATOM 304 2HB GLU A 19 -6.087 9.068 -16.508 1.00 0.00 H ATOM 305 1HG GLU A 19 -7.079 10.557 -14.068 1.00 0.00 H ATOM 306 2HG GLU A 19 -7.846 10.577 -15.654 1.00 0.00 H ATOM 307 N ASP A 20 -2.745 9.347 -15.766 1.00 0.00 N ATOM 308 CA ASP A 20 -1.506 8.959 -16.430 1.00 0.00 C ATOM 309 C ASP A 20 -0.721 7.960 -15.590 1.00 0.00 C ATOM 310 O ASP A 20 -0.051 7.076 -16.125 1.00 0.00 O ATOM 311 CB ASP A 20 -0.641 10.189 -16.713 1.00 0.00 C ATOM 312 CG ASP A 20 -1.249 11.114 -17.759 1.00 0.00 C ATOM 313 OD1 ASP A 20 -1.736 10.621 -18.749 1.00 0.00 O ATOM 314 OD2 ASP A 20 -1.222 12.305 -17.557 1.00 0.00 O ATOM 315 H ASP A 20 -2.866 10.306 -15.473 1.00 0.00 H ATOM 316 HA ASP A 20 -1.757 8.493 -17.384 1.00 0.00 H ATOM 317 1HB ASP A 20 -0.496 10.752 -15.791 1.00 0.00 H ATOM 318 2HB ASP A 20 0.343 9.870 -17.060 1.00 0.00 H ATOM 319 N VAL A 21 -0.807 8.106 -14.272 1.00 0.00 N ATOM 320 CA VAL A 21 -0.163 7.174 -13.355 1.00 0.00 C ATOM 321 C VAL A 21 -0.799 5.793 -13.436 1.00 0.00 C ATOM 322 O VAL A 21 -0.105 4.776 -13.415 1.00 0.00 O ATOM 323 CB VAL A 21 -0.258 7.696 -11.909 1.00 0.00 C ATOM 324 CG1 VAL A 21 0.241 6.644 -10.929 1.00 0.00 C ATOM 325 CG2 VAL A 21 0.539 8.984 -11.770 1.00 0.00 C ATOM 326 H VAL A 21 -1.332 8.883 -13.897 1.00 0.00 H ATOM 327 HA VAL A 21 0.890 7.091 -13.628 1.00 0.00 H ATOM 328 HB VAL A 21 -1.304 7.888 -11.669 1.00 0.00 H ATOM 329 1HG1 VAL A 21 0.166 7.030 -9.912 1.00 0.00 H ATOM 330 2HG1 VAL A 21 -0.367 5.744 -11.021 1.00 0.00 H ATOM 331 3HG1 VAL A 21 1.281 6.406 -11.150 1.00 0.00 H ATOM 332 1HG2 VAL A 21 0.467 9.348 -10.745 1.00 0.00 H ATOM 333 2HG2 VAL A 21 1.584 8.794 -12.014 1.00 0.00 H ATOM 334 3HG2 VAL A 21 0.138 9.735 -12.450 1.00 0.00 H ATOM 335 N LYS A 22 -2.124 5.762 -13.528 1.00 0.00 N ATOM 336 CA LYS A 22 -2.851 4.510 -13.703 1.00 0.00 C ATOM 337 C LYS A 22 -2.368 3.760 -14.937 1.00 0.00 C ATOM 338 O LYS A 22 -2.165 2.546 -14.897 1.00 0.00 O ATOM 339 CB LYS A 22 -4.355 4.773 -13.803 1.00 0.00 C ATOM 340 CG LYS A 22 -4.997 5.256 -12.509 1.00 0.00 C ATOM 341 CD LYS A 22 -6.477 5.550 -12.702 1.00 0.00 C ATOM 342 CE LYS A 22 -7.067 6.248 -11.486 1.00 0.00 C ATOM 343 NZ LYS A 22 -8.495 6.613 -11.692 1.00 0.00 N ATOM 344 H LYS A 22 -2.641 6.628 -13.476 1.00 0.00 H ATOM 345 HA LYS A 22 -2.681 3.886 -12.825 1.00 0.00 H ATOM 346 1HB LYS A 22 -4.542 5.525 -14.570 1.00 0.00 H ATOM 347 2HB LYS A 22 -4.865 3.859 -14.108 1.00 0.00 H ATOM 348 1HG LYS A 22 -4.884 4.492 -11.739 1.00 0.00 H ATOM 349 2HG LYS A 22 -4.496 6.163 -12.171 1.00 0.00 H ATOM 350 1HD LYS A 22 -6.610 6.188 -13.577 1.00 0.00 H ATOM 351 2HD LYS A 22 -7.014 4.617 -12.870 1.00 0.00 H ATOM 352 1HE LYS A 22 -6.994 5.592 -10.619 1.00 0.00 H ATOM 353 2HE LYS A 22 -6.500 7.155 -11.276 1.00 0.00 H ATOM 354 1HZ LYS A 22 -8.848 7.073 -10.865 1.00 0.00 H ATOM 355 2HZ LYS A 22 -8.572 7.237 -12.483 1.00 0.00 H ATOM 356 3HZ LYS A 22 -9.034 5.778 -11.868 1.00 0.00 H ATOM 357 N ARG A 23 -2.184 4.489 -16.032 1.00 0.00 N ATOM 358 CA ARG A 23 -1.689 3.899 -17.271 1.00 0.00 C ATOM 359 C ARG A 23 -0.229 3.486 -17.139 1.00 0.00 C ATOM 360 O ARG A 23 0.179 2.443 -17.650 1.00 0.00 O ATOM 361 CB ARG A 23 -1.833 4.880 -18.425 1.00 0.00 C ATOM 362 CG ARG A 23 -3.266 5.219 -18.802 1.00 0.00 C ATOM 363 CD ARG A 23 -4.021 4.014 -19.230 1.00 0.00 C ATOM 364 NE ARG A 23 -5.331 4.355 -19.760 1.00 0.00 N ATOM 365 CZ ARG A 23 -6.306 3.462 -20.023 1.00 0.00 C ATOM 366 NH1 ARG A 23 -6.104 2.183 -19.800 1.00 0.00 N ATOM 367 NH2 ARG A 23 -7.466 3.874 -20.505 1.00 0.00 N ATOM 368 H ARG A 23 -2.393 5.477 -16.006 1.00 0.00 H ATOM 369 HA ARG A 23 -2.285 3.014 -17.495 1.00 0.00 H ATOM 370 1HB ARG A 23 -1.328 5.813 -18.175 1.00 0.00 H ATOM 371 2HB ARG A 23 -1.346 4.473 -19.311 1.00 0.00 H ATOM 372 1HG ARG A 23 -3.775 5.655 -17.942 1.00 0.00 H ATOM 373 2HG ARG A 23 -3.267 5.935 -19.625 1.00 0.00 H ATOM 374 1HD ARG A 23 -3.464 3.493 -20.008 1.00 0.00 H ATOM 375 2HD ARG A 23 -4.160 3.350 -18.378 1.00 0.00 H ATOM 376 HE ARG A 23 -5.525 5.330 -19.945 1.00 0.00 H ATOM 377 1HH1 ARG A 23 -5.217 1.868 -19.432 1.00 0.00 H ATOM 378 2HH1 ARG A 23 -6.834 1.514 -19.996 1.00 0.00 H ATOM 379 1HH2 ARG A 23 -7.622 4.857 -20.676 1.00 0.00 H ATOM 380 2HH2 ARG A 23 -8.196 3.205 -20.701 1.00 0.00 H ATOM 381 N TRP A 24 0.554 4.309 -16.450 1.00 0.00 N ATOM 382 CA TRP A 24 1.932 3.962 -16.124 1.00 0.00 C ATOM 383 C TRP A 24 2.006 2.634 -15.381 1.00 0.00 C ATOM 384 O TRP A 24 2.851 1.790 -15.680 1.00 0.00 O ATOM 385 CB TRP A 24 2.573 5.062 -15.276 1.00 0.00 C ATOM 386 CG TRP A 24 4.003 4.787 -14.920 1.00 0.00 C ATOM 387 CD1 TRP A 24 5.107 5.216 -15.594 1.00 0.00 C ATOM 388 CD2 TRP A 24 4.493 4.016 -13.797 1.00 0.00 C ATOM 389 NE1 TRP A 24 6.245 4.767 -14.971 1.00 0.00 N ATOM 390 CE2 TRP A 24 5.888 4.032 -13.869 1.00 0.00 C ATOM 391 CE3 TRP A 24 3.868 3.324 -12.751 1.00 0.00 C ATOM 392 CZ2 TRP A 24 6.679 3.380 -12.935 1.00 0.00 C ATOM 393 CZ3 TRP A 24 4.661 2.672 -11.814 1.00 0.00 C ATOM 394 CH2 TRP A 24 6.030 2.700 -11.904 1.00 0.00 C ATOM 395 H TRP A 24 0.185 5.198 -16.144 1.00 0.00 H ATOM 396 HA TRP A 24 2.496 3.874 -17.054 1.00 0.00 H ATOM 397 1HB TRP A 24 2.529 6.009 -15.814 1.00 0.00 H ATOM 398 2HB TRP A 24 2.008 5.184 -14.352 1.00 0.00 H ATOM 399 HD1 TRP A 24 5.089 5.827 -16.494 1.00 0.00 H ATOM 400 HE1 TRP A 24 7.192 4.947 -15.274 1.00 0.00 H ATOM 401 HE3 TRP A 24 2.782 3.301 -12.674 1.00 0.00 H ATOM 402 HZ2 TRP A 24 7.768 3.391 -12.990 1.00 0.00 H ATOM 403 HZ3 TRP A 24 4.167 2.135 -11.004 1.00 0.00 H ATOM 404 HH2 TRP A 24 6.622 2.178 -11.152 1.00 0.00 H ATOM 405 N ALA A 25 1.115 2.455 -14.411 1.00 0.00 N ATOM 406 CA ALA A 25 1.066 1.222 -13.635 1.00 0.00 C ATOM 407 C ALA A 25 0.729 0.028 -14.518 1.00 0.00 C ATOM 408 O ALA A 25 1.289 -1.056 -14.354 1.00 0.00 O ATOM 409 CB ALA A 25 0.054 1.347 -12.506 1.00 0.00 C ATOM 410 H ALA A 25 0.455 3.192 -14.207 1.00 0.00 H ATOM 411 HA ALA A 25 2.045 1.058 -13.184 1.00 0.00 H ATOM 412 1HB ALA A 25 0.028 0.419 -11.935 1.00 0.00 H ATOM 413 2HB ALA A 25 0.340 2.169 -11.849 1.00 0.00 H ATOM 414 3HB ALA A 25 -0.933 1.544 -12.922 1.00 0.00 H ATOM 415 N GLU A 26 -0.191 0.232 -15.455 1.00 0.00 N ATOM 416 CA GLU A 26 -0.586 -0.820 -16.383 1.00 0.00 C ATOM 417 C GLU A 26 0.575 -1.230 -17.280 1.00 0.00 C ATOM 418 O GLU A 26 0.728 -2.404 -17.617 1.00 0.00 O ATOM 419 CB GLU A 26 -1.768 -0.360 -17.240 1.00 0.00 C ATOM 420 CG GLU A 26 -3.082 -0.235 -16.483 1.00 0.00 C ATOM 421 CD GLU A 26 -4.195 0.316 -17.331 1.00 0.00 C ATOM 422 OE1 GLU A 26 -3.925 0.747 -18.426 1.00 0.00 O ATOM 423 OE2 GLU A 26 -5.318 0.305 -16.883 1.00 0.00 O ATOM 424 H GLU A 26 -0.626 1.141 -15.527 1.00 0.00 H ATOM 425 HA GLU A 26 -0.905 -1.689 -15.805 1.00 0.00 H ATOM 426 1HB GLU A 26 -1.541 0.611 -17.680 1.00 0.00 H ATOM 427 2HB GLU A 26 -1.919 -1.063 -18.059 1.00 0.00 H ATOM 428 1HG GLU A 26 -3.374 -1.219 -16.117 1.00 0.00 H ATOM 429 2HG GLU A 26 -2.933 0.414 -15.622 1.00 0.00 H ATOM 430 N LYS A 27 1.392 -0.255 -17.664 1.00 0.00 N ATOM 431 CA LYS A 27 2.541 -0.512 -18.523 1.00 0.00 C ATOM 432 C LYS A 27 3.674 -1.170 -17.746 1.00 0.00 C ATOM 433 O LYS A 27 4.381 -2.030 -18.271 1.00 0.00 O ATOM 434 CB LYS A 27 3.030 0.787 -19.167 1.00 0.00 C ATOM 435 CG LYS A 27 2.085 1.366 -20.212 1.00 0.00 C ATOM 436 CD LYS A 27 2.613 2.680 -20.766 1.00 0.00 C ATOM 437 CE LYS A 27 1.658 3.272 -21.793 1.00 0.00 C ATOM 438 NZ LYS A 27 2.148 4.573 -22.323 1.00 0.00 N ATOM 439 H LYS A 27 1.212 0.689 -17.352 1.00 0.00 H ATOM 440 HA LYS A 27 2.230 -1.183 -19.325 1.00 0.00 H ATOM 441 1HB LYS A 27 3.178 1.543 -18.395 1.00 0.00 H ATOM 442 2HB LYS A 27 3.994 0.615 -19.646 1.00 0.00 H ATOM 443 1HG LYS A 27 1.969 0.656 -21.031 1.00 0.00 H ATOM 444 2HG LYS A 27 1.107 1.537 -19.763 1.00 0.00 H ATOM 445 1HD LYS A 27 2.744 3.393 -19.951 1.00 0.00 H ATOM 446 2HD LYS A 27 3.581 2.513 -21.239 1.00 0.00 H ATOM 447 1HE LYS A 27 1.540 2.577 -22.623 1.00 0.00 H ATOM 448 2HE LYS A 27 0.681 3.426 -21.335 1.00 0.00 H ATOM 449 1HZ LYS A 27 1.488 4.932 -22.999 1.00 0.00 H ATOM 450 2HZ LYS A 27 2.243 5.233 -21.563 1.00 0.00 H ATOM 451 3HZ LYS A 27 3.045 4.440 -22.767 1.00 0.00 H ATOM 452 N ASN A 28 3.841 -0.760 -16.494 1.00 0.00 N ATOM 453 CA ASN A 28 4.953 -1.230 -15.676 1.00 0.00 C ATOM 454 C ASN A 28 4.512 -2.339 -14.730 1.00 0.00 C ATOM 455 O ASN A 28 5.263 -2.749 -13.844 1.00 0.00 O ATOM 456 CB ASN A 28 5.570 -0.080 -14.901 1.00 0.00 C ATOM 457 CG ASN A 28 6.307 0.885 -15.787 1.00 0.00 C ATOM 458 OD1 ASN A 28 7.523 0.770 -15.974 1.00 0.00 O ATOM 459 ND2 ASN A 28 5.593 1.835 -16.337 1.00 0.00 N ATOM 460 H ASN A 28 3.181 -0.107 -16.097 1.00 0.00 H ATOM 461 HA ASN A 28 5.732 -1.638 -16.321 1.00 0.00 H ATOM 462 1HB ASN A 28 4.787 0.460 -14.367 1.00 0.00 H ATOM 463 2HB ASN A 28 6.262 -0.473 -14.156 1.00 0.00 H ATOM 464 1HD2 ASN A 28 6.031 2.506 -16.937 1.00 0.00 H ATOM 465 2HD2 ASN A 28 4.611 1.889 -16.158 1.00 0.00 H ATOM 466 N ASN A 29 3.288 -2.821 -14.921 1.00 0.00 N ATOM 467 CA ASN A 29 2.785 -3.959 -14.161 1.00 0.00 C ATOM 468 C ASN A 29 2.880 -3.704 -12.662 1.00 0.00 C ATOM 469 O ASN A 29 3.529 -4.455 -11.934 1.00 0.00 O ATOM 470 CB ASN A 29 3.534 -5.225 -14.535 1.00 0.00 C ATOM 471 CG ASN A 29 3.346 -5.601 -15.979 1.00 0.00 C ATOM 472 OD1 ASN A 29 2.225 -5.567 -16.501 1.00 0.00 O ATOM 473 ND2 ASN A 29 4.420 -5.960 -16.633 1.00 0.00 N ATOM 474 H ASN A 29 2.692 -2.388 -15.612 1.00 0.00 H ATOM 475 HA ASN A 29 1.729 -4.095 -14.400 1.00 0.00 H ATOM 476 1HB ASN A 29 4.599 -5.088 -14.343 1.00 0.00 H ATOM 477 2HB ASN A 29 3.191 -6.049 -13.909 1.00 0.00 H ATOM 478 1HD2 ASN A 29 4.355 -6.222 -17.597 1.00 0.00 H ATOM 479 2HD2 ASN A 29 5.306 -5.974 -16.171 1.00 0.00 H ATOM 480 N ASN A 30 2.227 -2.640 -12.206 1.00 0.00 N ATOM 481 CA ASN A 30 2.148 -2.343 -10.780 1.00 0.00 C ATOM 482 C ASN A 30 0.723 -1.996 -10.369 1.00 0.00 C ATOM 483 O ASN A 30 0.402 -0.831 -10.132 1.00 0.00 O ATOM 484 CB ASN A 30 3.099 -1.218 -10.415 1.00 0.00 C ATOM 485 CG ASN A 30 4.539 -1.578 -10.654 1.00 0.00 C ATOM 486 OD1 ASN A 30 5.118 -2.391 -9.925 1.00 0.00 O ATOM 487 ND2 ASN A 30 5.128 -0.988 -11.663 1.00 0.00 N ATOM 488 H ASN A 30 1.775 -2.021 -12.863 1.00 0.00 H ATOM 489 HA ASN A 30 2.436 -3.237 -10.224 1.00 0.00 H ATOM 490 1HB ASN A 30 2.856 -0.331 -11.002 1.00 0.00 H ATOM 491 2HB ASN A 30 2.971 -0.960 -9.364 1.00 0.00 H ATOM 492 1HD2 ASN A 30 6.086 -1.189 -11.870 1.00 0.00 H ATOM 493 2HD2 ASN A 30 4.621 -0.337 -12.227 1.00 0.00 H ATOM 494 N PRO A 31 -0.128 -3.013 -10.285 1.00 0.00 N ATOM 495 CA PRO A 31 -1.533 -2.811 -9.954 1.00 0.00 C ATOM 496 C PRO A 31 -1.687 -1.979 -8.687 1.00 0.00 C ATOM 497 O PRO A 31 -2.632 -1.203 -8.553 1.00 0.00 O ATOM 498 CB PRO A 31 -2.050 -4.240 -9.758 1.00 0.00 C ATOM 499 CG PRO A 31 -1.222 -5.059 -10.688 1.00 0.00 C ATOM 500 CD PRO A 31 0.152 -4.449 -10.602 1.00 0.00 C ATOM 501 HA PRO A 31 -2.010 -2.281 -10.779 1.00 0.00 H ATOM 502 1HB PRO A 31 -1.935 -4.540 -8.707 1.00 0.00 H ATOM 503 2HB PRO A 31 -3.125 -4.286 -9.990 1.00 0.00 H ATOM 504 1HG PRO A 31 -1.237 -6.115 -10.380 1.00 0.00 H ATOM 505 2HG PRO A 31 -1.640 -5.019 -11.705 1.00 0.00 H ATOM 506 1HD PRO A 31 0.719 -4.934 -9.793 1.00 0.00 H ATOM 507 2HD PRO A 31 0.669 -4.570 -11.565 1.00 0.00 H ATOM 508 N GLU A 32 -0.751 -2.147 -7.758 1.00 0.00 N ATOM 509 CA GLU A 32 -0.829 -1.481 -6.463 1.00 0.00 C ATOM 510 C GLU A 32 -0.656 0.025 -6.608 1.00 0.00 C ATOM 511 O GLU A 32 -1.202 0.801 -5.823 1.00 0.00 O ATOM 512 CB GLU A 32 0.234 -2.038 -5.513 1.00 0.00 C ATOM 513 CG GLU A 32 0.034 -3.498 -5.132 1.00 0.00 C ATOM 514 CD GLU A 32 -1.305 -3.759 -4.500 1.00 0.00 C ATOM 515 OE1 GLU A 32 -1.657 -3.054 -3.586 1.00 0.00 O ATOM 516 OE2 GLU A 32 -1.977 -4.666 -4.933 1.00 0.00 O ATOM 517 H GLU A 32 0.034 -2.752 -7.954 1.00 0.00 H ATOM 518 HA GLU A 32 -1.809 -1.681 -6.030 1.00 0.00 H ATOM 519 1HB GLU A 32 1.218 -1.944 -5.972 1.00 0.00 H ATOM 520 2HB GLU A 32 0.244 -1.451 -4.595 1.00 0.00 H ATOM 521 1HG GLU A 32 0.126 -4.112 -6.027 1.00 0.00 H ATOM 522 2HG GLU A 32 0.821 -3.792 -4.439 1.00 0.00 H ATOM 523 N VAL A 33 0.107 0.434 -7.616 1.00 0.00 N ATOM 524 CA VAL A 33 0.279 1.849 -7.921 1.00 0.00 C ATOM 525 C VAL A 33 -0.987 2.440 -8.527 1.00 0.00 C ATOM 526 O VAL A 33 -1.380 3.560 -8.200 1.00 0.00 O ATOM 527 CB VAL A 33 1.453 2.046 -8.899 1.00 0.00 C ATOM 528 CG1 VAL A 33 1.512 3.489 -9.377 1.00 0.00 C ATOM 529 CG2 VAL A 33 2.758 1.647 -8.228 1.00 0.00 C ATOM 530 H VAL A 33 0.579 -0.253 -8.186 1.00 0.00 H ATOM 531 HA VAL A 33 0.503 2.379 -6.994 1.00 0.00 H ATOM 532 HB VAL A 33 1.290 1.423 -9.778 1.00 0.00 H ATOM 533 1HG1 VAL A 33 2.347 3.610 -10.068 1.00 0.00 H ATOM 534 2HG1 VAL A 33 0.582 3.742 -9.886 1.00 0.00 H ATOM 535 3HG1 VAL A 33 1.650 4.150 -8.522 1.00 0.00 H ATOM 536 1HG2 VAL A 33 3.584 1.787 -8.925 1.00 0.00 H ATOM 537 2HG2 VAL A 33 2.918 2.266 -7.345 1.00 0.00 H ATOM 538 3HG2 VAL A 33 2.709 0.599 -7.931 1.00 0.00 H ATOM 539 N LYS A 34 -1.623 1.681 -9.413 1.00 0.00 N ATOM 540 CA LYS A 34 -2.917 2.067 -9.963 1.00 0.00 C ATOM 541 C LYS A 34 -3.958 2.228 -8.863 1.00 0.00 C ATOM 542 O LYS A 34 -4.756 3.165 -8.882 1.00 0.00 O ATOM 543 CB LYS A 34 -3.391 1.036 -10.989 1.00 0.00 C ATOM 544 CG LYS A 34 -4.720 1.374 -11.653 1.00 0.00 C ATOM 545 CD LYS A 34 -5.047 0.391 -12.767 1.00 0.00 C ATOM 546 CE LYS A 34 -6.419 0.666 -13.364 1.00 0.00 C ATOM 547 NZ LYS A 34 -6.734 -0.259 -14.486 1.00 0.00 N ATOM 548 H LYS A 34 -1.199 0.815 -9.713 1.00 0.00 H ATOM 549 HA LYS A 34 -2.804 3.021 -10.480 1.00 0.00 H ATOM 550 1HB LYS A 34 -2.642 0.932 -11.774 1.00 0.00 H ATOM 551 2HB LYS A 34 -3.496 0.064 -10.506 1.00 0.00 H ATOM 552 1HG LYS A 34 -5.517 1.344 -10.908 1.00 0.00 H ATOM 553 2HG LYS A 34 -4.673 2.380 -12.069 1.00 0.00 H ATOM 554 1HD LYS A 34 -4.295 0.469 -13.554 1.00 0.00 H ATOM 555 2HD LYS A 34 -5.030 -0.625 -12.372 1.00 0.00 H ATOM 556 1HE LYS A 34 -7.180 0.555 -12.593 1.00 0.00 H ATOM 557 2HE LYS A 34 -6.456 1.691 -13.734 1.00 0.00 H ATOM 558 1HZ LYS A 34 -7.650 -0.044 -14.854 1.00 0.00 H ATOM 559 2HZ LYS A 34 -6.044 -0.151 -15.216 1.00 0.00 H ATOM 560 3HZ LYS A 34 -6.722 -1.212 -14.150 1.00 0.00 H ATOM 561 N LYS A 35 -3.945 1.308 -7.904 1.00 0.00 N ATOM 562 CA LYS A 35 -4.817 1.403 -6.739 1.00 0.00 C ATOM 563 C LYS A 35 -4.547 2.679 -5.952 1.00 0.00 C ATOM 564 O LYS A 35 -5.475 3.391 -5.568 1.00 0.00 O ATOM 565 CB LYS A 35 -4.641 0.181 -5.837 1.00 0.00 C ATOM 566 CG LYS A 35 -5.171 -1.119 -6.428 1.00 0.00 C ATOM 567 CD LYS A 35 -4.872 -2.302 -5.519 1.00 0.00 C ATOM 568 CE LYS A 35 -5.239 -3.619 -6.185 1.00 0.00 C ATOM 569 NZ LYS A 35 -4.870 -4.790 -5.344 1.00 0.00 N ATOM 570 H LYS A 35 -3.315 0.523 -7.984 1.00 0.00 H ATOM 571 HA LYS A 35 -5.852 1.417 -7.082 1.00 0.00 H ATOM 572 1HB LYS A 35 -3.582 0.041 -5.617 1.00 0.00 H ATOM 573 2HB LYS A 35 -5.153 0.351 -4.890 1.00 0.00 H ATOM 574 1HG LYS A 35 -6.250 -1.042 -6.567 1.00 0.00 H ATOM 575 2HG LYS A 35 -4.709 -1.292 -7.399 1.00 0.00 H ATOM 576 1HD LYS A 35 -3.810 -2.312 -5.272 1.00 0.00 H ATOM 577 2HD LYS A 35 -5.441 -2.203 -4.594 1.00 0.00 H ATOM 578 1HE LYS A 35 -6.311 -3.646 -6.373 1.00 0.00 H ATOM 579 2HE LYS A 35 -4.723 -3.699 -7.142 1.00 0.00 H ATOM 580 1HZ LYS A 35 -5.129 -5.643 -5.820 1.00 0.00 H ATOM 581 2HZ LYS A 35 -3.873 -4.786 -5.179 1.00 0.00 H ATOM 582 3HZ LYS A 35 -5.357 -4.738 -4.461 1.00 0.00 H ATOM 583 N ALA A 36 -3.271 2.962 -5.713 1.00 0.00 N ATOM 584 CA ALA A 36 -2.876 4.156 -4.976 1.00 0.00 C ATOM 585 C ALA A 36 -3.202 5.421 -5.760 1.00 0.00 C ATOM 586 O ALA A 36 -3.482 6.468 -5.178 1.00 0.00 O ATOM 587 CB ALA A 36 -1.391 4.107 -4.645 1.00 0.00 C ATOM 588 H ALA A 36 -2.556 2.334 -6.051 1.00 0.00 H ATOM 589 HA ALA A 36 -3.424 4.178 -4.033 1.00 0.00 H ATOM 590 1HB ALA A 36 -1.112 5.006 -4.094 1.00 0.00 H ATOM 591 2HB ALA A 36 -1.183 3.228 -4.034 1.00 0.00 H ATOM 592 3HB ALA A 36 -0.815 4.053 -5.566 1.00 0.00 H ATOM 593 N ALA A 37 -3.163 5.316 -7.084 1.00 0.00 N ATOM 594 CA ALA A 37 -3.531 6.429 -7.951 1.00 0.00 C ATOM 595 C ALA A 37 -5.001 6.794 -7.786 1.00 0.00 C ATOM 596 O ALA A 37 -5.354 7.971 -7.714 1.00 0.00 O ATOM 597 CB ALA A 37 -3.230 6.090 -9.404 1.00 0.00 C ATOM 598 H ALA A 37 -2.872 4.443 -7.500 1.00 0.00 H ATOM 599 HA ALA A 37 -2.924 7.294 -7.681 1.00 0.00 H ATOM 600 1HB ALA A 37 -3.510 6.931 -10.039 1.00 0.00 H ATOM 601 2HB ALA A 37 -2.165 5.889 -9.517 1.00 0.00 H ATOM 602 3HB ALA A 37 -3.799 5.209 -9.697 1.00 0.00 H ATOM 603 N GLU A 38 -5.854 5.777 -7.727 1.00 0.00 N ATOM 604 CA GLU A 38 -7.260 5.975 -7.393 1.00 0.00 C ATOM 605 C GLU A 38 -7.414 6.604 -6.014 1.00 0.00 C ATOM 606 O GLU A 38 -8.158 7.570 -5.842 1.00 0.00 O ATOM 607 CB GLU A 38 -8.013 4.644 -7.444 1.00 0.00 C ATOM 608 CG GLU A 38 -9.498 4.749 -7.127 1.00 0.00 C ATOM 609 CD GLU A 38 -10.196 3.418 -7.147 1.00 0.00 C ATOM 610 OE1 GLU A 38 -9.553 2.435 -7.430 1.00 0.00 O ATOM 611 OE2 GLU A 38 -11.374 3.383 -6.880 1.00 0.00 O ATOM 612 H GLU A 38 -5.521 4.843 -7.919 1.00 0.00 H ATOM 613 HA GLU A 38 -7.701 6.643 -8.134 1.00 0.00 H ATOM 614 1HB GLU A 38 -7.913 4.207 -8.438 1.00 0.00 H ATOM 615 2HB GLU A 38 -7.568 3.946 -6.734 1.00 0.00 H ATOM 616 1HG GLU A 38 -9.617 5.194 -6.140 1.00 0.00 H ATOM 617 2HG GLU A 38 -9.967 5.411 -7.853 1.00 0.00 H ATOM 618 N GLU A 39 -6.708 6.051 -5.034 1.00 0.00 N ATOM 619 CA GLU A 39 -6.718 6.595 -3.681 1.00 0.00 C ATOM 620 C GLU A 39 -6.355 8.074 -3.679 1.00 0.00 C ATOM 621 O GLU A 39 -7.004 8.881 -3.014 1.00 0.00 O ATOM 622 CB GLU A 39 -5.746 5.820 -2.788 1.00 0.00 C ATOM 623 CG GLU A 39 -5.751 6.255 -1.329 1.00 0.00 C ATOM 624 CD GLU A 39 -4.735 5.522 -0.498 1.00 0.00 C ATOM 625 OE1 GLU A 39 -3.584 5.522 -0.863 1.00 0.00 O ATOM 626 OE2 GLU A 39 -5.111 4.962 0.505 1.00 0.00 O ATOM 627 H GLU A 39 -6.149 5.233 -5.232 1.00 0.00 H ATOM 628 HA GLU A 39 -7.722 6.480 -3.270 1.00 0.00 H ATOM 629 1HB GLU A 39 -5.989 4.758 -2.821 1.00 0.00 H ATOM 630 2HB GLU A 39 -4.731 5.936 -3.169 1.00 0.00 H ATOM 631 1HG GLU A 39 -5.542 7.323 -1.279 1.00 0.00 H ATOM 632 2HG GLU A 39 -6.743 6.087 -0.914 1.00 0.00 H ATOM 633 N TYR A 40 -5.315 8.424 -4.428 1.00 0.00 N ATOM 634 CA TYR A 40 -4.877 9.811 -4.531 1.00 0.00 C ATOM 635 C TYR A 40 -6.030 10.725 -4.923 1.00 0.00 C ATOM 636 O TYR A 40 -6.213 11.794 -4.341 1.00 0.00 O ATOM 637 CB TYR A 40 -3.733 9.938 -5.539 1.00 0.00 C ATOM 638 CG TYR A 40 -3.174 11.339 -5.656 1.00 0.00 C ATOM 639 CD1 TYR A 40 -2.086 11.718 -4.884 1.00 0.00 C ATOM 640 CD2 TYR A 40 -3.751 12.244 -6.534 1.00 0.00 C ATOM 641 CE1 TYR A 40 -1.576 12.998 -4.991 1.00 0.00 C ATOM 642 CE2 TYR A 40 -3.241 13.523 -6.641 1.00 0.00 C ATOM 643 CZ TYR A 40 -2.158 13.901 -5.873 1.00 0.00 C ATOM 644 OH TYR A 40 -1.650 15.175 -5.979 1.00 0.00 O ATOM 645 H TYR A 40 -4.814 7.711 -4.939 1.00 0.00 H ATOM 646 HA TYR A 40 -4.496 10.126 -3.559 1.00 0.00 H ATOM 647 1HB TYR A 40 -2.919 9.270 -5.252 1.00 0.00 H ATOM 648 2HB TYR A 40 -4.080 9.627 -6.524 1.00 0.00 H ATOM 649 HD1 TYR A 40 -1.633 11.007 -4.193 1.00 0.00 H ATOM 650 HD2 TYR A 40 -4.607 11.946 -7.140 1.00 0.00 H ATOM 651 HE1 TYR A 40 -0.721 13.296 -4.384 1.00 0.00 H ATOM 652 HE2 TYR A 40 -3.694 14.235 -7.331 1.00 0.00 H ATOM 653 HH TYR A 40 -2.144 15.661 -6.644 1.00 0.00 H ATOM 654 N GLN A 41 -6.806 10.299 -5.914 1.00 0.00 N ATOM 655 CA GLN A 41 -7.977 11.050 -6.348 1.00 0.00 C ATOM 656 C GLN A 41 -9.009 11.155 -5.233 1.00 0.00 C ATOM 657 O GLN A 41 -9.693 12.170 -5.099 1.00 0.00 O ATOM 658 CB GLN A 41 -8.606 10.398 -7.582 1.00 0.00 C ATOM 659 CG GLN A 41 -7.765 10.511 -8.842 1.00 0.00 C ATOM 660 CD GLN A 41 -8.343 9.717 -9.998 1.00 0.00 C ATOM 661 OE1 GLN A 41 -8.862 8.612 -9.812 1.00 0.00 O ATOM 662 NE2 GLN A 41 -8.259 10.275 -11.200 1.00 0.00 N ATOM 663 H GLN A 41 -6.578 9.431 -6.378 1.00 0.00 H ATOM 664 HA GLN A 41 -7.660 12.056 -6.626 1.00 0.00 H ATOM 665 1HB GLN A 41 -8.778 9.340 -7.387 1.00 0.00 H ATOM 666 2HB GLN A 41 -9.574 10.856 -7.782 1.00 0.00 H ATOM 667 1HG GLN A 41 -7.713 11.558 -9.140 1.00 0.00 H ATOM 668 2HG GLN A 41 -6.764 10.132 -8.634 1.00 0.00 H ATOM 669 1HE2 GLN A 41 -8.624 9.798 -12.000 1.00 0.00 H ATOM 670 2HE2 GLN A 41 -7.831 11.173 -11.306 1.00 0.00 H ATOM 671 N LYS A 42 -9.118 10.099 -4.433 1.00 0.00 N ATOM 672 CA LYS A 42 -10.052 10.078 -3.314 1.00 0.00 C ATOM 673 C LYS A 42 -9.552 10.944 -2.164 1.00 0.00 C ATOM 674 O LYS A 42 -10.343 11.465 -1.378 1.00 0.00 O ATOM 675 CB LYS A 42 -10.279 8.644 -2.832 1.00 0.00 C ATOM 676 CG LYS A 42 -11.063 7.772 -3.803 1.00 0.00 C ATOM 677 CD LYS A 42 -11.203 6.350 -3.279 1.00 0.00 C ATOM 678 CE LYS A 42 -12.064 5.501 -4.203 1.00 0.00 C ATOM 679 NZ LYS A 42 -12.130 4.083 -3.755 1.00 0.00 N ATOM 680 H LYS A 42 -8.539 9.289 -4.606 1.00 0.00 H ATOM 681 HA LYS A 42 -11.010 10.470 -3.655 1.00 0.00 H ATOM 682 1HB LYS A 42 -9.317 8.164 -2.652 1.00 0.00 H ATOM 683 2HB LYS A 42 -10.819 8.660 -1.885 1.00 0.00 H ATOM 684 1HG LYS A 42 -12.058 8.195 -3.951 1.00 0.00 H ATOM 685 2HG LYS A 42 -10.551 7.747 -4.765 1.00 0.00 H ATOM 686 1HD LYS A 42 -10.216 5.894 -3.195 1.00 0.00 H ATOM 687 2HD LYS A 42 -11.660 6.370 -2.290 1.00 0.00 H ATOM 688 1HE LYS A 42 -13.074 5.907 -4.234 1.00 0.00 H ATOM 689 2HE LYS A 42 -11.653 5.531 -5.212 1.00 0.00 H ATOM 690 1HZ LYS A 42 -12.708 3.555 -4.393 1.00 0.00 H ATOM 691 2HZ LYS A 42 -11.199 3.691 -3.741 1.00 0.00 H ATOM 692 3HZ LYS A 42 -12.527 4.041 -2.828 1.00 0.00 H ATOM 693 N ARG A 43 -8.235 11.093 -2.072 1.00 0.00 N ATOM 694 CA ARG A 43 -7.629 11.922 -1.036 1.00 0.00 C ATOM 695 C ARG A 43 -7.884 13.401 -1.295 1.00 0.00 C ATOM 696 O ARG A 43 -8.011 13.828 -2.442 1.00 0.00 O ATOM 697 OXT ARG A 43 -7.962 14.166 -0.374 1.00 0.00 O ATOM 698 CB ARG A 43 -6.130 11.674 -0.961 1.00 0.00 C ATOM 699 CG ARG A 43 -5.731 10.360 -0.308 1.00 0.00 C ATOM 700 CD ARG A 43 -4.290 10.062 -0.510 1.00 0.00 C ATOM 701 NE ARG A 43 -3.436 11.062 0.111 1.00 0.00 N ATOM 702 CZ ARG A 43 -2.137 11.253 -0.190 1.00 0.00 C ATOM 703 NH1 ARG A 43 -1.558 10.506 -1.104 1.00 0.00 N ATOM 704 NH2 ARG A 43 -1.445 12.191 0.433 1.00 0.00 N ATOM 705 H ARG A 43 -7.639 10.621 -2.736 1.00 0.00 H ATOM 706 HA ARG A 43 -8.082 11.665 -0.079 1.00 0.00 H ATOM 707 1HB ARG A 43 -5.709 11.683 -1.966 1.00 0.00 H ATOM 708 2HB ARG A 43 -5.655 12.479 -0.400 1.00 0.00 H ATOM 709 1HG ARG A 43 -5.923 10.413 0.764 1.00 0.00 H ATOM 710 2HG ARG A 43 -6.313 9.546 -0.741 1.00 0.00 H ATOM 711 1HD ARG A 43 -4.054 9.092 -0.072 1.00 0.00 H ATOM 712 2HD ARG A 43 -4.069 10.040 -1.577 1.00 0.00 H ATOM 713 HE ARG A 43 -3.847 11.655 0.819 1.00 0.00 H ATOM 714 1HH1 ARG A 43 -2.086 9.789 -1.580 1.00 0.00 H ATOM 715 2HH1 ARG A 43 -0.584 10.649 -1.330 1.00 0.00 H ATOM 716 1HH2 ARG A 43 -1.891 12.765 1.136 1.00 0.00 H ATOM 717 2HH2 ARG A 43 -0.472 12.334 0.207 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE nods_bigger.blueprint.43_try101_pass_20151113094127_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_intra_sol_xover4 lk_ball_wtd fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 rama omega fa_dun p_aa_pp yhh_planarity ref total weights 1 0.55 1 0.005 1 1 1 1.25 1.17 1.17 1.17 1.1 1.25 0.25 0.625 0.7 0.4 0.625 1 NA pose -217.497 23.5143 126.255 0.39914 7.00065 -0.56955 -39.0878 0.22898 -28.1371 -2.22096 -3.30883 -13.2884 0 -6.634 4.25792 57.9772 -7.84754 0.00048 -10.666 -109.623 GLU:NtermProteinFull_1 -3.91066 0.77056 2.69164 0.00966 0.36248 -0.0655 -0.39594 0.0001 0 0 0 0 0 0 0.00025 2.63802 0 0 -2.28137 -0.18076 PRO_2 -2.97467 0.63055 1.79661 0.00153 0.02047 -0.07295 -0.19805 0.04085 0 0 0 0 0 0.00125 0.09283 0.12174 -0.40334 0 -0.97642 -1.9196 GLU_3 -4.7488 0.44614 3.86266 0.00667 0.65261 0.08838 -1.67418 0 0 0 0 -0.67106 0 -0.29644 0.20466 2.92494 -0.21459 0 -2.28137 -1.70036 ALA_4 -5.56351 0.54686 1.68183 0.00082 0 -0.07717 -0.14425 0 0 0 0 0 0 -0.21171 0.1367 0 -0.22202 0 1.56209 -2.29037 ARG_5 -5.61951 0.3108 4.50915 0.01304 0.14367 0.43851 -2.25877 0 0 0 0 -1.35568 0 -0.17039 0.03673 1.99829 -0.12206 0 -0.4 -2.47622 LYS_6 -5.45472 0.39227 4.62604 0.00648 0.07434 0.02382 -1.79189 0 0 0 0 -0.67106 0 -0.17867 0.00222 1.23835 -0.05139 0 -0.47142 -2.25562 ILE_7 -5.98061 0.61111 1.28349 0.02845 0.03457 -0.00176 -0.33583 0 0 0 0 0 0 0.03738 0.00168 0.10251 -0.09606 0 2.27849 -2.03659 VAL_8 -7.45518 1.32405 0.34491 0.01899 0.02328 0 -0.48927 0 0 0 0 0 0 0.22865 0.24745 0.01466 -0.02626 0 2.2876 -3.48111 GLU_9 -5.00711 0.18253 3.88103 0.00679 0.21075 0.0501 -1.78717 0 0 0 0 -0.63992 0 -0.28434 0.00029 2.69044 -0.15006 0 -2.28137 -3.12804 LYS_10 -4.6303 0.29528 3.54475 0.00626 0.07069 -0.20638 -0.21592 0 0 0 0 0 0 -0.21276 0.02124 1.08299 -0.05354 0 -0.47142 -0.76912 LEU_11 -7.54707 1.10377 1.30882 0.01348 0.02817 -0.07007 -0.30208 0 0 0 0 0 0 -0.1268 0.08853 0.39072 -0.15346 0 1.68043 -3.58555 ILE_12 -7.29051 0.95395 2.13911 0.02984 0.03605 -0.0634 -0.49849 0 0 0 0 0 0 -0.07037 0.01851 0.15933 -0.04843 0 2.27849 -2.35592 ASN_13 -3.2152 0.39005 2.69003 0.00475 0.20581 -0.2254 -0.34395 0 0 0 0 0 0 -0.11519 0.06373 1.37078 0.05109 0 -1.09912 -0.22263 ASN_14 -3.06273 0.37063 2.45626 0.005 0.21797 -0.1674 -0.09 0 0 0 0 0 0 -0.22317 0.20958 1.65521 -0.15068 0 -1.09912 0.12155 GLY_15 -1.47141 0.33513 1.30626 2e-05 0 -0.00704 0.05252 0 0 0 0 0 0 -0.11438 0.04252 0 -1.00776 0 0.8121 -0.05204 LEU_16 -4.72455 0.65364 1.56915 0.01412 0.01725 0.0063 0.12078 0 0 0 0 0 0 -0.15243 0.42473 0.05754 -0.1945 0 1.68043 -0.52756 SER_17 -4.21081 0.96898 3.92654 0.00134 0.0546 0.03478 -1.68778 0.01107 0 0 -1.65441 -0.24706 0 -0.18825 0.13605 0.30063 -0.23 0 0.5 -2.28434 PRO_18 -4.89595 0.7436 1.59276 0.00157 0.02073 -0.09009 -0.31095 0.03993 0 0 0 0 0 0.01553 0.01241 0.10236 -0.54341 0 -0.97642 -4.28791 GLU_19 -4.8512 0.41048 4.71103 0.0067 0.61866 0.17282 -2.42084 0 0 0 0 -1.27358 0 -0.28437 0.21484 2.98188 -0.20929 0 -2.28137 -2.20424 ASP_20 -5.10579 0.45544 4.30444 0.00266 0.23351 0.03169 -1.75565 0 0 0 -1.65441 -0.24706 0 -0.21171 0.06948 2.66513 0.00344 0 -2.00354 -3.21238 VAL_21 -7.13823 1.18063 0.69567 0.01949 0.02536 -0.01005 -0.45905 0 0 0 0 0 0 -0.07151 0.1105 0.0236 -0.01368 0 2.2876 -3.34966 LYS_22 -8.05048 0.58973 5.92212 0.0066 0.07645 -0.00175 -2.55953 0 0 0 0 -0.98288 0 -0.17538 0.01788 1.34484 -0.05431 0 -0.47142 -4.33813 ARG_23 -5.01484 0.24935 4.28082 0.01838 0.27988 0.10428 -1.64889 0 0 0 0 -0.70508 0 -0.23444 0.29324 2.69473 -0.12307 0 -0.4 -0.20566 TRP_24 -8.64023 0.82119 2.5217 0.0269 0.33342 -0.16176 -0.96173 0 0 0 0 0 0 -0.11929 0.00436 1.66981 -0.07444 0 1.56226 -3.01779 ALA_25 -5.85182 0.80837 2.40063 0.00082 0 -0.00385 -0.57139 0 0 0 0 0 0 -0.23372 0.00922 0 -0.23045 0 1.56209 -2.11009 GLU_26 -4.64003 0.21952 4.89334 0.00681 0.21652 0.30972 -2.4133 0 0 0 0 -1.35958 0 -0.32516 0 2.6287 -0.16206 0 -2.28137 -2.90688 LYS_27 -3.11459 0.16072 2.36906 0.00636 0.07454 -0.14426 -0.14518 0 0 0 0 0 0 -0.25501 0.1537 0.95676 -0.06012 0 -0.47142 -0.46944 ASN_28 -4.93304 0.3548 3.56158 0.00516 0.23512 -0.38582 -0.57742 0 0 0 0 0 0 -0.36097 0.17468 2.61451 -0.40858 0 -1.09912 -0.81911 ASN_29 -2.66167 0.395 2.38452 0.00688 0.23314 -0.25129 -0.11802 0 0 0 0 0 0 -0.17952 0.15334 1.79635 -0.69095 0 -1.09912 -0.03133 ASN_30 -4.93302 1.04773 3.11808 0.00586 0.23336 -0.22246 -0.71279 0.02433 0 0 0 0 0 0.00105 0.03832 1.94527 -0.47713 0 -1.09912 -1.03054 PRO_31 -3.13079 0.58178 1.95642 0.00151 0.02054 -0.05784 -0.35456 0.11271 0 0 0 0 0 0.00434 0.11232 0.23857 -0.54426 0 -0.97642 -2.03569 GLU_32 -4.55229 0.32937 3.44154 0.0071 0.68157 0.08713 -1.66156 0 0 0 0 -0.65396 0 -0.35678 0.11471 3.06968 -0.18094 0 -2.28137 -1.95582 VAL_33 -7.00935 0.76561 -0.09059 0.01969 0.02543 -0.02491 -0.24372 0 0 0 0 0 0 -0.06328 0.26052 0.06989 -0.04395 0 2.2876 -4.04706 LYS_34 -5.65695 0.42229 3.47916 0.00863 0.11553 0.24381 -1.54866 0 0 0 0 -0.6545 0 -0.23002 0.14993 1.22463 -0.06146 0 -0.47142 -2.97904 LYS_35 -5.0497 0.34326 4.3413 0.00654 0.07534 0.06134 -1.91545 0 0 0 0 -0.65396 0 -0.1768 0.00047 1.30556 -0.04531 0 -0.47142 -2.17884 ALA_36 -4.96937 0.50343 1.78577 0.00088 0 -0.0173 -0.40734 0 0 0 0 0 0 -0.33272 0.0853 0 -0.16002 0 1.56209 -1.94927 ALA_37 -5.63087 0.55825 1.68348 0.00081 0 -0.04425 -0.31826 0 0 0 0 0 0 -0.16807 0.4327 0 -0.19699 0 1.56209 -2.12111 GLU_38 -4.96575 0.29797 4.50749 0.00969 0.27102 -0.25261 -0.9826 0 0 0 0 0 0 -0.16892 0.05108 2.70679 -0.13257 0 -2.28137 -0.93979 GLU_39 -5.75586 0.47628 5.17428 0.00685 0.2577 0.47615 -2.78492 0 0 0 0 -1.35568 0 -0.14209 0.00642 3.33975 -0.10191 0 -2.28137 -2.6844 TYR_40 -6.13065 0.68407 2.5525 0.02902 0.2143 -0.11616 0.02972 0 0 0 0 0 0 0.04903 0.04521 1.93282 -0.0237 0.00048 0.21729 -0.51606 GLN_41 -4.7527 0.28234 4.43401 0.00585 0.16705 0.16266 -1.02052 0 0 0 0 -1.17735 0 -0.21187 0.00625 2.49973 -0.1724 0 -1.60738 -1.38434 LYS_42 -3.35423 0.23555 3.01327 0.00646 0.07637 -0.18083 -0.28992 0 0 0 0 0 0 -0.32468 0.01332 0.92803 -0.06692 0 -0.47142 -0.41499 ARG:CtermProteinFull_43 -3.84015 0.3112 3.60251 0.01465 0.3624 0.06126 -0.89497 0 0 0 0 -0.63992 0 0 0 2.4917 0 0 -0.4 1.06867 #END_POSE_ENERGIES_TABLE nods_bigger.blueprint.43_try101_pass_20151113094127_0001.pdb AlaCount 4 bb -0.0516383 buried_minus_exposed 3667.63 buried_np 5253.32 buried_over_exposed 3.31295 cavity_volume 12.7423 contact_all 250 contact_core_SASA 250 contact_core_SCN 250 degree 10.3953 exposed_hydrophobics 1585.68 exposed_polars 1550.32 exposed_total 3136 fxn_exposed_is_np 0.505638 holes -0.465375 mismatch_probability 0.0769675 pack 0.747328 percent_core_SASA 0.0697512 percent_core_SCN 0.116252 res_count_core_SASA 3 res_count_core_SCN 5 sidechain_neighbors -93.294 ss_sc 0.796723 unsat_hbond 5
HHH_rd3_0244.pdb
ATOM 1 N ARG A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA ARG A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C ARG A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O ARG A 1 1.912 2.134 -0.998 1.00 0.00 O ATOM 5 CB ARG A 1 1.993 -0.748 -1.212 1.00 0.00 C ATOM 6 CG ARG A 1 3.506 -0.894 -1.256 1.00 0.00 C ATOM 7 CD ARG A 1 3.944 -1.727 -2.406 1.00 0.00 C ATOM 8 NE ARG A 1 5.389 -1.886 -2.442 1.00 0.00 N ATOM 9 CZ ARG A 1 6.050 -2.686 -3.301 1.00 0.00 C ATOM 10 NH1 ARG A 1 5.383 -3.392 -4.187 1.00 0.00 N ATOM 11 NH2 ARG A 1 7.368 -2.761 -3.253 1.00 0.00 N ATOM 12 1H ARG A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 13 2H ARG A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 14 3H ARG A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 15 HA ARG A 1 1.804 -0.499 0.904 1.00 0.00 H ATOM 16 1HB ARG A 1 1.565 -1.749 -1.240 1.00 0.00 H ATOM 17 2HB ARG A 1 1.685 -0.235 -2.122 1.00 0.00 H ATOM 18 1HG ARG A 1 3.964 0.090 -1.352 1.00 0.00 H ATOM 19 2HG ARG A 1 3.853 -1.368 -0.338 1.00 0.00 H ATOM 20 1HD ARG A 1 3.494 -2.717 -2.330 1.00 0.00 H ATOM 21 2HD ARG A 1 3.630 -1.256 -3.337 1.00 0.00 H ATOM 22 HE ARG A 1 5.936 -1.358 -1.775 1.00 0.00 H ATOM 23 1HH1 ARG A 1 4.375 -3.335 -4.223 1.00 0.00 H ATOM 24 2HH1 ARG A 1 5.878 -3.992 -4.830 1.00 0.00 H ATOM 25 1HH2 ARG A 1 7.881 -2.218 -2.572 1.00 0.00 H ATOM 26 2HH2 ARG A 1 7.863 -3.360 -3.896 1.00 0.00 H ATOM 27 N PRO A 2 2.587 1.825 1.126 1.00 0.00 N ATOM 28 CA PRO A 2 3.100 3.181 1.279 1.00 0.00 C ATOM 29 C PRO A 2 4.053 3.541 0.146 1.00 0.00 C ATOM 30 O PRO A 2 4.070 4.678 -0.325 1.00 0.00 O ATOM 31 CB PRO A 2 3.822 3.127 2.629 1.00 0.00 C ATOM 32 CG PRO A 2 3.056 2.116 3.412 1.00 0.00 C ATOM 33 CD PRO A 2 2.695 1.056 2.405 1.00 0.00 C ATOM 34 HA PRO A 2 2.257 3.874 1.260 1.00 0.00 H ATOM 35 1HB PRO A 2 4.875 2.844 2.481 1.00 0.00 H ATOM 36 2HB PRO A 2 3.819 4.122 3.098 1.00 0.00 H ATOM 37 1HG PRO A 2 3.673 1.725 4.235 1.00 0.00 H ATOM 38 2HG PRO A 2 2.172 2.582 3.872 1.00 0.00 H ATOM 39 1HD PRO A 2 3.498 0.307 2.357 1.00 0.00 H ATOM 40 2HD PRO A 2 1.742 0.587 2.691 1.00 0.00 H ATOM 41 N GLU A 3 4.845 2.566 -0.286 1.00 0.00 N ATOM 42 CA GLU A 3 5.830 2.789 -1.337 1.00 0.00 C ATOM 43 C GLU A 3 5.157 3.128 -2.661 1.00 0.00 C ATOM 44 O GLU A 3 5.611 4.009 -3.392 1.00 0.00 O ATOM 45 CB GLU A 3 6.717 1.553 -1.508 1.00 0.00 C ATOM 46 CG GLU A 3 7.660 1.291 -0.342 1.00 0.00 C ATOM 47 CD GLU A 3 8.417 -0.001 -0.480 1.00 0.00 C ATOM 48 OE1 GLU A 3 7.932 -0.882 -1.149 1.00 0.00 O ATOM 49 OE2 GLU A 3 9.480 -0.106 0.083 1.00 0.00 O ATOM 50 H GLU A 3 4.762 1.647 0.124 1.00 0.00 H ATOM 51 HA GLU A 3 6.466 3.625 -1.044 1.00 0.00 H ATOM 52 1HB GLU A 3 6.091 0.671 -1.636 1.00 0.00 H ATOM 53 2HB GLU A 3 7.321 1.660 -2.409 1.00 0.00 H ATOM 54 1HG GLU A 3 8.375 2.111 -0.274 1.00 0.00 H ATOM 55 2HG GLU A 3 7.083 1.272 0.581 1.00 0.00 H ATOM 56 N ALA A 4 4.071 2.425 -2.964 1.00 0.00 N ATOM 57 CA ALA A 4 3.321 2.664 -4.191 1.00 0.00 C ATOM 58 C ALA A 4 2.496 3.940 -4.092 1.00 0.00 C ATOM 59 O ALA A 4 2.176 4.565 -5.104 1.00 0.00 O ATOM 60 CB ALA A 4 2.423 1.476 -4.504 1.00 0.00 C ATOM 61 H ALA A 4 3.758 1.705 -2.329 1.00 0.00 H ATOM 62 HA ALA A 4 4.029 2.769 -5.015 1.00 0.00 H ATOM 63 1HB ALA A 4 1.870 1.670 -5.423 1.00 0.00 H ATOM 64 2HB ALA A 4 3.033 0.582 -4.630 1.00 0.00 H ATOM 65 3HB ALA A 4 1.723 1.325 -3.684 1.00 0.00 H ATOM 66 N THR A 5 2.153 4.324 -2.867 1.00 0.00 N ATOM 67 CA THR A 5 1.503 5.605 -2.618 1.00 0.00 C ATOM 68 C THR A 5 2.408 6.766 -3.009 1.00 0.00 C ATOM 69 O THR A 5 1.981 7.695 -3.695 1.00 0.00 O ATOM 70 CB THR A 5 1.094 5.741 -1.140 1.00 0.00 C ATOM 71 OG1 THR A 5 0.146 4.719 -0.807 1.00 0.00 O ATOM 72 CG2 THR A 5 0.474 7.106 -0.882 1.00 0.00 C ATOM 73 H THR A 5 2.348 3.712 -2.087 1.00 0.00 H ATOM 74 HA THR A 5 0.593 5.653 -3.218 1.00 0.00 H ATOM 75 HB THR A 5 1.973 5.623 -0.507 1.00 0.00 H ATOM 76 HG1 THR A 5 0.478 3.867 -1.102 1.00 0.00 H ATOM 77 1HG2 THR A 5 0.191 7.185 0.168 1.00 0.00 H ATOM 78 2HG2 THR A 5 1.196 7.886 -1.123 1.00 0.00 H ATOM 79 3HG2 THR A 5 -0.411 7.227 -1.505 1.00 0.00 H ATOM 80 N ASP A 6 3.659 6.709 -2.567 1.00 0.00 N ATOM 81 CA ASP A 6 4.645 7.721 -2.926 1.00 0.00 C ATOM 82 C ASP A 6 4.834 7.796 -4.435 1.00 0.00 C ATOM 83 O ASP A 6 4.941 8.882 -5.004 1.00 0.00 O ATOM 84 CB ASP A 6 5.987 7.426 -2.251 1.00 0.00 C ATOM 85 CG ASP A 6 5.968 7.687 -0.751 1.00 0.00 C ATOM 86 OD1 ASP A 6 5.090 8.385 -0.301 1.00 0.00 O ATOM 87 OD2 ASP A 6 6.830 7.187 -0.070 1.00 0.00 O ATOM 88 H ASP A 6 3.935 5.945 -1.967 1.00 0.00 H ATOM 89 HA ASP A 6 4.293 8.690 -2.569 1.00 0.00 H ATOM 90 1HB ASP A 6 6.258 6.383 -2.420 1.00 0.00 H ATOM 91 2HB ASP A 6 6.765 8.043 -2.703 1.00 0.00 H ATOM 92 N LEU A 7 4.874 6.634 -5.079 1.00 0.00 N ATOM 93 CA LEU A 7 4.928 6.567 -6.535 1.00 0.00 C ATOM 94 C LEU A 7 3.727 7.261 -7.163 1.00 0.00 C ATOM 95 O LEU A 7 3.876 8.094 -8.056 1.00 0.00 O ATOM 96 CB LEU A 7 4.982 5.105 -6.996 1.00 0.00 C ATOM 97 CG LEU A 7 4.907 4.882 -8.512 1.00 0.00 C ATOM 98 CD1 LEU A 7 6.100 5.549 -9.183 1.00 0.00 C ATOM 99 CD2 LEU A 7 4.878 3.390 -8.805 1.00 0.00 C ATOM 100 H LEU A 7 4.867 5.776 -4.547 1.00 0.00 H ATOM 101 HA LEU A 7 5.837 7.068 -6.871 1.00 0.00 H ATOM 102 1HB LEU A 7 5.912 4.663 -6.642 1.00 0.00 H ATOM 103 2HB LEU A 7 4.151 4.566 -6.540 1.00 0.00 H ATOM 104 HG LEU A 7 4.001 5.347 -8.903 1.00 0.00 H ATOM 105 1HD1 LEU A 7 6.046 5.391 -10.260 1.00 0.00 H ATOM 106 2HD1 LEU A 7 6.085 6.619 -8.973 1.00 0.00 H ATOM 107 3HD1 LEU A 7 7.022 5.116 -8.799 1.00 0.00 H ATOM 108 1HD2 LEU A 7 4.823 3.232 -9.883 1.00 0.00 H ATOM 109 2HD2 LEU A 7 5.783 2.925 -8.415 1.00 0.00 H ATOM 110 3HD2 LEU A 7 4.005 2.942 -8.329 1.00 0.00 H ATOM 111 N ALA A 8 2.535 6.911 -6.692 1.00 0.00 N ATOM 112 CA ALA A 8 1.304 7.489 -7.217 1.00 0.00 C ATOM 113 C ALA A 8 1.333 9.010 -7.141 1.00 0.00 C ATOM 114 O ALA A 8 0.886 9.696 -8.060 1.00 0.00 O ATOM 115 CB ALA A 8 0.099 6.945 -6.463 1.00 0.00 C ATOM 116 H ALA A 8 2.480 6.227 -5.950 1.00 0.00 H ATOM 117 HA ALA A 8 1.200 7.193 -8.261 1.00 0.00 H ATOM 118 1HB ALA A 8 -0.813 7.386 -6.866 1.00 0.00 H ATOM 119 2HB ALA A 8 0.058 5.862 -6.575 1.00 0.00 H ATOM 120 3HB ALA A 8 0.187 7.197 -5.407 1.00 0.00 H ATOM 121 N ARG A 9 1.862 9.532 -6.040 1.00 0.00 N ATOM 122 CA ARG A 9 1.999 10.973 -5.864 1.00 0.00 C ATOM 123 C ARG A 9 2.907 11.574 -6.930 1.00 0.00 C ATOM 124 O ARG A 9 2.588 12.606 -7.521 1.00 0.00 O ATOM 125 CB ARG A 9 2.559 11.294 -4.486 1.00 0.00 C ATOM 126 CG ARG A 9 2.557 12.771 -4.123 1.00 0.00 C ATOM 127 CD ARG A 9 2.978 12.991 -2.716 1.00 0.00 C ATOM 128 NE ARG A 9 2.115 12.293 -1.776 1.00 0.00 N ATOM 129 CZ ARG A 9 2.493 11.237 -1.029 1.00 0.00 C ATOM 130 NH1 ARG A 9 3.719 10.771 -1.123 1.00 0.00 N ATOM 131 NH2 ARG A 9 1.632 10.671 -0.202 1.00 0.00 N ATOM 132 H ARG A 9 2.178 8.915 -5.305 1.00 0.00 H ATOM 133 HA ARG A 9 1.012 11.428 -5.949 1.00 0.00 H ATOM 134 1HB ARG A 9 1.982 10.767 -3.728 1.00 0.00 H ATOM 135 2HB ARG A 9 3.588 10.940 -4.420 1.00 0.00 H ATOM 136 1HG ARG A 9 3.247 13.307 -4.775 1.00 0.00 H ATOM 137 2HG ARG A 9 1.552 13.175 -4.248 1.00 0.00 H ATOM 138 1HD ARG A 9 3.996 12.626 -2.579 1.00 0.00 H ATOM 139 2HD ARG A 9 2.941 14.055 -2.487 1.00 0.00 H ATOM 140 HE ARG A 9 1.165 12.623 -1.676 1.00 0.00 H ATOM 141 1HH1 ARG A 9 4.377 11.203 -1.755 1.00 0.00 H ATOM 142 2HH1 ARG A 9 4.002 9.979 -0.563 1.00 0.00 H ATOM 143 1HH2 ARG A 9 0.690 11.030 -0.130 1.00 0.00 H ATOM 144 2HH2 ARG A 9 1.915 9.880 0.358 1.00 0.00 H ATOM 145 N LYS A 10 4.039 10.922 -7.172 1.00 0.00 N ATOM 146 CA LYS A 10 4.957 11.345 -8.223 1.00 0.00 C ATOM 147 C LYS A 10 4.298 11.266 -9.594 1.00 0.00 C ATOM 148 O LYS A 10 4.474 12.152 -10.430 1.00 0.00 O ATOM 149 CB LYS A 10 6.227 10.492 -8.200 1.00 0.00 C ATOM 150 CG LYS A 10 7.125 10.734 -6.994 1.00 0.00 C ATOM 151 CD LYS A 10 8.333 9.810 -7.011 1.00 0.00 C ATOM 152 CE LYS A 10 9.216 10.029 -5.791 1.00 0.00 C ATOM 153 NZ LYS A 10 10.385 9.108 -5.777 1.00 0.00 N ATOM 154 H LYS A 10 4.270 10.113 -6.613 1.00 0.00 H ATOM 155 HA LYS A 10 5.247 12.379 -8.034 1.00 0.00 H ATOM 156 1HB LYS A 10 5.956 9.436 -8.210 1.00 0.00 H ATOM 157 2HB LYS A 10 6.813 10.688 -9.098 1.00 0.00 H ATOM 158 1HG LYS A 10 7.469 11.769 -6.998 1.00 0.00 H ATOM 159 2HG LYS A 10 6.559 10.562 -6.079 1.00 0.00 H ATOM 160 1HD LYS A 10 7.997 8.772 -7.024 1.00 0.00 H ATOM 161 2HD LYS A 10 8.920 9.995 -7.910 1.00 0.00 H ATOM 162 1HE LYS A 10 9.577 11.056 -5.784 1.00 0.00 H ATOM 163 2HE LYS A 10 8.631 9.867 -4.885 1.00 0.00 H ATOM 164 1HZ LYS A 10 10.943 9.285 -4.954 1.00 0.00 H ATOM 165 2HZ LYS A 10 10.060 8.152 -5.764 1.00 0.00 H ATOM 166 3HZ LYS A 10 10.945 9.262 -6.603 1.00 0.00 H ATOM 167 N LEU A 11 3.538 10.199 -9.820 1.00 0.00 N ATOM 168 CA LEU A 11 2.849 10.004 -11.090 1.00 0.00 C ATOM 169 C LEU A 11 1.823 11.103 -11.334 1.00 0.00 C ATOM 170 O LEU A 11 1.682 11.597 -12.453 1.00 0.00 O ATOM 171 CB LEU A 11 2.157 8.636 -11.112 1.00 0.00 C ATOM 172 CG LEU A 11 3.090 7.419 -11.151 1.00 0.00 C ATOM 173 CD1 LEU A 11 2.277 6.148 -10.945 1.00 0.00 C ATOM 174 CD2 LEU A 11 3.827 7.387 -12.481 1.00 0.00 C ATOM 175 H LEU A 11 3.436 9.506 -9.093 1.00 0.00 H ATOM 176 HA LEU A 11 3.587 10.031 -11.892 1.00 0.00 H ATOM 177 1HB LEU A 11 1.534 8.547 -10.223 1.00 0.00 H ATOM 178 2HB LEU A 11 1.512 8.587 -11.989 1.00 0.00 H ATOM 179 HG LEU A 11 3.812 7.488 -10.337 1.00 0.00 H ATOM 180 1HD1 LEU A 11 2.940 5.283 -10.973 1.00 0.00 H ATOM 181 2HD1 LEU A 11 1.776 6.189 -9.978 1.00 0.00 H ATOM 182 3HD1 LEU A 11 1.533 6.060 -11.736 1.00 0.00 H ATOM 183 1HD2 LEU A 11 4.491 6.522 -12.509 1.00 0.00 H ATOM 184 2HD2 LEU A 11 3.106 7.316 -13.296 1.00 0.00 H ATOM 185 3HD2 LEU A 11 4.414 8.298 -12.594 1.00 0.00 H ATOM 186 N LEU A 12 1.107 11.483 -10.280 1.00 0.00 N ATOM 187 CA LEU A 12 0.173 12.599 -10.351 1.00 0.00 C ATOM 188 C LEU A 12 0.885 13.890 -10.732 1.00 0.00 C ATOM 189 O LEU A 12 0.389 14.666 -11.550 1.00 0.00 O ATOM 190 CB LEU A 12 -0.540 12.779 -9.005 1.00 0.00 C ATOM 191 CG LEU A 12 -1.576 11.704 -8.651 1.00 0.00 C ATOM 192 CD1 LEU A 12 -1.981 11.850 -7.191 1.00 0.00 C ATOM 193 CD2 LEU A 12 -2.781 11.839 -9.570 1.00 0.00 C ATOM 194 H LEU A 12 1.214 10.984 -9.408 1.00 0.00 H ATOM 195 HA LEU A 12 -0.577 12.375 -11.111 1.00 0.00 H ATOM 196 1HB LEU A 12 0.208 12.791 -8.214 1.00 0.00 H ATOM 197 2HB LEU A 12 -1.050 13.743 -9.008 1.00 0.00 H ATOM 198 HG LEU A 12 -1.132 10.716 -8.777 1.00 0.00 H ATOM 199 1HD1 LEU A 12 -2.717 11.086 -6.939 1.00 0.00 H ATOM 200 2HD1 LEU A 12 -1.104 11.731 -6.556 1.00 0.00 H ATOM 201 3HD1 LEU A 12 -2.414 12.837 -7.031 1.00 0.00 H ATOM 202 1HD2 LEU A 12 -3.517 11.074 -9.319 1.00 0.00 H ATOM 203 2HD2 LEU A 12 -3.227 12.826 -9.444 1.00 0.00 H ATOM 204 3HD2 LEU A 12 -2.465 11.712 -10.605 1.00 0.00 H ATOM 205 N LYS A 13 2.051 14.116 -10.136 1.00 0.00 N ATOM 206 CA LYS A 13 2.853 15.294 -10.443 1.00 0.00 C ATOM 207 C LYS A 13 3.387 15.241 -11.868 1.00 0.00 C ATOM 208 O LYS A 13 3.678 16.274 -12.471 1.00 0.00 O ATOM 209 CB LYS A 13 4.011 15.426 -9.452 1.00 0.00 C ATOM 210 CG LYS A 13 3.589 15.799 -8.037 1.00 0.00 C ATOM 211 CD LYS A 13 4.789 15.885 -7.107 1.00 0.00 C ATOM 212 CE LYS A 13 4.372 16.283 -5.699 1.00 0.00 C ATOM 213 NZ LYS A 13 5.536 16.365 -4.776 1.00 0.00 N ATOM 214 H LYS A 13 2.390 13.454 -9.453 1.00 0.00 H ATOM 215 HA LYS A 13 2.224 16.178 -10.338 1.00 0.00 H ATOM 216 1HB LYS A 13 4.555 14.483 -9.401 1.00 0.00 H ATOM 217 2HB LYS A 13 4.707 16.187 -9.805 1.00 0.00 H ATOM 218 1HG LYS A 13 3.082 16.765 -8.052 1.00 0.00 H ATOM 219 2HG LYS A 13 2.896 15.051 -7.655 1.00 0.00 H ATOM 220 1HD LYS A 13 5.290 14.916 -7.068 1.00 0.00 H ATOM 221 2HD LYS A 13 5.494 16.623 -7.489 1.00 0.00 H ATOM 222 1HE LYS A 13 3.877 17.253 -5.727 1.00 0.00 H ATOM 223 2HE LYS A 13 3.666 15.551 -5.308 1.00 0.00 H ATOM 224 1HZ LYS A 13 5.218 16.631 -3.854 1.00 0.00 H ATOM 225 2HZ LYS A 13 5.993 15.465 -4.727 1.00 0.00 H ATOM 226 3HZ LYS A 13 6.190 17.055 -5.118 1.00 0.00 H ATOM 227 N ASN A 14 3.513 14.031 -12.403 1.00 0.00 N ATOM 228 CA ASN A 14 4.039 13.839 -13.749 1.00 0.00 C ATOM 229 C ASN A 14 2.929 13.909 -14.789 1.00 0.00 C ATOM 230 O ASN A 14 3.163 13.687 -15.977 1.00 0.00 O ATOM 231 CB ASN A 14 4.782 12.520 -13.849 1.00 0.00 C ATOM 232 CG ASN A 14 6.073 12.524 -13.078 1.00 0.00 C ATOM 233 OD1 ASN A 14 6.729 13.563 -12.947 1.00 0.00 O ATOM 234 ND2 ASN A 14 6.450 11.380 -12.565 1.00 0.00 N ATOM 235 H ASN A 14 3.238 13.223 -11.863 1.00 0.00 H ATOM 236 HA ASN A 14 4.747 14.642 -13.962 1.00 0.00 H ATOM 237 1HB ASN A 14 4.149 11.716 -13.472 1.00 0.00 H ATOM 238 2HB ASN A 14 4.999 12.302 -14.895 1.00 0.00 H ATOM 239 1HD2 ASN A 14 7.301 11.323 -12.042 1.00 0.00 H ATOM 240 2HD2 ASN A 14 5.888 10.564 -12.696 1.00 0.00 H ATOM 241 N GLY A 15 1.719 14.220 -14.336 1.00 0.00 N ATOM 242 CA GLY A 15 0.588 14.404 -15.237 1.00 0.00 C ATOM 243 C GLY A 15 0.018 13.065 -15.687 1.00 0.00 C ATOM 244 O GLY A 15 -0.560 12.957 -16.769 1.00 0.00 O ATOM 245 H GLY A 15 1.580 14.331 -13.342 1.00 0.00 H ATOM 246 1HA GLY A 15 -0.188 14.983 -14.734 1.00 0.00 H ATOM 247 2HA GLY A 15 0.904 14.979 -16.106 1.00 0.00 H ATOM 248 N ILE A 16 0.185 12.046 -14.851 1.00 0.00 N ATOM 249 CA ILE A 16 -0.316 10.712 -15.160 1.00 0.00 C ATOM 250 C ILE A 16 -1.716 10.505 -14.597 1.00 0.00 C ATOM 251 O ILE A 16 -1.979 10.809 -13.433 1.00 0.00 O ATOM 252 CB ILE A 16 0.627 9.629 -14.604 1.00 0.00 C ATOM 253 CG1 ILE A 16 2.050 9.841 -15.125 1.00 0.00 C ATOM 254 CG2 ILE A 16 0.122 8.243 -14.974 1.00 0.00 C ATOM 255 CD1 ILE A 16 2.158 9.818 -16.633 1.00 0.00 C ATOM 256 H ILE A 16 0.671 12.199 -13.979 1.00 0.00 H ATOM 257 HA ILE A 16 -0.365 10.603 -16.243 1.00 0.00 H ATOM 258 HB ILE A 16 0.673 9.710 -13.518 1.00 0.00 H ATOM 259 1HG1 ILE A 16 2.428 10.799 -14.770 1.00 0.00 H ATOM 260 2HG1 ILE A 16 2.704 9.065 -14.726 1.00 0.00 H ATOM 261 1HG2 ILE A 16 0.800 7.489 -14.574 1.00 0.00 H ATOM 262 2HG2 ILE A 16 -0.873 8.094 -14.556 1.00 0.00 H ATOM 263 3HG2 ILE A 16 0.077 8.150 -16.060 1.00 0.00 H ATOM 264 1HD1 ILE A 16 3.197 9.975 -16.926 1.00 0.00 H ATOM 265 2HD1 ILE A 16 1.817 8.853 -17.008 1.00 0.00 H ATOM 266 3HD1 ILE A 16 1.540 10.610 -17.053 1.00 0.00 H ATOM 267 N SER A 17 -2.612 9.986 -15.429 1.00 0.00 N ATOM 268 CA SER A 17 -4.018 9.863 -15.062 1.00 0.00 C ATOM 269 C SER A 17 -4.216 8.798 -13.991 1.00 0.00 C ATOM 270 O SER A 17 -3.386 7.902 -13.832 1.00 0.00 O ATOM 271 CB SER A 17 -4.849 9.524 -16.284 1.00 0.00 C ATOM 272 OG SER A 17 -4.557 8.235 -16.748 1.00 0.00 O ATOM 273 H SER A 17 -2.312 9.670 -16.340 1.00 0.00 H ATOM 274 HA SER A 17 -4.354 10.816 -14.654 1.00 0.00 H ATOM 275 1HB SER A 17 -5.908 9.592 -16.034 1.00 0.00 H ATOM 276 2HB SER A 17 -4.652 10.251 -17.071 1.00 0.00 H ATOM 277 HG SER A 17 -3.704 8.298 -17.186 1.00 0.00 H ATOM 278 N GLU A 18 -5.319 8.901 -13.258 1.00 0.00 N ATOM 279 CA GLU A 18 -5.629 7.945 -12.201 1.00 0.00 C ATOM 280 C GLU A 18 -5.740 6.530 -12.753 1.00 0.00 C ATOM 281 O GLU A 18 -5.273 5.573 -12.135 1.00 0.00 O ATOM 282 CB GLU A 18 -6.931 8.332 -11.496 1.00 0.00 C ATOM 283 CG GLU A 18 -6.841 9.603 -10.663 1.00 0.00 C ATOM 284 CD GLU A 18 -8.167 10.022 -10.091 1.00 0.00 C ATOM 285 OE1 GLU A 18 -9.144 9.366 -10.363 1.00 0.00 O ATOM 286 OE2 GLU A 18 -8.202 10.999 -9.381 1.00 0.00 O ATOM 287 H GLU A 18 -5.960 9.660 -13.437 1.00 0.00 H ATOM 288 HA GLU A 18 -4.824 7.970 -11.465 1.00 0.00 H ATOM 289 1HB GLU A 18 -7.718 8.473 -12.238 1.00 0.00 H ATOM 290 2HB GLU A 18 -7.243 7.521 -10.838 1.00 0.00 H ATOM 291 1HG GLU A 18 -6.141 9.439 -9.845 1.00 0.00 H ATOM 292 2HG GLU A 18 -6.449 10.406 -11.286 1.00 0.00 H ATOM 293 N ASP A 19 -6.362 6.403 -13.921 1.00 0.00 N ATOM 294 CA ASP A 19 -6.501 5.109 -14.579 1.00 0.00 C ATOM 295 C ASP A 19 -5.141 4.477 -14.843 1.00 0.00 C ATOM 296 O ASP A 19 -4.926 3.300 -14.555 1.00 0.00 O ATOM 297 CB ASP A 19 -7.267 5.256 -15.895 1.00 0.00 C ATOM 298 CG ASP A 19 -8.746 5.556 -15.690 1.00 0.00 C ATOM 299 OD1 ASP A 19 -9.226 5.362 -14.599 1.00 0.00 O ATOM 300 OD2 ASP A 19 -9.382 5.977 -16.627 1.00 0.00 O ATOM 301 H ASP A 19 -6.748 7.224 -14.364 1.00 0.00 H ATOM 302 HA ASP A 19 -7.072 4.449 -13.925 1.00 0.00 H ATOM 303 1HB ASP A 19 -6.827 6.061 -16.485 1.00 0.00 H ATOM 304 2HB ASP A 19 -7.175 4.337 -16.475 1.00 0.00 H ATOM 305 N GLU A 20 -4.224 5.266 -15.394 1.00 0.00 N ATOM 306 CA GLU A 20 -2.864 4.803 -15.643 1.00 0.00 C ATOM 307 C GLU A 20 -2.166 4.421 -14.344 1.00 0.00 C ATOM 308 O GLU A 20 -1.477 3.403 -14.275 1.00 0.00 O ATOM 309 CB GLU A 20 -2.058 5.882 -16.369 1.00 0.00 C ATOM 310 CG GLU A 20 -2.440 6.077 -17.829 1.00 0.00 C ATOM 311 CD GLU A 20 -1.821 7.305 -18.437 1.00 0.00 C ATOM 312 OE1 GLU A 20 -2.025 8.373 -17.910 1.00 0.00 O ATOM 313 OE2 GLU A 20 -1.143 7.175 -19.429 1.00 0.00 O ATOM 314 H GLU A 20 -4.476 6.211 -15.646 1.00 0.00 H ATOM 315 HA GLU A 20 -2.911 3.924 -16.287 1.00 0.00 H ATOM 316 1HB GLU A 20 -2.186 6.837 -15.859 1.00 0.00 H ATOM 317 2HB GLU A 20 -0.998 5.631 -16.331 1.00 0.00 H ATOM 318 1HG GLU A 20 -2.121 5.204 -18.397 1.00 0.00 H ATOM 319 2HG GLU A 20 -3.524 6.148 -17.903 1.00 0.00 H ATOM 320 N ILE A 21 -2.348 5.243 -13.316 1.00 0.00 N ATOM 321 CA ILE A 21 -1.709 5.010 -12.027 1.00 0.00 C ATOM 322 C ILE A 21 -2.180 3.700 -11.408 1.00 0.00 C ATOM 323 O ILE A 21 -1.373 2.905 -10.926 1.00 0.00 O ATOM 324 CB ILE A 21 -1.995 6.169 -11.055 1.00 0.00 C ATOM 325 CG1 ILE A 21 -1.298 7.447 -11.529 1.00 0.00 C ATOM 326 CG2 ILE A 21 -1.548 5.806 -9.647 1.00 0.00 C ATOM 327 CD1 ILE A 21 -1.745 8.693 -10.799 1.00 0.00 C ATOM 328 H ILE A 21 -2.943 6.050 -13.432 1.00 0.00 H ATOM 329 HA ILE A 21 -0.631 4.957 -12.179 1.00 0.00 H ATOM 330 HB ILE A 21 -3.064 6.380 -11.044 1.00 0.00 H ATOM 331 1HG1 ILE A 21 -0.221 7.344 -11.399 1.00 0.00 H ATOM 332 2HG1 ILE A 21 -1.486 7.591 -12.593 1.00 0.00 H ATOM 333 1HG2 ILE A 21 -1.757 6.637 -8.973 1.00 0.00 H ATOM 334 2HG2 ILE A 21 -2.088 4.922 -9.311 1.00 0.00 H ATOM 335 3HG2 ILE A 21 -0.478 5.599 -9.647 1.00 0.00 H ATOM 336 1HD1 ILE A 21 -1.207 9.557 -11.190 1.00 0.00 H ATOM 337 2HD1 ILE A 21 -2.816 8.836 -10.945 1.00 0.00 H ATOM 338 3HD1 ILE A 21 -1.534 8.587 -9.736 1.00 0.00 H ATOM 339 N ARG A 22 -3.490 3.481 -11.424 1.00 0.00 N ATOM 340 CA ARG A 22 -4.071 2.267 -10.862 1.00 0.00 C ATOM 341 C ARG A 22 -3.437 1.022 -11.468 1.00 0.00 C ATOM 342 O ARG A 22 -3.110 0.072 -10.757 1.00 0.00 O ATOM 343 CB ARG A 22 -5.574 2.234 -11.099 1.00 0.00 C ATOM 344 CG ARG A 22 -6.378 3.197 -10.240 1.00 0.00 C ATOM 345 CD ARG A 22 -7.840 3.017 -10.435 1.00 0.00 C ATOM 346 NE ARG A 22 -8.607 4.062 -9.776 1.00 0.00 N ATOM 347 CZ ARG A 22 -9.120 5.142 -10.398 1.00 0.00 C ATOM 348 NH1 ARG A 22 -8.939 5.304 -11.690 1.00 0.00 N ATOM 349 NH2 ARG A 22 -9.805 6.038 -9.709 1.00 0.00 N ATOM 350 H ARG A 22 -4.100 4.173 -11.836 1.00 0.00 H ATOM 351 HA ARG A 22 -3.892 2.264 -9.787 1.00 0.00 H ATOM 352 1HB ARG A 22 -5.783 2.470 -12.142 1.00 0.00 H ATOM 353 2HB ARG A 22 -5.950 1.229 -10.909 1.00 0.00 H ATOM 354 1HG ARG A 22 -6.149 3.024 -9.188 1.00 0.00 H ATOM 355 2HG ARG A 22 -6.121 4.223 -10.504 1.00 0.00 H ATOM 356 1HD ARG A 22 -8.071 3.044 -11.499 1.00 0.00 H ATOM 357 2HD ARG A 22 -8.147 2.057 -10.021 1.00 0.00 H ATOM 358 HE ARG A 22 -8.768 3.972 -8.782 1.00 0.00 H ATOM 359 1HH1 ARG A 22 -8.415 4.619 -12.217 1.00 0.00 H ATOM 360 2HH1 ARG A 22 -9.323 6.113 -12.156 1.00 0.00 H ATOM 361 1HH2 ARG A 22 -9.944 5.913 -8.716 1.00 0.00 H ATOM 362 2HH2 ARG A 22 -10.189 6.846 -10.175 1.00 0.00 H ATOM 363 N GLU A 23 -3.267 1.032 -12.786 1.00 0.00 N ATOM 364 CA GLU A 23 -2.664 -0.094 -13.489 1.00 0.00 C ATOM 365 C GLU A 23 -1.199 -0.262 -13.107 1.00 0.00 C ATOM 366 O GLU A 23 -0.717 -1.381 -12.930 1.00 0.00 O ATOM 367 CB GLU A 23 -2.788 0.094 -15.002 1.00 0.00 C ATOM 368 CG GLU A 23 -4.217 0.056 -15.525 1.00 0.00 C ATOM 369 CD GLU A 23 -4.911 -1.246 -15.237 1.00 0.00 C ATOM 370 OE1 GLU A 23 -4.293 -2.273 -15.388 1.00 0.00 O ATOM 371 OE2 GLU A 23 -6.061 -1.214 -14.866 1.00 0.00 O ATOM 372 H GLU A 23 -3.562 1.841 -13.314 1.00 0.00 H ATOM 373 HA GLU A 23 -3.203 -1.002 -13.214 1.00 0.00 H ATOM 374 1HB GLU A 23 -2.353 1.052 -15.287 1.00 0.00 H ATOM 375 2HB GLU A 23 -2.224 -0.687 -15.513 1.00 0.00 H ATOM 376 1HG GLU A 23 -4.783 0.865 -15.065 1.00 0.00 H ATOM 377 2HG GLU A 23 -4.204 0.225 -16.601 1.00 0.00 H ATOM 378 N ILE A 24 -0.494 0.858 -12.980 1.00 0.00 N ATOM 379 CA ILE A 24 0.890 0.844 -12.523 1.00 0.00 C ATOM 380 C ILE A 24 0.999 0.276 -11.113 1.00 0.00 C ATOM 381 O ILE A 24 1.895 -0.515 -10.820 1.00 0.00 O ATOM 382 CB ILE A 24 1.494 2.260 -12.555 1.00 0.00 C ATOM 383 CG1 ILE A 24 1.654 2.739 -14.000 1.00 0.00 C ATOM 384 CG2 ILE A 24 2.831 2.285 -11.831 1.00 0.00 C ATOM 385 CD1 ILE A 24 1.929 4.221 -14.125 1.00 0.00 C ATOM 386 H ILE A 24 -0.928 1.741 -13.207 1.00 0.00 H ATOM 387 HA ILE A 24 1.472 0.215 -13.199 1.00 0.00 H ATOM 388 HB ILE A 24 0.813 2.956 -12.066 1.00 0.00 H ATOM 389 1HG1 ILE A 24 2.474 2.199 -14.473 1.00 0.00 H ATOM 390 2HG1 ILE A 24 0.748 2.513 -14.561 1.00 0.00 H ATOM 391 1HG2 ILE A 24 3.244 3.293 -11.863 1.00 0.00 H ATOM 392 2HG2 ILE A 24 2.688 1.985 -10.793 1.00 0.00 H ATOM 393 3HG2 ILE A 24 3.521 1.594 -12.316 1.00 0.00 H ATOM 394 1HD1 ILE A 24 2.030 4.484 -15.178 1.00 0.00 H ATOM 395 2HD1 ILE A 24 1.102 4.782 -13.688 1.00 0.00 H ATOM 396 3HD1 ILE A 24 2.851 4.465 -13.600 1.00 0.00 H ATOM 397 N LEU A 25 0.082 0.686 -10.244 1.00 0.00 N ATOM 398 CA LEU A 25 0.108 0.265 -8.848 1.00 0.00 C ATOM 399 C LEU A 25 -0.225 -1.215 -8.712 1.00 0.00 C ATOM 400 O LEU A 25 0.423 -1.939 -7.956 1.00 0.00 O ATOM 401 CB LEU A 25 -0.886 1.096 -8.026 1.00 0.00 C ATOM 402 CG LEU A 25 -0.300 2.327 -7.321 1.00 0.00 C ATOM 403 CD1 LEU A 25 0.625 3.068 -8.277 1.00 0.00 C ATOM 404 CD2 LEU A 25 -1.432 3.227 -6.848 1.00 0.00 C ATOM 405 H LEU A 25 -0.653 1.304 -10.558 1.00 0.00 H ATOM 406 HA LEU A 25 1.110 0.437 -8.454 1.00 0.00 H ATOM 407 1HB LEU A 25 -1.681 1.439 -8.686 1.00 0.00 H ATOM 408 2HB LEU A 25 -1.326 0.456 -7.262 1.00 0.00 H ATOM 409 HG LEU A 25 0.292 2.008 -6.464 1.00 0.00 H ATOM 410 1HD1 LEU A 25 1.041 3.942 -7.777 1.00 0.00 H ATOM 411 2HD1 LEU A 25 1.435 2.407 -8.585 1.00 0.00 H ATOM 412 3HD1 LEU A 25 0.062 3.386 -9.155 1.00 0.00 H ATOM 413 1HD2 LEU A 25 -1.016 4.101 -6.347 1.00 0.00 H ATOM 414 2HD2 LEU A 25 -2.025 3.548 -7.705 1.00 0.00 H ATOM 415 3HD2 LEU A 25 -2.067 2.678 -6.153 1.00 0.00 H ATOM 416 N LYS A 26 -1.237 -1.659 -9.449 1.00 0.00 N ATOM 417 CA LYS A 26 -1.669 -3.051 -9.399 1.00 0.00 C ATOM 418 C LYS A 26 -0.560 -3.989 -9.858 1.00 0.00 C ATOM 419 O LYS A 26 -0.441 -5.112 -9.368 1.00 0.00 O ATOM 420 CB LYS A 26 -2.919 -3.255 -10.256 1.00 0.00 C ATOM 421 CG LYS A 26 -4.202 -2.718 -9.636 1.00 0.00 C ATOM 422 CD LYS A 26 -5.422 -3.130 -10.446 1.00 0.00 C ATOM 423 CE LYS A 26 -5.489 -2.380 -11.768 1.00 0.00 C ATOM 424 NZ LYS A 26 -6.728 -2.699 -12.527 1.00 0.00 N ATOM 425 H LYS A 26 -1.720 -1.016 -10.060 1.00 0.00 H ATOM 426 HA LYS A 26 -1.929 -3.295 -8.368 1.00 0.00 H ATOM 427 1HB LYS A 26 -2.783 -2.765 -11.220 1.00 0.00 H ATOM 428 2HB LYS A 26 -3.059 -4.319 -10.447 1.00 0.00 H ATOM 429 1HG LYS A 26 -4.304 -3.103 -8.620 1.00 0.00 H ATOM 430 2HG LYS A 26 -4.157 -1.631 -9.590 1.00 0.00 H ATOM 431 1HD LYS A 26 -5.380 -4.202 -10.647 1.00 0.00 H ATOM 432 2HD LYS A 26 -6.326 -2.921 -9.874 1.00 0.00 H ATOM 433 1HE LYS A 26 -5.459 -1.308 -11.579 1.00 0.00 H ATOM 434 2HE LYS A 26 -4.626 -2.642 -12.379 1.00 0.00 H ATOM 435 1HZ LYS A 26 -6.734 -2.183 -13.395 1.00 0.00 H ATOM 436 2HZ LYS A 26 -6.757 -3.690 -12.724 1.00 0.00 H ATOM 437 3HZ LYS A 26 -7.536 -2.442 -11.978 1.00 0.00 H ATOM 438 N SER A 27 0.251 -3.521 -10.800 1.00 0.00 N ATOM 439 CA SER A 27 1.364 -4.310 -11.314 1.00 0.00 C ATOM 440 C SER A 27 2.432 -4.517 -10.248 1.00 0.00 C ATOM 441 O SER A 27 3.310 -5.368 -10.391 1.00 0.00 O ATOM 442 CB SER A 27 1.972 -3.629 -12.525 1.00 0.00 C ATOM 443 OG SER A 27 2.747 -2.526 -12.145 1.00 0.00 O ATOM 444 H SER A 27 0.093 -2.595 -11.171 1.00 0.00 H ATOM 445 HA SER A 27 0.984 -5.285 -11.622 1.00 0.00 H ATOM 446 1HB SER A 27 2.591 -4.342 -13.071 1.00 0.00 H ATOM 447 2HB SER A 27 1.178 -3.305 -13.197 1.00 0.00 H ATOM 448 HG SER A 27 2.173 -1.971 -11.612 1.00 0.00 H ATOM 449 N LEU A 28 2.352 -3.733 -9.178 1.00 0.00 N ATOM 450 CA LEU A 28 3.299 -3.844 -8.075 1.00 0.00 C ATOM 451 C LEU A 28 2.819 -4.849 -7.036 1.00 0.00 C ATOM 452 O LEU A 28 3.538 -5.169 -6.089 1.00 0.00 O ATOM 453 CB LEU A 28 3.504 -2.475 -7.414 1.00 0.00 C ATOM 454 CG LEU A 28 4.058 -1.372 -8.325 1.00 0.00 C ATOM 455 CD1 LEU A 28 4.082 -0.051 -7.569 1.00 0.00 C ATOM 456 CD2 LEU A 28 5.452 -1.757 -8.799 1.00 0.00 C ATOM 457 H LEU A 28 1.616 -3.043 -9.128 1.00 0.00 H ATOM 458 HA LEU A 28 4.252 -4.192 -8.471 1.00 0.00 H ATOM 459 1HB LEU A 28 2.548 -2.131 -7.022 1.00 0.00 H ATOM 460 2HB LEU A 28 4.195 -2.592 -6.579 1.00 0.00 H ATOM 461 HG LEU A 28 3.403 -1.250 -9.188 1.00 0.00 H ATOM 462 1HD1 LEU A 28 4.476 0.732 -8.217 1.00 0.00 H ATOM 463 2HD1 LEU A 28 3.070 0.209 -7.259 1.00 0.00 H ATOM 464 3HD1 LEU A 28 4.718 -0.148 -6.689 1.00 0.00 H ATOM 465 1HD2 LEU A 28 5.845 -0.974 -9.447 1.00 0.00 H ATOM 466 2HD2 LEU A 28 6.108 -1.878 -7.937 1.00 0.00 H ATOM 467 3HD2 LEU A 28 5.402 -2.695 -9.352 1.00 0.00 H ATOM 468 N GLY A 29 1.600 -5.345 -7.218 1.00 0.00 N ATOM 469 CA GLY A 29 1.040 -6.351 -6.323 1.00 0.00 C ATOM 470 C GLY A 29 -0.091 -5.772 -5.483 1.00 0.00 C ATOM 471 O GLY A 29 -0.545 -6.395 -4.523 1.00 0.00 O ATOM 472 H GLY A 29 1.047 -5.016 -7.997 1.00 0.00 H ATOM 473 1HA GLY A 29 0.669 -7.192 -6.909 1.00 0.00 H ATOM 474 2HA GLY A 29 1.824 -6.734 -5.671 1.00 0.00 H ATOM 475 N LEU A 30 -0.541 -4.577 -5.849 1.00 0.00 N ATOM 476 CA LEU A 30 -1.669 -3.944 -5.174 1.00 0.00 C ATOM 477 C LEU A 30 -2.995 -4.417 -5.756 1.00 0.00 C ATOM 478 O LEU A 30 -3.091 -4.710 -6.948 1.00 0.00 O ATOM 479 CB LEU A 30 -1.567 -2.418 -5.292 1.00 0.00 C ATOM 480 CG LEU A 30 -0.633 -1.734 -4.285 1.00 0.00 C ATOM 481 CD1 LEU A 30 0.813 -2.063 -4.629 1.00 0.00 C ATOM 482 CD2 LEU A 30 -0.873 -0.231 -4.310 1.00 0.00 C ATOM 483 H LEU A 30 -0.091 -4.094 -6.613 1.00 0.00 H ATOM 484 HA LEU A 30 -1.639 -4.217 -4.120 1.00 0.00 H ATOM 485 1HB LEU A 30 -1.216 -2.169 -6.292 1.00 0.00 H ATOM 486 2HB LEU A 30 -2.563 -1.992 -5.163 1.00 0.00 H ATOM 487 HG LEU A 30 -0.834 -2.117 -3.284 1.00 0.00 H ATOM 488 1HD1 LEU A 30 1.477 -1.577 -3.914 1.00 0.00 H ATOM 489 2HD1 LEU A 30 0.961 -3.142 -4.585 1.00 0.00 H ATOM 490 3HD1 LEU A 30 1.038 -1.706 -5.633 1.00 0.00 H ATOM 491 1HD2 LEU A 30 -0.209 0.255 -3.594 1.00 0.00 H ATOM 492 2HD2 LEU A 30 -0.672 0.153 -5.310 1.00 0.00 H ATOM 493 3HD2 LEU A 30 -1.909 -0.024 -4.044 1.00 0.00 H ATOM 494 N SER A 31 -4.015 -4.490 -4.908 1.00 0.00 N ATOM 495 CA SER A 31 -5.374 -4.750 -5.365 1.00 0.00 C ATOM 496 C SER A 31 -5.998 -3.503 -5.978 1.00 0.00 C ATOM 497 O SER A 31 -5.449 -2.407 -5.873 1.00 0.00 O ATOM 498 CB SER A 31 -6.228 -5.239 -4.211 1.00 0.00 C ATOM 499 OG SER A 31 -6.448 -4.216 -3.280 1.00 0.00 O ATOM 500 H SER A 31 -3.844 -4.361 -3.921 1.00 0.00 H ATOM 501 HA SER A 31 -5.337 -5.511 -6.147 1.00 0.00 H ATOM 502 1HB SER A 31 -7.184 -5.599 -4.593 1.00 0.00 H ATOM 503 2HB SER A 31 -5.734 -6.079 -3.724 1.00 0.00 H ATOM 504 HG SER A 31 -5.967 -4.470 -2.489 1.00 0.00 H ATOM 505 N GLU A 32 -7.149 -3.677 -6.618 1.00 0.00 N ATOM 506 CA GLU A 32 -7.880 -2.557 -7.198 1.00 0.00 C ATOM 507 C GLU A 32 -8.210 -1.509 -6.143 1.00 0.00 C ATOM 508 O GLU A 32 -8.038 -0.311 -6.369 1.00 0.00 O ATOM 509 CB GLU A 32 -9.169 -3.047 -7.863 1.00 0.00 C ATOM 510 CG GLU A 32 -9.948 -1.966 -8.598 1.00 0.00 C ATOM 511 CD GLU A 32 -9.302 -1.559 -9.894 1.00 0.00 C ATOM 512 OE1 GLU A 32 -8.698 -2.394 -10.523 1.00 0.00 O ATOM 513 OE2 GLU A 32 -9.413 -0.411 -10.254 1.00 0.00 O ATOM 514 H GLU A 32 -7.527 -4.610 -6.706 1.00 0.00 H ATOM 515 HA GLU A 32 -7.257 -2.097 -7.966 1.00 0.00 H ATOM 516 1HB GLU A 32 -8.932 -3.835 -8.579 1.00 0.00 H ATOM 517 2HB GLU A 32 -9.826 -3.479 -7.108 1.00 0.00 H ATOM 518 1HG GLU A 32 -10.952 -2.334 -8.806 1.00 0.00 H ATOM 519 2HG GLU A 32 -10.037 -1.094 -7.952 1.00 0.00 H ATOM 520 N ASP A 33 -8.684 -1.967 -4.989 1.00 0.00 N ATOM 521 CA ASP A 33 -9.079 -1.067 -3.912 1.00 0.00 C ATOM 522 C ASP A 33 -7.865 -0.413 -3.266 1.00 0.00 C ATOM 523 O ASP A 33 -7.891 0.770 -2.928 1.00 0.00 O ATOM 524 CB ASP A 33 -9.885 -1.821 -2.852 1.00 0.00 C ATOM 525 CG ASP A 33 -11.269 -2.231 -3.339 1.00 0.00 C ATOM 526 OD1 ASP A 33 -11.724 -1.673 -4.309 1.00 0.00 O ATOM 527 OD2 ASP A 33 -11.856 -3.097 -2.736 1.00 0.00 O ATOM 528 H ASP A 33 -8.772 -2.964 -4.855 1.00 0.00 H ATOM 529 HA ASP A 33 -9.716 -0.286 -4.330 1.00 0.00 H ATOM 530 1HB ASP A 33 -9.342 -2.717 -2.551 1.00 0.00 H ATOM 531 2HB ASP A 33 -9.998 -1.194 -1.967 1.00 0.00 H ATOM 532 N GLU A 34 -6.801 -1.191 -3.097 1.00 0.00 N ATOM 533 CA GLU A 34 -5.565 -0.683 -2.513 1.00 0.00 C ATOM 534 C GLU A 34 -4.931 0.378 -3.403 1.00 0.00 C ATOM 535 O GLU A 34 -4.454 1.405 -2.919 1.00 0.00 O ATOM 536 CB GLU A 34 -4.575 -1.826 -2.281 1.00 0.00 C ATOM 537 CG GLU A 34 -3.320 -1.426 -1.518 1.00 0.00 C ATOM 538 CD GLU A 34 -2.421 -2.592 -1.218 1.00 0.00 C ATOM 539 OE1 GLU A 34 -2.747 -3.686 -1.612 1.00 0.00 O ATOM 540 OE2 GLU A 34 -1.406 -2.390 -0.593 1.00 0.00 O ATOM 541 H GLU A 34 -6.849 -2.159 -3.380 1.00 0.00 H ATOM 542 HA GLU A 34 -5.798 -0.234 -1.547 1.00 0.00 H ATOM 543 1HB GLU A 34 -5.065 -2.624 -1.724 1.00 0.00 H ATOM 544 2HB GLU A 34 -4.265 -2.240 -3.241 1.00 0.00 H ATOM 545 1HG GLU A 34 -2.765 -0.697 -2.109 1.00 0.00 H ATOM 546 2HG GLU A 34 -3.612 -0.949 -0.584 1.00 0.00 H ATOM 547 N ALA A 35 -4.928 0.125 -4.708 1.00 0.00 N ATOM 548 CA ALA A 35 -4.412 1.087 -5.674 1.00 0.00 C ATOM 549 C ALA A 35 -5.180 2.401 -5.607 1.00 0.00 C ATOM 550 O ALA A 35 -4.588 3.479 -5.648 1.00 0.00 O ATOM 551 CB ALA A 35 -4.474 0.509 -7.081 1.00 0.00 C ATOM 552 H ALA A 35 -5.293 -0.757 -5.038 1.00 0.00 H ATOM 553 HA ALA A 35 -3.365 1.282 -5.443 1.00 0.00 H ATOM 554 1HB ALA A 35 -4.085 1.239 -7.791 1.00 0.00 H ATOM 555 2HB ALA A 35 -3.872 -0.399 -7.128 1.00 0.00 H ATOM 556 3HB ALA A 35 -5.507 0.273 -7.332 1.00 0.00 H ATOM 557 N GLU A 36 -6.501 2.303 -5.505 1.00 0.00 N ATOM 558 CA GLU A 36 -7.346 3.481 -5.345 1.00 0.00 C ATOM 559 C GLU A 36 -6.998 4.240 -4.071 1.00 0.00 C ATOM 560 O GLU A 36 -6.799 5.454 -4.095 1.00 0.00 O ATOM 561 CB GLU A 36 -8.823 3.080 -5.324 1.00 0.00 C ATOM 562 CG GLU A 36 -9.777 4.213 -4.978 1.00 0.00 C ATOM 563 CD GLU A 36 -9.869 5.253 -6.060 1.00 0.00 C ATOM 564 OE1 GLU A 36 -9.624 4.924 -7.196 1.00 0.00 O ATOM 565 OE2 GLU A 36 -10.185 6.377 -5.750 1.00 0.00 O ATOM 566 H GLU A 36 -6.932 1.390 -5.538 1.00 0.00 H ATOM 567 HA GLU A 36 -7.186 4.140 -6.199 1.00 0.00 H ATOM 568 1HB GLU A 36 -9.107 2.690 -6.302 1.00 0.00 H ATOM 569 2HB GLU A 36 -8.972 2.282 -4.597 1.00 0.00 H ATOM 570 1HG GLU A 36 -10.770 3.798 -4.804 1.00 0.00 H ATOM 571 2HG GLU A 36 -9.444 4.685 -4.054 1.00 0.00 H ATOM 572 N GLU A 37 -6.927 3.516 -2.958 1.00 0.00 N ATOM 573 CA GLU A 37 -6.573 4.115 -1.677 1.00 0.00 C ATOM 574 C GLU A 37 -5.231 4.832 -1.756 1.00 0.00 C ATOM 575 O GLU A 37 -5.080 5.944 -1.250 1.00 0.00 O ATOM 576 CB GLU A 37 -6.527 3.045 -0.583 1.00 0.00 C ATOM 577 CG GLU A 37 -6.190 3.577 0.802 1.00 0.00 C ATOM 578 CD GLU A 37 -6.213 2.509 1.860 1.00 0.00 C ATOM 579 OE1 GLU A 37 -6.709 1.442 1.590 1.00 0.00 O ATOM 580 OE2 GLU A 37 -5.733 2.761 2.941 1.00 0.00 O ATOM 581 H GLU A 37 -7.123 2.527 -3.002 1.00 0.00 H ATOM 582 HA GLU A 37 -7.342 4.840 -1.409 1.00 0.00 H ATOM 583 1HB GLU A 37 -7.493 2.544 -0.524 1.00 0.00 H ATOM 584 2HB GLU A 37 -5.783 2.292 -0.842 1.00 0.00 H ATOM 585 1HG GLU A 37 -5.197 4.026 0.777 1.00 0.00 H ATOM 586 2HG GLU A 37 -6.904 4.357 1.064 1.00 0.00 H ATOM 587 N ALA A 38 -4.259 4.189 -2.393 1.00 0.00 N ATOM 588 CA ALA A 38 -2.926 4.763 -2.537 1.00 0.00 C ATOM 589 C ALA A 38 -2.982 6.117 -3.232 1.00 0.00 C ATOM 590 O ALA A 38 -2.305 7.062 -2.827 1.00 0.00 O ATOM 591 CB ALA A 38 -2.019 3.811 -3.304 1.00 0.00 C ATOM 592 H ALA A 38 -4.448 3.279 -2.789 1.00 0.00 H ATOM 593 HA ALA A 38 -2.498 4.897 -1.543 1.00 0.00 H ATOM 594 1HB ALA A 38 -1.028 4.254 -3.403 1.00 0.00 H ATOM 595 2HB ALA A 38 -1.943 2.867 -2.764 1.00 0.00 H ATOM 596 3HB ALA A 38 -2.436 3.631 -4.294 1.00 0.00 H ATOM 597 N ILE A 39 -3.792 6.205 -4.282 1.00 0.00 N ATOM 598 CA ILE A 39 -3.981 7.459 -5.001 1.00 0.00 C ATOM 599 C ILE A 39 -4.576 8.529 -4.094 1.00 0.00 C ATOM 600 O ILE A 39 -4.141 9.681 -4.109 1.00 0.00 O ATOM 601 CB ILE A 39 -4.892 7.258 -6.225 1.00 0.00 C ATOM 602 CG1 ILE A 39 -4.189 6.399 -7.279 1.00 0.00 C ATOM 603 CG2 ILE A 39 -5.297 8.601 -6.813 1.00 0.00 C ATOM 604 CD1 ILE A 39 -5.101 5.923 -8.386 1.00 0.00 C ATOM 605 H ILE A 39 -4.290 5.382 -4.589 1.00 0.00 H ATOM 606 HA ILE A 39 -3.010 7.803 -5.357 1.00 0.00 H ATOM 607 HB ILE A 39 -5.790 6.718 -5.926 1.00 0.00 H ATOM 608 1HG1 ILE A 39 -3.375 6.967 -7.727 1.00 0.00 H ATOM 609 2HG1 ILE A 39 -3.750 5.523 -6.800 1.00 0.00 H ATOM 610 1HG2 ILE A 39 -5.940 8.441 -7.678 1.00 0.00 H ATOM 611 2HG2 ILE A 39 -5.835 9.179 -6.063 1.00 0.00 H ATOM 612 3HG2 ILE A 39 -4.405 9.148 -7.121 1.00 0.00 H ATOM 613 1HD1 ILE A 39 -4.530 5.320 -9.094 1.00 0.00 H ATOM 614 2HD1 ILE A 39 -5.905 5.320 -7.962 1.00 0.00 H ATOM 615 3HD1 ILE A 39 -5.525 6.782 -8.903 1.00 0.00 H ATOM 616 N GLN A 40 -5.573 8.143 -3.306 1.00 0.00 N ATOM 617 CA GLN A 40 -6.224 9.067 -2.385 1.00 0.00 C ATOM 618 C GLN A 40 -5.252 9.562 -1.322 1.00 0.00 C ATOM 619 O GLN A 40 -5.290 10.727 -0.926 1.00 0.00 O ATOM 620 CB GLN A 40 -7.430 8.399 -1.719 1.00 0.00 C ATOM 621 CG GLN A 40 -8.588 8.123 -2.663 1.00 0.00 C ATOM 622 CD GLN A 40 -9.741 7.418 -1.974 1.00 0.00 C ATOM 623 OE1 GLN A 40 -9.847 7.427 -0.744 1.00 0.00 O ATOM 624 NE2 GLN A 40 -10.613 6.802 -2.763 1.00 0.00 N ATOM 625 H GLN A 40 -5.887 7.184 -3.345 1.00 0.00 H ATOM 626 HA GLN A 40 -6.587 9.924 -2.954 1.00 0.00 H ATOM 627 1HB GLN A 40 -7.123 7.451 -1.277 1.00 0.00 H ATOM 628 2HB GLN A 40 -7.798 9.033 -0.912 1.00 0.00 H ATOM 629 1HG GLN A 40 -8.954 9.070 -3.059 1.00 0.00 H ATOM 630 2HG GLN A 40 -8.237 7.489 -3.477 1.00 0.00 H ATOM 631 1HE2 GLN A 40 -11.395 6.319 -2.366 1.00 0.00 H ATOM 632 2HE2 GLN A 40 -10.490 6.819 -3.756 1.00 0.00 H ATOM 633 N ARG A 41 -4.380 8.670 -0.863 1.00 0.00 N ATOM 634 CA ARG A 41 -3.354 9.031 0.108 1.00 0.00 C ATOM 635 C ARG A 41 -2.226 9.816 -0.549 1.00 0.00 C ATOM 636 O ARG A 41 -1.546 10.608 0.104 1.00 0.00 O ATOM 637 CB ARG A 41 -2.783 7.786 0.771 1.00 0.00 C ATOM 638 CG ARG A 41 -3.732 7.076 1.722 1.00 0.00 C ATOM 639 CD ARG A 41 -3.077 5.922 2.391 1.00 0.00 C ATOM 640 NE ARG A 41 -4.005 5.186 3.234 1.00 0.00 N ATOM 641 CZ ARG A 41 -4.320 5.521 4.500 1.00 0.00 C ATOM 642 NH1 ARG A 41 -3.774 6.581 5.055 1.00 0.00 N ATOM 643 NH2 ARG A 41 -5.177 4.785 5.186 1.00 0.00 N ATOM 644 H ARG A 41 -4.430 7.718 -1.195 1.00 0.00 H ATOM 645 HA ARG A 41 -3.811 9.653 0.879 1.00 0.00 H ATOM 646 1HB ARG A 41 -2.486 7.071 0.005 1.00 0.00 H ATOM 647 2HB ARG A 41 -1.888 8.052 1.334 1.00 0.00 H ATOM 648 1HG ARG A 41 -4.066 7.773 2.491 1.00 0.00 H ATOM 649 2HG ARG A 41 -4.595 6.706 1.167 1.00 0.00 H ATOM 650 1HD ARG A 41 -2.686 5.239 1.638 1.00 0.00 H ATOM 651 2HD ARG A 41 -2.260 6.280 3.016 1.00 0.00 H ATOM 652 HE ARG A 41 -4.446 4.364 2.842 1.00 0.00 H ATOM 653 1HH1 ARG A 41 -3.118 7.144 4.531 1.00 0.00 H ATOM 654 2HH1 ARG A 41 -4.010 6.832 6.004 1.00 0.00 H ATOM 655 1HH2 ARG A 41 -5.597 3.970 4.759 1.00 0.00 H ATOM 656 2HH2 ARG A 41 -5.413 5.036 6.134 1.00 0.00 H ATOM 657 N ALA A 42 -2.032 9.592 -1.844 1.00 0.00 N ATOM 658 CA ALA A 42 -1.047 10.344 -2.613 1.00 0.00 C ATOM 659 C ALA A 42 -1.432 11.815 -2.712 1.00 0.00 C ATOM 660 O ALA A 42 -0.587 12.698 -2.573 1.00 0.00 O ATOM 661 CB ALA A 42 -0.889 9.744 -4.002 1.00 0.00 C ATOM 662 H ALA A 42 -2.581 8.883 -2.308 1.00 0.00 H ATOM 663 HA ALA A 42 -0.083 10.269 -2.108 1.00 0.00 H ATOM 664 1HB ALA A 42 -0.150 10.316 -4.563 1.00 0.00 H ATOM 665 2HB ALA A 42 -0.557 8.709 -3.915 1.00 0.00 H ATOM 666 3HB ALA A 42 -1.844 9.775 -4.523 1.00 0.00 H ATOM 667 N LYS A 43 -2.713 12.071 -2.955 1.00 0.00 N ATOM 668 CA LYS A 43 -3.215 13.435 -3.061 1.00 0.00 C ATOM 669 C LYS A 43 -3.053 14.186 -1.745 1.00 0.00 C ATOM 670 O LYS A 43 -3.089 13.587 -0.670 1.00 0.00 O ATOM 671 OXT LYS A 43 -2.888 15.374 -1.749 1.00 0.00 O ATOM 672 CB LYS A 43 -4.684 13.434 -3.488 1.00 0.00 C ATOM 673 CG LYS A 43 -4.926 12.935 -4.907 1.00 0.00 C ATOM 674 CD LYS A 43 -6.408 12.943 -5.250 1.00 0.00 C ATOM 675 CE LYS A 43 -6.657 12.393 -6.647 1.00 0.00 C ATOM 676 NZ LYS A 43 -8.107 12.349 -6.978 1.00 0.00 N ATOM 677 H LYS A 43 -3.356 11.300 -3.069 1.00 0.00 H ATOM 678 HA LYS A 43 -2.630 13.961 -3.816 1.00 0.00 H ATOM 679 1HB LYS A 43 -5.260 12.805 -2.809 1.00 0.00 H ATOM 680 2HB LYS A 43 -5.085 14.446 -3.417 1.00 0.00 H ATOM 681 1HG LYS A 43 -4.395 13.573 -5.613 1.00 0.00 H ATOM 682 2HG LYS A 43 -4.545 11.919 -5.004 1.00 0.00 H ATOM 683 1HD LYS A 43 -6.953 12.334 -4.527 1.00 0.00 H ATOM 684 2HD LYS A 43 -6.788 13.963 -5.199 1.00 0.00 H ATOM 685 1HE LYS A 43 -6.148 13.018 -7.379 1.00 0.00 H ATOM 686 2HE LYS A 43 -6.250 11.384 -6.719 1.00 0.00 H ATOM 687 1HZ LYS A 43 -8.229 11.979 -7.910 1.00 0.00 H ATOM 688 2HZ LYS A 43 -8.586 11.756 -6.315 1.00 0.00 H ATOM 689 3HZ LYS A 43 -8.491 13.282 -6.934 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE nods_bigger.blueprint.44_try39_pass_20151110053605_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_intra_sol_xover4 lk_ball_wtd fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 rama omega fa_dun p_aa_pp yhh_planarity ref total weights 1 0.55 1 0.005 1 1 1 1.25 1.17 1.17 1.17 1.1 1.25 0.25 0.625 0.7 0.4 0.625 1 NA pose -215.981 21.0183 120.484 0.42657 6.69357 0.9732 -43.4298 0.08369 -26.0335 -1.5085 -7.7914 -11.4334 0 -8.01911 2.68089 58.7828 -7.46552 0 -0.57816 -111.097 ARG:NtermProteinFull_1 -5.74893 0.76331 4.77008 0.01455 0.21896 0.31998 -3.08725 0.00689 0 0 -0.83969 -0.81935 0 0 0.0512 1.72521 0 0 -0.4 -3.02505 PRO_2 -2.43149 0.5335 1.90952 0.00151 0.02039 -0.12788 0.04222 0.0768 0 0 0 0 0 0.00183 0.02177 0.18589 -0.3835 0 -0.97642 -1.12587 GLU_3 -3.70136 0.28752 3.28628 0.00636 0.21423 0.33319 -1.5086 0 0 0 0 -0.81935 0 -0.2827 0.00578 2.80126 -0.15385 0 -2.28137 -1.81261 ALA_4 -5.04065 0.52513 1.09452 0.00092 0 -0.0648 0.05611 0 0 0 0 0 0 -0.29857 0.34259 0 -0.05364 0 1.56209 -1.8763 THR_5 -6.18149 0.5256 3.66281 0.01062 0.03887 -0.20247 -0.68575 0 0 0 0 0 0 0.0318 0.06244 0.01785 0.10921 0 0.72083 -1.88968 ASP_6 -4.37426 0.18454 4.11588 0.0036 0.23761 -0.07722 -1.43158 0 0 0 0 -0.41392 0 -0.12608 0.20081 1.61456 0.05329 0 -2.00354 -2.01632 LEU_7 -5.64549 0.68843 1.68568 0.01531 0.06436 -0.00804 -0.32496 0 0 0 0 0 0 -0.01187 0.00299 0.4368 -0.12787 0 1.68043 -1.54424 ALA_8 -5.93393 0.45938 1.19471 0.00082 0 0 -0.43637 0 0 0 0 0 0 -0.16717 0.03806 0 -0.22198 0 1.56209 -3.50438 ARG_9 -7.09483 0.753 5.41312 0.02561 0.58263 0.03002 -2.25235 0 0 0 -0.87152 -0.41392 0 -0.17389 0.08884 2.6636 -0.09818 0 -0.4 -1.74787 LYS_10 -4.64627 0.24119 3.34606 0.00638 0.07323 -0.11618 -0.23611 0 0 0 0 0 0 -0.25392 9e-05 1.02279 -0.05988 0 -0.47142 -1.09403 LEU_11 -8.36366 1.10738 1.19487 0.01309 0.02789 -0.00852 -0.51675 0 0 0 0 0 0 -0.13921 0.1707 0.32108 -0.15135 0 1.68043 -4.66404 LEU_12 -5.38677 0.49545 1.65473 0.01236 0.02716 -0.00296 -0.2533 0 0 0 0 0 0 -0.1052 0.0232 0.54484 -0.15224 0 1.68043 -1.4623 LYS_13 -3.17914 0.25734 2.36231 0.00646 0.07817 -0.10869 -0.06418 0 0 0 0 0 0 -0.34406 0.01082 0.86857 -0.04898 0 -0.47142 -0.63279 ASN_14 -3.54073 0.27921 2.52703 0.00526 0.22092 -0.17185 -0.06804 0 0 0 0 0 0 -0.31703 0.10004 1.73405 -0.3166 0 -1.09912 -0.64686 GLY_15 -1.60178 0.16165 1.3474 4e-05 0 -0.00986 0.07609 0 0 0 0 0 0 -0.44803 0.00017 0 -0.96938 0 0.8121 -0.6316 ILE_16 -5.61142 0.71767 1.23306 0.03254 0.03874 -0.1423 -0.18393 0 0 0 0 0 0 -0.28907 0.25203 0.88662 -0.28152 0 2.27849 -1.06909 SER_17 -4.13003 0.48429 3.64199 0.00144 0.05562 0.24022 -1.81318 0 0 0 -1.10699 -0.53434 0 -0.36999 5e-05 0.20171 -0.25753 0 0.5 -3.08673 GLU_18 -4.87741 0.33879 3.72762 0.00697 0.21711 -0.06283 -2.28768 0 0 0 0 -0.29012 0 -0.2665 0.02174 2.70796 -0.12156 0 -2.28137 -3.16727 ASP_19 -3.32888 0.17731 3.22362 0.00356 0.23405 -0.06536 -0.76587 0 0 0 0 0 0 -0.03698 0.04943 1.6468 0.07066 0 -2.00354 -0.79518 GLU_20 -5.36915 0.52698 4.07556 0.00442 0.21725 0.1405 -1.63906 0 0 0 -1.10699 -0.53434 0 -0.2615 0.01507 3.67054 -0.13183 0 -2.28137 -2.67392 ILE_21 -9.12887 1.53116 0.70699 0.02853 0.03484 -0.00426 -0.51132 0 0 0 0 0 0 -0.02161 6e-05 0.08288 -0.13465 0 2.27849 -5.13777 ARG_22 -7.98689 0.70399 6.37459 0.01589 0.21707 -0.01025 -3.76787 0 0 0 0 -0.85568 0 -0.08367 0.00091 2.43801 -0.13604 0 -0.4 -3.48997 GLU_23 -4.36139 0.22063 4.28112 0.00717 0.65371 -0.0392 -1.75745 0 0 0 0 -0.48105 0 -0.28829 0.13279 3.20551 -0.16671 0 -2.28137 -0.87453 ILE_24 -5.59318 0.42804 1.48212 0.02852 0.0359 0.01793 -0.56085 0 0 0 -0.34198 0 0 -0.0479 0.04742 0.15222 -0.06808 0 2.27849 -2.14134 LEU_25 -8.87154 1.58277 0.13296 0.02431 0.03354 0.00544 -0.62516 0 0 0 0 0 0 -0.10756 0.00404 4.06788 -0.12945 0 1.68043 -2.20236 LYS_26 -6.78297 0.71112 6.01725 0.0124 0.13486 0.11466 -3.36668 0 0 0 0 -1.08752 0 -0.30496 0.00473 2.29741 -0.05341 0 -0.47142 -2.77453 SER_27 -2.58095 0.19984 2.51555 0.00226 0.04543 -0.04097 -0.61363 0 0 0 -0.34198 0 0 -0.33782 0.00659 0.43395 -0.26885 0 0.5 -0.48058 LEU_28 -4.30444 0.83593 1.23359 0.01365 0.03745 -0.14507 -0.48793 0 0 0 0 0 0 -0.26347 0.03109 0.08199 -0.15591 0 1.68043 -1.44269 GLY_29 -1.4559 0.1256 1.23305 1e-05 0 -0.01991 0.18507 0 0 0 0 0 0 -0.09895 0.07213 0 -1.00971 0 0.8121 -0.15652 LEU_30 -7.28019 0.91612 1.04175 0.01732 0.02703 -0.16333 0.24626 0 0 0 0 0 0 -0.29128 0.45069 2.3723 -0.1849 0 1.68043 -1.1678 SER_31 -3.47353 0.17783 3.16048 0.00142 0.04839 0.01562 -0.96829 0 0 0 -0.73553 0 0 -0.28099 0.048 0.08686 -0.35268 0 0.5 -1.77241 GLU_32 -3.34296 0.10312 3.30884 0.00952 0.69685 0.0139 -2.05136 0 0 0 0 -0.60648 0 -0.19637 0.02467 3.53901 -0.11796 0 -2.28137 -0.90059 ASP_33 -2.8019 0.13353 2.48089 0.00351 0.23902 -0.05091 -0.24346 0 0 0 0 0 0 -0.18239 0.00811 1.69899 0.00658 0 -2.00354 -0.71157 GLU_34 -5.84036 0.33864 4.89063 0.00825 0.26707 -0.05644 -2.10238 0 0 0 -1.57522 0 0 -0.26971 0.05904 3.07586 -0.14763 0 -2.28137 -3.63362 ALA_35 -5.5259 0.33735 1.50822 0.00081 0 -0.0035 -0.40851 0 0 0 0 0 0 -0.1792 0.10215 0 -0.21795 0 1.56209 -2.82443 GLU_36 -5.44934 0.32063 4.87746 0.01361 0.83249 0.47999 -2.84342 0 0 0 0 -1.70023 0 -0.1388 0.01263 3.46951 -0.1366 0 -2.28137 -2.54345 GLU_37 -5.01087 0.21514 4.50854 0.00929 0.27497 0.32487 -1.97166 0 0 0 0 -0.8712 0 -0.19239 0.00011 2.82286 -0.10994 0 -2.28137 -2.28163 ALA_38 -5.33835 0.58656 2.109 0.00081 0 0.07411 -0.50505 0 0 0 0 0 0 -0.16507 0.04407 0 -0.21655 0 1.56209 -1.84838 ILE_39 -7.33396 0.81379 1.513 0.02924 0.03552 -0.15339 -0.37984 0 0 0 0 0 0 -0.04239 0.0009 0.10022 -0.08235 0 2.27849 -3.22077 GLN_40 -4.28129 0.17574 3.21448 0.00625 0.16195 0.10411 -0.62526 0 0 0 0 -0.84455 0 -0.20515 0.05682 2.63806 -0.17341 0 -1.60738 -1.37963 ARG_41 -4.45523 0.18085 3.65437 0.0145 0.23284 0.40764 -1.69487 0 0 0 -0.35846 -0.8712 0 -0.29135 0.11404 1.84166 -0.12493 0 -0.4 -1.75014 ALA_42 -5.13886 0.71948 1.79385 0.00081 0 0.09077 0.04965 0 0 0 -0.51306 0 0 -0.17167 0.0021 0 -0.18765 0 1.56209 -1.7925 LYS:CtermProteinFull_43 -3.45413 0.15273 2.978 0.00666 0.11748 0.11647 -1.04527 0 0 0 0 -0.29012 0 0 0 1.32749 0 0 -0.47142 -0.56213 #END_POSE_ENERGIES_TABLE nods_bigger.blueprint.44_try39_pass_20151110053605_0001.pdb AlaCount 5 bb -0.0350732 buried_minus_exposed 3562.54 buried_np 5090.77 buried_over_exposed 3.33113 cavity_volume 0 contact_all 220 contact_core_SASA 220 contact_core_SCN 220 degree 10.5349 exposed_hydrophobics 1528.23 exposed_polars 1305.88 exposed_total 2834.11 fxn_exposed_is_np 0.539227 holes -2.36055 mismatch_probability 0.128968 pack 0.720086 percent_core_SASA 0.0930016 percent_core_SCN 0.116252 res_count_core_SASA 4 res_count_core_SCN 5 sidechain_neighbors -97.7586 ss_sc 0.812587 unsat_hbond 2
HHH_rd4_0017.pdb
ATOM 1 N PRO A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA PRO A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C PRO A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O PRO A 1 1.325 2.361 0.404 1.00 0.00 O ATOM 5 CB PRO A 1 1.803 -0.740 -1.297 1.00 0.00 C ATOM 6 CG PRO A 1 0.688 -0.392 -2.223 1.00 0.00 C ATOM 7 CD PRO A 1 -0.536 -0.373 -1.346 1.00 0.00 C ATOM 8 1H PRO A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 9 2H PRO A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 10 HA PRO A 1 1.804 -0.502 0.905 1.00 0.00 H ATOM 11 1HB PRO A 1 2.784 -0.410 -1.668 1.00 0.00 H ATOM 12 2HB PRO A 1 1.877 -1.820 -1.105 1.00 0.00 H ATOM 13 1HG PRO A 1 0.881 0.579 -2.702 1.00 0.00 H ATOM 14 2HG PRO A 1 0.619 -1.136 -3.030 1.00 0.00 H ATOM 15 1HD PRO A 1 -1.242 0.385 -1.718 1.00 0.00 H ATOM 16 2HD PRO A 1 -1.002 -1.370 -1.344 1.00 0.00 H ATOM 17 N GLU A 2 3.248 1.569 -0.455 1.00 0.00 N ATOM 18 CA GLU A 2 3.902 2.872 -0.487 1.00 0.00 C ATOM 19 C GLU A 2 3.098 3.871 -1.309 1.00 0.00 C ATOM 20 O GLU A 2 3.068 5.062 -1.000 1.00 0.00 O ATOM 21 CB GLU A 2 5.315 2.747 -1.061 1.00 0.00 C ATOM 22 CG GLU A 2 6.134 4.028 -1.000 1.00 0.00 C ATOM 23 CD GLU A 2 7.525 3.859 -1.546 1.00 0.00 C ATOM 24 OE1 GLU A 2 7.846 2.779 -1.979 1.00 0.00 O ATOM 25 OE2 GLU A 2 8.267 4.813 -1.529 1.00 0.00 O ATOM 26 H GLU A 2 3.750 0.758 -0.787 1.00 0.00 H ATOM 27 HA GLU A 2 3.983 3.244 0.534 1.00 0.00 H ATOM 28 1HB GLU A 2 5.860 1.975 -0.518 1.00 0.00 H ATOM 29 2HB GLU A 2 5.258 2.435 -2.104 1.00 0.00 H ATOM 30 1HG GLU A 2 5.623 4.801 -1.573 1.00 0.00 H ATOM 31 2HG GLU A 2 6.193 4.360 0.036 1.00 0.00 H ATOM 32 N GLU A 3 2.444 3.379 -2.356 1.00 0.00 N ATOM 33 CA GLU A 3 1.689 4.238 -3.261 1.00 0.00 C ATOM 34 C GLU A 3 0.625 5.028 -2.510 1.00 0.00 C ATOM 35 O GLU A 3 0.432 6.219 -2.758 1.00 0.00 O ATOM 36 CB GLU A 3 1.036 3.404 -4.366 1.00 0.00 C ATOM 37 CG GLU A 3 2.015 2.813 -5.370 1.00 0.00 C ATOM 38 CD GLU A 3 1.352 1.907 -6.369 1.00 0.00 C ATOM 39 OE1 GLU A 3 0.188 1.627 -6.208 1.00 0.00 O ATOM 40 OE2 GLU A 3 2.010 1.494 -7.295 1.00 0.00 O ATOM 41 H GLU A 3 2.472 2.385 -2.531 1.00 0.00 H ATOM 42 HA GLU A 3 2.381 4.939 -3.729 1.00 0.00 H ATOM 43 1HB GLU A 3 0.477 2.582 -3.919 1.00 0.00 H ATOM 44 2HB GLU A 3 0.325 4.023 -4.916 1.00 0.00 H ATOM 45 1HG GLU A 3 2.507 3.625 -5.904 1.00 0.00 H ATOM 46 2HG GLU A 3 2.779 2.254 -4.831 1.00 0.00 H ATOM 47 N ILE A 4 -0.063 4.359 -1.592 1.00 0.00 N ATOM 48 CA ILE A 4 -1.078 5.008 -0.771 1.00 0.00 C ATOM 49 C ILE A 4 -0.446 5.957 0.239 1.00 0.00 C ATOM 50 O ILE A 4 -0.906 7.084 0.420 1.00 0.00 O ATOM 51 CB ILE A 4 -1.935 3.965 -0.031 1.00 0.00 C ATOM 52 CG1 ILE A 4 -2.737 3.127 -1.031 1.00 0.00 C ATOM 53 CG2 ILE A 4 -2.863 4.648 0.962 1.00 0.00 C ATOM 54 CD1 ILE A 4 -3.424 1.932 -0.412 1.00 0.00 C ATOM 55 H ILE A 4 0.121 3.375 -1.459 1.00 0.00 H ATOM 56 HA ILE A 4 -1.736 5.583 -1.425 1.00 0.00 H ATOM 57 HB ILE A 4 -1.285 3.277 0.507 1.00 0.00 H ATOM 58 1HG1 ILE A 4 -3.496 3.751 -1.502 1.00 0.00 H ATOM 59 2HG1 ILE A 4 -2.074 2.768 -1.819 1.00 0.00 H ATOM 60 1HG2 ILE A 4 -3.462 3.896 1.475 1.00 0.00 H ATOM 61 2HG2 ILE A 4 -2.273 5.201 1.690 1.00 0.00 H ATOM 62 3HG2 ILE A 4 -3.522 5.336 0.431 1.00 0.00 H ATOM 63 1HD1 ILE A 4 -3.972 1.387 -1.182 1.00 0.00 H ATOM 64 2HD1 ILE A 4 -2.678 1.274 0.036 1.00 0.00 H ATOM 65 3HD1 ILE A 4 -4.119 2.269 0.356 1.00 0.00 H ATOM 66 N LYS A 5 0.613 5.493 0.896 1.00 0.00 N ATOM 67 CA LYS A 5 1.323 6.306 1.876 1.00 0.00 C ATOM 68 C LYS A 5 1.677 7.673 1.304 1.00 0.00 C ATOM 69 O LYS A 5 1.486 8.698 1.957 1.00 0.00 O ATOM 70 CB LYS A 5 2.589 5.590 2.349 1.00 0.00 C ATOM 71 CG LYS A 5 3.371 6.338 3.422 1.00 0.00 C ATOM 72 CD LYS A 5 4.593 5.548 3.867 1.00 0.00 C ATOM 73 CE LYS A 5 5.400 6.314 4.904 1.00 0.00 C ATOM 74 NZ LYS A 5 6.601 5.555 5.346 1.00 0.00 N ATOM 75 H LYS A 5 0.933 4.553 0.711 1.00 0.00 H ATOM 76 HA LYS A 5 0.677 6.447 2.742 1.00 0.00 H ATOM 77 1HB LYS A 5 2.326 4.611 2.749 1.00 0.00 H ATOM 78 2HB LYS A 5 3.255 5.429 1.501 1.00 0.00 H ATOM 79 1HG LYS A 5 3.695 7.303 3.030 1.00 0.00 H ATOM 80 2HG LYS A 5 2.728 6.514 4.284 1.00 0.00 H ATOM 81 1HD LYS A 5 4.275 4.597 4.295 1.00 0.00 H ATOM 82 2HD LYS A 5 5.228 5.344 3.005 1.00 0.00 H ATOM 83 1HE LYS A 5 5.721 7.266 4.485 1.00 0.00 H ATOM 84 2HE LYS A 5 4.775 6.518 5.774 1.00 0.00 H ATOM 85 1HZ LYS A 5 7.108 6.096 6.032 1.00 0.00 H ATOM 86 2HZ LYS A 5 6.314 4.677 5.754 1.00 0.00 H ATOM 87 3HZ LYS A 5 7.198 5.377 4.551 1.00 0.00 H ATOM 88 N ARG A 6 2.195 7.681 0.080 1.00 0.00 N ATOM 89 CA ARG A 6 2.584 8.922 -0.579 1.00 0.00 C ATOM 90 C ARG A 6 1.393 9.856 -0.741 1.00 0.00 C ATOM 91 O ARG A 6 1.488 11.052 -0.468 1.00 0.00 O ATOM 92 CB ARG A 6 3.189 8.635 -1.945 1.00 0.00 C ATOM 93 CG ARG A 6 4.561 7.979 -1.913 1.00 0.00 C ATOM 94 CD ARG A 6 5.055 7.671 -3.279 1.00 0.00 C ATOM 95 NE ARG A 6 6.319 6.953 -3.249 1.00 0.00 N ATOM 96 CZ ARG A 6 7.029 6.609 -4.341 1.00 0.00 C ATOM 97 NH1 ARG A 6 6.587 6.922 -5.539 1.00 0.00 N ATOM 98 NH2 ARG A 6 8.170 5.955 -4.208 1.00 0.00 N ATOM 99 H ARG A 6 2.322 6.805 -0.406 1.00 0.00 H ATOM 100 HA ARG A 6 3.337 9.418 0.035 1.00 0.00 H ATOM 101 1HB ARG A 6 2.525 7.980 -2.507 1.00 0.00 H ATOM 102 2HB ARG A 6 3.281 9.565 -2.505 1.00 0.00 H ATOM 103 1HG ARG A 6 5.274 8.651 -1.434 1.00 0.00 H ATOM 104 2HG ARG A 6 4.506 7.047 -1.349 1.00 0.00 H ATOM 105 1HD ARG A 6 4.324 7.052 -3.799 1.00 0.00 H ATOM 106 2HD ARG A 6 5.203 8.598 -3.830 1.00 0.00 H ATOM 107 HE ARG A 6 6.692 6.695 -2.345 1.00 0.00 H ATOM 108 1HH1 ARG A 6 5.715 7.421 -5.640 1.00 0.00 H ATOM 109 2HH1 ARG A 6 7.119 6.664 -6.357 1.00 0.00 H ATOM 110 1HH2 ARG A 6 8.511 5.714 -3.287 1.00 0.00 H ATOM 111 2HH2 ARG A 6 8.702 5.697 -5.026 1.00 0.00 H ATOM 112 N GLU A 7 0.270 9.303 -1.190 1.00 0.00 N ATOM 113 CA GLU A 7 -0.928 10.096 -1.440 1.00 0.00 C ATOM 114 C GLU A 7 -1.523 10.619 -0.139 1.00 0.00 C ATOM 115 O GLU A 7 -2.016 11.747 -0.080 1.00 0.00 O ATOM 116 CB GLU A 7 -1.970 9.264 -2.191 1.00 0.00 C ATOM 117 CG GLU A 7 -1.593 8.932 -3.627 1.00 0.00 C ATOM 118 CD GLU A 7 -1.398 10.155 -4.479 1.00 0.00 C ATOM 119 OE1 GLU A 7 -2.287 10.970 -4.526 1.00 0.00 O ATOM 120 OE2 GLU A 7 -0.359 10.273 -5.084 1.00 0.00 O ATOM 121 H GLU A 7 0.247 8.308 -1.362 1.00 0.00 H ATOM 122 HA GLU A 7 -0.655 10.945 -2.067 1.00 0.00 H ATOM 123 1HB GLU A 7 -2.136 8.325 -1.662 1.00 0.00 H ATOM 124 2HB GLU A 7 -2.919 9.801 -2.210 1.00 0.00 H ATOM 125 1HG GLU A 7 -0.669 8.354 -3.625 1.00 0.00 H ATOM 126 2HG GLU A 7 -2.375 8.312 -4.063 1.00 0.00 H ATOM 127 N VAL A 8 -1.473 9.796 0.902 1.00 0.00 N ATOM 128 CA VAL A 8 -1.974 10.189 2.214 1.00 0.00 C ATOM 129 C VAL A 8 -1.167 11.348 2.787 1.00 0.00 C ATOM 130 O VAL A 8 -1.730 12.339 3.252 1.00 0.00 O ATOM 131 CB VAL A 8 -1.917 8.997 3.188 1.00 0.00 C ATOM 132 CG1 VAL A 8 -2.175 9.461 4.614 1.00 0.00 C ATOM 133 CG2 VAL A 8 -2.929 7.941 2.773 1.00 0.00 C ATOM 134 H VAL A 8 -1.079 8.874 0.783 1.00 0.00 H ATOM 135 HA VAL A 8 -3.013 10.506 2.108 1.00 0.00 H ATOM 136 HB VAL A 8 -0.914 8.569 3.166 1.00 0.00 H ATOM 137 1HG1 VAL A 8 -2.131 8.605 5.288 1.00 0.00 H ATOM 138 2HG1 VAL A 8 -1.417 10.189 4.902 1.00 0.00 H ATOM 139 3HG1 VAL A 8 -3.162 9.919 4.674 1.00 0.00 H ATOM 140 1HG2 VAL A 8 -2.883 7.100 3.465 1.00 0.00 H ATOM 141 2HG2 VAL A 8 -3.931 8.370 2.790 1.00 0.00 H ATOM 142 3HG2 VAL A 8 -2.700 7.593 1.765 1.00 0.00 H ATOM 143 N GLU A 9 0.155 11.215 2.751 1.00 0.00 N ATOM 144 CA GLU A 9 1.042 12.242 3.285 1.00 0.00 C ATOM 145 C GLU A 9 0.811 13.582 2.597 1.00 0.00 C ATOM 146 O GLU A 9 0.674 14.613 3.254 1.00 0.00 O ATOM 147 CB GLU A 9 2.504 11.821 3.122 1.00 0.00 C ATOM 148 CG GLU A 9 3.513 12.838 3.638 1.00 0.00 C ATOM 149 CD GLU A 9 4.937 12.390 3.463 1.00 0.00 C ATOM 150 OE1 GLU A 9 5.144 11.252 3.118 1.00 0.00 O ATOM 151 OE2 GLU A 9 5.820 13.188 3.674 1.00 0.00 O ATOM 152 H GLU A 9 0.555 10.383 2.344 1.00 0.00 H ATOM 153 HA GLU A 9 0.837 12.357 4.350 1.00 0.00 H ATOM 154 1HB GLU A 9 2.674 10.884 3.652 1.00 0.00 H ATOM 155 2HB GLU A 9 2.717 11.644 2.068 1.00 0.00 H ATOM 156 1HG GLU A 9 3.371 13.777 3.104 1.00 0.00 H ATOM 157 2HG GLU A 9 3.321 13.020 4.694 1.00 0.00 H ATOM 158 N LYS A 10 0.768 13.559 1.269 1.00 0.00 N ATOM 159 CA LYS A 10 0.588 14.777 0.488 1.00 0.00 C ATOM 160 C LYS A 10 -0.716 15.476 0.849 1.00 0.00 C ATOM 161 O LYS A 10 -0.746 16.691 1.045 1.00 0.00 O ATOM 162 CB LYS A 10 0.619 14.463 -1.009 1.00 0.00 C ATOM 163 CG LYS A 10 2.007 14.164 -1.560 1.00 0.00 C ATOM 164 CD LYS A 10 1.985 14.044 -3.077 1.00 0.00 C ATOM 165 CE LYS A 10 1.214 12.810 -3.524 1.00 0.00 C ATOM 166 NZ LYS A 10 1.244 12.640 -5.002 1.00 0.00 N ATOM 167 H LYS A 10 0.862 12.676 0.789 1.00 0.00 H ATOM 168 HA LYS A 10 1.417 15.452 0.703 1.00 0.00 H ATOM 169 1HB LYS A 10 -0.015 13.600 -1.213 1.00 0.00 H ATOM 170 2HB LYS A 10 0.212 15.307 -1.566 1.00 0.00 H ATOM 171 1HG LYS A 10 2.691 14.965 -1.278 1.00 0.00 H ATOM 172 2HG LYS A 10 2.374 13.230 -1.135 1.00 0.00 H ATOM 173 1HD LYS A 10 1.516 14.930 -3.506 1.00 0.00 H ATOM 174 2HD LYS A 10 3.006 13.978 -3.451 1.00 0.00 H ATOM 175 1HE LYS A 10 1.645 11.924 -3.060 1.00 0.00 H ATOM 176 2HE LYS A 10 0.176 12.893 -3.202 1.00 0.00 H ATOM 177 1HZ LYS A 10 0.723 11.814 -5.257 1.00 0.00 H ATOM 178 2HZ LYS A 10 0.829 13.449 -5.443 1.00 0.00 H ATOM 179 3HZ LYS A 10 2.201 12.543 -5.311 1.00 0.00 H ATOM 180 N LEU A 11 -1.792 14.702 0.937 1.00 0.00 N ATOM 181 CA LEU A 11 -3.107 15.250 1.247 1.00 0.00 C ATOM 182 C LEU A 11 -3.138 15.848 2.648 1.00 0.00 C ATOM 183 O LEU A 11 -3.730 16.905 2.869 1.00 0.00 O ATOM 184 CB LEU A 11 -4.178 14.159 1.127 1.00 0.00 C ATOM 185 CG LEU A 11 -4.502 13.698 -0.300 1.00 0.00 C ATOM 186 CD1 LEU A 11 -5.371 12.450 -0.247 1.00 0.00 C ATOM 187 CD2 LEU A 11 -5.203 14.822 -1.049 1.00 0.00 C ATOM 188 H LEU A 11 -1.697 13.708 0.785 1.00 0.00 H ATOM 189 HA LEU A 11 -3.333 16.035 0.526 1.00 0.00 H ATOM 190 1HB LEU A 11 -3.850 13.286 1.690 1.00 0.00 H ATOM 191 2HB LEU A 11 -5.101 14.527 1.574 1.00 0.00 H ATOM 192 HG LEU A 11 -3.577 13.439 -0.817 1.00 0.00 H ATOM 193 1HD1 LEU A 11 -5.601 12.123 -1.261 1.00 0.00 H ATOM 194 2HD1 LEU A 11 -4.838 11.657 0.277 1.00 0.00 H ATOM 195 3HD1 LEU A 11 -6.298 12.674 0.281 1.00 0.00 H ATOM 196 1HD2 LEU A 11 -5.432 14.495 -2.064 1.00 0.00 H ATOM 197 2HD2 LEU A 11 -6.128 15.081 -0.534 1.00 0.00 H ATOM 198 3HD2 LEU A 11 -4.552 15.695 -1.088 1.00 0.00 H ATOM 199 N LEU A 12 -2.496 15.168 3.591 1.00 0.00 N ATOM 200 CA LEU A 12 -2.377 15.673 4.954 1.00 0.00 C ATOM 201 C LEU A 12 -1.656 17.015 4.982 1.00 0.00 C ATOM 202 O LEU A 12 -2.079 17.943 5.672 1.00 0.00 O ATOM 203 CB LEU A 12 -1.624 14.663 5.830 1.00 0.00 C ATOM 204 CG LEU A 12 -2.402 13.393 6.198 1.00 0.00 C ATOM 205 CD1 LEU A 12 -1.454 12.383 6.832 1.00 0.00 C ATOM 206 CD2 LEU A 12 -3.536 13.749 7.147 1.00 0.00 C ATOM 207 H LEU A 12 -2.082 14.276 3.359 1.00 0.00 H ATOM 208 HA LEU A 12 -3.379 15.805 5.364 1.00 0.00 H ATOM 209 1HB LEU A 12 -0.719 14.357 5.307 1.00 0.00 H ATOM 210 2HB LEU A 12 -1.334 15.155 6.757 1.00 0.00 H ATOM 211 HG LEU A 12 -2.813 12.943 5.294 1.00 0.00 H ATOM 212 1HD1 LEU A 12 -2.006 11.481 7.094 1.00 0.00 H ATOM 213 2HD1 LEU A 12 -0.664 12.131 6.124 1.00 0.00 H ATOM 214 3HD1 LEU A 12 -1.014 12.812 7.731 1.00 0.00 H ATOM 215 1HD2 LEU A 12 -4.089 12.846 7.409 1.00 0.00 H ATOM 216 2HD2 LEU A 12 -3.126 14.199 8.052 1.00 0.00 H ATOM 217 3HD2 LEU A 12 -4.207 14.458 6.663 1.00 0.00 H ATOM 218 N ARG A 13 -0.566 17.111 4.229 1.00 0.00 N ATOM 219 CA ARG A 13 0.199 18.349 4.143 1.00 0.00 C ATOM 220 C ARG A 13 -0.624 19.462 3.509 1.00 0.00 C ATOM 221 O ARG A 13 -0.393 20.644 3.768 1.00 0.00 O ATOM 222 CB ARG A 13 1.470 18.137 3.334 1.00 0.00 C ATOM 223 CG ARG A 13 2.536 17.301 4.025 1.00 0.00 C ATOM 224 CD ARG A 13 3.744 17.141 3.175 1.00 0.00 C ATOM 225 NE ARG A 13 4.733 16.274 3.796 1.00 0.00 N ATOM 226 CZ ARG A 13 5.618 16.671 4.731 1.00 0.00 C ATOM 227 NH1 ARG A 13 5.626 17.920 5.141 1.00 0.00 N ATOM 228 NH2 ARG A 13 6.479 15.804 5.236 1.00 0.00 N ATOM 229 H ARG A 13 -0.259 16.306 3.702 1.00 0.00 H ATOM 230 HA ARG A 13 0.480 18.653 5.152 1.00 0.00 H ATOM 231 1HB ARG A 13 1.225 17.647 2.393 1.00 0.00 H ATOM 232 2HB ARG A 13 1.914 19.104 3.094 1.00 0.00 H ATOM 233 1HG ARG A 13 2.833 17.785 4.955 1.00 0.00 H ATOM 234 2HG ARG A 13 2.136 16.310 4.243 1.00 0.00 H ATOM 235 1HD ARG A 13 3.461 16.704 2.218 1.00 0.00 H ATOM 236 2HD ARG A 13 4.202 18.115 3.007 1.00 0.00 H ATOM 237 HE ARG A 13 4.757 15.306 3.507 1.00 0.00 H ATOM 238 1HH1 ARG A 13 4.968 18.582 4.755 1.00 0.00 H ATOM 239 2HH1 ARG A 13 6.290 18.217 5.841 1.00 0.00 H ATOM 240 1HH2 ARG A 13 6.473 14.844 4.921 1.00 0.00 H ATOM 241 2HH2 ARG A 13 7.143 16.102 5.936 1.00 0.00 H ATOM 242 N ASN A 14 -1.587 19.079 2.677 1.00 0.00 N ATOM 243 CA ASN A 14 -2.436 20.045 1.990 1.00 0.00 C ATOM 244 C ASN A 14 -3.602 20.477 2.869 1.00 0.00 C ATOM 245 O ASN A 14 -4.447 21.269 2.452 1.00 0.00 O ATOM 246 CB ASN A 14 -2.939 19.475 0.677 1.00 0.00 C ATOM 247 CG ASN A 14 -1.852 19.351 -0.354 1.00 0.00 C ATOM 248 OD1 ASN A 14 -0.864 20.094 -0.324 1.00 0.00 O ATOM 249 ND2 ASN A 14 -2.014 18.426 -1.265 1.00 0.00 N ATOM 250 H ASN A 14 -1.735 18.093 2.517 1.00 0.00 H ATOM 251 HA ASN A 14 -1.844 20.938 1.779 1.00 0.00 H ATOM 252 1HB ASN A 14 -3.374 18.490 0.850 1.00 0.00 H ATOM 253 2HB ASN A 14 -3.728 20.116 0.281 1.00 0.00 H ATOM 254 1HD2 ASN A 14 -1.322 18.298 -1.976 1.00 0.00 H ATOM 255 2HD2 ASN A 14 -2.829 17.847 -1.251 1.00 0.00 H ATOM 256 N GLY A 15 -3.646 19.949 4.088 1.00 0.00 N ATOM 257 CA GLY A 15 -4.647 20.358 5.065 1.00 0.00 C ATOM 258 C GLY A 15 -5.933 19.557 4.904 1.00 0.00 C ATOM 259 O GLY A 15 -7.003 19.992 5.327 1.00 0.00 O ATOM 260 H GLY A 15 -2.966 19.246 4.343 1.00 0.00 H ATOM 261 1HA GLY A 15 -4.252 20.220 6.072 1.00 0.00 H ATOM 262 2HA GLY A 15 -4.858 21.419 4.946 1.00 0.00 H ATOM 263 N ILE A 16 -5.821 18.384 4.289 1.00 0.00 N ATOM 264 CA ILE A 16 -6.970 17.511 4.090 1.00 0.00 C ATOM 265 C ILE A 16 -7.160 16.570 5.274 1.00 0.00 C ATOM 266 O ILE A 16 -6.213 15.926 5.725 1.00 0.00 O ATOM 267 CB ILE A 16 -6.815 16.687 2.798 1.00 0.00 C ATOM 268 CG1 ILE A 16 -6.578 17.610 1.601 1.00 0.00 C ATOM 269 CG2 ILE A 16 -8.044 15.820 2.570 1.00 0.00 C ATOM 270 CD1 ILE A 16 -7.695 18.600 1.362 1.00 0.00 C ATOM 271 H ILE A 16 -4.915 18.090 3.952 1.00 0.00 H ATOM 272 HA ILE A 16 -7.863 18.130 3.989 1.00 0.00 H ATOM 273 HB ILE A 16 -5.939 16.044 2.880 1.00 0.00 H ATOM 274 1HG1 ILE A 16 -5.654 18.168 1.750 1.00 0.00 H ATOM 275 2HG1 ILE A 16 -6.455 17.012 0.698 1.00 0.00 H ATOM 276 1HG2 ILE A 16 -7.918 15.244 1.653 1.00 0.00 H ATOM 277 2HG2 ILE A 16 -8.169 15.139 3.411 1.00 0.00 H ATOM 278 3HG2 ILE A 16 -8.926 16.454 2.482 1.00 0.00 H ATOM 279 1HD1 ILE A 16 -7.455 19.218 0.497 1.00 0.00 H ATOM 280 2HD1 ILE A 16 -8.625 18.061 1.175 1.00 0.00 H ATOM 281 3HD1 ILE A 16 -7.814 19.234 2.239 1.00 0.00 H ATOM 282 N SER A 17 -8.389 16.497 5.774 1.00 0.00 N ATOM 283 CA SER A 17 -8.683 15.723 6.974 1.00 0.00 C ATOM 284 C SER A 17 -8.519 14.230 6.720 1.00 0.00 C ATOM 285 O SER A 17 -8.542 13.779 5.576 1.00 0.00 O ATOM 286 CB SER A 17 -10.093 16.013 7.450 1.00 0.00 C ATOM 287 OG SER A 17 -11.041 15.491 6.559 1.00 0.00 O ATOM 288 H SER A 17 -9.138 16.990 5.310 1.00 0.00 H ATOM 289 HA SER A 17 -7.979 16.016 7.755 1.00 0.00 H ATOM 290 1HB SER A 17 -10.240 15.578 8.438 1.00 0.00 H ATOM 291 2HB SER A 17 -10.232 17.089 7.543 1.00 0.00 H ATOM 292 HG SER A 17 -11.052 16.086 5.806 1.00 0.00 H ATOM 293 N GLU A 18 -8.354 13.467 7.796 1.00 0.00 N ATOM 294 CA GLU A 18 -8.139 12.029 7.690 1.00 0.00 C ATOM 295 C GLU A 18 -9.305 11.349 6.982 1.00 0.00 C ATOM 296 O GLU A 18 -9.109 10.439 6.176 1.00 0.00 O ATOM 297 CB GLU A 18 -7.944 11.414 9.078 1.00 0.00 C ATOM 298 CG GLU A 18 -6.651 11.822 9.770 1.00 0.00 C ATOM 299 CD GLU A 18 -6.507 11.222 11.140 1.00 0.00 C ATOM 300 OE1 GLU A 18 -7.422 10.571 11.583 1.00 0.00 O ATOM 301 OE2 GLU A 18 -5.479 11.414 11.746 1.00 0.00 O ATOM 302 H GLU A 18 -8.378 13.895 8.711 1.00 0.00 H ATOM 303 HA GLU A 18 -7.231 11.857 7.111 1.00 0.00 H ATOM 304 1HB GLU A 18 -8.774 11.702 9.723 1.00 0.00 H ATOM 305 2HB GLU A 18 -7.953 10.327 8.999 1.00 0.00 H ATOM 306 1HG GLU A 18 -5.808 11.506 9.156 1.00 0.00 H ATOM 307 2HG GLU A 18 -6.621 12.908 9.849 1.00 0.00 H ATOM 308 N GLU A 19 -10.518 11.796 7.290 1.00 0.00 N ATOM 309 CA GLU A 19 -11.721 11.192 6.729 1.00 0.00 C ATOM 310 C GLU A 19 -11.862 11.519 5.248 1.00 0.00 C ATOM 311 O GLU A 19 -12.275 10.674 4.453 1.00 0.00 O ATOM 312 CB GLU A 19 -12.961 11.670 7.487 1.00 0.00 C ATOM 313 CG GLU A 19 -14.237 10.912 7.148 1.00 0.00 C ATOM 314 CD GLU A 19 -14.163 9.454 7.507 1.00 0.00 C ATOM 315 OE1 GLU A 19 -13.328 9.099 8.303 1.00 0.00 O ATOM 316 OE2 GLU A 19 -14.944 8.694 6.984 1.00 0.00 O ATOM 317 H GLU A 19 -10.609 12.573 7.927 1.00 0.00 H ATOM 318 HA GLU A 19 -11.651 10.109 6.843 1.00 0.00 H ATOM 319 1HB GLU A 19 -12.791 11.576 8.560 1.00 0.00 H ATOM 320 2HB GLU A 19 -13.133 12.725 7.275 1.00 0.00 H ATOM 321 1HG GLU A 19 -15.070 11.364 7.686 1.00 0.00 H ATOM 322 2HG GLU A 19 -14.432 11.010 6.081 1.00 0.00 H ATOM 323 N GLU A 20 -11.517 12.748 4.883 1.00 0.00 N ATOM 324 CA GLU A 20 -11.552 13.172 3.488 1.00 0.00 C ATOM 325 C GLU A 20 -10.582 12.358 2.641 1.00 0.00 C ATOM 326 O GLU A 20 -10.889 11.996 1.504 1.00 0.00 O ATOM 327 CB GLU A 20 -11.217 14.661 3.374 1.00 0.00 C ATOM 328 CG GLU A 20 -12.350 15.593 3.780 1.00 0.00 C ATOM 329 CD GLU A 20 -11.927 17.034 3.847 1.00 0.00 C ATOM 330 OE1 GLU A 20 -10.920 17.310 4.453 1.00 0.00 O ATOM 331 OE2 GLU A 20 -12.611 17.860 3.290 1.00 0.00 O ATOM 332 H GLU A 20 -11.222 13.407 5.590 1.00 0.00 H ATOM 333 HA GLU A 20 -12.562 13.021 3.105 1.00 0.00 H ATOM 334 1HB GLU A 20 -10.355 14.889 4.001 1.00 0.00 H ATOM 335 2HB GLU A 20 -10.944 14.895 2.345 1.00 0.00 H ATOM 336 1HG GLU A 20 -13.161 15.497 3.059 1.00 0.00 H ATOM 337 2HG GLU A 20 -12.728 15.285 4.754 1.00 0.00 H ATOM 338 N ILE A 21 -9.411 12.073 3.200 1.00 0.00 N ATOM 339 CA ILE A 21 -8.401 11.285 2.503 1.00 0.00 C ATOM 340 C ILE A 21 -8.932 9.901 2.147 1.00 0.00 C ATOM 341 O ILE A 21 -8.719 9.412 1.038 1.00 0.00 O ATOM 342 CB ILE A 21 -7.129 11.143 3.358 1.00 0.00 C ATOM 343 CG1 ILE A 21 -6.416 12.493 3.482 1.00 0.00 C ATOM 344 CG2 ILE A 21 -6.198 10.100 2.758 1.00 0.00 C ATOM 345 CD1 ILE A 21 -5.307 12.505 4.509 1.00 0.00 C ATOM 346 H ILE A 21 -9.216 12.410 4.131 1.00 0.00 H ATOM 347 HA ILE A 21 -8.131 11.803 1.582 1.00 0.00 H ATOM 348 HB ILE A 21 -7.401 10.836 4.367 1.00 0.00 H ATOM 349 1HG1 ILE A 21 -5.992 12.770 2.518 1.00 0.00 H ATOM 350 2HG1 ILE A 21 -7.139 13.262 3.754 1.00 0.00 H ATOM 351 1HG2 ILE A 21 -5.304 10.013 3.374 1.00 0.00 H ATOM 352 2HG2 ILE A 21 -6.708 9.138 2.720 1.00 0.00 H ATOM 353 3HG2 ILE A 21 -5.916 10.401 1.749 1.00 0.00 H ATOM 354 1HD1 ILE A 21 -4.850 13.495 4.539 1.00 0.00 H ATOM 355 2HD1 ILE A 21 -5.716 12.264 5.490 1.00 0.00 H ATOM 356 3HD1 ILE A 21 -4.553 11.767 4.238 1.00 0.00 H ATOM 357 N VAL A 22 -9.622 9.275 3.095 1.00 0.00 N ATOM 358 CA VAL A 22 -10.231 7.971 2.864 1.00 0.00 C ATOM 359 C VAL A 22 -11.172 8.007 1.667 1.00 0.00 C ATOM 360 O VAL A 22 -11.135 7.124 0.810 1.00 0.00 O ATOM 361 CB VAL A 22 -11.010 7.517 4.112 1.00 0.00 C ATOM 362 CG1 VAL A 22 -11.809 6.258 3.813 1.00 0.00 C ATOM 363 CG2 VAL A 22 -10.049 7.285 5.268 1.00 0.00 C ATOM 364 H VAL A 22 -9.728 9.716 3.998 1.00 0.00 H ATOM 365 HA VAL A 22 -9.438 7.249 2.665 1.00 0.00 H ATOM 366 HB VAL A 22 -11.726 8.293 4.386 1.00 0.00 H ATOM 367 1HG1 VAL A 22 -12.354 5.951 4.707 1.00 0.00 H ATOM 368 2HG1 VAL A 22 -12.517 6.458 3.009 1.00 0.00 H ATOM 369 3HG1 VAL A 22 -11.131 5.460 3.512 1.00 0.00 H ATOM 370 1HG2 VAL A 22 -10.606 6.965 6.147 1.00 0.00 H ATOM 371 2HG2 VAL A 22 -9.330 6.512 4.993 1.00 0.00 H ATOM 372 3HG2 VAL A 22 -9.518 8.210 5.491 1.00 0.00 H ATOM 373 N GLU A 23 -12.016 9.032 1.614 1.00 0.00 N ATOM 374 CA GLU A 23 -12.978 9.177 0.528 1.00 0.00 C ATOM 375 C GLU A 23 -12.277 9.446 -0.797 1.00 0.00 C ATOM 376 O GLU A 23 -12.648 8.890 -1.831 1.00 0.00 O ATOM 377 CB GLU A 23 -13.962 10.308 0.835 1.00 0.00 C ATOM 378 CG GLU A 23 -15.042 10.505 -0.219 1.00 0.00 C ATOM 379 CD GLU A 23 -15.977 9.333 -0.324 1.00 0.00 C ATOM 380 OE1 GLU A 23 -16.043 8.564 0.605 1.00 0.00 O ATOM 381 OE2 GLU A 23 -16.627 9.205 -1.335 1.00 0.00 O ATOM 382 H GLU A 23 -11.989 9.729 2.344 1.00 0.00 H ATOM 383 HA GLU A 23 -13.545 8.249 0.442 1.00 0.00 H ATOM 384 1HB GLU A 23 -14.455 10.113 1.787 1.00 0.00 H ATOM 385 2HB GLU A 23 -13.417 11.247 0.935 1.00 0.00 H ATOM 386 1HG GLU A 23 -15.620 11.395 0.030 1.00 0.00 H ATOM 387 2HG GLU A 23 -14.567 10.672 -1.185 1.00 0.00 H ATOM 388 N ILE A 24 -11.261 10.301 -0.761 1.00 0.00 N ATOM 389 CA ILE A 24 -10.512 10.652 -1.961 1.00 0.00 C ATOM 390 C ILE A 24 -9.862 9.423 -2.585 1.00 0.00 C ATOM 391 O ILE A 24 -9.912 9.232 -3.800 1.00 0.00 O ATOM 392 CB ILE A 24 -9.429 11.701 -1.646 1.00 0.00 C ATOM 393 CG1 ILE A 24 -10.073 13.049 -1.309 1.00 0.00 C ATOM 394 CG2 ILE A 24 -8.469 11.843 -2.816 1.00 0.00 C ATOM 395 CD1 ILE A 24 -9.124 14.037 -0.672 1.00 0.00 C ATOM 396 H ILE A 24 -11.000 10.719 0.122 1.00 0.00 H ATOM 397 HA ILE A 24 -11.201 11.088 -2.684 1.00 0.00 H ATOM 398 HB ILE A 24 -8.869 11.392 -0.764 1.00 0.00 H ATOM 399 1HG1 ILE A 24 -10.473 13.497 -2.218 1.00 0.00 H ATOM 400 2HG1 ILE A 24 -10.910 12.892 -0.628 1.00 0.00 H ATOM 401 1HG2 ILE A 24 -7.711 12.589 -2.577 1.00 0.00 H ATOM 402 2HG2 ILE A 24 -7.988 10.886 -3.011 1.00 0.00 H ATOM 403 3HG2 ILE A 24 -9.021 12.158 -3.703 1.00 0.00 H ATOM 404 1HD1 ILE A 24 -9.653 14.967 -0.463 1.00 0.00 H ATOM 405 2HD1 ILE A 24 -8.738 13.621 0.260 1.00 0.00 H ATOM 406 3HD1 ILE A 24 -8.296 14.236 -1.350 1.00 0.00 H ATOM 407 N LEU A 25 -9.252 8.593 -1.745 1.00 0.00 N ATOM 408 CA LEU A 25 -8.588 7.382 -2.214 1.00 0.00 C ATOM 409 C LEU A 25 -9.603 6.311 -2.596 1.00 0.00 C ATOM 410 O LEU A 25 -9.415 5.586 -3.573 1.00 0.00 O ATOM 411 CB LEU A 25 -7.647 6.841 -1.130 1.00 0.00 C ATOM 412 CG LEU A 25 -6.223 7.412 -1.140 1.00 0.00 C ATOM 413 CD1 LEU A 25 -5.405 6.720 -2.222 1.00 0.00 C ATOM 414 CD2 LEU A 25 -6.280 8.914 -1.375 1.00 0.00 C ATOM 415 H LEU A 25 -9.250 8.806 -0.759 1.00 0.00 H ATOM 416 HA LEU A 25 -7.995 7.631 -3.094 1.00 0.00 H ATOM 417 1HB LEU A 25 -8.082 7.053 -0.155 1.00 0.00 H ATOM 418 2HB LEU A 25 -7.571 5.760 -1.244 1.00 0.00 H ATOM 419 HG LEU A 25 -5.745 7.212 -0.181 1.00 0.00 H ATOM 420 1HD1 LEU A 25 -4.394 7.125 -2.229 1.00 0.00 H ATOM 421 2HD1 LEU A 25 -5.365 5.650 -2.019 1.00 0.00 H ATOM 422 3HD1 LEU A 25 -5.870 6.888 -3.193 1.00 0.00 H ATOM 423 1HD2 LEU A 25 -5.268 9.320 -1.381 1.00 0.00 H ATOM 424 2HD2 LEU A 25 -6.758 9.115 -2.334 1.00 0.00 H ATOM 425 3HD2 LEU A 25 -6.856 9.385 -0.578 1.00 0.00 H ATOM 426 N LYS A 26 -10.676 6.215 -1.820 1.00 0.00 N ATOM 427 CA LYS A 26 -11.713 5.221 -2.065 1.00 0.00 C ATOM 428 C LYS A 26 -12.320 5.387 -3.453 1.00 0.00 C ATOM 429 O LYS A 26 -12.591 4.406 -4.144 1.00 0.00 O ATOM 430 CB LYS A 26 -12.806 5.313 -0.999 1.00 0.00 C ATOM 431 CG LYS A 26 -13.902 4.263 -1.128 1.00 0.00 C ATOM 432 CD LYS A 26 -14.846 4.300 0.064 1.00 0.00 C ATOM 433 CE LYS A 26 -15.964 3.278 -0.083 1.00 0.00 C ATOM 434 NZ LYS A 26 -16.808 3.197 1.140 1.00 0.00 N ATOM 435 H LYS A 26 -10.777 6.849 -1.039 1.00 0.00 H ATOM 436 HA LYS A 26 -11.265 4.230 -1.997 1.00 0.00 H ATOM 437 1HB LYS A 26 -12.359 5.209 -0.010 1.00 0.00 H ATOM 438 2HB LYS A 26 -13.277 6.295 -1.044 1.00 0.00 H ATOM 439 1HG LYS A 26 -14.473 4.444 -2.040 1.00 0.00 H ATOM 440 2HG LYS A 26 -13.451 3.273 -1.194 1.00 0.00 H ATOM 441 1HD LYS A 26 -14.288 4.088 0.977 1.00 0.00 H ATOM 442 2HD LYS A 26 -15.285 5.294 0.150 1.00 0.00 H ATOM 443 1HE LYS A 26 -16.595 3.548 -0.928 1.00 0.00 H ATOM 444 2HE LYS A 26 -15.535 2.295 -0.278 1.00 0.00 H ATOM 445 1HZ LYS A 26 -17.535 2.509 1.003 1.00 0.00 H ATOM 446 2HZ LYS A 26 -16.235 2.928 1.928 1.00 0.00 H ATOM 447 3HZ LYS A 26 -17.227 4.098 1.321 1.00 0.00 H ATOM 448 N ARG A 27 -12.530 6.636 -3.854 1.00 0.00 N ATOM 449 CA ARG A 27 -13.122 6.933 -5.153 1.00 0.00 C ATOM 450 C ARG A 27 -12.210 6.489 -6.290 1.00 0.00 C ATOM 451 O ARG A 27 -12.647 6.354 -7.432 1.00 0.00 O ATOM 452 CB ARG A 27 -13.403 8.423 -5.285 1.00 0.00 C ATOM 453 CG ARG A 27 -14.562 8.932 -4.443 1.00 0.00 C ATOM 454 CD ARG A 27 -14.725 10.403 -4.564 1.00 0.00 C ATOM 455 NE ARG A 27 -15.786 10.904 -3.706 1.00 0.00 N ATOM 456 CZ ARG A 27 -16.232 12.175 -3.704 1.00 0.00 C ATOM 457 NH1 ARG A 27 -15.701 13.060 -4.518 1.00 0.00 N ATOM 458 NH2 ARG A 27 -17.205 12.533 -2.883 1.00 0.00 N ATOM 459 H ARG A 27 -12.273 7.399 -3.245 1.00 0.00 H ATOM 460 HA ARG A 27 -14.068 6.396 -5.234 1.00 0.00 H ATOM 461 1HB ARG A 27 -12.516 8.987 -5.000 1.00 0.00 H ATOM 462 2HB ARG A 27 -13.622 8.661 -6.326 1.00 0.00 H ATOM 463 1HG ARG A 27 -15.487 8.456 -4.771 1.00 0.00 H ATOM 464 2HG ARG A 27 -14.383 8.692 -3.394 1.00 0.00 H ATOM 465 1HD ARG A 27 -13.796 10.896 -4.280 1.00 0.00 H ATOM 466 2HD ARG A 27 -14.970 10.658 -5.594 1.00 0.00 H ATOM 467 HE ARG A 27 -16.220 10.253 -3.066 1.00 0.00 H ATOM 468 1HH1 ARG A 27 -14.957 12.787 -5.145 1.00 0.00 H ATOM 469 2HH1 ARG A 27 -16.035 14.013 -4.516 1.00 0.00 H ATOM 470 1HH2 ARG A 27 -17.614 11.853 -2.257 1.00 0.00 H ATOM 471 2HH2 ARG A 27 -17.539 13.485 -2.882 1.00 0.00 H ATOM 472 N ARG A 28 -10.941 6.264 -5.969 1.00 0.00 N ATOM 473 CA ARG A 28 -9.955 5.873 -6.970 1.00 0.00 C ATOM 474 C ARG A 28 -9.877 4.358 -7.106 1.00 0.00 C ATOM 475 O ARG A 28 -9.092 3.835 -7.895 1.00 0.00 O ATOM 476 CB ARG A 28 -8.581 6.418 -6.609 1.00 0.00 C ATOM 477 CG ARG A 28 -8.479 7.935 -6.593 1.00 0.00 C ATOM 478 CD ARG A 28 -7.152 8.391 -6.105 1.00 0.00 C ATOM 479 NE ARG A 28 -7.095 9.837 -5.961 1.00 0.00 N ATOM 480 CZ ARG A 28 -6.010 10.522 -5.551 1.00 0.00 C ATOM 481 NH1 ARG A 28 -4.903 9.881 -5.249 1.00 0.00 N ATOM 482 NH2 ARG A 28 -6.059 11.839 -5.452 1.00 0.00 N ATOM 483 H ARG A 28 -10.651 6.365 -5.006 1.00 0.00 H ATOM 484 HA ARG A 28 -10.262 6.279 -7.934 1.00 0.00 H ATOM 485 1HB ARG A 28 -8.295 6.058 -5.621 1.00 0.00 H ATOM 486 2HB ARG A 28 -7.844 6.045 -7.319 1.00 0.00 H ATOM 487 1HG ARG A 28 -8.624 8.320 -7.603 1.00 0.00 H ATOM 488 2HG ARG A 28 -9.246 8.345 -5.935 1.00 0.00 H ATOM 489 1HD ARG A 28 -6.949 7.943 -5.133 1.00 0.00 H ATOM 490 2HD ARG A 28 -6.381 8.088 -6.812 1.00 0.00 H ATOM 491 HE ARG A 28 -7.928 10.365 -6.184 1.00 0.00 H ATOM 492 1HH1 ARG A 28 -4.865 8.874 -5.324 1.00 0.00 H ATOM 493 2HH1 ARG A 28 -4.090 10.395 -4.941 1.00 0.00 H ATOM 494 1HH2 ARG A 28 -6.910 12.332 -5.684 1.00 0.00 H ATOM 495 2HH2 ARG A 28 -5.246 12.353 -5.145 1.00 0.00 H ATOM 496 N GLY A 29 -10.699 3.657 -6.330 1.00 0.00 N ATOM 497 CA GLY A 29 -10.741 2.200 -6.380 1.00 0.00 C ATOM 498 C GLY A 29 -9.788 1.588 -5.361 1.00 0.00 C ATOM 499 O GLY A 29 -9.441 0.410 -5.451 1.00 0.00 O ATOM 500 H GLY A 29 -11.310 4.146 -5.692 1.00 0.00 H ATOM 501 1HA GLY A 29 -11.757 1.859 -6.183 1.00 0.00 H ATOM 502 2HA GLY A 29 -10.476 1.863 -7.381 1.00 0.00 H ATOM 503 N ILE A 30 -9.368 2.393 -4.391 1.00 0.00 N ATOM 504 CA ILE A 30 -8.455 1.932 -3.352 1.00 0.00 C ATOM 505 C ILE A 30 -9.217 1.444 -2.127 1.00 0.00 C ATOM 506 O ILE A 30 -10.119 2.121 -1.634 1.00 0.00 O ATOM 507 CB ILE A 30 -7.481 3.050 -2.940 1.00 0.00 C ATOM 508 CG1 ILE A 30 -6.745 3.596 -4.167 1.00 0.00 C ATOM 509 CG2 ILE A 30 -6.491 2.539 -1.905 1.00 0.00 C ATOM 510 CD1 ILE A 30 -5.939 2.554 -4.909 1.00 0.00 C ATOM 511 H ILE A 30 -9.690 3.350 -4.373 1.00 0.00 H ATOM 512 HA ILE A 30 -7.876 1.098 -3.748 1.00 0.00 H ATOM 513 HB ILE A 30 -8.041 3.882 -2.514 1.00 0.00 H ATOM 514 1HG1 ILE A 30 -7.465 4.028 -4.861 1.00 0.00 H ATOM 515 2HG1 ILE A 30 -6.068 4.394 -3.860 1.00 0.00 H ATOM 516 1HG2 ILE A 30 -5.810 3.342 -1.626 1.00 0.00 H ATOM 517 2HG2 ILE A 30 -7.031 2.198 -1.023 1.00 0.00 H ATOM 518 3HG2 ILE A 30 -5.921 1.710 -2.325 1.00 0.00 H ATOM 519 1HD1 ILE A 30 -5.446 3.016 -5.764 1.00 0.00 H ATOM 520 2HD1 ILE A 30 -5.187 2.132 -4.241 1.00 0.00 H ATOM 521 3HD1 ILE A 30 -6.601 1.762 -5.256 1.00 0.00 H ATOM 522 N ASP A 31 -8.849 0.265 -1.639 1.00 0.00 N ATOM 523 CA ASP A 31 -9.529 -0.339 -0.500 1.00 0.00 C ATOM 524 C ASP A 31 -9.634 0.639 0.663 1.00 0.00 C ATOM 525 O ASP A 31 -8.632 1.204 1.103 1.00 0.00 O ATOM 526 CB ASP A 31 -8.796 -1.604 -0.047 1.00 0.00 C ATOM 527 CG ASP A 31 -9.523 -2.343 1.069 1.00 0.00 C ATOM 528 OD1 ASP A 31 -10.384 -3.135 0.768 1.00 0.00 O ATOM 529 OD2 ASP A 31 -9.210 -2.107 2.212 1.00 0.00 O ATOM 530 H ASP A 31 -8.077 -0.227 -2.067 1.00 0.00 H ATOM 531 HA ASP A 31 -10.540 -0.613 -0.806 1.00 0.00 H ATOM 532 1HB ASP A 31 -8.679 -2.280 -0.894 1.00 0.00 H ATOM 533 2HB ASP A 31 -7.797 -1.340 0.302 1.00 0.00 H ATOM 534 N GLU A 32 -10.851 0.836 1.157 1.00 0.00 N ATOM 535 CA GLU A 32 -11.100 1.803 2.220 1.00 0.00 C ATOM 536 C GLU A 32 -10.247 1.506 3.446 1.00 0.00 C ATOM 537 O GLU A 32 -9.615 2.401 4.007 1.00 0.00 O ATOM 538 CB GLU A 32 -12.581 1.803 2.604 1.00 0.00 C ATOM 539 CG GLU A 32 -12.939 2.774 3.721 1.00 0.00 C ATOM 540 CD GLU A 32 -14.408 2.776 4.044 1.00 0.00 C ATOM 541 OE1 GLU A 32 -15.160 2.181 3.310 1.00 0.00 O ATOM 542 OE2 GLU A 32 -14.778 3.374 5.027 1.00 0.00 O ATOM 543 H GLU A 32 -11.624 0.301 0.788 1.00 0.00 H ATOM 544 HA GLU A 32 -10.845 2.796 1.850 1.00 0.00 H ATOM 545 1HB GLU A 32 -13.183 2.060 1.732 1.00 0.00 H ATOM 546 2HB GLU A 32 -12.875 0.803 2.922 1.00 0.00 H ATOM 547 1HG GLU A 32 -12.383 2.501 4.617 1.00 0.00 H ATOM 548 2HG GLU A 32 -12.635 3.777 3.429 1.00 0.00 H ATOM 549 N GLU A 33 -10.232 0.242 3.858 1.00 0.00 N ATOM 550 CA GLU A 33 -9.581 -0.150 5.102 1.00 0.00 C ATOM 551 C GLU A 33 -8.071 0.035 5.016 1.00 0.00 C ATOM 552 O GLU A 33 -7.442 0.521 5.955 1.00 0.00 O ATOM 553 CB GLU A 33 -9.908 -1.607 5.438 1.00 0.00 C ATOM 554 CG GLU A 33 -9.228 -2.130 6.696 1.00 0.00 C ATOM 555 CD GLU A 33 -9.698 -1.439 7.945 1.00 0.00 C ATOM 556 OE1 GLU A 33 -10.749 -0.845 7.914 1.00 0.00 O ATOM 557 OE2 GLU A 33 -9.005 -1.505 8.933 1.00 0.00 O ATOM 558 H GLU A 33 -10.685 -0.465 3.296 1.00 0.00 H ATOM 559 HA GLU A 33 -9.965 0.478 5.907 1.00 0.00 H ATOM 560 1HB GLU A 33 -10.984 -1.718 5.570 1.00 0.00 H ATOM 561 2HB GLU A 33 -9.612 -2.247 4.607 1.00 0.00 H ATOM 562 1HG GLU A 33 -9.428 -3.197 6.787 1.00 0.00 H ATOM 563 2HG GLU A 33 -8.151 -1.998 6.596 1.00 0.00 H ATOM 564 N GLU A 34 -7.497 -0.355 3.884 1.00 0.00 N ATOM 565 CA GLU A 34 -6.066 -0.189 3.654 1.00 0.00 C ATOM 566 C GLU A 34 -5.637 1.255 3.877 1.00 0.00 C ATOM 567 O GLU A 34 -4.623 1.519 4.524 1.00 0.00 O ATOM 568 CB GLU A 34 -5.699 -0.627 2.235 1.00 0.00 C ATOM 569 CG GLU A 34 -4.218 -0.510 1.904 1.00 0.00 C ATOM 570 CD GLU A 34 -3.372 -1.503 2.650 1.00 0.00 C ATOM 571 OE1 GLU A 34 -3.909 -2.477 3.121 1.00 0.00 O ATOM 572 OE2 GLU A 34 -2.186 -1.289 2.749 1.00 0.00 O ATOM 573 H GLU A 34 -8.065 -0.778 3.164 1.00 0.00 H ATOM 574 HA GLU A 34 -5.527 -0.826 4.356 1.00 0.00 H ATOM 575 1HB GLU A 34 -5.994 -1.666 2.087 1.00 0.00 H ATOM 576 2HB GLU A 34 -6.251 -0.024 1.514 1.00 0.00 H ATOM 577 1HG GLU A 34 -4.082 -0.665 0.834 1.00 0.00 H ATOM 578 2HG GLU A 34 -3.882 0.498 2.143 1.00 0.00 H ATOM 579 N VAL A 35 -6.413 2.189 3.336 1.00 0.00 N ATOM 580 CA VAL A 35 -6.089 3.606 3.436 1.00 0.00 C ATOM 581 C VAL A 35 -6.156 4.086 4.880 1.00 0.00 C ATOM 582 O VAL A 35 -5.273 4.805 5.347 1.00 0.00 O ATOM 583 CB VAL A 35 -7.060 4.438 2.576 1.00 0.00 C ATOM 584 CG1 VAL A 35 -6.815 5.925 2.784 1.00 0.00 C ATOM 585 CG2 VAL A 35 -6.902 4.065 1.110 1.00 0.00 C ATOM 586 H VAL A 35 -7.249 1.907 2.843 1.00 0.00 H ATOM 587 HA VAL A 35 -5.076 3.758 3.064 1.00 0.00 H ATOM 588 HB VAL A 35 -8.081 4.233 2.897 1.00 0.00 H ATOM 589 1HG1 VAL A 35 -7.509 6.498 2.169 1.00 0.00 H ATOM 590 2HG1 VAL A 35 -6.968 6.176 3.834 1.00 0.00 H ATOM 591 3HG1 VAL A 35 -5.792 6.169 2.498 1.00 0.00 H ATOM 592 1HG2 VAL A 35 -7.592 4.656 0.508 1.00 0.00 H ATOM 593 2HG2 VAL A 35 -5.879 4.265 0.792 1.00 0.00 H ATOM 594 3HG2 VAL A 35 -7.123 3.006 0.978 1.00 0.00 H ATOM 595 N ARG A 36 -7.209 3.684 5.585 1.00 0.00 N ATOM 596 CA ARG A 36 -7.383 4.057 6.983 1.00 0.00 C ATOM 597 C ARG A 36 -6.213 3.576 7.831 1.00 0.00 C ATOM 598 O ARG A 36 -5.752 4.284 8.729 1.00 0.00 O ATOM 599 CB ARG A 36 -8.676 3.476 7.535 1.00 0.00 C ATOM 600 CG ARG A 36 -9.944 4.148 7.031 1.00 0.00 C ATOM 601 CD ARG A 36 -11.157 3.595 7.688 1.00 0.00 C ATOM 602 NE ARG A 36 -12.379 4.145 7.123 1.00 0.00 N ATOM 603 CZ ARG A 36 -12.876 5.362 7.416 1.00 0.00 C ATOM 604 NH1 ARG A 36 -12.247 6.141 8.268 1.00 0.00 N ATOM 605 NH2 ARG A 36 -13.997 5.772 6.848 1.00 0.00 N ATOM 606 H ARG A 36 -7.906 3.104 5.140 1.00 0.00 H ATOM 607 HA ARG A 36 -7.437 5.145 7.046 1.00 0.00 H ATOM 608 1HB ARG A 36 -8.740 2.420 7.279 1.00 0.00 H ATOM 609 2HB ARG A 36 -8.674 3.550 8.622 1.00 0.00 H ATOM 610 1HG ARG A 36 -9.898 5.217 7.241 1.00 0.00 H ATOM 611 2HG ARG A 36 -10.036 3.993 5.955 1.00 0.00 H ATOM 612 1HD ARG A 36 -11.179 2.513 7.558 1.00 0.00 H ATOM 613 2HD ARG A 36 -11.135 3.832 8.750 1.00 0.00 H ATOM 614 HE ARG A 36 -12.890 3.574 6.463 1.00 0.00 H ATOM 615 1HH1 ARG A 36 -11.391 5.828 8.703 1.00 0.00 H ATOM 616 2HH1 ARG A 36 -12.621 7.053 8.488 1.00 0.00 H ATOM 617 1HH2 ARG A 36 -14.480 5.172 6.194 1.00 0.00 H ATOM 618 2HH2 ARG A 36 -14.370 6.683 7.068 1.00 0.00 H ATOM 619 N ARG A 37 -5.734 2.371 7.542 1.00 0.00 N ATOM 620 CA ARG A 37 -4.613 1.796 8.276 1.00 0.00 C ATOM 621 C ARG A 37 -3.331 2.578 8.023 1.00 0.00 C ATOM 622 O ARG A 37 -2.504 2.741 8.921 1.00 0.00 O ATOM 623 CB ARG A 37 -4.403 0.342 7.880 1.00 0.00 C ATOM 624 CG ARG A 37 -5.472 -0.618 8.378 1.00 0.00 C ATOM 625 CD ARG A 37 -5.228 -2.005 7.907 1.00 0.00 C ATOM 626 NE ARG A 37 -6.267 -2.920 8.353 1.00 0.00 N ATOM 627 CZ ARG A 37 -6.228 -4.257 8.195 1.00 0.00 C ATOM 628 NH1 ARG A 37 -5.198 -4.819 7.602 1.00 0.00 N ATOM 629 NH2 ARG A 37 -7.225 -5.004 8.636 1.00 0.00 N ATOM 630 H ARG A 37 -6.159 1.839 6.796 1.00 0.00 H ATOM 631 HA ARG A 37 -4.840 1.832 9.341 1.00 0.00 H ATOM 632 1HB ARG A 37 -4.369 0.262 6.794 1.00 0.00 H ATOM 633 2HB ARG A 37 -3.444 -0.005 8.264 1.00 0.00 H ATOM 634 1HG ARG A 37 -5.477 -0.622 9.469 1.00 0.00 H ATOM 635 2HG ARG A 37 -6.448 -0.297 8.012 1.00 0.00 H ATOM 636 1HD ARG A 37 -5.205 -2.020 6.818 1.00 0.00 H ATOM 637 2HD ARG A 37 -4.274 -2.358 8.295 1.00 0.00 H ATOM 638 HE ARG A 37 -7.076 -2.524 8.813 1.00 0.00 H ATOM 639 1HH1 ARG A 37 -4.436 -4.248 7.264 1.00 0.00 H ATOM 640 2HH1 ARG A 37 -5.169 -5.821 7.484 1.00 0.00 H ATOM 641 1HH2 ARG A 37 -8.017 -4.572 9.092 1.00 0.00 H ATOM 642 2HH2 ARG A 37 -7.196 -6.006 8.518 1.00 0.00 H ATOM 643 N VAL A 38 -3.169 3.061 6.796 1.00 0.00 N ATOM 644 CA VAL A 38 -2.035 3.907 6.447 1.00 0.00 C ATOM 645 C VAL A 38 -2.104 5.246 7.170 1.00 0.00 C ATOM 646 O VAL A 38 -1.113 5.710 7.734 1.00 0.00 O ATOM 647 CB VAL A 38 -1.997 4.150 4.926 1.00 0.00 C ATOM 648 CG1 VAL A 38 -0.980 5.229 4.584 1.00 0.00 C ATOM 649 CG2 VAL A 38 -1.670 2.852 4.203 1.00 0.00 C ATOM 650 H VAL A 38 -3.851 2.835 6.085 1.00 0.00 H ATOM 651 HA VAL A 38 -1.117 3.396 6.744 1.00 0.00 H ATOM 652 HB VAL A 38 -2.972 4.512 4.601 1.00 0.00 H ATOM 653 1HG1 VAL A 38 -0.967 5.388 3.506 1.00 0.00 H ATOM 654 2HG1 VAL A 38 -1.254 6.158 5.084 1.00 0.00 H ATOM 655 3HG1 VAL A 38 0.009 4.915 4.916 1.00 0.00 H ATOM 656 1HG2 VAL A 38 -1.645 3.031 3.129 1.00 0.00 H ATOM 657 2HG2 VAL A 38 -0.697 2.487 4.533 1.00 0.00 H ATOM 658 3HG2 VAL A 38 -2.433 2.107 4.429 1.00 0.00 H ATOM 659 N ILE A 39 -3.281 5.863 7.152 1.00 0.00 N ATOM 660 CA ILE A 39 -3.469 7.172 7.765 1.00 0.00 C ATOM 661 C ILE A 39 -3.094 7.149 9.240 1.00 0.00 C ATOM 662 O ILE A 39 -2.443 8.067 9.740 1.00 0.00 O ATOM 663 CB ILE A 39 -4.926 7.645 7.613 1.00 0.00 C ATOM 664 CG1 ILE A 39 -5.234 7.963 6.147 1.00 0.00 C ATOM 665 CG2 ILE A 39 -5.185 8.861 8.490 1.00 0.00 C ATOM 666 CD1 ILE A 39 -6.707 8.142 5.858 1.00 0.00 C ATOM 667 H ILE A 39 -4.065 5.412 6.701 1.00 0.00 H ATOM 668 HA ILE A 39 -2.828 7.890 7.252 1.00 0.00 H ATOM 669 HB ILE A 39 -5.602 6.844 7.910 1.00 0.00 H ATOM 670 1HG1 ILE A 39 -4.715 8.875 5.856 1.00 0.00 H ATOM 671 2HG1 ILE A 39 -4.859 7.158 5.514 1.00 0.00 H ATOM 672 1HG2 ILE A 39 -6.219 9.183 8.369 1.00 0.00 H ATOM 673 2HG2 ILE A 39 -5.004 8.602 9.532 1.00 0.00 H ATOM 674 3HG2 ILE A 39 -4.516 9.670 8.196 1.00 0.00 H ATOM 675 1HD1 ILE A 39 -6.846 8.364 4.799 1.00 0.00 H ATOM 676 2HD1 ILE A 39 -7.242 7.226 6.110 1.00 0.00 H ATOM 677 3HD1 ILE A 39 -7.097 8.966 6.454 1.00 0.00 H ATOM 678 N LYS A 40 -3.507 6.094 9.935 1.00 0.00 N ATOM 679 CA LYS A 40 -3.257 5.974 11.366 1.00 0.00 C ATOM 680 C LYS A 40 -1.764 5.915 11.662 1.00 0.00 C ATOM 681 O LYS A 40 -1.340 6.105 12.802 1.00 0.00 O ATOM 682 CB LYS A 40 -3.953 4.733 11.929 1.00 0.00 C ATOM 683 CG LYS A 40 -5.471 4.837 11.990 1.00 0.00 C ATOM 684 CD LYS A 40 -6.093 3.548 12.504 1.00 0.00 C ATOM 685 CE LYS A 40 -7.611 3.647 12.559 1.00 0.00 C ATOM 686 NZ LYS A 40 -8.235 2.382 13.033 1.00 0.00 N ATOM 687 H LYS A 40 -4.007 5.358 9.458 1.00 0.00 H ATOM 688 HA LYS A 40 -3.679 6.846 11.865 1.00 0.00 H ATOM 689 1HB LYS A 40 -3.702 3.866 11.318 1.00 0.00 H ATOM 690 2HB LYS A 40 -3.590 4.539 12.938 1.00 0.00 H ATOM 691 1HG LYS A 40 -5.754 5.656 12.653 1.00 0.00 H ATOM 692 2HG LYS A 40 -5.862 5.048 10.995 1.00 0.00 H ATOM 693 1HD LYS A 40 -5.815 2.722 11.848 1.00 0.00 H ATOM 694 2HD LYS A 40 -5.717 3.336 13.505 1.00 0.00 H ATOM 695 1HE LYS A 40 -7.898 4.454 13.231 1.00 0.00 H ATOM 696 2HE LYS A 40 -7.996 3.877 11.566 1.00 0.00 H ATOM 697 1HZ LYS A 40 -9.239 2.489 13.054 1.00 0.00 H ATOM 698 2HZ LYS A 40 -7.990 1.629 12.405 1.00 0.00 H ATOM 699 3HZ LYS A 40 -7.900 2.168 13.961 1.00 0.00 H ATOM 700 N LYS A 41 -0.971 5.652 10.629 1.00 0.00 N ATOM 701 CA LYS A 41 0.475 5.549 10.780 1.00 0.00 C ATOM 702 C LYS A 41 1.172 6.811 10.286 1.00 0.00 C ATOM 703 O LYS A 41 2.195 7.220 10.835 1.00 0.00 O ATOM 704 CB LYS A 41 1.005 4.327 10.029 1.00 0.00 C ATOM 705 CG LYS A 41 0.541 2.991 10.595 1.00 0.00 C ATOM 706 CD LYS A 41 1.133 1.825 9.817 1.00 0.00 C ATOM 707 CE LYS A 41 0.670 0.490 10.381 1.00 0.00 C ATOM 708 NZ LYS A 41 1.227 -0.659 9.617 1.00 0.00 N ATOM 709 H LYS A 41 -1.382 5.520 9.715 1.00 0.00 H ATOM 710 HA LYS A 41 0.704 5.414 11.838 1.00 0.00 H ATOM 711 1HB LYS A 41 0.691 4.375 8.986 1.00 0.00 H ATOM 712 2HB LYS A 41 2.095 4.335 10.043 1.00 0.00 H ATOM 713 1HG LYS A 41 0.845 2.912 11.639 1.00 0.00 H ATOM 714 2HG LYS A 41 -0.546 2.934 10.546 1.00 0.00 H ATOM 715 1HD LYS A 41 0.830 1.894 8.771 1.00 0.00 H ATOM 716 2HD LYS A 41 2.221 1.871 9.865 1.00 0.00 H ATOM 717 1HE LYS A 41 0.984 0.406 11.420 1.00 0.00 H ATOM 718 2HE LYS A 41 -0.418 0.439 10.348 1.00 0.00 H ATOM 719 1HZ LYS A 41 0.896 -1.524 10.021 1.00 0.00 H ATOM 720 2HZ LYS A 41 0.926 -0.602 8.654 1.00 0.00 H ATOM 721 3HZ LYS A 41 2.235 -0.634 9.656 1.00 0.00 H ATOM 722 N VAL A 42 0.611 7.423 9.249 1.00 0.00 N ATOM 723 CA VAL A 42 1.216 8.599 8.636 1.00 0.00 C ATOM 724 C VAL A 42 0.859 9.865 9.405 1.00 0.00 C ATOM 725 O VAL A 42 1.714 10.715 9.651 1.00 0.00 O ATOM 726 CB VAL A 42 0.748 8.741 7.175 1.00 0.00 C ATOM 727 CG1 VAL A 42 1.267 10.038 6.573 1.00 0.00 C ATOM 728 CG2 VAL A 42 1.219 7.543 6.363 1.00 0.00 C ATOM 729 H VAL A 42 -0.256 7.064 8.876 1.00 0.00 H ATOM 730 HA VAL A 42 2.300 8.478 8.647 1.00 0.00 H ATOM 731 HB VAL A 42 -0.340 8.789 7.155 1.00 0.00 H ATOM 732 1HG1 VAL A 42 0.928 10.122 5.541 1.00 0.00 H ATOM 733 2HG1 VAL A 42 0.888 10.883 7.148 1.00 0.00 H ATOM 734 3HG1 VAL A 42 2.357 10.040 6.597 1.00 0.00 H ATOM 735 1HG2 VAL A 42 0.885 7.649 5.332 1.00 0.00 H ATOM 736 2HG2 VAL A 42 2.308 7.491 6.389 1.00 0.00 H ATOM 737 3HG2 VAL A 42 0.803 6.629 6.787 1.00 0.00 H ATOM 738 N SER A 43 -0.410 9.985 9.781 1.00 0.00 N ATOM 739 CA SER A 43 -0.909 11.197 10.419 1.00 0.00 C ATOM 740 C SER A 43 -0.393 11.321 11.847 1.00 0.00 C ATOM 741 O SER A 43 -0.144 10.319 12.517 1.00 0.00 O ATOM 742 OXT SER A 43 -0.223 12.406 12.332 1.00 0.00 O ATOM 743 CB SER A 43 -2.425 11.201 10.419 1.00 0.00 C ATOM 744 OG SER A 43 -2.925 12.320 11.098 1.00 0.00 O ATOM 745 H SER A 43 -1.045 9.216 9.622 1.00 0.00 H ATOM 746 HA SER A 43 -0.554 12.059 9.851 1.00 0.00 H ATOM 747 1HB SER A 43 -2.789 11.204 9.391 1.00 0.00 H ATOM 748 2HB SER A 43 -2.791 10.291 10.893 1.00 0.00 H ATOM 749 HG SER A 43 -3.834 12.108 11.325 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE nods_bigger.blueprint.44_try63_pass_20160922230234_0001_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_intra_sol_xover4 lk_ball_wtd fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun p_aa_pp yhh_planarity ref rama_prepro total weights 1 0.55 1 0.005 1 1 1 1.25 1 1 1 1 1.25 0.4 0.7 0.6 0.625 1 0.45 NA pose -251.115 28.552 172.364 0.56985 11.3894 -5.03424 -88.8629 0.12833 -28.4509 -1.84896 -4.39496 -16.7474 0 0.50749 60.5586 -11.6296 0 -6.20314 -13.8358 -154.053 PRO:NtermProteinFull_1 -3.37472 0.44138 3.78171 0.00399 0.08125 -0.50055 -1.02589 0.12833 0 0 0 0 0 0.00642 0.0784 0 0 -1.64321 0 -2.02289 GLU_2 -4.07551 0.46033 4.26375 0.0078 0.38896 -0.1283 -2.32633 0 0 0 0 -0.34035 0 -0.06419 3.01366 -0.31379 0 -2.72453 -0.29443 -2.13294 GLU_3 -3.53148 0.29072 3.33328 0.00619 0.26663 -0.25163 -0.04532 0 0 0 0 0 0 0.06418 2.63067 -0.15754 0 -2.72453 -0.51352 -0.63235 ILE_4 -8.19959 1.06778 2.62576 0.028 0.07216 -0.52728 -1.01014 0 0 0 0 0 0 -0.02103 0.1702 -0.4619 0 2.30374 -0.25769 -4.20999 LYS_5 -5.70322 0.59117 3.78788 0.00899 0.19226 -0.04622 -1.21963 0 0 0 0 0 0 -0.01418 0.86998 -0.02562 0 -0.71458 -0.08869 -2.36187 ARG_6 -5.99066 0.40164 6.41626 0.0106 0.19564 -0.38627 -3.55151 0 0 0 0 -0.34035 0 -0.02172 1.81493 -0.04808 0 -0.09474 -0.20259 -1.79686 GLU_7 -6.34591 0.30714 6.78612 0.00779 0.80419 0.10828 -4.51085 0 0 0 0 -1.1672 0 0.07442 2.77897 -0.30154 0 -2.72453 -0.42667 -4.60979 VAL_8 -9.13405 1.05393 1.60953 0.02071 0.05268 -0.16437 -1.98517 0 0 0 0 0 0 -0.05682 0.15858 -0.33816 0 2.64269 -0.30098 -6.44142 GLU_9 -6.11348 0.34971 5.47837 0.00875 0.34338 0.21108 -3.09872 0 0 0 0 -0.95855 0 -0.01438 2.66355 -0.0235 0 -2.72453 -0.13222 -4.01054 LYS_10 -6.07544 0.31375 6.76436 0.01359 0.21172 -0.33134 -3.55947 0 0 0 0 -0.57323 0 -0.02154 2.48102 0.04656 0 -0.71458 -0.25297 -1.69757 LEU_11 -9.11439 1.24725 3.54122 0.01581 0.07485 -0.23473 -1.90774 0 0 0 0 0 0 0.21074 0.38319 -0.27 0 1.66147 -0.29889 -4.69122 LEU_12 -7.67895 1.17975 3.28864 0.01592 0.07274 -0.32414 -1.56321 0 0 0 0 0 0 0.03841 0.59867 -0.22215 0 1.66147 -0.23859 -3.17145 ARG_13 -4.25449 0.36259 4.399 0.01409 0.34191 0.1514 -2.27615 0 0 0 0 -0.95855 0 -0.0558 1.8645 -0.17097 0 -0.09474 -0.37786 -1.05506 ASN_14 -3.99435 0.3038 3.61857 0.00667 0.29408 -0.43121 -0.40916 0 0 0 0 0 0 0.19625 1.60149 -0.26079 0 -1.34026 -0.58796 -1.00287 GLY_15 -1.96837 0.19969 2.04029 8e-05 0 -0.17039 -0.83452 0 0 0 0 0 0 -0.13461 0 -1.4346 0 0.79816 -0.59917 -2.10344 ILE_16 -6.89388 0.9679 2.64865 0.03276 0.08251 -0.26404 -1.07375 0 0 0 0 0 0 0.13662 0.88974 -0.53883 0 2.30374 -0.56325 -2.27182 SER_17 -4.50128 0.56772 5.26412 0.00169 0.0751 0.24396 -3.05077 0 0 0 -1.2382 -0.49105 0 0.11402 0.1388 -0.33594 0 -0.28969 -0.58824 -4.08975 GLU_18 -4.65323 0.59958 3.13106 0.00602 0.26338 0.09707 -1.45416 0 0 0 0 -0.72476 0 -0.04015 2.58322 -0.22881 0 -2.72453 -0.59493 -3.74025 GLU_19 -3.76919 0.26211 4.42163 0.0105 1.03471 0.34432 -2.43607 0 0 0 0 -1.61005 0 0.13648 3.01547 -0.27493 0 -2.72453 -0.50558 -2.09514 GLU_20 -6.28506 0.72541 6.13219 0.00523 0.26353 0.00941 -3.52405 0 0 0 -1.2382 -0.49105 0 0.01308 3.58032 -0.25286 0 -2.72453 -0.51905 -4.30564 ILE_21 -11.0636 1.892 2.09103 0.02922 0.07376 -0.17125 -1.91757 0 0 0 0 0 0 0.03418 0.11246 -0.33612 0 2.30374 -0.32259 -7.27475 VAL_22 -7.89207 1.32893 3.44625 0.01952 0.053 -0.38451 -2.00594 0 0 0 0 0 0 -0.01038 0.00484 -0.17626 0 2.64269 -0.04864 -3.02258 GLU_23 -5.75878 0.38181 5.83578 0.01091 1.06391 -0.07146 -2.84342 0 0 0 0 -0.83791 0 -0.01264 2.84901 -0.20052 0 -2.72453 -0.2365 -2.54434 ILE_24 -7.30028 0.66547 2.96799 0.02829 0.07361 -0.36188 -1.43776 0 0 0 0 0 0 -0.0357 0.14827 -0.37001 0 2.30374 -0.25919 -3.57745 LEU_25 -9.32874 1.10001 3.11022 0.03011 0.1223 -0.27264 -2.19117 0 0 0 0 0 0 -0.01429 3.31977 -0.25344 0 1.66147 -0.14409 -2.86049 LYS_26 -5.84841 0.63065 6.31127 0.00854 0.2047 -0.05007 -3.90335 0 0 0 0 -0.45452 0 -0.03762 1.31715 -0.02146 0 -0.71458 -0.34142 -2.89912 ARG_27 -4.18061 0.4078 4.37981 0.01083 0.21511 -0.0402 -2.12075 0 0 0 0 -0.83791 0 -0.06332 1.66908 -0.09744 0 -0.09474 -0.49193 -1.24425 ARG_28 -5.45002 0.69563 4.42305 0.01186 0.23814 -0.21708 -1.72506 0 0 0 0 -0.59397 0 -0.02132 1.55494 -0.04787 0 -0.09474 -0.53237 -1.75881 GLY_29 -1.79258 0.13937 1.75228 7e-05 0 -0.18216 -0.83048 0 0 0 0 0 0 -0.15275 0 -1.48048 0 0.79816 -0.56063 -2.30919 ILE_30 -5.86743 0.95279 2.21884 0.03211 0.08248 -0.12607 -0.26885 0 0 0 0 0 0 -0.02845 0.86945 -0.57994 0 2.30374 -0.54033 -0.95168 ASP_31 -3.89002 0.46765 4.42977 0.00331 0.54079 -0.04403 -2.66038 0 0 0 -0.95928 0 0 -0.00303 2.51178 -0.33868 0 -2.14574 -0.31726 -2.40512 GLU_32 -5.47359 0.38136 5.98443 0.00858 0.34406 0.27842 -4.08665 0 0 0 0 -1.43794 0 0.15497 2.67374 -0.04184 0 -2.72453 -0.18599 -4.12499 GLU_33 -5.27357 0.42417 5.90763 0.01198 1.11215 -0.09811 -2.94897 0 0 0 0 -0.80589 0 0.0974 2.90702 -0.1842 0 -2.72453 -0.33462 -1.90955 GLU_34 -5.56856 0.56785 4.86841 0.01123 0.9928 -0.22315 -2.76572 0 0 0 -0.95928 0 0 -0.0243 3.04708 -0.09306 0 -2.72453 -0.34444 -3.21567 VAL_35 -8.79986 1.47219 2.00107 0.01867 0.05297 -0.18958 -1.96632 0 0 0 0 0 0 -0.03524 0.01722 -0.3198 0 2.64269 -0.21349 -5.31947 ARG_36 -8.16758 0.67499 7.12138 0.01428 0.33649 0.40184 -4.68454 0 0 0 0 -2.59348 0 -0.01816 2.12856 -0.14017 0 -0.09474 -0.31562 -5.33675 ARG_37 -5.82531 0.34411 5.72963 0.01069 0.19974 -0.0646 -2.76447 0 0 0 0 -0.80589 0 0.27073 1.50657 -0.13774 0 -0.09474 -0.47945 -2.11073 VAL_38 -7.57019 1.18969 2.97163 0.02052 0.05335 -0.11663 -2.31284 0 0 0 0 0 0 -0.04747 0.11908 -0.35551 0 2.64269 -0.31505 -3.72073 ILE_39 -9.40351 1.628 3.1068 0.02882 0.07432 -0.1518 -1.83823 0 0 0 0 0 0 -0.01345 0.16326 -0.26589 0 2.30374 -0.08676 -4.4547 LYS_40 -3.40024 0.2554 3.04005 0.00733 0.13455 -0.19117 -0.76888 0 0 0 0 0 0 -0.08641 0.9747 -0.0247 0 -0.71458 -0.25447 -1.0284 LYS_41 -3.24194 0.52053 3.16355 0.00728 0.12267 -0.14157 -0.44892 0 0 0 0 0 0 -0.0428 1.07481 -0.1903 0 -0.71458 -0.20245 -0.09372 VAL_42 -5.25551 0.57304 1.08997 0.0186 0.05325 -0.13811 -0.19801 0 0 0 0 0 0 0.05132 -0.0105 -0.36069 0 2.64269 0.03207 -1.50188 SER:CtermProteinFull_43 -3.1053 0.1652 3.08108 0.00195 0.13358 0.1165 -1.31204 0 0 0 0 -0.72476 0 0 0.28498 0 0 -0.28969 0.0027 -1.64579 #END_POSE_ENERGIES_TABLE nods_bigger.blueprint.44_try63_pass_20160922230234_0001_0001.pdb AlaCount 0 bb -0.042989 buried_minus_exposed 3787.78 buried_np 5397.39 buried_over_exposed 3.35321 cavity_volume 0 contact_all 262 contact_core_SASA 262 contact_core_SCN 131 degree 9.88372 dslf_quality_check 0 entropy 0 exposed_hydrophobics 1609.61 exposed_polars 1694.21 exposed_total 3303.82 fxn_exposed_is_np 0.487197 helix_sc 0.785608 holes -0.997664 loop_sc 0.823103 mean_dslf 0 mismatch_probability 0.0762175 one_core_each 1 pack 0.60628 percent_core_SASA 0.186003 percent_core_SCN 0.232504 res_count_core_SASA 8 res_count_core_SCN 10 ss_contributes_core 1 ss_sc 0.794387 two_core_each 1 unsat_hbond 2 unsat_hbond2 1
HHH_rd4_0019.pdb
ATOM 1 N ASP A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA ASP A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C ASP A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O ASP A 1 1.711 2.212 -0.894 1.00 0.00 O ATOM 5 CB ASP A 1 1.994 -0.762 -1.214 1.00 0.00 C ATOM 6 CG ASP A 1 3.500 -0.982 -1.158 1.00 0.00 C ATOM 7 OD1 ASP A 1 4.166 -0.232 -0.484 1.00 0.00 O ATOM 8 OD2 ASP A 1 3.970 -1.899 -1.789 1.00 0.00 O ATOM 9 1H ASP A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 10 2H ASP A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 11 3H ASP A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 12 HA ASP A 1 1.820 -0.555 0.878 1.00 0.00 H ATOM 13 1HB ASP A 1 1.502 -1.732 -1.282 1.00 0.00 H ATOM 14 2HB ASP A 1 1.757 -0.210 -2.124 1.00 0.00 H ATOM 15 N ASP A 2 2.814 1.738 1.008 1.00 0.00 N ATOM 16 CA ASP A 2 3.369 3.077 1.154 1.00 0.00 C ATOM 17 C ASP A 2 4.134 3.495 -0.095 1.00 0.00 C ATOM 18 O ASP A 2 4.198 4.679 -0.429 1.00 0.00 O ATOM 19 CB ASP A 2 4.293 3.146 2.372 1.00 0.00 C ATOM 20 CG ASP A 2 3.539 3.067 3.693 1.00 0.00 C ATOM 21 OD1 ASP A 2 2.339 3.206 3.678 1.00 0.00 O ATOM 22 OD2 ASP A 2 4.170 2.868 4.703 1.00 0.00 O ATOM 23 H ASP A 2 3.049 1.031 1.691 1.00 0.00 H ATOM 24 HA ASP A 2 2.547 3.777 1.310 1.00 0.00 H ATOM 25 1HB ASP A 2 5.011 2.327 2.331 1.00 0.00 H ATOM 26 2HB ASP A 2 4.858 4.078 2.348 1.00 0.00 H ATOM 27 N ARG A 3 4.714 2.518 -0.783 1.00 0.00 N ATOM 28 CA ARG A 3 5.506 2.785 -1.977 1.00 0.00 C ATOM 29 C ARG A 3 4.671 3.473 -3.049 1.00 0.00 C ATOM 30 O ARG A 3 5.172 4.315 -3.795 1.00 0.00 O ATOM 31 CB ARG A 3 6.082 1.493 -2.539 1.00 0.00 C ATOM 32 CG ARG A 3 7.170 0.856 -1.690 1.00 0.00 C ATOM 33 CD ARG A 3 7.759 -0.335 -2.354 1.00 0.00 C ATOM 34 NE ARG A 3 6.803 -1.426 -2.456 1.00 0.00 N ATOM 35 CZ ARG A 3 7.033 -2.587 -3.100 1.00 0.00 C ATOM 36 NH1 ARG A 3 8.188 -2.791 -3.694 1.00 0.00 N ATOM 37 NH2 ARG A 3 6.097 -3.520 -3.135 1.00 0.00 N ATOM 38 H ARG A 3 4.602 1.563 -0.470 1.00 0.00 H ATOM 39 HA ARG A 3 6.333 3.442 -1.703 1.00 0.00 H ATOM 40 1HB ARG A 3 5.285 0.761 -2.656 1.00 0.00 H ATOM 41 2HB ARG A 3 6.502 1.681 -3.527 1.00 0.00 H ATOM 42 1HG ARG A 3 7.967 1.580 -1.516 1.00 0.00 H ATOM 43 2HG ARG A 3 6.750 0.543 -0.734 1.00 0.00 H ATOM 44 1HD ARG A 3 8.080 -0.069 -3.361 1.00 0.00 H ATOM 45 2HD ARG A 3 8.616 -0.685 -1.781 1.00 0.00 H ATOM 46 HE ARG A 3 5.903 -1.306 -2.011 1.00 0.00 H ATOM 47 1HH1 ARG A 3 8.903 -2.078 -3.667 1.00 0.00 H ATOM 48 2HH1 ARG A 3 8.360 -3.661 -4.177 1.00 0.00 H ATOM 49 1HH2 ARG A 3 5.209 -3.363 -2.679 1.00 0.00 H ATOM 50 2HH2 ARG A 3 6.269 -4.389 -3.618 1.00 0.00 H ATOM 51 N VAL A 4 3.396 3.110 -3.122 1.00 0.00 N ATOM 52 CA VAL A 4 2.485 3.702 -4.096 1.00 0.00 C ATOM 53 C VAL A 4 2.148 5.141 -3.730 1.00 0.00 C ATOM 54 O VAL A 4 2.220 6.038 -4.572 1.00 0.00 O ATOM 55 CB VAL A 4 1.186 2.879 -4.181 1.00 0.00 C ATOM 56 CG1 VAL A 4 0.169 3.581 -5.069 1.00 0.00 C ATOM 57 CG2 VAL A 4 1.489 1.485 -4.708 1.00 0.00 C ATOM 58 H VAL A 4 3.048 2.407 -2.487 1.00 0.00 H ATOM 59 HA VAL A 4 2.969 3.692 -5.073 1.00 0.00 H ATOM 60 HB VAL A 4 0.747 2.805 -3.186 1.00 0.00 H ATOM 61 1HG1 VAL A 4 -0.744 2.986 -5.118 1.00 0.00 H ATOM 62 2HG1 VAL A 4 -0.061 4.562 -4.653 1.00 0.00 H ATOM 63 3HG1 VAL A 4 0.580 3.697 -6.071 1.00 0.00 H ATOM 64 1HG2 VAL A 4 0.566 0.909 -4.765 1.00 0.00 H ATOM 65 2HG2 VAL A 4 1.933 1.559 -5.701 1.00 0.00 H ATOM 66 3HG2 VAL A 4 2.187 0.986 -4.035 1.00 0.00 H ATOM 67 N ARG A 5 1.779 5.358 -2.473 1.00 0.00 N ATOM 68 CA ARG A 5 1.461 6.694 -1.985 1.00 0.00 C ATOM 69 C ARG A 5 2.594 7.671 -2.278 1.00 0.00 C ATOM 70 O ARG A 5 2.356 8.804 -2.697 1.00 0.00 O ATOM 71 CB ARG A 5 1.191 6.669 -0.488 1.00 0.00 C ATOM 72 CG ARG A 5 0.807 8.010 0.115 1.00 0.00 C ATOM 73 CD ARG A 5 0.512 7.895 1.567 1.00 0.00 C ATOM 74 NE ARG A 5 -0.678 7.098 1.816 1.00 0.00 N ATOM 75 CZ ARG A 5 -1.940 7.564 1.747 1.00 0.00 C ATOM 76 NH1 ARG A 5 -2.159 8.822 1.435 1.00 0.00 N ATOM 77 NH2 ARG A 5 -2.958 6.758 1.993 1.00 0.00 N ATOM 78 H ARG A 5 1.719 4.575 -1.836 1.00 0.00 H ATOM 79 HA ARG A 5 0.560 7.041 -2.493 1.00 0.00 H ATOM 80 1HB ARG A 5 0.384 5.969 -0.277 1.00 0.00 H ATOM 81 2HB ARG A 5 2.078 6.313 0.035 1.00 0.00 H ATOM 82 1HG ARG A 5 1.628 8.716 -0.013 1.00 0.00 H ATOM 83 2HG ARG A 5 -0.083 8.394 -0.387 1.00 0.00 H ATOM 84 1HD ARG A 5 1.353 7.421 2.072 1.00 0.00 H ATOM 85 2HD ARG A 5 0.351 8.888 1.985 1.00 0.00 H ATOM 86 HE ARG A 5 -0.549 6.125 2.060 1.00 0.00 H ATOM 87 1HH1 ARG A 5 -1.382 9.439 1.246 1.00 0.00 H ATOM 88 2HH1 ARG A 5 -3.105 9.172 1.383 1.00 0.00 H ATOM 89 1HH2 ARG A 5 -2.789 5.790 2.233 1.00 0.00 H ATOM 90 2HH2 ARG A 5 -3.902 7.107 1.941 1.00 0.00 H ATOM 91 N ARG A 6 3.825 7.225 -2.055 1.00 0.00 N ATOM 92 CA ARG A 6 4.995 8.063 -2.281 1.00 0.00 C ATOM 93 C ARG A 6 5.126 8.443 -3.750 1.00 0.00 C ATOM 94 O ARG A 6 5.422 9.592 -4.080 1.00 0.00 O ATOM 95 CB ARG A 6 6.261 7.348 -1.831 1.00 0.00 C ATOM 96 CG ARG A 6 6.414 7.206 -0.325 1.00 0.00 C ATOM 97 CD ARG A 6 7.595 6.380 0.032 1.00 0.00 C ATOM 98 NE ARG A 6 7.743 6.237 1.471 1.00 0.00 N ATOM 99 CZ ARG A 6 8.628 5.419 2.072 1.00 0.00 C ATOM 100 NH1 ARG A 6 9.437 4.678 1.346 1.00 0.00 N ATOM 101 NH2 ARG A 6 8.685 5.360 3.391 1.00 0.00 N ATOM 102 H ARG A 6 3.953 6.281 -1.720 1.00 0.00 H ATOM 103 HA ARG A 6 4.888 8.975 -1.692 1.00 0.00 H ATOM 104 1HB ARG A 6 6.285 6.348 -2.261 1.00 0.00 H ATOM 105 2HB ARG A 6 7.134 7.885 -2.202 1.00 0.00 H ATOM 106 1HG ARG A 6 6.537 8.192 0.123 1.00 0.00 H ATOM 107 2HG ARG A 6 5.524 6.729 0.088 1.00 0.00 H ATOM 108 1HD ARG A 6 7.487 5.385 -0.401 1.00 0.00 H ATOM 109 2HD ARG A 6 8.498 6.849 -0.359 1.00 0.00 H ATOM 110 HE ARG A 6 7.138 6.790 2.063 1.00 0.00 H ATOM 111 1HH1 ARG A 6 9.394 4.723 0.337 1.00 0.00 H ATOM 112 2HH1 ARG A 6 10.101 4.065 1.796 1.00 0.00 H ATOM 113 1HH2 ARG A 6 8.063 5.929 3.949 1.00 0.00 H ATOM 114 2HH2 ARG A 6 9.348 4.747 3.841 1.00 0.00 H ATOM 115 N LEU A 7 4.904 7.472 -4.629 1.00 0.00 N ATOM 116 CA LEU A 7 4.972 7.709 -6.066 1.00 0.00 C ATOM 117 C LEU A 7 3.908 8.703 -6.511 1.00 0.00 C ATOM 118 O LEU A 7 4.163 9.564 -7.355 1.00 0.00 O ATOM 119 CB LEU A 7 4.799 6.390 -6.830 1.00 0.00 C ATOM 120 CG LEU A 7 5.982 5.417 -6.753 1.00 0.00 C ATOM 121 CD1 LEU A 7 5.584 4.082 -7.369 1.00 0.00 C ATOM 122 CD2 LEU A 7 7.181 6.015 -7.472 1.00 0.00 C ATOM 123 H LEU A 7 4.681 6.546 -4.293 1.00 0.00 H ATOM 124 HA LEU A 7 5.955 8.118 -6.303 1.00 0.00 H ATOM 125 1HB LEU A 7 3.922 5.876 -6.440 1.00 0.00 H ATOM 126 2HB LEU A 7 4.625 6.617 -7.881 1.00 0.00 H ATOM 127 HG LEU A 7 6.239 5.238 -5.708 1.00 0.00 H ATOM 128 1HD1 LEU A 7 6.425 3.390 -7.314 1.00 0.00 H ATOM 129 2HD1 LEU A 7 4.737 3.667 -6.822 1.00 0.00 H ATOM 130 3HD1 LEU A 7 5.305 4.232 -8.411 1.00 0.00 H ATOM 131 1HD2 LEU A 7 8.022 5.325 -7.417 1.00 0.00 H ATOM 132 2HD2 LEU A 7 6.925 6.193 -8.518 1.00 0.00 H ATOM 133 3HD2 LEU A 7 7.455 6.960 -7.001 1.00 0.00 H ATOM 134 N VAL A 8 2.714 8.581 -5.942 1.00 0.00 N ATOM 135 CA VAL A 8 1.607 9.465 -6.284 1.00 0.00 C ATOM 136 C VAL A 8 1.887 10.896 -5.841 1.00 0.00 C ATOM 137 O VAL A 8 1.758 11.835 -6.627 1.00 0.00 O ATOM 138 CB VAL A 8 0.306 8.972 -5.624 1.00 0.00 C ATOM 139 CG1 VAL A 8 -0.808 9.990 -5.817 1.00 0.00 C ATOM 140 CG2 VAL A 8 -0.090 7.623 -6.205 1.00 0.00 C ATOM 141 H VAL A 8 2.570 7.857 -5.252 1.00 0.00 H ATOM 142 HA VAL A 8 1.476 9.454 -7.366 1.00 0.00 H ATOM 143 HB VAL A 8 0.468 8.872 -4.551 1.00 0.00 H ATOM 144 1HG1 VAL A 8 -1.721 9.625 -5.344 1.00 0.00 H ATOM 145 2HG1 VAL A 8 -0.518 10.937 -5.362 1.00 0.00 H ATOM 146 3HG1 VAL A 8 -0.987 10.137 -6.882 1.00 0.00 H ATOM 147 1HG2 VAL A 8 -1.011 7.280 -5.733 1.00 0.00 H ATOM 148 2HG2 VAL A 8 -0.247 7.721 -7.279 1.00 0.00 H ATOM 149 3HG2 VAL A 8 0.704 6.899 -6.019 1.00 0.00 H ATOM 150 N GLU A 9 2.272 11.056 -4.580 1.00 0.00 N ATOM 151 CA GLU A 9 2.549 12.374 -4.024 1.00 0.00 C ATOM 152 C GLU A 9 3.695 13.053 -4.761 1.00 0.00 C ATOM 153 O GLU A 9 3.604 14.227 -5.123 1.00 0.00 O ATOM 154 CB GLU A 9 2.881 12.266 -2.534 1.00 0.00 C ATOM 155 CG GLU A 9 3.175 13.597 -1.857 1.00 0.00 C ATOM 156 CD GLU A 9 3.455 13.457 -0.387 1.00 0.00 C ATOM 157 OE1 GLU A 9 3.336 12.367 0.120 1.00 0.00 O ATOM 158 OE2 GLU A 9 3.789 14.440 0.230 1.00 0.00 O ATOM 159 H GLU A 9 2.376 10.242 -3.990 1.00 0.00 H ATOM 160 HA GLU A 9 1.653 12.989 -4.128 1.00 0.00 H ATOM 161 1HB GLU A 9 2.047 11.800 -2.008 1.00 0.00 H ATOM 162 2HB GLU A 9 3.751 11.624 -2.401 1.00 0.00 H ATOM 163 1HG GLU A 9 4.039 14.054 -2.338 1.00 0.00 H ATOM 164 2HG GLU A 9 2.322 14.260 -1.998 1.00 0.00 H ATOM 165 N GLU A 10 4.773 12.309 -4.982 1.00 0.00 N ATOM 166 CA GLU A 10 5.947 12.844 -5.662 1.00 0.00 C ATOM 167 C GLU A 10 5.577 13.439 -7.014 1.00 0.00 C ATOM 168 O GLU A 10 5.926 14.581 -7.317 1.00 0.00 O ATOM 169 CB GLU A 10 7.001 11.750 -5.846 1.00 0.00 C ATOM 170 CG GLU A 10 8.278 12.216 -6.530 1.00 0.00 C ATOM 171 CD GLU A 10 9.309 11.128 -6.649 1.00 0.00 C ATOM 172 OE1 GLU A 10 9.039 10.032 -6.221 1.00 0.00 O ATOM 173 OE2 GLU A 10 10.367 11.394 -7.169 1.00 0.00 O ATOM 174 H GLU A 10 4.780 11.348 -4.671 1.00 0.00 H ATOM 175 HA GLU A 10 6.379 13.629 -5.040 1.00 0.00 H ATOM 176 1HB GLU A 10 7.273 11.339 -4.874 1.00 0.00 H ATOM 177 2HB GLU A 10 6.582 10.937 -6.439 1.00 0.00 H ATOM 178 1HG GLU A 10 8.032 12.579 -7.527 1.00 0.00 H ATOM 179 2HG GLU A 10 8.698 13.047 -5.964 1.00 0.00 H ATOM 180 N LEU A 11 4.869 12.660 -7.825 1.00 0.00 N ATOM 181 CA LEU A 11 4.473 13.099 -9.157 1.00 0.00 C ATOM 182 C LEU A 11 3.526 14.291 -9.085 1.00 0.00 C ATOM 183 O LEU A 11 3.629 15.226 -9.879 1.00 0.00 O ATOM 184 CB LEU A 11 3.800 11.948 -9.916 1.00 0.00 C ATOM 185 CG LEU A 11 4.724 10.795 -10.330 1.00 0.00 C ATOM 186 CD1 LEU A 11 3.887 9.643 -10.871 1.00 0.00 C ATOM 187 CD2 LEU A 11 5.716 11.288 -11.373 1.00 0.00 C ATOM 188 H LEU A 11 4.598 11.740 -7.509 1.00 0.00 H ATOM 189 HA LEU A 11 5.368 13.397 -9.704 1.00 0.00 H ATOM 190 1HB LEU A 11 3.012 11.533 -9.291 1.00 0.00 H ATOM 191 2HB LEU A 11 3.345 12.349 -10.822 1.00 0.00 H ATOM 192 HG LEU A 11 5.266 10.432 -9.456 1.00 0.00 H ATOM 193 1HD1 LEU A 11 4.543 8.824 -11.164 1.00 0.00 H ATOM 194 2HD1 LEU A 11 3.200 9.298 -10.098 1.00 0.00 H ATOM 195 3HD1 LEU A 11 3.320 9.982 -11.737 1.00 0.00 H ATOM 196 1HD2 LEU A 11 6.372 10.468 -11.666 1.00 0.00 H ATOM 197 2HD2 LEU A 11 5.175 11.650 -12.247 1.00 0.00 H ATOM 198 3HD2 LEU A 11 6.312 12.098 -10.954 1.00 0.00 H ATOM 199 N LEU A 12 2.605 14.251 -8.128 1.00 0.00 N ATOM 200 CA LEU A 12 1.626 15.320 -7.962 1.00 0.00 C ATOM 201 C LEU A 12 2.305 16.642 -7.632 1.00 0.00 C ATOM 202 O LEU A 12 1.887 17.700 -8.103 1.00 0.00 O ATOM 203 CB LEU A 12 0.630 14.957 -6.854 1.00 0.00 C ATOM 204 CG LEU A 12 -0.588 15.883 -6.726 1.00 0.00 C ATOM 205 CD1 LEU A 12 -1.381 15.861 -8.025 1.00 0.00 C ATOM 206 CD2 LEU A 12 -1.446 15.433 -5.553 1.00 0.00 C ATOM 207 H LEU A 12 2.581 13.462 -7.500 1.00 0.00 H ATOM 208 HA LEU A 12 1.075 15.432 -8.898 1.00 0.00 H ATOM 209 1HB LEU A 12 0.260 13.949 -7.034 1.00 0.00 H ATOM 210 2HB LEU A 12 1.154 14.966 -5.899 1.00 0.00 H ATOM 211 HG LEU A 12 -0.251 16.906 -6.557 1.00 0.00 H ATOM 212 1HD1 LEU A 12 -2.246 16.519 -7.934 1.00 0.00 H ATOM 213 2HD1 LEU A 12 -0.749 16.206 -8.843 1.00 0.00 H ATOM 214 3HD1 LEU A 12 -1.718 14.846 -8.228 1.00 0.00 H ATOM 215 1HD2 LEU A 12 -2.310 16.091 -5.461 1.00 0.00 H ATOM 216 2HD2 LEU A 12 -1.784 14.410 -5.721 1.00 0.00 H ATOM 217 3HD2 LEU A 12 -0.859 15.475 -4.635 1.00 0.00 H ATOM 218 N ARG A 13 3.353 16.576 -6.819 1.00 0.00 N ATOM 219 CA ARG A 13 4.119 17.763 -6.458 1.00 0.00 C ATOM 220 C ARG A 13 4.924 18.282 -7.642 1.00 0.00 C ATOM 221 O ARG A 13 5.055 19.491 -7.834 1.00 0.00 O ATOM 222 CB ARG A 13 5.061 17.461 -5.301 1.00 0.00 C ATOM 223 CG ARG A 13 4.382 17.287 -3.952 1.00 0.00 C ATOM 224 CD ARG A 13 5.366 17.021 -2.872 1.00 0.00 C ATOM 225 NE ARG A 13 4.719 16.819 -1.586 1.00 0.00 N ATOM 226 CZ ARG A 13 4.326 17.810 -0.763 1.00 0.00 C ATOM 227 NH1 ARG A 13 4.520 19.065 -1.106 1.00 0.00 N ATOM 228 NH2 ARG A 13 3.744 17.522 0.388 1.00 0.00 N ATOM 229 H ARG A 13 3.628 15.681 -6.442 1.00 0.00 H ATOM 230 HA ARG A 13 3.422 18.541 -6.141 1.00 0.00 H ATOM 231 1HB ARG A 13 5.614 16.547 -5.512 1.00 0.00 H ATOM 232 2HB ARG A 13 5.787 18.268 -5.204 1.00 0.00 H ATOM 233 1HG ARG A 13 3.834 18.196 -3.700 1.00 0.00 H ATOM 234 2HG ARG A 13 3.689 16.447 -3.999 1.00 0.00 H ATOM 235 1HD ARG A 13 5.935 16.123 -3.112 1.00 0.00 H ATOM 236 2HD ARG A 13 6.046 17.868 -2.783 1.00 0.00 H ATOM 237 HE ARG A 13 4.553 15.867 -1.288 1.00 0.00 H ATOM 238 1HH1 ARG A 13 4.964 19.285 -1.986 1.00 0.00 H ATOM 239 2HH1 ARG A 13 4.225 19.808 -0.490 1.00 0.00 H ATOM 240 1HH2 ARG A 13 3.595 16.558 0.652 1.00 0.00 H ATOM 241 2HH2 ARG A 13 3.449 18.265 1.004 1.00 0.00 H ATOM 242 N ARG A 14 5.461 17.361 -8.434 1.00 0.00 N ATOM 243 CA ARG A 14 6.229 17.723 -9.620 1.00 0.00 C ATOM 244 C ARG A 14 5.364 18.463 -10.632 1.00 0.00 C ATOM 245 O ARG A 14 5.832 19.374 -11.315 1.00 0.00 O ATOM 246 CB ARG A 14 6.821 16.484 -10.274 1.00 0.00 C ATOM 247 CG ARG A 14 7.996 15.868 -9.531 1.00 0.00 C ATOM 248 CD ARG A 14 8.519 14.666 -10.230 1.00 0.00 C ATOM 249 NE ARG A 14 9.542 13.988 -9.451 1.00 0.00 N ATOM 250 CZ ARG A 14 10.845 14.329 -9.436 1.00 0.00 C ATOM 251 NH1 ARG A 14 11.267 15.340 -10.163 1.00 0.00 N ATOM 252 NH2 ARG A 14 11.698 13.647 -8.693 1.00 0.00 N ATOM 253 H ARG A 14 5.334 16.385 -8.210 1.00 0.00 H ATOM 254 HA ARG A 14 7.047 18.377 -9.314 1.00 0.00 H ATOM 255 1HB ARG A 14 6.051 15.718 -10.366 1.00 0.00 H ATOM 256 2HB ARG A 14 7.159 16.730 -11.280 1.00 0.00 H ATOM 257 1HG ARG A 14 8.802 16.598 -9.456 1.00 0.00 H ATOM 258 2HG ARG A 14 7.679 15.572 -8.530 1.00 0.00 H ATOM 259 1HD ARG A 14 7.704 13.965 -10.407 1.00 0.00 H ATOM 260 2HD ARG A 14 8.956 14.961 -11.183 1.00 0.00 H ATOM 261 HE ARG A 14 9.255 13.204 -8.879 1.00 0.00 H ATOM 262 1HH1 ARG A 14 10.615 15.861 -10.731 1.00 0.00 H ATOM 263 2HH1 ARG A 14 12.244 15.596 -10.152 1.00 0.00 H ATOM 264 1HH2 ARG A 14 11.374 12.870 -8.134 1.00 0.00 H ATOM 265 2HH2 ARG A 14 12.675 13.903 -8.682 1.00 0.00 H ATOM 266 N GLY A 15 4.099 18.066 -10.724 1.00 0.00 N ATOM 267 CA GLY A 15 3.139 18.756 -11.577 1.00 0.00 C ATOM 268 C GLY A 15 2.537 17.810 -12.607 1.00 0.00 C ATOM 269 O GLY A 15 2.310 18.189 -13.755 1.00 0.00 O ATOM 270 H GLY A 15 3.795 17.265 -10.189 1.00 0.00 H ATOM 271 1HA GLY A 15 2.347 19.183 -10.962 1.00 0.00 H ATOM 272 2HA GLY A 15 3.633 19.584 -12.084 1.00 0.00 H ATOM 273 N TYR A 16 2.278 16.575 -12.188 1.00 0.00 N ATOM 274 CA TYR A 16 1.520 15.633 -13.002 1.00 0.00 C ATOM 275 C TYR A 16 0.047 15.630 -12.614 1.00 0.00 C ATOM 276 O TYR A 16 -0.294 15.710 -11.434 1.00 0.00 O ATOM 277 CB TYR A 16 2.105 14.224 -12.875 1.00 0.00 C ATOM 278 CG TYR A 16 3.433 14.049 -13.579 1.00 0.00 C ATOM 279 CD1 TYR A 16 4.610 14.400 -12.936 1.00 0.00 C ATOM 280 CD2 TYR A 16 3.472 13.536 -14.867 1.00 0.00 C ATOM 281 CE1 TYR A 16 5.823 14.240 -13.579 1.00 0.00 C ATOM 282 CE2 TYR A 16 4.684 13.376 -15.510 1.00 0.00 C ATOM 283 CZ TYR A 16 5.856 13.726 -14.870 1.00 0.00 C ATOM 284 OH TYR A 16 7.064 13.566 -15.510 1.00 0.00 O ATOM 285 H TYR A 16 2.616 16.282 -11.283 1.00 0.00 H ATOM 286 HA TYR A 16 1.605 15.932 -14.048 1.00 0.00 H ATOM 287 1HB TYR A 16 2.244 13.981 -11.821 1.00 0.00 H ATOM 288 2HB TYR A 16 1.403 13.500 -13.288 1.00 0.00 H ATOM 289 HD1 TYR A 16 4.579 14.803 -11.923 1.00 0.00 H ATOM 290 HD2 TYR A 16 2.547 13.261 -15.373 1.00 0.00 H ATOM 291 HE1 TYR A 16 6.748 14.516 -13.073 1.00 0.00 H ATOM 292 HE2 TYR A 16 4.716 12.974 -16.523 1.00 0.00 H ATOM 293 HH TYR A 16 6.914 13.210 -16.389 1.00 0.00 H ATOM 294 N ASP A 17 -0.823 15.537 -13.614 1.00 0.00 N ATOM 295 CA ASP A 17 -2.261 15.501 -13.377 1.00 0.00 C ATOM 296 C ASP A 17 -2.686 14.173 -12.764 1.00 0.00 C ATOM 297 O ASP A 17 -1.930 13.202 -12.782 1.00 0.00 O ATOM 298 CB ASP A 17 -3.026 15.736 -14.682 1.00 0.00 C ATOM 299 CG ASP A 17 -4.452 16.220 -14.454 1.00 0.00 C ATOM 300 OD1 ASP A 17 -4.874 16.252 -13.323 1.00 0.00 O ATOM 301 OD2 ASP A 17 -5.105 16.553 -15.414 1.00 0.00 O ATOM 302 H ASP A 17 -0.480 15.490 -14.563 1.00 0.00 H ATOM 303 HA ASP A 17 -2.516 16.299 -12.677 1.00 0.00 H ATOM 304 1HB ASP A 17 -2.498 16.476 -15.285 1.00 0.00 H ATOM 305 2HB ASP A 17 -3.059 14.810 -15.256 1.00 0.00 H ATOM 306 N LYS A 18 -3.899 14.137 -12.225 1.00 0.00 N ATOM 307 CA LYS A 18 -4.410 12.941 -11.566 1.00 0.00 C ATOM 308 C LYS A 18 -4.423 11.751 -12.517 1.00 0.00 C ATOM 309 O LYS A 18 -3.994 10.654 -12.160 1.00 0.00 O ATOM 310 CB LYS A 18 -5.815 13.190 -11.017 1.00 0.00 C ATOM 311 CG LYS A 18 -5.859 14.081 -9.782 1.00 0.00 C ATOM 312 CD LYS A 18 -7.262 14.145 -9.197 1.00 0.00 C ATOM 313 CE LYS A 18 -7.272 14.872 -7.860 1.00 0.00 C ATOM 314 NZ LYS A 18 -6.968 16.321 -8.012 1.00 0.00 N ATOM 315 H LYS A 18 -4.483 14.960 -12.272 1.00 0.00 H ATOM 316 HA LYS A 18 -3.759 12.706 -10.722 1.00 0.00 H ATOM 317 1HB LYS A 18 -6.430 13.657 -11.787 1.00 0.00 H ATOM 318 2HB LYS A 18 -6.280 12.238 -10.759 1.00 0.00 H ATOM 319 1HG LYS A 18 -5.177 13.689 -9.026 1.00 0.00 H ATOM 320 2HG LYS A 18 -5.539 15.088 -10.048 1.00 0.00 H ATOM 321 1HD LYS A 18 -7.922 14.668 -9.890 1.00 0.00 H ATOM 322 2HD LYS A 18 -7.643 13.134 -9.052 1.00 0.00 H ATOM 323 1HE LYS A 18 -8.251 14.765 -7.396 1.00 0.00 H ATOM 324 2HE LYS A 18 -6.530 14.426 -7.198 1.00 0.00 H ATOM 325 1HZ LYS A 18 -6.984 16.766 -7.105 1.00 0.00 H ATOM 326 2HZ LYS A 18 -6.053 16.432 -8.425 1.00 0.00 H ATOM 327 3HZ LYS A 18 -7.661 16.750 -8.609 1.00 0.00 H ATOM 328 N GLU A 19 -4.919 11.975 -13.729 1.00 0.00 N ATOM 329 CA GLU A 19 -5.044 10.908 -14.716 1.00 0.00 C ATOM 330 C GLU A 19 -3.677 10.460 -15.217 1.00 0.00 C ATOM 331 O GLU A 19 -3.467 9.282 -15.506 1.00 0.00 O ATOM 332 CB GLU A 19 -5.905 11.369 -15.893 1.00 0.00 C ATOM 333 CG GLU A 19 -7.364 11.622 -15.545 1.00 0.00 C ATOM 334 CD GLU A 19 -8.045 10.414 -14.964 1.00 0.00 C ATOM 335 OE1 GLU A 19 -7.978 9.370 -15.567 1.00 0.00 O ATOM 336 OE2 GLU A 19 -8.634 10.535 -13.916 1.00 0.00 O ATOM 337 H GLU A 19 -5.217 12.908 -13.974 1.00 0.00 H ATOM 338 HA GLU A 19 -5.540 10.059 -14.245 1.00 0.00 H ATOM 339 1HB GLU A 19 -5.495 12.291 -16.306 1.00 0.00 H ATOM 340 2HB GLU A 19 -5.876 10.616 -16.682 1.00 0.00 H ATOM 341 1HG GLU A 19 -7.418 12.437 -14.822 1.00 0.00 H ATOM 342 2HG GLU A 19 -7.893 11.935 -16.444 1.00 0.00 H ATOM 343 N GLN A 20 -2.750 11.407 -15.319 1.00 0.00 N ATOM 344 CA GLN A 20 -1.393 11.106 -15.760 1.00 0.00 C ATOM 345 C GLN A 20 -0.677 10.206 -14.762 1.00 0.00 C ATOM 346 O GLN A 20 0.049 9.289 -15.147 1.00 0.00 O ATOM 347 CB GLN A 20 -0.597 12.398 -15.964 1.00 0.00 C ATOM 348 CG GLN A 20 -1.052 13.229 -17.151 1.00 0.00 C ATOM 349 CD GLN A 20 -0.254 14.510 -17.301 1.00 0.00 C ATOM 350 OE1 GLN A 20 -0.048 15.246 -16.332 1.00 0.00 O ATOM 351 NE2 GLN A 20 0.200 14.785 -18.518 1.00 0.00 N ATOM 352 H GLN A 20 -2.991 12.360 -15.085 1.00 0.00 H ATOM 353 HA GLN A 20 -1.448 10.591 -16.720 1.00 0.00 H ATOM 354 1HB GLN A 20 -0.674 13.017 -15.070 1.00 0.00 H ATOM 355 2HB GLN A 20 0.457 12.158 -16.105 1.00 0.00 H ATOM 356 1HG GLN A 20 -0.928 12.642 -18.061 1.00 0.00 H ATOM 357 2HG GLN A 20 -2.101 13.493 -17.016 1.00 0.00 H ATOM 358 1HE2 GLN A 20 0.733 15.616 -18.678 1.00 0.00 H ATOM 359 2HE2 GLN A 20 0.010 14.160 -19.276 1.00 0.00 H ATOM 360 N ILE A 21 -0.884 10.471 -13.477 1.00 0.00 N ATOM 361 CA ILE A 21 -0.299 9.655 -12.421 1.00 0.00 C ATOM 362 C ILE A 21 -0.861 8.240 -12.442 1.00 0.00 C ATOM 363 O ILE A 21 -0.122 7.265 -12.301 1.00 0.00 O ATOM 364 CB ILE A 21 -0.546 10.286 -11.038 1.00 0.00 C ATOM 365 CG1 ILE A 21 0.249 11.587 -10.895 1.00 0.00 C ATOM 366 CG2 ILE A 21 -0.177 9.308 -9.934 1.00 0.00 C ATOM 367 CD1 ILE A 21 -0.146 12.414 -9.693 1.00 0.00 C ATOM 368 H ILE A 21 -1.464 11.260 -13.225 1.00 0.00 H ATOM 369 HA ILE A 21 0.779 9.606 -12.579 1.00 0.00 H ATOM 370 HB ILE A 21 -1.599 10.548 -10.941 1.00 0.00 H ATOM 371 1HG1 ILE A 21 1.311 11.357 -10.817 1.00 0.00 H ATOM 372 2HG1 ILE A 21 0.111 12.197 -11.788 1.00 0.00 H ATOM 373 1HG2 ILE A 21 -0.357 9.770 -8.963 1.00 0.00 H ATOM 374 2HG2 ILE A 21 -0.784 8.409 -10.026 1.00 0.00 H ATOM 375 3HG2 ILE A 21 0.878 9.044 -10.019 1.00 0.00 H ATOM 376 1HD1 ILE A 21 0.460 13.320 -9.659 1.00 0.00 H ATOM 377 2HD1 ILE A 21 -1.200 12.685 -9.768 1.00 0.00 H ATOM 378 3HD1 ILE A 21 0.016 11.836 -8.784 1.00 0.00 H ATOM 379 N VAL A 22 -2.173 8.133 -12.620 1.00 0.00 N ATOM 380 CA VAL A 22 -2.827 6.835 -12.739 1.00 0.00 C ATOM 381 C VAL A 22 -2.249 6.032 -13.897 1.00 0.00 C ATOM 382 O VAL A 22 -1.901 4.861 -13.740 1.00 0.00 O ATOM 383 CB VAL A 22 -4.342 7.017 -12.951 1.00 0.00 C ATOM 384 CG1 VAL A 22 -4.987 5.699 -13.350 1.00 0.00 C ATOM 385 CG2 VAL A 22 -4.979 7.567 -11.684 1.00 0.00 C ATOM 386 H VAL A 22 -2.732 8.973 -12.674 1.00 0.00 H ATOM 387 HA VAL A 22 -2.667 6.281 -11.814 1.00 0.00 H ATOM 388 HB VAL A 22 -4.504 7.715 -13.772 1.00 0.00 H ATOM 389 1HG1 VAL A 22 -6.057 5.846 -13.495 1.00 0.00 H ATOM 390 2HG1 VAL A 22 -4.541 5.341 -14.278 1.00 0.00 H ATOM 391 3HG1 VAL A 22 -4.827 4.962 -12.562 1.00 0.00 H ATOM 392 1HG2 VAL A 22 -6.050 7.695 -11.840 1.00 0.00 H ATOM 393 2HG2 VAL A 22 -4.812 6.872 -10.861 1.00 0.00 H ATOM 394 3HG2 VAL A 22 -4.532 8.532 -11.441 1.00 0.00 H ATOM 395 N GLU A 23 -2.149 6.666 -15.060 1.00 0.00 N ATOM 396 CA GLU A 23 -1.605 6.014 -16.245 1.00 0.00 C ATOM 397 C GLU A 23 -0.197 5.491 -15.989 1.00 0.00 C ATOM 398 O GLU A 23 0.106 4.332 -16.273 1.00 0.00 O ATOM 399 CB GLU A 23 -1.592 6.983 -17.429 1.00 0.00 C ATOM 400 CG GLU A 23 -1.047 6.390 -18.720 1.00 0.00 C ATOM 401 CD GLU A 23 -1.052 7.369 -19.861 1.00 0.00 C ATOM 402 OE1 GLU A 23 -1.526 8.465 -19.677 1.00 0.00 O ATOM 403 OE2 GLU A 23 -0.582 7.021 -20.919 1.00 0.00 O ATOM 404 H GLU A 23 -2.457 7.626 -15.124 1.00 0.00 H ATOM 405 HA GLU A 23 -2.250 5.172 -16.503 1.00 0.00 H ATOM 406 1HB GLU A 23 -2.606 7.333 -17.624 1.00 0.00 H ATOM 407 2HB GLU A 23 -0.987 7.855 -17.179 1.00 0.00 H ATOM 408 1HG GLU A 23 -0.024 6.054 -18.550 1.00 0.00 H ATOM 409 2HG GLU A 23 -1.645 5.522 -18.991 1.00 0.00 H ATOM 410 N ARG A 24 0.659 6.353 -15.451 1.00 0.00 N ATOM 411 CA ARG A 24 2.052 5.997 -15.208 1.00 0.00 C ATOM 412 C ARG A 24 2.160 4.798 -14.275 1.00 0.00 C ATOM 413 O ARG A 24 2.839 3.819 -14.584 1.00 0.00 O ATOM 414 CB ARG A 24 2.807 7.173 -14.606 1.00 0.00 C ATOM 415 CG ARG A 24 3.100 8.308 -15.574 1.00 0.00 C ATOM 416 CD ARG A 24 3.648 9.499 -14.875 1.00 0.00 C ATOM 417 NE ARG A 24 4.943 9.226 -14.273 1.00 0.00 N ATOM 418 CZ ARG A 24 6.126 9.388 -14.897 1.00 0.00 C ATOM 419 NH1 ARG A 24 6.161 9.821 -16.138 1.00 0.00 N ATOM 420 NH2 ARG A 24 7.252 9.112 -14.261 1.00 0.00 N ATOM 421 H ARG A 24 0.337 7.277 -15.204 1.00 0.00 H ATOM 422 HA ARG A 24 2.515 5.742 -16.162 1.00 0.00 H ATOM 423 1HB ARG A 24 2.234 7.587 -13.777 1.00 0.00 H ATOM 424 2HB ARG A 24 3.760 6.827 -14.205 1.00 0.00 H ATOM 425 1HG ARG A 24 3.831 7.977 -16.312 1.00 0.00 H ATOM 426 2HG ARG A 24 2.180 8.601 -16.081 1.00 0.00 H ATOM 427 1HD ARG A 24 3.768 10.315 -15.587 1.00 0.00 H ATOM 428 2HD ARG A 24 2.963 9.805 -14.086 1.00 0.00 H ATOM 429 HE ARG A 24 4.957 8.891 -13.319 1.00 0.00 H ATOM 430 1HH1 ARG A 24 5.301 10.032 -16.624 1.00 0.00 H ATOM 431 2HH1 ARG A 24 7.048 9.943 -16.605 1.00 0.00 H ATOM 432 1HH2 ARG A 24 7.225 8.779 -13.307 1.00 0.00 H ATOM 433 2HH2 ARG A 24 8.138 9.233 -14.729 1.00 0.00 H ATOM 434 N LEU A 25 1.486 4.880 -13.134 1.00 0.00 N ATOM 435 CA LEU A 25 1.625 3.874 -12.087 1.00 0.00 C ATOM 436 C LEU A 25 0.902 2.587 -12.462 1.00 0.00 C ATOM 437 O LEU A 25 1.354 1.491 -12.131 1.00 0.00 O ATOM 438 CB LEU A 25 1.074 4.410 -10.760 1.00 0.00 C ATOM 439 CG LEU A 25 2.077 5.167 -9.880 1.00 0.00 C ATOM 440 CD1 LEU A 25 2.622 6.365 -10.647 1.00 0.00 C ATOM 441 CD2 LEU A 25 1.394 5.607 -8.594 1.00 0.00 C ATOM 442 H LEU A 25 0.861 5.660 -12.986 1.00 0.00 H ATOM 443 HA LEU A 25 2.685 3.655 -11.957 1.00 0.00 H ATOM 444 1HB LEU A 25 0.247 5.084 -10.974 1.00 0.00 H ATOM 445 2HB LEU A 25 0.691 3.571 -10.179 1.00 0.00 H ATOM 446 HG LEU A 25 2.917 4.514 -9.641 1.00 0.00 H ATOM 447 1HD1 LEU A 25 3.335 6.903 -10.022 1.00 0.00 H ATOM 448 2HD1 LEU A 25 3.122 6.020 -11.552 1.00 0.00 H ATOM 449 3HD1 LEU A 25 1.802 7.029 -10.915 1.00 0.00 H ATOM 450 1HD2 LEU A 25 2.107 6.144 -7.968 1.00 0.00 H ATOM 451 2HD2 LEU A 25 0.555 6.261 -8.832 1.00 0.00 H ATOM 452 3HD2 LEU A 25 1.030 4.730 -8.058 1.00 0.00 H ATOM 453 N LYS A 26 -0.223 2.726 -13.154 1.00 0.00 N ATOM 454 CA LYS A 26 -0.970 1.573 -13.642 1.00 0.00 C ATOM 455 C LYS A 26 -0.111 0.704 -14.551 1.00 0.00 C ATOM 456 O LYS A 26 -0.142 -0.523 -14.464 1.00 0.00 O ATOM 457 CB LYS A 26 -2.229 2.025 -14.383 1.00 0.00 C ATOM 458 CG LYS A 26 -3.106 0.886 -14.886 1.00 0.00 C ATOM 459 CD LYS A 26 -4.424 1.406 -15.439 1.00 0.00 C ATOM 460 CE LYS A 26 -5.291 0.272 -15.966 1.00 0.00 C ATOM 461 NZ LYS A 26 -6.641 0.746 -16.375 1.00 0.00 N ATOM 462 H LYS A 26 -0.570 3.655 -13.348 1.00 0.00 H ATOM 463 HA LYS A 26 -1.285 0.977 -12.784 1.00 0.00 H ATOM 464 1HB LYS A 26 -2.836 2.648 -13.723 1.00 0.00 H ATOM 465 2HB LYS A 26 -1.947 2.635 -15.241 1.00 0.00 H ATOM 466 1HG LYS A 26 -2.581 0.342 -15.673 1.00 0.00 H ATOM 467 2HG LYS A 26 -3.312 0.196 -14.067 1.00 0.00 H ATOM 468 1HD LYS A 26 -4.967 1.932 -14.653 1.00 0.00 H ATOM 469 2HD LYS A 26 -4.227 2.106 -16.251 1.00 0.00 H ATOM 470 1HE LYS A 26 -4.805 -0.189 -16.826 1.00 0.00 H ATOM 471 2HE LYS A 26 -5.406 -0.488 -15.193 1.00 0.00 H ATOM 472 1HZ LYS A 26 -7.184 -0.034 -16.717 1.00 0.00 H ATOM 473 2HZ LYS A 26 -7.109 1.158 -15.580 1.00 0.00 H ATOM 474 3HZ LYS A 26 -6.548 1.437 -17.106 1.00 0.00 H ATOM 475 N LYS A 27 0.655 1.348 -15.425 1.00 0.00 N ATOM 476 CA LYS A 27 1.557 0.638 -16.324 1.00 0.00 C ATOM 477 C LYS A 27 2.655 -0.080 -15.549 1.00 0.00 C ATOM 478 O LYS A 27 3.202 -1.081 -16.012 1.00 0.00 O ATOM 479 CB LYS A 27 2.173 1.603 -17.338 1.00 0.00 C ATOM 480 CG LYS A 27 1.205 2.094 -18.406 1.00 0.00 C ATOM 481 CD LYS A 27 1.869 3.105 -19.330 1.00 0.00 C ATOM 482 CE LYS A 27 0.915 3.568 -20.421 1.00 0.00 C ATOM 483 NZ LYS A 27 1.523 4.618 -21.283 1.00 0.00 N ATOM 484 H LYS A 27 0.613 2.357 -15.467 1.00 0.00 H ATOM 485 HA LYS A 27 0.979 -0.103 -16.879 1.00 0.00 H ATOM 486 1HB LYS A 27 2.567 2.475 -16.817 1.00 0.00 H ATOM 487 2HB LYS A 27 3.009 1.117 -17.841 1.00 0.00 H ATOM 488 1HG LYS A 27 0.856 1.248 -18.999 1.00 0.00 H ATOM 489 2HG LYS A 27 0.344 2.561 -17.930 1.00 0.00 H ATOM 490 1HD LYS A 27 2.192 3.971 -18.750 1.00 0.00 H ATOM 491 2HD LYS A 27 2.745 2.653 -19.794 1.00 0.00 H ATOM 492 1HE LYS A 27 0.638 2.720 -21.045 1.00 0.00 H ATOM 493 2HE LYS A 27 0.009 3.969 -19.967 1.00 0.00 H ATOM 494 1HZ LYS A 27 0.861 4.898 -21.992 1.00 0.00 H ATOM 495 2HZ LYS A 27 1.768 5.419 -20.717 1.00 0.00 H ATOM 496 3HZ LYS A 27 2.354 4.252 -21.725 1.00 0.00 H ATOM 497 N GLN A 28 2.973 0.438 -14.368 1.00 0.00 N ATOM 498 CA GLN A 28 3.974 -0.179 -13.505 1.00 0.00 C ATOM 499 C GLN A 28 3.412 -1.405 -12.798 1.00 0.00 C ATOM 500 O GLN A 28 4.132 -2.109 -12.089 1.00 0.00 O ATOM 501 CB GLN A 28 4.488 0.830 -12.474 1.00 0.00 C ATOM 502 CG GLN A 28 5.268 1.988 -13.072 1.00 0.00 C ATOM 503 CD GLN A 28 5.639 3.032 -12.036 1.00 0.00 C ATOM 504 OE1 GLN A 28 5.815 2.720 -10.855 1.00 0.00 O ATOM 505 NE2 GLN A 28 5.759 4.281 -12.473 1.00 0.00 N ATOM 506 H GLN A 28 2.510 1.280 -14.058 1.00 0.00 H ATOM 507 HA GLN A 28 4.812 -0.503 -14.124 1.00 0.00 H ATOM 508 1HB GLN A 28 3.647 1.242 -11.918 1.00 0.00 H ATOM 509 2HB GLN A 28 5.136 0.322 -11.760 1.00 0.00 H ATOM 510 1HG GLN A 28 6.187 1.604 -13.515 1.00 0.00 H ATOM 511 2HG GLN A 28 4.657 2.468 -13.837 1.00 0.00 H ATOM 512 1HE2 GLN A 28 6.002 5.013 -11.835 1.00 0.00 H ATOM 513 2HE2 GLN A 28 5.607 4.490 -13.439 1.00 0.00 H ATOM 514 N GLY A 29 2.122 -1.654 -12.992 1.00 0.00 N ATOM 515 CA GLY A 29 1.468 -2.815 -12.400 1.00 0.00 C ATOM 516 C GLY A 29 0.864 -2.474 -11.044 1.00 0.00 C ATOM 517 O GLY A 29 0.546 -3.364 -10.255 1.00 0.00 O ATOM 518 H GLY A 29 1.580 -1.024 -13.567 1.00 0.00 H ATOM 519 1HA GLY A 29 0.687 -3.174 -13.071 1.00 0.00 H ATOM 520 2HA GLY A 29 2.191 -3.623 -12.288 1.00 0.00 H ATOM 521 N ILE A 30 0.710 -1.182 -10.778 1.00 0.00 N ATOM 522 CA ILE A 30 0.143 -0.721 -9.517 1.00 0.00 C ATOM 523 C ILE A 30 -1.372 -0.589 -9.609 1.00 0.00 C ATOM 524 O ILE A 30 -1.898 -0.036 -10.574 1.00 0.00 O ATOM 525 CB ILE A 30 0.752 0.631 -9.103 1.00 0.00 C ATOM 526 CG1 ILE A 30 2.251 0.480 -8.829 1.00 0.00 C ATOM 527 CG2 ILE A 30 0.037 1.184 -7.880 1.00 0.00 C ATOM 528 CD1 ILE A 30 2.988 1.795 -8.726 1.00 0.00 C ATOM 529 H ILE A 30 0.992 -0.501 -11.468 1.00 0.00 H ATOM 530 HA ILE A 30 0.377 -1.453 -8.745 1.00 0.00 H ATOM 531 HB ILE A 30 0.652 1.342 -9.923 1.00 0.00 H ATOM 532 1HG1 ILE A 30 2.397 -0.068 -7.899 1.00 0.00 H ATOM 533 2HG1 ILE A 30 2.709 -0.105 -9.627 1.00 0.00 H ATOM 534 1HG2 ILE A 30 0.481 2.140 -7.600 1.00 0.00 H ATOM 535 2HG2 ILE A 30 -1.018 1.327 -8.109 1.00 0.00 H ATOM 536 3HG2 ILE A 30 0.137 0.482 -7.052 1.00 0.00 H ATOM 537 1HD1 ILE A 30 4.044 1.606 -8.531 1.00 0.00 H ATOM 538 2HD1 ILE A 30 2.884 2.346 -9.661 1.00 0.00 H ATOM 539 3HD1 ILE A 30 2.570 2.383 -7.910 1.00 0.00 H ATOM 540 N ASP A 31 -2.069 -1.100 -8.599 1.00 0.00 N ATOM 541 CA ASP A 31 -3.526 -1.080 -8.586 1.00 0.00 C ATOM 542 C ASP A 31 -4.061 0.319 -8.865 1.00 0.00 C ATOM 543 O ASP A 31 -3.693 1.280 -8.190 1.00 0.00 O ATOM 544 CB ASP A 31 -4.057 -1.576 -7.239 1.00 0.00 C ATOM 545 CG ASP A 31 -5.574 -1.709 -7.213 1.00 0.00 C ATOM 546 OD1 ASP A 31 -6.068 -2.739 -7.606 1.00 0.00 O ATOM 547 OD2 ASP A 31 -6.224 -0.778 -6.800 1.00 0.00 O ATOM 548 H ASP A 31 -1.575 -1.512 -7.820 1.00 0.00 H ATOM 549 HA ASP A 31 -3.889 -1.748 -9.369 1.00 0.00 H ATOM 550 1HB ASP A 31 -3.618 -2.548 -7.011 1.00 0.00 H ATOM 551 2HB ASP A 31 -3.753 -0.886 -6.452 1.00 0.00 H ATOM 552 N GLU A 32 -4.930 0.426 -9.865 1.00 0.00 N ATOM 553 CA GLU A 32 -5.479 1.716 -10.267 1.00 0.00 C ATOM 554 C GLU A 32 -6.247 2.368 -9.125 1.00 0.00 C ATOM 555 O GLU A 32 -6.119 3.569 -8.884 1.00 0.00 O ATOM 556 CB GLU A 32 -6.394 1.550 -11.483 1.00 0.00 C ATOM 557 CG GLU A 32 -7.093 2.829 -11.922 1.00 0.00 C ATOM 558 CD GLU A 32 -7.749 2.703 -13.269 1.00 0.00 C ATOM 559 OE1 GLU A 32 -7.634 1.662 -13.870 1.00 0.00 O ATOM 560 OE2 GLU A 32 -8.365 3.650 -13.698 1.00 0.00 O ATOM 561 H GLU A 32 -5.218 -0.407 -10.358 1.00 0.00 H ATOM 562 HA GLU A 32 -4.653 2.370 -10.551 1.00 0.00 H ATOM 563 1HB GLU A 32 -5.813 1.179 -12.327 1.00 0.00 H ATOM 564 2HB GLU A 32 -7.161 0.808 -11.261 1.00 0.00 H ATOM 565 1HG GLU A 32 -7.852 3.087 -11.184 1.00 0.00 H ATOM 566 2HG GLU A 32 -6.364 3.637 -11.951 1.00 0.00 H ATOM 567 N ARG A 33 -7.047 1.571 -8.425 1.00 0.00 N ATOM 568 CA ARG A 33 -7.948 2.093 -7.406 1.00 0.00 C ATOM 569 C ARG A 33 -7.172 2.679 -6.232 1.00 0.00 C ATOM 570 O ARG A 33 -7.532 3.729 -5.699 1.00 0.00 O ATOM 571 CB ARG A 33 -8.876 0.998 -6.901 1.00 0.00 C ATOM 572 CG ARG A 33 -9.923 0.534 -7.902 1.00 0.00 C ATOM 573 CD ARG A 33 -10.743 -0.580 -7.362 1.00 0.00 C ATOM 574 NE ARG A 33 -11.751 -1.022 -8.313 1.00 0.00 N ATOM 575 CZ ARG A 33 -12.550 -2.093 -8.140 1.00 0.00 C ATOM 576 NH1 ARG A 33 -12.447 -2.819 -7.049 1.00 0.00 N ATOM 577 NH2 ARG A 33 -13.436 -2.413 -9.066 1.00 0.00 N ATOM 578 H ARG A 33 -7.030 0.577 -8.605 1.00 0.00 H ATOM 579 HA ARG A 33 -8.555 2.882 -7.851 1.00 0.00 H ATOM 580 1HB ARG A 33 -8.288 0.128 -6.612 1.00 0.00 H ATOM 581 2HB ARG A 33 -9.402 1.347 -6.012 1.00 0.00 H ATOM 582 1HG ARG A 33 -10.587 1.364 -8.144 1.00 0.00 H ATOM 583 2HG ARG A 33 -9.429 0.187 -8.810 1.00 0.00 H ATOM 584 1HD ARG A 33 -10.099 -1.427 -7.130 1.00 0.00 H ATOM 585 2HD ARG A 33 -11.251 -0.252 -6.456 1.00 0.00 H ATOM 586 HE ARG A 33 -11.859 -0.487 -9.165 1.00 0.00 H ATOM 587 1HH1 ARG A 33 -11.769 -2.575 -6.341 1.00 0.00 H ATOM 588 2HH1 ARG A 33 -13.045 -3.622 -6.919 1.00 0.00 H ATOM 589 1HH2 ARG A 33 -13.516 -1.854 -9.905 1.00 0.00 H ATOM 590 2HH2 ARG A 33 -14.035 -3.215 -8.936 1.00 0.00 H ATOM 591 N GLU A 34 -6.105 1.992 -5.834 1.00 0.00 N ATOM 592 CA GLU A 34 -5.240 2.476 -4.764 1.00 0.00 C ATOM 593 C GLU A 34 -4.656 3.841 -5.102 1.00 0.00 C ATOM 594 O GLU A 34 -4.628 4.741 -4.262 1.00 0.00 O ATOM 595 CB GLU A 34 -4.110 1.478 -4.501 1.00 0.00 C ATOM 596 CG GLU A 34 -3.174 1.873 -3.368 1.00 0.00 C ATOM 597 CD GLU A 34 -2.168 0.805 -3.041 1.00 0.00 C ATOM 598 OE1 GLU A 34 -2.197 -0.225 -3.671 1.00 0.00 O ATOM 599 OE2 GLU A 34 -1.369 1.019 -2.159 1.00 0.00 O ATOM 600 H GLU A 34 -5.889 1.114 -6.284 1.00 0.00 H ATOM 601 HA GLU A 34 -5.832 2.563 -3.853 1.00 0.00 H ATOM 602 1HB GLU A 34 -4.534 0.503 -4.260 1.00 0.00 H ATOM 603 2HB GLU A 34 -3.511 1.360 -5.404 1.00 0.00 H ATOM 604 1HG GLU A 34 -2.642 2.782 -3.650 1.00 0.00 H ATOM 605 2HG GLU A 34 -3.766 2.092 -2.481 1.00 0.00 H ATOM 606 N VAL A 35 -4.192 3.992 -6.338 1.00 0.00 N ATOM 607 CA VAL A 35 -3.615 5.251 -6.792 1.00 0.00 C ATOM 608 C VAL A 35 -4.641 6.376 -6.743 1.00 0.00 C ATOM 609 O VAL A 35 -4.364 7.461 -6.232 1.00 0.00 O ATOM 610 CB VAL A 35 -3.083 5.108 -8.230 1.00 0.00 C ATOM 611 CG1 VAL A 35 -2.685 6.466 -8.788 1.00 0.00 C ATOM 612 CG2 VAL A 35 -1.902 4.149 -8.251 1.00 0.00 C ATOM 613 H VAL A 35 -4.239 3.213 -6.979 1.00 0.00 H ATOM 614 HA VAL A 35 -2.784 5.508 -6.135 1.00 0.00 H ATOM 615 HB VAL A 35 -3.879 4.719 -8.865 1.00 0.00 H ATOM 616 1HG1 VAL A 35 -2.311 6.345 -9.806 1.00 0.00 H ATOM 617 2HG1 VAL A 35 -3.554 7.124 -8.797 1.00 0.00 H ATOM 618 3HG1 VAL A 35 -1.904 6.901 -8.165 1.00 0.00 H ATOM 619 1HG2 VAL A 35 -1.531 4.052 -9.271 1.00 0.00 H ATOM 620 2HG2 VAL A 35 -1.108 4.535 -7.611 1.00 0.00 H ATOM 621 3HG2 VAL A 35 -2.220 3.172 -7.886 1.00 0.00 H ATOM 622 N ARG A 36 -5.829 6.111 -7.278 1.00 0.00 N ATOM 623 CA ARG A 36 -6.894 7.106 -7.314 1.00 0.00 C ATOM 624 C ARG A 36 -7.340 7.486 -5.908 1.00 0.00 C ATOM 625 O ARG A 36 -7.664 8.643 -5.641 1.00 0.00 O ATOM 626 CB ARG A 36 -8.087 6.586 -8.099 1.00 0.00 C ATOM 627 CG ARG A 36 -7.876 6.497 -9.602 1.00 0.00 C ATOM 628 CD ARG A 36 -9.116 6.085 -10.308 1.00 0.00 C ATOM 629 NE ARG A 36 -8.905 5.950 -11.741 1.00 0.00 N ATOM 630 CZ ARG A 36 -8.864 6.980 -12.608 1.00 0.00 C ATOM 631 NH1 ARG A 36 -9.019 8.212 -12.174 1.00 0.00 N ATOM 632 NH2 ARG A 36 -8.666 6.753 -13.895 1.00 0.00 N ATOM 633 H ARG A 36 -5.998 5.195 -7.669 1.00 0.00 H ATOM 634 HA ARG A 36 -6.515 7.999 -7.813 1.00 0.00 H ATOM 635 1HB ARG A 36 -8.350 5.589 -7.744 1.00 0.00 H ATOM 636 2HB ARG A 36 -8.948 7.231 -7.925 1.00 0.00 H ATOM 637 1HG ARG A 36 -7.571 7.471 -9.984 1.00 0.00 H ATOM 638 2HG ARG A 36 -7.098 5.763 -9.818 1.00 0.00 H ATOM 639 1HD ARG A 36 -9.453 5.124 -9.922 1.00 0.00 H ATOM 640 2HD ARG A 36 -9.892 6.832 -10.147 1.00 0.00 H ATOM 641 HE ARG A 36 -8.781 5.018 -12.112 1.00 0.00 H ATOM 642 1HH1 ARG A 36 -9.171 8.386 -11.191 1.00 0.00 H ATOM 643 2HH1 ARG A 36 -8.989 8.984 -12.824 1.00 0.00 H ATOM 644 1HH2 ARG A 36 -8.546 5.807 -14.229 1.00 0.00 H ATOM 645 2HH2 ARG A 36 -8.635 7.525 -14.545 1.00 0.00 H ATOM 646 N LYS A 37 -7.356 6.505 -5.012 1.00 0.00 N ATOM 647 CA LYS A 37 -7.680 6.751 -3.612 1.00 0.00 C ATOM 648 C LYS A 37 -6.741 7.783 -3.002 1.00 0.00 C ATOM 649 O LYS A 37 -7.184 8.752 -2.386 1.00 0.00 O ATOM 650 CB LYS A 37 -7.621 5.449 -2.812 1.00 0.00 C ATOM 651 CG LYS A 37 -8.007 5.593 -1.346 1.00 0.00 C ATOM 652 CD LYS A 37 -7.964 4.252 -0.629 1.00 0.00 C ATOM 653 CE LYS A 37 -8.523 4.359 0.782 1.00 0.00 C ATOM 654 NZ LYS A 37 -7.668 5.205 1.657 1.00 0.00 N ATOM 655 H LYS A 37 -7.137 5.564 -5.309 1.00 0.00 H ATOM 656 HA LYS A 37 -8.701 7.129 -3.554 1.00 0.00 H ATOM 657 1HB LYS A 37 -8.288 4.713 -3.263 1.00 0.00 H ATOM 658 2HB LYS A 37 -6.610 5.042 -2.854 1.00 0.00 H ATOM 659 1HG LYS A 37 -7.319 6.281 -0.854 1.00 0.00 H ATOM 660 2HG LYS A 37 -9.014 6.002 -1.274 1.00 0.00 H ATOM 661 1HD LYS A 37 -8.548 3.520 -1.188 1.00 0.00 H ATOM 662 2HD LYS A 37 -6.933 3.902 -0.574 1.00 0.00 H ATOM 663 1HE LYS A 37 -9.523 4.791 0.744 1.00 0.00 H ATOM 664 2HE LYS A 37 -8.598 3.364 1.221 1.00 0.00 H ATOM 665 1HZ LYS A 37 -8.073 5.251 2.582 1.00 0.00 H ATOM 666 2HZ LYS A 37 -6.743 4.804 1.715 1.00 0.00 H ATOM 667 3HZ LYS A 37 -7.607 6.137 1.271 1.00 0.00 H ATOM 668 N VAL A 38 -5.441 7.570 -3.178 1.00 0.00 N ATOM 669 CA VAL A 38 -4.436 8.481 -2.643 1.00 0.00 C ATOM 670 C VAL A 38 -4.589 9.877 -3.231 1.00 0.00 C ATOM 671 O VAL A 38 -4.502 10.876 -2.515 1.00 0.00 O ATOM 672 CB VAL A 38 -3.021 7.953 -2.945 1.00 0.00 C ATOM 673 CG1 VAL A 38 -1.974 8.994 -2.575 1.00 0.00 C ATOM 674 CG2 VAL A 38 -2.780 6.655 -2.189 1.00 0.00 C ATOM 675 H VAL A 38 -5.142 6.757 -3.697 1.00 0.00 H ATOM 676 HA VAL A 38 -4.564 8.540 -1.561 1.00 0.00 H ATOM 677 HB VAL A 38 -2.931 7.773 -4.016 1.00 0.00 H ATOM 678 1HG1 VAL A 38 -0.980 8.604 -2.796 1.00 0.00 H ATOM 679 2HG1 VAL A 38 -2.144 9.901 -3.154 1.00 0.00 H ATOM 680 3HG1 VAL A 38 -2.046 9.221 -1.512 1.00 0.00 H ATOM 681 1HG2 VAL A 38 -1.778 6.287 -2.408 1.00 0.00 H ATOM 682 2HG2 VAL A 38 -2.876 6.834 -1.118 1.00 0.00 H ATOM 683 3HG2 VAL A 38 -3.515 5.912 -2.500 1.00 0.00 H ATOM 684 N LEU A 39 -4.817 9.942 -4.538 1.00 0.00 N ATOM 685 CA LEU A 39 -4.988 11.218 -5.224 1.00 0.00 C ATOM 686 C LEU A 39 -6.155 12.005 -4.641 1.00 0.00 C ATOM 687 O LEU A 39 -6.066 13.218 -4.454 1.00 0.00 O ATOM 688 CB LEU A 39 -5.218 10.987 -6.723 1.00 0.00 C ATOM 689 CG LEU A 39 -3.980 10.576 -7.530 1.00 0.00 C ATOM 690 CD1 LEU A 39 -4.405 10.134 -8.924 1.00 0.00 C ATOM 691 CD2 LEU A 39 -3.008 11.745 -7.600 1.00 0.00 C ATOM 692 H LEU A 39 -4.873 9.086 -5.071 1.00 0.00 H ATOM 693 HA LEU A 39 -4.076 11.802 -5.101 1.00 0.00 H ATOM 694 1HB LEU A 39 -5.966 10.204 -6.843 1.00 0.00 H ATOM 695 2HB LEU A 39 -5.609 11.905 -7.161 1.00 0.00 H ATOM 696 HG LEU A 39 -3.494 9.729 -7.046 1.00 0.00 H ATOM 697 1HD1 LEU A 39 -3.525 9.842 -9.497 1.00 0.00 H ATOM 698 2HD1 LEU A 39 -5.084 9.284 -8.845 1.00 0.00 H ATOM 699 3HD1 LEU A 39 -4.910 10.957 -9.428 1.00 0.00 H ATOM 700 1HD2 LEU A 39 -2.128 11.453 -8.173 1.00 0.00 H ATOM 701 2HD2 LEU A 39 -3.493 12.592 -8.086 1.00 0.00 H ATOM 702 3HD2 LEU A 39 -2.707 12.029 -6.592 1.00 0.00 H ATOM 703 N ARG A 40 -7.249 11.306 -4.356 1.00 0.00 N ATOM 704 CA ARG A 40 -8.423 11.932 -3.761 1.00 0.00 C ATOM 705 C ARG A 40 -8.119 12.457 -2.363 1.00 0.00 C ATOM 706 O ARG A 40 -8.608 13.515 -1.967 1.00 0.00 O ATOM 707 CB ARG A 40 -9.578 10.944 -3.687 1.00 0.00 C ATOM 708 CG ARG A 40 -10.221 10.611 -5.024 1.00 0.00 C ATOM 709 CD ARG A 40 -11.228 9.527 -4.895 1.00 0.00 C ATOM 710 NE ARG A 40 -11.864 9.223 -6.167 1.00 0.00 N ATOM 711 CZ ARG A 40 -12.672 8.167 -6.385 1.00 0.00 C ATOM 712 NH1 ARG A 40 -12.932 7.326 -5.409 1.00 0.00 N ATOM 713 NH2 ARG A 40 -13.202 7.977 -7.580 1.00 0.00 N ATOM 714 H ARG A 40 -7.268 10.317 -4.559 1.00 0.00 H ATOM 715 HA ARG A 40 -8.726 12.769 -4.390 1.00 0.00 H ATOM 716 1HB ARG A 40 -9.230 10.010 -3.248 1.00 0.00 H ATOM 717 2HB ARG A 40 -10.356 11.342 -3.037 1.00 0.00 H ATOM 718 1HG ARG A 40 -10.719 11.497 -5.419 1.00 0.00 H ATOM 719 2HG ARG A 40 -9.453 10.284 -5.726 1.00 0.00 H ATOM 720 1HD ARG A 40 -10.743 8.622 -4.531 1.00 0.00 H ATOM 721 2HD ARG A 40 -12.002 9.832 -4.191 1.00 0.00 H ATOM 722 HE ARG A 40 -11.687 9.848 -6.942 1.00 0.00 H ATOM 723 1HH1 ARG A 40 -12.526 7.471 -4.495 1.00 0.00 H ATOM 724 2HH1 ARG A 40 -13.537 6.535 -5.572 1.00 0.00 H ATOM 725 1HH2 ARG A 40 -13.002 8.624 -8.331 1.00 0.00 H ATOM 726 2HH2 ARG A 40 -13.808 7.186 -7.744 1.00 0.00 H ATOM 727 N GLU A 41 -7.307 11.712 -1.621 1.00 0.00 N ATOM 728 CA GLU A 41 -6.907 12.120 -0.280 1.00 0.00 C ATOM 729 C GLU A 41 -5.986 13.332 -0.323 1.00 0.00 C ATOM 730 O GLU A 41 -6.087 14.230 0.513 1.00 0.00 O ATOM 731 CB GLU A 41 -6.210 10.964 0.443 1.00 0.00 C ATOM 732 CG GLU A 41 -7.126 9.803 0.804 1.00 0.00 C ATOM 733 CD GLU A 41 -6.384 8.629 1.379 1.00 0.00 C ATOM 734 OE1 GLU A 41 -5.184 8.705 1.491 1.00 0.00 O ATOM 735 OE2 GLU A 41 -7.019 7.655 1.708 1.00 0.00 O ATOM 736 H GLU A 41 -6.957 10.842 -1.995 1.00 0.00 H ATOM 737 HA GLU A 41 -7.803 12.380 0.285 1.00 0.00 H ATOM 738 1HB GLU A 41 -5.407 10.574 -0.184 1.00 0.00 H ATOM 739 2HB GLU A 41 -5.757 11.331 1.364 1.00 0.00 H ATOM 740 1HG GLU A 41 -7.861 10.147 1.531 1.00 0.00 H ATOM 741 2HG GLU A 41 -7.662 9.486 -0.090 1.00 0.00 H ATOM 742 N LEU A 42 -5.090 13.353 -1.303 1.00 0.00 N ATOM 743 CA LEU A 42 -4.149 14.457 -1.458 1.00 0.00 C ATOM 744 C LEU A 42 -4.859 15.726 -1.912 1.00 0.00 C ATOM 745 O LEU A 42 -4.534 16.825 -1.462 1.00 0.00 O ATOM 746 CB LEU A 42 -3.057 14.085 -2.469 1.00 0.00 C ATOM 747 CG LEU A 42 -2.072 13.000 -2.016 1.00 0.00 C ATOM 748 CD1 LEU A 42 -1.194 12.587 -3.189 1.00 0.00 C ATOM 749 CD2 LEU A 42 -1.232 13.527 -0.862 1.00 0.00 C ATOM 750 H LEU A 42 -5.058 12.584 -1.958 1.00 0.00 H ATOM 751 HA LEU A 42 -3.676 14.646 -0.493 1.00 0.00 H ATOM 752 1HB LEU A 42 -3.535 13.738 -3.383 1.00 0.00 H ATOM 753 2HB LEU A 42 -2.480 14.979 -2.701 1.00 0.00 H ATOM 754 HG LEU A 42 -2.626 12.119 -1.688 1.00 0.00 H ATOM 755 1HD1 LEU A 42 -0.494 11.816 -2.867 1.00 0.00 H ATOM 756 2HD1 LEU A 42 -1.819 12.196 -3.992 1.00 0.00 H ATOM 757 3HD1 LEU A 42 -0.639 13.453 -3.549 1.00 0.00 H ATOM 758 1HD2 LEU A 42 -0.532 12.755 -0.539 1.00 0.00 H ATOM 759 2HD2 LEU A 42 -0.677 14.406 -1.188 1.00 0.00 H ATOM 760 3HD2 LEU A 42 -1.884 13.796 -0.030 1.00 0.00 H ATOM 761 N GLY A 43 -5.830 15.568 -2.804 1.00 0.00 N ATOM 762 CA GLY A 43 -6.584 16.702 -3.325 1.00 0.00 C ATOM 763 C GLY A 43 -6.281 16.934 -4.800 1.00 0.00 C ATOM 764 O GLY A 43 -5.181 16.645 -5.271 1.00 0.00 O ATOM 765 OXT GLY A 43 -7.120 17.405 -5.518 1.00 0.00 O ATOM 766 H GLY A 43 -6.051 14.637 -3.131 1.00 0.00 H ATOM 767 1HA GLY A 43 -7.651 16.520 -3.194 1.00 0.00 H ATOM 768 2HA GLY A 43 -6.337 17.595 -2.754 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE nods_bigger.blueprint.34_try32_pass_20160821083940_0001_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_intra_sol_xover4 lk_ball_wtd fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun p_aa_pp yhh_planarity ref rama_prepro total weights 1 0.55 1 0.005 1 1 1 1.25 1 1 1 1 1.25 0.4 0.7 0.6 0.625 1 0.45 NA pose -251.412 24.9953 178.532 0.52684 9.92956 -1.97281 -106.076 0 -29.4684 -2.31922 -9.08976 -13.7183 0 1.67781 64.5188 -9.62049 4e-05 -3.50109 -10.6977 -157.695 ASP:NtermProteinFull_1 -4.24762 0.45784 6.93645 0.00781 0.57792 0.83304 -7.22934 0 0 0 -1.30482 -0.85131 0 0.00921 2.31074 0 0 -2.14574 0 -4.64583 ASP_2 -3.12183 0.26266 3.56027 0.00427 0.31265 -0.04439 -1.74695 0 0 0 0 0 0 -0.09998 1.36892 -0.01631 0 -2.14574 -0.13225 -1.79869 ARG_3 -4.63388 0.49437 5.40437 0.01254 0.37868 0.34084 -4.29164 0 0 0 -0.60357 -0.85131 0 -0.01819 2.31075 -0.18086 0 -0.09474 -0.39424 -2.12688 VAL_4 -7.55517 1.09111 2.81755 0.01882 0.0517 -0.27626 -1.75627 0 0 0 0 0 0 0.00721 -0.00311 -0.40489 0 2.64269 -0.28634 -3.65296 ARG_5 -6.2804 0.29794 5.04861 0.01896 0.55154 0.07198 -2.71726 0 0 0 0 -1.04979 0 -0.02749 2.00459 -0.1636 0 -0.09474 -0.15092 -2.49058 ARG_6 -4.89425 0.30622 4.69285 0.01082 0.19707 -0.28556 -1.78246 0 0 0 0 0 0 0.03487 1.59613 -0.05391 0 -0.09474 -0.32267 -0.59563 LEU_7 -6.31038 0.38941 3.52723 0.01715 0.07615 -0.1996 -1.43779 0 0 0 0 0 0 -0.0203 0.32739 -0.27034 0 1.66147 -0.34918 -2.5888 VAL_8 -9.16406 1.74481 1.2412 0.01917 0.05096 -0.00459 -1.84599 0 0 0 0 0 0 -0.05622 0.00832 -0.36897 0 2.64269 -0.14869 -5.88136 GLU_9 -6.17178 0.26225 5.43947 0.00833 0.34623 0.18009 -3.27458 0 0 0 0 -1.00338 0 -0.01338 2.68751 -0.06791 0 -2.72453 -0.15272 -4.48439 GLU_10 -5.52036 0.38596 5.78666 0.00812 0.32385 0.19773 -3.07125 0 0 0 0 -0.75689 0 -0.0067 2.43665 0.03067 0 -2.72453 -0.14007 -3.05018 LEU_11 -9.51092 1.015 3.80913 0.01657 0.0747 -0.29353 -2.48641 0 0 0 0 0 0 -0.02953 0.27374 -0.27041 0 1.66147 -0.13513 -5.87533 LEU_12 -6.32126 0.38564 3.09821 0.0209 0.17391 -0.1161 -0.99404 0 0 0 0 0 0 0.06595 1.21457 -0.27967 0 1.66147 -0.31727 -1.40769 ARG_13 -4.17104 0.28245 4.43171 0.01402 0.33286 0.17256 -2.22639 0 0 0 0 -1.00338 0 0.06628 1.96414 -0.11337 0 -0.09474 -0.37031 -0.71521 ARG_14 -4.55771 0.37527 3.80198 0.01401 0.32595 0.25739 -1.78587 0 0 0 0 -0.75689 0 0.2841 1.98128 -0.15715 0 -0.09474 -0.47173 -0.78411 GLY_15 -1.94155 0.14642 1.89996 0.00012 0 -0.17828 -0.38156 0 0 0 0 0 0 0.40444 0 -1.51225 0 0.79816 0.44341 -0.32113 TYR_16 -7.0923 0.46197 2.77196 0.02101 0.21642 -0.4001 -0.44825 0 0 0 0 0 0 -0.02466 1.62903 -0.22786 4e-05 0.58223 0.59262 -1.9179 ASP_17 -4.52823 0.33783 4.8695 0.00496 0.32244 -0.12244 -3.40454 0 0 0 -1.64352 0 0 0.09298 2.66194 0.05992 0 -2.14574 -0.22627 -3.72117 LYS_18 -5.67524 0.69385 5.23585 0.00858 0.18169 0.32309 -5.30745 0 0 0 -1.24339 0 0 -0.01572 2.6859 0.04637 0 -0.71458 -0.24669 -4.02774 GLU_19 -4.0391 0.16588 4.70036 0.00816 0.83329 0.34989 -2.73948 0 0 0 0 -1.64543 0 0.05228 2.73702 -0.33611 0 -2.72453 -0.42649 -3.06426 GLN_20 -6.06084 0.29119 5.13682 0.00623 0.17799 -0.15219 -2.22054 0 0 0 -1.08379 0 0 0.09832 2.33463 -0.10859 0 -1.45095 -0.46517 -3.4969 ILE_21 -10.7343 1.22373 1.94737 0.02873 0.07385 -0.19548 -1.77926 0 0 0 0 0 0 0.09463 0.11208 -0.39184 0 2.30374 -0.2425 -7.55923 VAL_22 -7.67138 1.25694 3.48516 0.02074 0.0525 -0.40927 -2.00241 0 0 0 0 0 0 -0.00375 0.0899 -0.21402 0 2.64269 -0.04284 -2.79574 GLU_23 -5.1815 0.30142 5.58075 0.00852 0.33546 -0.30256 -2.47619 0 0 0 0 0 0 -0.00404 2.49406 0.0103 0 -2.72453 -0.0275 -1.98584 ARG_24 -7.1711 0.39443 5.04627 0.01683 0.41734 -0.49395 -1.41763 0 0 0 0 0 0 0.16704 2.7532 -0.00818 0 -0.09474 -0.03976 -0.43026 LEU_25 -10.4172 1.56386 2.53553 0.01788 0.07275 -0.23467 -2.12082 0 0 0 0 0 0 0.23584 2.70995 -0.28313 0 1.66147 -0.13306 -4.39158 LYS_26 -5.54943 0.54574 6.05079 0.0086 0.19982 -0.07547 -3.98446 0 0 0 0 -0.53284 0 0.05951 1.25902 0.00151 0 -0.71458 -0.34275 -3.07455 LYS_27 -3.9309 0.48961 4.3771 0.00717 0.12453 -0.35497 -1.78071 0 0 0 0 0 0 0.05275 0.95407 -0.03388 0 -0.71458 -0.52031 -1.3301 GLN_28 -4.86942 0.56121 3.61586 0.00719 0.25116 -0.43322 -0.64902 0 0 0 0 0 0 -0.00421 2.62672 -0.12447 0 -1.45095 -0.57415 -1.0433 GLY_29 -1.81689 0.28385 2.00393 7e-05 0 -0.1602 -0.85864 0 0 0 0 0 0 -0.15269 0 -1.47946 0 0.79816 -0.55621 -1.93809 ILE_30 -6.87604 1.18846 1.41591 0.02582 0.06889 -0.09132 -0.51391 0 0 0 0 0 0 -0.0231 0.36435 -0.50889 0 2.30374 -0.5347 -3.18078 ASP_31 -4.00464 0.52487 4.77458 0.00329 0.53702 0.02912 -3.2617 0 0 0 -0.91289 0 0 -0.05934 2.54172 -0.36291 0 -2.14574 -0.29206 -2.62868 GLU_32 -5.67189 0.36117 6.22262 0.00854 0.35776 0.26764 -4.36411 0 0 0 0 -1.55234 0 0.13557 3.20182 -0.14661 0 -2.72453 -0.28388 -4.18824 ARG_33 -3.72973 0.3539 4.19165 0.01066 0.19663 -0.09374 -2.03722 0 0 0 0 0 0 0.14189 1.46944 -0.06854 0 -0.09474 -0.43268 -0.0925 GLU_34 -5.77135 0.35799 6.09089 0.00771 0.34455 0.10007 -4.00849 0 0 0 -1.61414 0 0 0.00155 2.72179 -0.1136 0 -2.72453 -0.40502 -5.0126 VAL_35 -8.64716 1.35616 1.67765 0.01988 0.05252 -0.14743 -1.65332 0 0 0 0 0 0 -0.04636 -0.00205 -0.30286 0 2.64269 -0.22825 -5.27855 ARG_36 -7.9308 0.47318 7.10202 0.01427 0.34229 0.4959 -5.05476 0 0 0 0 -2.66493 0 0.21387 2.00522 -0.1432 0 -0.09474 -0.29351 -5.53519 LYS_37 -5.47329 0.48075 6.46163 0.01035 0.31822 -0.00217 -4.01162 0 0 0 0 0 0 0.00689 1.66495 0.07311 0 -0.71458 -0.2941 -1.47986 VAL_38 -8.3901 0.88113 3.58357 0.01998 0.05415 -0.45576 -1.77581 0 0 0 0 0 0 -0.03926 -0.01853 -0.22325 0 2.64269 -0.13024 -3.85143 LEU_39 -9.64698 1.26551 2.56851 0.01625 0.07581 -0.25451 -0.98513 0 0 0 0 0 0 0.04242 0.61665 -0.23504 0 1.66147 -0.21057 -5.0856 ARG_40 -4.02899 0.26249 3.84401 0.01093 0.19954 -0.23663 -1.14026 0 0 0 0 0 0 0.05958 1.50006 -0.12882 0 -0.09474 -0.36628 -0.11911 GLU_41 -4.57577 0.34779 6.3859 0.00623 0.27361 0.32408 -4.27415 0 0 0 0 -1.04979 0 0.00221 2.64806 -0.27411 0 -2.72453 -0.50579 -3.41626 LEU_42 -5.3902 0.53266 1.43868 0.01653 0.07517 -0.17226 -1.17725 0 0 0 0 0 0 -0.00663 0.27614 -0.26735 0 1.66147 -0.39744 -3.41049 GLY:CtermProteinFull_43 -2.13476 0.14037 3.92171 0.00012 0 0.27042 -3.60067 0 0 0 -0.68366 0 0 0 0 0 0 0.79816 -0.14395 -1.43225 #END_POSE_ENERGIES_TABLE nods_bigger.blueprint.34_try32_pass_20160821083940_0001_0001.pdb AlaCount 0 bb -0.0539228 buried_minus_exposed 3688.24 buried_np 5297.12 buried_over_exposed 3.2924 cavity_volume 0 contact_all 278 contact_core_SASA 278 contact_core_SCN 139 degree 9.83721 dslf_quality_check 0 entropy 0 exposed_hydrophobics 1608.88 exposed_polars 1814.45 exposed_total 3423.33 fxn_exposed_is_np 0.469976 helix_sc 0.798613 holes -0.64954 loop_sc 0.827052 mean_dslf 0 mismatch_probability 0.0730097 one_core_each 1 pack 0.554618 percent_core_SASA 0.186003 percent_core_SCN 0.232504 res_count_core_SASA 8 res_count_core_SCN 10 ss_contributes_core 1 ss_sc 0.80542 two_core_each 1 unsat_hbond 4 unsat_hbond2 3
HHH_rd4_0034.pdb
ATOM 1 N ASP A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA ASP A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C ASP A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O ASP A 1 1.285 2.377 -0.276 1.00 0.00 O ATOM 5 CB ASP A 1 1.994 -0.762 -1.214 1.00 0.00 C ATOM 6 CG ASP A 1 3.418 -1.265 -1.017 1.00 0.00 C ATOM 7 OD1 ASP A 1 4.009 -0.938 -0.015 1.00 0.00 O ATOM 8 OD2 ASP A 1 3.900 -1.972 -1.869 1.00 0.00 O ATOM 9 1H ASP A 1 -0.334 -0.943 0.000 1.00 0.00 H ATOM 10 2H ASP A 1 -0.334 0.471 0.816 1.00 0.00 H ATOM 11 3H ASP A 1 -0.334 0.471 -0.816 1.00 0.00 H ATOM 12 HA ASP A 1 1.804 -0.500 0.905 1.00 0.00 H ATOM 13 1HB ASP A 1 1.349 -1.615 -1.423 1.00 0.00 H ATOM 14 2HB ASP A 1 1.972 -0.113 -2.090 1.00 0.00 H ATOM 15 N GLU A 2 3.294 1.551 0.311 1.00 0.00 N ATOM 16 CA GLU A 2 3.917 2.860 0.460 1.00 0.00 C ATOM 17 C GLU A 2 3.892 3.635 -0.852 1.00 0.00 C ATOM 18 O GLU A 2 3.671 4.845 -0.866 1.00 0.00 O ATOM 19 CB GLU A 2 5.360 2.711 0.949 1.00 0.00 C ATOM 20 CG GLU A 2 5.490 2.222 2.384 1.00 0.00 C ATOM 21 CD GLU A 2 6.914 1.951 2.783 1.00 0.00 C ATOM 22 OE1 GLU A 2 7.763 1.957 1.924 1.00 0.00 O ATOM 23 OE2 GLU A 2 7.153 1.736 3.948 1.00 0.00 O ATOM 24 H GLU A 2 3.853 0.722 0.448 1.00 0.00 H ATOM 25 HA GLU A 2 3.361 3.426 1.210 1.00 0.00 H ATOM 26 1HB GLU A 2 5.891 2.009 0.307 1.00 0.00 H ATOM 27 2HB GLU A 2 5.870 3.672 0.875 1.00 0.00 H ATOM 28 1HG GLU A 2 5.075 2.975 3.053 1.00 0.00 H ATOM 29 2HG GLU A 2 4.905 1.311 2.501 1.00 0.00 H ATOM 30 N GLU A 3 4.119 2.928 -1.954 1.00 0.00 N ATOM 31 CA GLU A 3 4.104 3.544 -3.276 1.00 0.00 C ATOM 32 C GLU A 3 2.719 4.080 -3.617 1.00 0.00 C ATOM 33 O GLU A 3 2.586 5.137 -4.233 1.00 0.00 O ATOM 34 CB GLU A 3 4.548 2.537 -4.339 1.00 0.00 C ATOM 35 CG GLU A 3 6.028 2.184 -4.291 1.00 0.00 C ATOM 36 CD GLU A 3 6.906 3.269 -4.848 1.00 0.00 C ATOM 37 OE1 GLU A 3 6.726 3.628 -5.987 1.00 0.00 O ATOM 38 OE2 GLU A 3 7.760 3.740 -4.134 1.00 0.00 O ATOM 39 H GLU A 3 4.308 1.939 -1.875 1.00 0.00 H ATOM 40 HA GLU A 3 4.810 4.375 -3.279 1.00 0.00 H ATOM 41 1HB GLU A 3 3.980 1.614 -4.226 1.00 0.00 H ATOM 42 2HB GLU A 3 4.331 2.935 -5.331 1.00 0.00 H ATOM 43 1HG GLU A 3 6.312 1.997 -3.256 1.00 0.00 H ATOM 44 2HG GLU A 3 6.190 1.267 -4.855 1.00 0.00 H ATOM 45 N GLU A 4 1.690 3.342 -3.215 1.00 0.00 N ATOM 46 CA GLU A 4 0.314 3.714 -3.523 1.00 0.00 C ATOM 47 C GLU A 4 -0.078 5.008 -2.821 1.00 0.00 C ATOM 48 O GLU A 4 -0.749 5.861 -3.400 1.00 0.00 O ATOM 49 CB GLU A 4 -0.645 2.592 -3.119 1.00 0.00 C ATOM 50 CG GLU A 4 -0.530 1.332 -3.965 1.00 0.00 C ATOM 51 CD GLU A 4 -1.347 0.190 -3.427 1.00 0.00 C ATOM 52 OE1 GLU A 4 -1.419 0.048 -2.229 1.00 0.00 O ATOM 53 OE2 GLU A 4 -1.901 -0.541 -4.214 1.00 0.00 O ATOM 54 H GLU A 4 1.864 2.503 -2.681 1.00 0.00 H ATOM 55 HA GLU A 4 0.229 3.862 -4.601 1.00 0.00 H ATOM 56 1HB GLU A 4 -0.465 2.316 -2.080 1.00 0.00 H ATOM 57 2HB GLU A 4 -1.673 2.949 -3.190 1.00 0.00 H ATOM 58 1HG GLU A 4 -0.861 1.554 -4.978 1.00 0.00 H ATOM 59 2HG GLU A 4 0.517 1.033 -4.011 1.00 0.00 H ATOM 60 N GLU A 5 0.346 5.147 -1.569 1.00 0.00 N ATOM 61 CA GLU A 5 0.130 6.379 -0.820 1.00 0.00 C ATOM 62 C GLU A 5 0.889 7.544 -1.444 1.00 0.00 C ATOM 63 O GLU A 5 0.387 8.666 -1.497 1.00 0.00 O ATOM 64 CB GLU A 5 0.560 6.198 0.638 1.00 0.00 C ATOM 65 CG GLU A 5 -0.344 5.283 1.451 1.00 0.00 C ATOM 66 CD GLU A 5 0.087 5.159 2.886 1.00 0.00 C ATOM 67 OE1 GLU A 5 1.128 5.671 3.220 1.00 0.00 O ATOM 68 OE2 GLU A 5 -0.626 4.552 3.649 1.00 0.00 O ATOM 69 H GLU A 5 0.830 4.380 -1.125 1.00 0.00 H ATOM 70 HA GLU A 5 -0.936 6.609 -0.832 1.00 0.00 H ATOM 71 1HB GLU A 5 1.569 5.788 0.671 1.00 0.00 H ATOM 72 2HB GLU A 5 0.585 7.169 1.132 1.00 0.00 H ATOM 73 1HG GLU A 5 -1.361 5.674 1.422 1.00 0.00 H ATOM 74 2HG GLU A 5 -0.351 4.295 0.992 1.00 0.00 H ATOM 75 N ALA A 6 2.100 7.268 -1.914 1.00 0.00 N ATOM 76 CA ALA A 6 2.919 8.286 -2.564 1.00 0.00 C ATOM 77 C ALA A 6 2.239 8.820 -3.818 1.00 0.00 C ATOM 78 O ALA A 6 2.292 10.016 -4.104 1.00 0.00 O ATOM 79 CB ALA A 6 4.292 7.724 -2.904 1.00 0.00 C ATOM 80 H ALA A 6 2.464 6.331 -1.819 1.00 0.00 H ATOM 81 HA ALA A 6 3.063 9.111 -1.867 1.00 0.00 H ATOM 82 1HB ALA A 6 4.890 8.495 -3.389 1.00 0.00 H ATOM 83 2HB ALA A 6 4.788 7.399 -1.990 1.00 0.00 H ATOM 84 3HB ALA A 6 4.181 6.875 -3.576 1.00 0.00 H ATOM 85 N ILE A 7 1.602 7.926 -4.567 1.00 0.00 N ATOM 86 CA ILE A 7 0.850 8.315 -5.753 1.00 0.00 C ATOM 87 C ILE A 7 -0.253 9.307 -5.404 1.00 0.00 C ATOM 88 O ILE A 7 -0.461 10.291 -6.112 1.00 0.00 O ATOM 89 CB ILE A 7 0.234 7.084 -6.442 1.00 0.00 C ATOM 90 CG1 ILE A 7 1.333 6.200 -7.038 1.00 0.00 C ATOM 91 CG2 ILE A 7 -0.749 7.514 -7.520 1.00 0.00 C ATOM 92 CD1 ILE A 7 2.111 6.861 -8.154 1.00 0.00 C ATOM 93 H ILE A 7 1.641 6.949 -4.307 1.00 0.00 H ATOM 94 HA ILE A 7 1.535 8.788 -6.458 1.00 0.00 H ATOM 95 HB ILE A 7 -0.292 6.478 -5.705 1.00 0.00 H ATOM 96 1HG1 ILE A 7 2.035 5.915 -6.254 1.00 0.00 H ATOM 97 2HG1 ILE A 7 0.892 5.283 -7.428 1.00 0.00 H ATOM 98 1HG2 ILE A 7 -1.174 6.632 -7.998 1.00 0.00 H ATOM 99 2HG2 ILE A 7 -1.547 8.103 -7.069 1.00 0.00 H ATOM 100 3HG2 ILE A 7 -0.231 8.116 -8.267 1.00 0.00 H ATOM 101 1HD1 ILE A 7 2.871 6.173 -8.524 1.00 0.00 H ATOM 102 2HD1 ILE A 7 1.431 7.122 -8.965 1.00 0.00 H ATOM 103 3HD1 ILE A 7 2.592 7.762 -7.777 1.00 0.00 H ATOM 104 N LYS A 8 -0.956 9.041 -4.309 1.00 0.00 N ATOM 105 CA LYS A 8 -2.042 9.907 -3.867 1.00 0.00 C ATOM 106 C LYS A 8 -1.519 11.270 -3.433 1.00 0.00 C ATOM 107 O LYS A 8 -2.142 12.298 -3.698 1.00 0.00 O ATOM 108 CB LYS A 8 -2.817 9.252 -2.723 1.00 0.00 C ATOM 109 CG LYS A 8 -3.654 8.048 -3.137 1.00 0.00 C ATOM 110 CD LYS A 8 -4.396 7.456 -1.949 1.00 0.00 C ATOM 111 CE LYS A 8 -5.189 6.221 -2.350 1.00 0.00 C ATOM 112 NZ LYS A 8 -6.349 6.562 -3.218 1.00 0.00 N ATOM 113 H LYS A 8 -0.732 8.218 -3.768 1.00 0.00 H ATOM 114 HA LYS A 8 -2.734 10.047 -4.699 1.00 0.00 H ATOM 115 1HB LYS A 8 -2.120 8.924 -1.951 1.00 0.00 H ATOM 116 2HB LYS A 8 -3.486 9.984 -2.270 1.00 0.00 H ATOM 117 1HG LYS A 8 -4.379 8.352 -3.893 1.00 0.00 H ATOM 118 2HG LYS A 8 -3.006 7.286 -3.567 1.00 0.00 H ATOM 119 1HD LYS A 8 -3.681 7.181 -1.172 1.00 0.00 H ATOM 120 2HD LYS A 8 -5.081 8.199 -1.540 1.00 0.00 H ATOM 121 1HE LYS A 8 -4.540 5.531 -2.887 1.00 0.00 H ATOM 122 2HE LYS A 8 -5.557 5.718 -1.456 1.00 0.00 H ATOM 123 1HZ LYS A 8 -6.848 5.718 -3.461 1.00 0.00 H ATOM 124 2HZ LYS A 8 -6.969 7.188 -2.722 1.00 0.00 H ATOM 125 3HZ LYS A 8 -6.020 7.012 -4.060 1.00 0.00 H ATOM 126 N GLN A 9 -0.372 11.271 -2.762 1.00 0.00 N ATOM 127 CA GLN A 9 0.250 12.510 -2.311 1.00 0.00 C ATOM 128 C GLN A 9 0.530 13.444 -3.481 1.00 0.00 C ATOM 129 O GLN A 9 0.226 14.636 -3.423 1.00 0.00 O ATOM 130 CB GLN A 9 1.548 12.214 -1.556 1.00 0.00 C ATOM 131 CG GLN A 9 1.343 11.616 -0.174 1.00 0.00 C ATOM 132 CD GLN A 9 2.654 11.315 0.527 1.00 0.00 C ATOM 133 OE1 GLN A 9 3.474 12.209 0.750 1.00 0.00 O ATOM 134 NE2 GLN A 9 2.859 10.051 0.878 1.00 0.00 N ATOM 135 H GLN A 9 0.081 10.391 -2.561 1.00 0.00 H ATOM 136 HA GLN A 9 -0.433 13.008 -1.621 1.00 0.00 H ATOM 137 1HB GLN A 9 2.156 11.519 -2.136 1.00 0.00 H ATOM 138 2HB GLN A 9 2.121 13.134 -1.443 1.00 0.00 H ATOM 139 1HG GLN A 9 0.783 12.324 0.437 1.00 0.00 H ATOM 140 2HG GLN A 9 0.785 10.685 -0.272 1.00 0.00 H ATOM 141 1HE2 GLN A 9 3.706 9.791 1.344 1.00 0.00 H ATOM 142 2HE2 GLN A 9 2.167 9.357 0.677 1.00 0.00 H ATOM 143 N VAL A 10 1.111 12.896 -4.542 1.00 0.00 N ATOM 144 CA VAL A 10 1.425 13.679 -5.733 1.00 0.00 C ATOM 145 C VAL A 10 0.157 14.189 -6.406 1.00 0.00 C ATOM 146 O VAL A 10 0.091 15.339 -6.837 1.00 0.00 O ATOM 147 CB VAL A 10 2.228 12.829 -6.735 1.00 0.00 C ATOM 148 CG1 VAL A 10 2.406 13.579 -8.047 1.00 0.00 C ATOM 149 CG2 VAL A 10 3.577 12.460 -6.137 1.00 0.00 C ATOM 150 H VAL A 10 1.342 11.914 -4.525 1.00 0.00 H ATOM 151 HA VAL A 10 2.031 14.535 -5.435 1.00 0.00 H ATOM 152 HB VAL A 10 1.668 11.921 -6.958 1.00 0.00 H ATOM 153 1HG1 VAL A 10 2.976 12.964 -8.744 1.00 0.00 H ATOM 154 2HG1 VAL A 10 1.429 13.801 -8.475 1.00 0.00 H ATOM 155 3HG1 VAL A 10 2.943 14.510 -7.863 1.00 0.00 H ATOM 156 1HG2 VAL A 10 4.139 11.859 -6.851 1.00 0.00 H ATOM 157 2HG2 VAL A 10 4.134 13.369 -5.909 1.00 0.00 H ATOM 158 3HG2 VAL A 10 3.425 11.888 -5.222 1.00 0.00 H ATOM 159 N ALA A 11 -0.848 13.325 -6.495 1.00 0.00 N ATOM 160 CA ALA A 11 -2.126 13.694 -7.092 1.00 0.00 C ATOM 161 C ALA A 11 -2.710 14.931 -6.421 1.00 0.00 C ATOM 162 O ALA A 11 -3.267 15.805 -7.086 1.00 0.00 O ATOM 163 CB ALA A 11 -3.107 12.534 -7.007 1.00 0.00 C ATOM 164 H ALA A 11 -0.725 12.387 -6.140 1.00 0.00 H ATOM 165 HA ALA A 11 -1.964 13.912 -8.148 1.00 0.00 H ATOM 166 1HB ALA A 11 -4.056 12.825 -7.457 1.00 0.00 H ATOM 167 2HB ALA A 11 -2.701 11.674 -7.541 1.00 0.00 H ATOM 168 3HB ALA A 11 -3.267 12.269 -5.963 1.00 0.00 H ATOM 169 N LYS A 12 -2.578 15.000 -5.101 1.00 0.00 N ATOM 170 CA LYS A 12 -3.062 16.147 -4.342 1.00 0.00 C ATOM 171 C LYS A 12 -2.192 17.373 -4.584 1.00 0.00 C ATOM 172 O LYS A 12 -2.699 18.485 -4.739 1.00 0.00 O ATOM 173 CB LYS A 12 -3.107 15.820 -2.848 1.00 0.00 C ATOM 174 CG LYS A 12 -4.184 14.817 -2.456 1.00 0.00 C ATOM 175 CD LYS A 12 -4.140 14.514 -0.966 1.00 0.00 C ATOM 176 CE LYS A 12 -5.205 13.501 -0.575 1.00 0.00 C ATOM 177 NZ LYS A 12 -5.154 13.171 0.876 1.00 0.00 N ATOM 178 H LYS A 12 -2.133 14.237 -4.611 1.00 0.00 H ATOM 179 HA LYS A 12 -4.080 16.371 -4.663 1.00 0.00 H ATOM 180 1HB LYS A 12 -2.144 15.417 -2.535 1.00 0.00 H ATOM 181 2HB LYS A 12 -3.279 16.735 -2.281 1.00 0.00 H ATOM 182 1HG LYS A 12 -5.166 15.220 -2.708 1.00 0.00 H ATOM 183 2HG LYS A 12 -4.038 13.891 -3.011 1.00 0.00 H ATOM 184 1HD LYS A 12 -3.159 14.118 -0.703 1.00 0.00 H ATOM 185 2HD LYS A 12 -4.303 15.433 -0.403 1.00 0.00 H ATOM 186 1HE LYS A 12 -6.191 13.900 -0.810 1.00 0.00 H ATOM 187 2HE LYS A 12 -5.063 12.584 -1.147 1.00 0.00 H ATOM 188 1HZ LYS A 12 -5.874 12.497 1.094 1.00 0.00 H ATOM 189 2HZ LYS A 12 -4.250 12.782 1.102 1.00 0.00 H ATOM 190 3HZ LYS A 12 -5.304 14.010 1.417 1.00 0.00 H ATOM 191 N LEU A 13 -0.880 17.166 -4.615 1.00 0.00 N ATOM 192 CA LEU A 13 0.067 18.265 -4.765 1.00 0.00 C ATOM 193 C LEU A 13 -0.085 18.940 -6.122 1.00 0.00 C ATOM 194 O LEU A 13 -0.042 20.166 -6.224 1.00 0.00 O ATOM 195 CB LEU A 13 1.503 17.753 -4.599 1.00 0.00 C ATOM 196 CG LEU A 13 1.904 17.346 -3.175 1.00 0.00 C ATOM 197 CD1 LEU A 13 3.225 16.591 -3.216 1.00 0.00 C ATOM 198 CD2 LEU A 13 2.010 18.588 -2.303 1.00 0.00 C ATOM 199 H LEU A 13 -0.529 16.222 -4.533 1.00 0.00 H ATOM 200 HA LEU A 13 -0.131 19.000 -3.984 1.00 0.00 H ATOM 201 1HB LEU A 13 1.639 16.885 -5.242 1.00 0.00 H ATOM 202 2HB LEU A 13 2.190 18.533 -4.927 1.00 0.00 H ATOM 203 HG LEU A 13 1.149 16.676 -2.763 1.00 0.00 H ATOM 204 1HD1 LEU A 13 3.510 16.301 -2.204 1.00 0.00 H ATOM 205 2HD1 LEU A 13 3.115 15.698 -3.831 1.00 0.00 H ATOM 206 3HD1 LEU A 13 3.998 17.232 -3.641 1.00 0.00 H ATOM 207 1HD2 LEU A 13 2.295 18.298 -1.291 1.00 0.00 H ATOM 208 2HD2 LEU A 13 2.766 19.258 -2.714 1.00 0.00 H ATOM 209 3HD2 LEU A 13 1.048 19.098 -2.278 1.00 0.00 H ATOM 210 N LEU A 14 -0.262 18.134 -7.163 1.00 0.00 N ATOM 211 CA LEU A 14 -0.333 18.647 -8.526 1.00 0.00 C ATOM 212 C LEU A 14 -1.779 18.854 -8.961 1.00 0.00 C ATOM 213 O LEU A 14 -2.042 19.459 -10.000 1.00 0.00 O ATOM 214 CB LEU A 14 0.365 17.681 -9.492 1.00 0.00 C ATOM 215 CG LEU A 14 1.871 17.491 -9.269 1.00 0.00 C ATOM 216 CD1 LEU A 14 2.398 16.436 -10.232 1.00 0.00 C ATOM 217 CD2 LEU A 14 2.586 18.819 -9.468 1.00 0.00 C ATOM 218 H LEU A 14 -0.350 17.140 -7.006 1.00 0.00 H ATOM 219 HA LEU A 14 0.184 19.605 -8.562 1.00 0.00 H ATOM 220 1HB LEU A 14 -0.108 16.704 -9.409 1.00 0.00 H ATOM 221 2HB LEU A 14 0.224 18.046 -10.510 1.00 0.00 H ATOM 222 HG LEU A 14 2.046 17.133 -8.254 1.00 0.00 H ATOM 223 1HD1 LEU A 14 3.467 16.301 -10.074 1.00 0.00 H ATOM 224 2HD1 LEU A 14 1.884 15.492 -10.054 1.00 0.00 H ATOM 225 3HD1 LEU A 14 2.221 16.759 -11.258 1.00 0.00 H ATOM 226 1HD2 LEU A 14 3.656 18.684 -9.309 1.00 0.00 H ATOM 227 2HD2 LEU A 14 2.412 19.177 -10.483 1.00 0.00 H ATOM 228 3HD2 LEU A 14 2.202 19.549 -8.755 1.00 0.00 H ATOM 229 N ASN A 15 -2.711 18.347 -8.161 1.00 0.00 N ATOM 230 CA ASN A 15 -4.129 18.430 -8.490 1.00 0.00 C ATOM 231 C ASN A 15 -4.439 17.689 -9.784 1.00 0.00 C ATOM 232 O ASN A 15 -5.104 18.223 -10.672 1.00 0.00 O ATOM 233 CB ASN A 15 -4.572 19.878 -8.584 1.00 0.00 C ATOM 234 CG ASN A 15 -6.063 20.035 -8.475 1.00 0.00 C ATOM 235 OD1 ASN A 15 -6.732 19.263 -7.778 1.00 0.00 O ATOM 236 ND2 ASN A 15 -6.598 21.019 -9.151 1.00 0.00 N ATOM 237 H ASN A 15 -2.429 17.894 -7.304 1.00 0.00 H ATOM 238 HA ASN A 15 -4.697 17.944 -7.695 1.00 0.00 H ATOM 239 1HB ASN A 15 -4.099 20.456 -7.789 1.00 0.00 H ATOM 240 2HB ASN A 15 -4.243 20.298 -9.534 1.00 0.00 H ATOM 241 1HD2 ASN A 15 -7.586 21.171 -9.116 1.00 0.00 H ATOM 242 2HD2 ASN A 15 -6.019 21.619 -9.702 1.00 0.00 H ATOM 243 N ILE A 16 -3.951 16.457 -9.886 1.00 0.00 N ATOM 244 CA ILE A 16 -4.162 15.646 -11.079 1.00 0.00 C ATOM 245 C ILE A 16 -4.682 14.261 -10.719 1.00 0.00 C ATOM 246 O ILE A 16 -4.786 13.912 -9.544 1.00 0.00 O ATOM 247 CB ILE A 16 -2.859 15.512 -11.889 1.00 0.00 C ATOM 248 CG1 ILE A 16 -1.783 14.809 -11.056 1.00 0.00 C ATOM 249 CG2 ILE A 16 -2.373 16.879 -12.346 1.00 0.00 C ATOM 250 CD1 ILE A 16 -0.499 14.550 -11.809 1.00 0.00 C ATOM 251 H ILE A 16 -3.422 16.072 -9.116 1.00 0.00 H ATOM 252 HA ILE A 16 -4.899 16.144 -11.711 1.00 0.00 H ATOM 253 HB ILE A 16 -3.036 14.888 -12.763 1.00 0.00 H ATOM 254 1HG1 ILE A 16 -1.550 15.413 -10.179 1.00 0.00 H ATOM 255 2HG1 ILE A 16 -2.166 13.852 -10.698 1.00 0.00 H ATOM 256 1HG2 ILE A 16 -1.451 16.765 -12.916 1.00 0.00 H ATOM 257 2HG2 ILE A 16 -3.132 17.342 -12.974 1.00 0.00 H ATOM 258 3HG2 ILE A 16 -2.187 17.509 -11.476 1.00 0.00 H ATOM 259 1HD1 ILE A 16 0.214 14.050 -11.153 1.00 0.00 H ATOM 260 2HD1 ILE A 16 -0.704 13.918 -12.673 1.00 0.00 H ATOM 261 3HD1 ILE A 16 -0.078 15.498 -12.145 1.00 0.00 H ATOM 262 N ASP A 17 -5.009 13.474 -11.739 1.00 0.00 N ATOM 263 CA ASP A 17 -5.488 12.113 -11.534 1.00 0.00 C ATOM 264 C ASP A 17 -4.356 11.190 -11.098 1.00 0.00 C ATOM 265 O ASP A 17 -3.194 11.414 -11.438 1.00 0.00 O ATOM 266 CB ASP A 17 -6.132 11.572 -12.812 1.00 0.00 C ATOM 267 CG ASP A 17 -6.989 10.337 -12.568 1.00 0.00 C ATOM 268 OD1 ASP A 17 -8.160 10.491 -12.315 1.00 0.00 O ATOM 269 OD2 ASP A 17 -6.464 9.252 -12.637 1.00 0.00 O ATOM 270 H ASP A 17 -4.923 13.828 -12.681 1.00 0.00 H ATOM 271 HA ASP A 17 -6.241 12.126 -10.744 1.00 0.00 H ATOM 272 1HB ASP A 17 -6.756 12.346 -13.261 1.00 0.00 H ATOM 273 2HB ASP A 17 -5.354 11.320 -13.534 1.00 0.00 H ATOM 274 N GLU A 18 -4.702 10.152 -10.345 1.00 0.00 N ATOM 275 CA GLU A 18 -3.717 9.183 -9.877 1.00 0.00 C ATOM 276 C GLU A 18 -3.022 8.497 -11.047 1.00 0.00 C ATOM 277 O GLU A 18 -1.841 8.158 -10.966 1.00 0.00 O ATOM 278 CB GLU A 18 -4.383 8.136 -8.982 1.00 0.00 C ATOM 279 CG GLU A 18 -4.844 8.665 -7.631 1.00 0.00 C ATOM 280 CD GLU A 18 -5.477 7.606 -6.772 1.00 0.00 C ATOM 281 OE1 GLU A 18 -5.603 6.495 -7.229 1.00 0.00 O ATOM 282 OE2 GLU A 18 -5.834 7.908 -5.658 1.00 0.00 O ATOM 283 H GLU A 18 -5.671 10.031 -10.089 1.00 0.00 H ATOM 284 HA GLU A 18 -2.969 9.710 -9.285 1.00 0.00 H ATOM 285 1HB GLU A 18 -5.251 7.720 -9.492 1.00 0.00 H ATOM 286 2HB GLU A 18 -3.687 7.317 -8.800 1.00 0.00 H ATOM 287 1HG GLU A 18 -3.986 9.080 -7.103 1.00 0.00 H ATOM 288 2HG GLU A 18 -5.559 9.470 -7.793 1.00 0.00 H ATOM 289 N GLU A 19 -3.760 8.296 -12.132 1.00 0.00 N ATOM 290 CA GLU A 19 -3.208 7.675 -13.330 1.00 0.00 C ATOM 291 C GLU A 19 -2.214 8.598 -14.021 1.00 0.00 C ATOM 292 O GLU A 19 -1.221 8.144 -14.591 1.00 0.00 O ATOM 293 CB GLU A 19 -4.330 7.299 -14.301 1.00 0.00 C ATOM 294 CG GLU A 19 -5.234 6.177 -13.812 1.00 0.00 C ATOM 295 CD GLU A 19 -4.490 4.896 -13.555 1.00 0.00 C ATOM 296 OE1 GLU A 19 -3.785 4.455 -14.429 1.00 0.00 O ATOM 297 OE2 GLU A 19 -4.628 4.358 -12.481 1.00 0.00 O ATOM 298 H GLU A 19 -4.729 8.580 -12.128 1.00 0.00 H ATOM 299 HA GLU A 19 -2.690 6.760 -13.038 1.00 0.00 H ATOM 300 1HB GLU A 19 -4.954 8.172 -14.491 1.00 0.00 H ATOM 301 2HB GLU A 19 -3.899 6.991 -15.253 1.00 0.00 H ATOM 302 1HG GLU A 19 -5.721 6.492 -12.890 1.00 0.00 H ATOM 303 2HG GLU A 19 -6.009 5.998 -14.557 1.00 0.00 H ATOM 304 N GLN A 20 -2.486 9.898 -13.969 1.00 0.00 N ATOM 305 CA GLN A 20 -1.570 10.896 -14.509 1.00 0.00 C ATOM 306 C GLN A 20 -0.278 10.951 -13.703 1.00 0.00 C ATOM 307 O GLN A 20 0.797 11.197 -14.251 1.00 0.00 O ATOM 308 CB GLN A 20 -2.232 12.276 -14.530 1.00 0.00 C ATOM 309 CG GLN A 20 -3.334 12.422 -15.565 1.00 0.00 C ATOM 310 CD GLN A 20 -4.019 13.774 -15.494 1.00 0.00 C ATOM 311 OE1 GLN A 20 -4.567 14.154 -14.456 1.00 0.00 O ATOM 312 NE2 GLN A 20 -3.992 14.508 -16.601 1.00 0.00 N ATOM 313 H GLN A 20 -3.349 10.203 -13.543 1.00 0.00 H ATOM 314 HA GLN A 20 -1.329 10.623 -15.537 1.00 0.00 H ATOM 315 1HB GLN A 20 -2.660 12.489 -13.550 1.00 0.00 H ATOM 316 2HB GLN A 20 -1.479 13.038 -14.731 1.00 0.00 H ATOM 317 1HG GLN A 20 -2.902 12.309 -16.559 1.00 0.00 H ATOM 318 2HG GLN A 20 -4.084 11.650 -15.393 1.00 0.00 H ATOM 319 1HE2 GLN A 20 -4.427 15.409 -16.614 1.00 0.00 H ATOM 320 2HE2 GLN A 20 -3.536 14.161 -17.421 1.00 0.00 H ATOM 321 N VAL A 21 -0.389 10.720 -12.399 1.00 0.00 N ATOM 322 CA VAL A 21 0.782 10.623 -11.536 1.00 0.00 C ATOM 323 C VAL A 21 1.669 9.453 -11.941 1.00 0.00 C ATOM 324 O VAL A 21 2.888 9.592 -12.046 1.00 0.00 O ATOM 325 CB VAL A 21 0.350 10.453 -10.067 1.00 0.00 C ATOM 326 CG1 VAL A 21 1.558 10.169 -9.186 1.00 0.00 C ATOM 327 CG2 VAL A 21 -0.382 11.699 -9.595 1.00 0.00 C ATOM 328 H VAL A 21 -1.308 10.610 -11.996 1.00 0.00 H ATOM 329 HA VAL A 21 1.356 11.545 -11.627 1.00 0.00 H ATOM 330 HB VAL A 21 -0.313 9.590 -9.991 1.00 0.00 H ATOM 331 1HG1 VAL A 21 1.234 10.052 -8.152 1.00 0.00 H ATOM 332 2HG1 VAL A 21 2.046 9.254 -9.521 1.00 0.00 H ATOM 333 3HG1 VAL A 21 2.260 11.001 -9.253 1.00 0.00 H ATOM 334 1HG2 VAL A 21 -0.686 11.571 -8.556 1.00 0.00 H ATOM 335 2HG2 VAL A 21 0.279 12.562 -9.677 1.00 0.00 H ATOM 336 3HG2 VAL A 21 -1.266 11.858 -10.213 1.00 0.00 H ATOM 337 N LYS A 22 1.051 8.299 -12.166 1.00 0.00 N ATOM 338 CA LYS A 22 1.785 7.097 -12.546 1.00 0.00 C ATOM 339 C LYS A 22 2.621 7.336 -13.797 1.00 0.00 C ATOM 340 O LYS A 22 3.746 6.849 -13.906 1.00 0.00 O ATOM 341 CB LYS A 22 0.823 5.930 -12.770 1.00 0.00 C ATOM 342 CG LYS A 22 0.166 5.403 -11.501 1.00 0.00 C ATOM 343 CD LYS A 22 -0.854 4.320 -11.817 1.00 0.00 C ATOM 344 CE LYS A 22 -1.609 3.889 -10.567 1.00 0.00 C ATOM 345 NZ LYS A 22 -2.705 2.931 -10.881 1.00 0.00 N ATOM 346 H LYS A 22 0.047 8.251 -12.071 1.00 0.00 H ATOM 347 HA LYS A 22 2.452 6.826 -11.726 1.00 0.00 H ATOM 348 1HB LYS A 22 0.031 6.238 -13.454 1.00 0.00 H ATOM 349 2HB LYS A 22 1.357 5.103 -13.239 1.00 0.00 H ATOM 350 1HG LYS A 22 0.929 4.990 -10.841 1.00 0.00 H ATOM 351 2HG LYS A 22 -0.333 6.221 -10.984 1.00 0.00 H ATOM 352 1HD LYS A 22 -1.568 4.693 -12.552 1.00 0.00 H ATOM 353 2HD LYS A 22 -0.346 3.452 -12.238 1.00 0.00 H ATOM 354 1HE LYS A 22 -0.919 3.417 -9.869 1.00 0.00 H ATOM 355 2HE LYS A 22 -2.039 4.766 -10.082 1.00 0.00 H ATOM 356 1HZ LYS A 22 -3.180 2.672 -10.028 1.00 0.00 H ATOM 357 2HZ LYS A 22 -3.362 3.366 -11.514 1.00 0.00 H ATOM 358 3HZ LYS A 22 -2.317 2.106 -11.315 1.00 0.00 H ATOM 359 N GLU A 23 2.063 8.088 -14.740 1.00 0.00 N ATOM 360 CA GLU A 23 2.783 8.451 -15.955 1.00 0.00 C ATOM 361 C GLU A 23 3.969 9.354 -15.644 1.00 0.00 C ATOM 362 O GLU A 23 5.036 9.222 -16.244 1.00 0.00 O ATOM 363 CB GLU A 23 1.844 9.147 -16.943 1.00 0.00 C ATOM 364 CG GLU A 23 0.793 8.236 -17.561 1.00 0.00 C ATOM 365 CD GLU A 23 1.388 7.157 -18.422 1.00 0.00 C ATOM 366 OE1 GLU A 23 2.169 7.477 -19.287 1.00 0.00 O ATOM 367 OE2 GLU A 23 1.062 6.012 -18.216 1.00 0.00 O ATOM 368 H GLU A 23 1.118 8.416 -14.612 1.00 0.00 H ATOM 369 HA GLU A 23 3.152 7.538 -16.424 1.00 0.00 H ATOM 370 1HB GLU A 23 1.325 9.962 -16.438 1.00 0.00 H ATOM 371 2HB GLU A 23 2.428 9.583 -17.754 1.00 0.00 H ATOM 372 1HG GLU A 23 0.216 7.770 -16.763 1.00 0.00 H ATOM 373 2HG GLU A 23 0.112 8.839 -18.160 1.00 0.00 H ATOM 374 N LEU A 24 3.776 10.272 -14.704 1.00 0.00 N ATOM 375 CA LEU A 24 4.844 11.170 -14.279 1.00 0.00 C ATOM 376 C LEU A 24 5.971 10.404 -13.598 1.00 0.00 C ATOM 377 O LEU A 24 7.148 10.708 -13.794 1.00 0.00 O ATOM 378 CB LEU A 24 4.292 12.235 -13.323 1.00 0.00 C ATOM 379 CG LEU A 24 5.280 13.331 -12.905 1.00 0.00 C ATOM 380 CD1 LEU A 24 5.838 14.013 -14.147 1.00 0.00 C ATOM 381 CD2 LEU A 24 4.577 14.332 -12.001 1.00 0.00 C ATOM 382 H LEU A 24 2.867 10.350 -14.270 1.00 0.00 H ATOM 383 HA LEU A 24 5.245 11.672 -15.161 1.00 0.00 H ATOM 384 1HB LEU A 24 3.441 12.721 -13.799 1.00 0.00 H ATOM 385 2HB LEU A 24 3.942 11.742 -12.417 1.00 0.00 H ATOM 386 HG LEU A 24 6.116 12.881 -12.368 1.00 0.00 H ATOM 387 1HD1 LEU A 24 6.541 14.792 -13.851 1.00 0.00 H ATOM 388 2HD1 LEU A 24 6.352 13.278 -14.766 1.00 0.00 H ATOM 389 3HD1 LEU A 24 5.022 14.459 -14.715 1.00 0.00 H ATOM 390 1HD2 LEU A 24 5.279 15.110 -11.704 1.00 0.00 H ATOM 391 2HD2 LEU A 24 3.742 14.783 -12.538 1.00 0.00 H ATOM 392 3HD2 LEU A 24 4.204 13.821 -11.114 1.00 0.00 H ATOM 393 N VAL A 25 5.604 9.408 -12.800 1.00 0.00 N ATOM 394 CA VAL A 25 6.583 8.532 -12.168 1.00 0.00 C ATOM 395 C VAL A 25 7.480 7.871 -13.206 1.00 0.00 C ATOM 396 O VAL A 25 8.702 7.838 -13.055 1.00 0.00 O ATOM 397 CB VAL A 25 5.872 7.444 -11.341 1.00 0.00 C ATOM 398 CG1 VAL A 25 6.868 6.391 -10.878 1.00 0.00 C ATOM 399 CG2 VAL A 25 5.164 8.077 -10.153 1.00 0.00 C ATOM 400 H VAL A 25 4.621 9.253 -12.624 1.00 0.00 H ATOM 401 HA VAL A 25 7.203 9.131 -11.500 1.00 0.00 H ATOM 402 HB VAL A 25 5.142 6.939 -11.974 1.00 0.00 H ATOM 403 1HG1 VAL A 25 6.348 5.630 -10.295 1.00 0.00 H ATOM 404 2HG1 VAL A 25 7.336 5.926 -11.745 1.00 0.00 H ATOM 405 3HG1 VAL A 25 7.632 6.861 -10.259 1.00 0.00 H ATOM 406 1HG2 VAL A 25 4.663 7.302 -9.574 1.00 0.00 H ATOM 407 2HG2 VAL A 25 5.894 8.587 -9.524 1.00 0.00 H ATOM 408 3HG2 VAL A 25 4.427 8.797 -10.510 1.00 0.00 H ATOM 409 N LYS A 26 6.868 7.343 -14.261 1.00 0.00 N ATOM 410 CA LYS A 26 7.607 6.646 -15.306 1.00 0.00 C ATOM 411 C LYS A 26 8.488 7.609 -16.093 1.00 0.00 C ATOM 412 O LYS A 26 9.664 7.336 -16.331 1.00 0.00 O ATOM 413 CB LYS A 26 6.645 5.922 -16.250 1.00 0.00 C ATOM 414 CG LYS A 26 5.960 4.707 -15.639 1.00 0.00 C ATOM 415 CD LYS A 26 5.136 3.958 -16.675 1.00 0.00 C ATOM 416 CE LYS A 26 3.896 4.745 -17.071 1.00 0.00 C ATOM 417 NZ LYS A 26 3.025 3.979 -18.004 1.00 0.00 N ATOM 418 H LYS A 26 5.865 7.427 -14.339 1.00 0.00 H ATOM 419 HA LYS A 26 8.243 5.894 -14.839 1.00 0.00 H ATOM 420 1HB LYS A 26 5.869 6.613 -16.579 1.00 0.00 H ATOM 421 2HB LYS A 26 7.186 5.590 -17.136 1.00 0.00 H ATOM 422 1HG LYS A 26 6.713 4.032 -15.228 1.00 0.00 H ATOM 423 2HG LYS A 26 5.306 5.028 -14.829 1.00 0.00 H ATOM 424 1HD LYS A 26 5.743 3.780 -17.564 1.00 0.00 H ATOM 425 2HD LYS A 26 4.828 2.994 -16.268 1.00 0.00 H ATOM 426 1HE LYS A 26 3.322 4.993 -16.179 1.00 0.00 H ATOM 427 2HE LYS A 26 4.194 5.675 -17.555 1.00 0.00 H ATOM 428 1HZ LYS A 26 2.215 4.534 -18.242 1.00 0.00 H ATOM 429 2HZ LYS A 26 3.542 3.759 -18.844 1.00 0.00 H ATOM 430 3HZ LYS A 26 2.726 3.123 -17.559 1.00 0.00 H ATOM 431 N LYS A 27 7.911 8.737 -16.495 1.00 0.00 N ATOM 432 CA LYS A 27 8.585 9.662 -17.398 1.00 0.00 C ATOM 433 C LYS A 27 9.861 10.210 -16.772 1.00 0.00 C ATOM 434 O LYS A 27 10.859 10.427 -17.460 1.00 0.00 O ATOM 435 CB LYS A 27 7.651 10.811 -17.781 1.00 0.00 C ATOM 436 CG LYS A 27 6.553 10.428 -18.765 1.00 0.00 C ATOM 437 CD LYS A 27 5.621 11.599 -19.036 1.00 0.00 C ATOM 438 CE LYS A 27 4.513 11.213 -20.005 1.00 0.00 C ATOM 439 NZ LYS A 27 3.576 12.341 -20.257 1.00 0.00 N ATOM 440 H LYS A 27 6.982 8.958 -16.167 1.00 0.00 H ATOM 441 HA LYS A 27 8.846 9.128 -18.312 1.00 0.00 H ATOM 442 1HB LYS A 27 7.174 11.207 -16.885 1.00 0.00 H ATOM 443 2HB LYS A 27 8.232 11.619 -18.227 1.00 0.00 H ATOM 444 1HG LYS A 27 7.003 10.106 -19.705 1.00 0.00 H ATOM 445 2HG LYS A 27 5.974 9.600 -18.358 1.00 0.00 H ATOM 446 1HD LYS A 27 5.174 11.933 -18.099 1.00 0.00 H ATOM 447 2HD LYS A 27 6.190 12.426 -19.462 1.00 0.00 H ATOM 448 1HE LYS A 27 4.950 10.901 -20.952 1.00 0.00 H ATOM 449 2HE LYS A 27 3.949 10.374 -19.597 1.00 0.00 H ATOM 450 1HZ LYS A 27 2.857 12.044 -20.902 1.00 0.00 H ATOM 451 2HZ LYS A 27 3.149 12.626 -19.386 1.00 0.00 H ATOM 452 3HZ LYS A 27 4.083 13.119 -20.653 1.00 0.00 H ATOM 453 N LEU A 28 9.824 10.433 -15.462 1.00 0.00 N ATOM 454 CA LEU A 28 10.962 10.997 -14.748 1.00 0.00 C ATOM 455 C LEU A 28 11.926 9.907 -14.297 1.00 0.00 C ATOM 456 O LEU A 28 12.975 10.191 -13.720 1.00 0.00 O ATOM 457 CB LEU A 28 10.481 11.798 -13.531 1.00 0.00 C ATOM 458 CG LEU A 28 9.683 13.070 -13.844 1.00 0.00 C ATOM 459 CD1 LEU A 28 9.171 13.681 -12.547 1.00 0.00 C ATOM 460 CD2 LEU A 28 10.567 14.050 -14.600 1.00 0.00 C ATOM 461 H LEU A 28 8.985 10.205 -14.949 1.00 0.00 H ATOM 462 HA LEU A 28 11.493 11.673 -15.421 1.00 0.00 H ATOM 463 1HB LEU A 28 9.852 11.154 -12.918 1.00 0.00 H ATOM 464 2HB LEU A 28 11.351 12.088 -12.941 1.00 0.00 H ATOM 465 HG LEU A 28 8.818 12.815 -14.457 1.00 0.00 H ATOM 466 1HD1 LEU A 28 8.604 14.585 -12.770 1.00 0.00 H ATOM 467 2HD1 LEU A 28 8.527 12.965 -12.037 1.00 0.00 H ATOM 468 3HD1 LEU A 28 10.015 13.932 -11.906 1.00 0.00 H ATOM 469 1HD2 LEU A 28 10.000 14.955 -14.824 1.00 0.00 H ATOM 470 2HD2 LEU A 28 11.432 14.307 -13.988 1.00 0.00 H ATOM 471 3HD2 LEU A 28 10.904 13.595 -15.530 1.00 0.00 H ATOM 472 N ASN A 29 11.564 8.657 -14.565 1.00 0.00 N ATOM 473 CA ASN A 29 12.376 7.519 -14.153 1.00 0.00 C ATOM 474 C ASN A 29 12.593 7.515 -12.645 1.00 0.00 C ATOM 475 O ASN A 29 13.725 7.416 -12.172 1.00 0.00 O ATOM 476 CB ASN A 29 13.706 7.519 -14.884 1.00 0.00 C ATOM 477 CG ASN A 29 13.547 7.364 -16.371 1.00 0.00 C ATOM 478 OD1 ASN A 29 12.857 6.453 -16.843 1.00 0.00 O ATOM 479 ND2 ASN A 29 14.173 8.237 -17.119 1.00 0.00 N ATOM 480 H ASN A 29 10.704 8.491 -15.069 1.00 0.00 H ATOM 481 HA ASN A 29 11.841 6.601 -14.404 1.00 0.00 H ATOM 482 1HB ASN A 29 14.233 8.452 -14.681 1.00 0.00 H ATOM 483 2HB ASN A 29 14.326 6.704 -14.510 1.00 0.00 H ATOM 484 1HD2 ASN A 29 14.103 8.184 -18.116 1.00 0.00 H ATOM 485 2HD2 ASN A 29 14.720 8.958 -16.694 1.00 0.00 H ATOM 486 N VAL A 30 11.502 7.622 -11.895 1.00 0.00 N ATOM 487 CA VAL A 30 11.571 7.621 -10.439 1.00 0.00 C ATOM 488 C VAL A 30 10.595 6.614 -9.843 1.00 0.00 C ATOM 489 O VAL A 30 9.759 6.051 -10.550 1.00 0.00 O ATOM 490 CB VAL A 30 11.256 9.025 -9.888 1.00 0.00 C ATOM 491 CG1 VAL A 30 12.274 10.036 -10.393 1.00 0.00 C ATOM 492 CG2 VAL A 30 9.846 9.433 -10.287 1.00 0.00 C ATOM 493 H VAL A 30 10.602 7.708 -12.345 1.00 0.00 H ATOM 494 HA VAL A 30 12.583 7.346 -10.140 1.00 0.00 H ATOM 495 HB VAL A 30 11.335 9.004 -8.801 1.00 0.00 H ATOM 496 1HG1 VAL A 30 12.037 11.022 -9.994 1.00 0.00 H ATOM 497 2HG1 VAL A 30 13.271 9.743 -10.065 1.00 0.00 H ATOM 498 3HG1 VAL A 30 12.244 10.069 -11.482 1.00 0.00 H ATOM 499 1HG2 VAL A 30 9.630 10.426 -9.894 1.00 0.00 H ATOM 500 2HG2 VAL A 30 9.765 9.448 -11.374 1.00 0.00 H ATOM 501 3HG2 VAL A 30 9.131 8.719 -9.880 1.00 0.00 H ATOM 502 N SER A 31 10.705 6.392 -8.538 1.00 0.00 N ATOM 503 CA SER A 31 9.638 5.757 -7.775 1.00 0.00 C ATOM 504 C SER A 31 8.570 6.768 -7.376 1.00 0.00 C ATOM 505 O SER A 31 8.782 7.977 -7.467 1.00 0.00 O ATOM 506 CB SER A 31 10.206 5.092 -6.537 1.00 0.00 C ATOM 507 OG SER A 31 10.735 6.042 -5.654 1.00 0.00 O ATOM 508 H SER A 31 11.552 6.670 -8.061 1.00 0.00 H ATOM 509 HA SER A 31 9.170 4.996 -8.401 1.00 0.00 H ATOM 510 1HB SER A 31 9.421 4.524 -6.037 1.00 0.00 H ATOM 511 2HB SER A 31 10.985 4.388 -6.827 1.00 0.00 H ATOM 512 HG SER A 31 11.558 6.341 -6.048 1.00 0.00 H ATOM 513 N ALA A 32 7.422 6.264 -6.934 1.00 0.00 N ATOM 514 CA ALA A 32 6.330 7.122 -6.489 1.00 0.00 C ATOM 515 C ALA A 32 6.751 7.978 -5.301 1.00 0.00 C ATOM 516 O ALA A 32 6.399 9.156 -5.217 1.00 0.00 O ATOM 517 CB ALA A 32 5.110 6.286 -6.134 1.00 0.00 C ATOM 518 H ALA A 32 7.303 5.262 -6.905 1.00 0.00 H ATOM 519 HA ALA A 32 6.051 7.781 -7.313 1.00 0.00 H ATOM 520 1HB ALA A 32 4.304 6.941 -5.804 1.00 0.00 H ATOM 521 2HB ALA A 32 4.786 5.724 -7.010 1.00 0.00 H ATOM 522 3HB ALA A 32 5.365 5.594 -5.333 1.00 0.00 H ATOM 523 N GLN A 33 7.504 7.380 -4.385 1.00 0.00 N ATOM 524 CA GLN A 33 7.958 8.081 -3.190 1.00 0.00 C ATOM 525 C GLN A 33 8.972 9.163 -3.537 1.00 0.00 C ATOM 526 O GLN A 33 8.956 10.250 -2.961 1.00 0.00 O ATOM 527 CB GLN A 33 8.567 7.096 -2.189 1.00 0.00 C ATOM 528 CG GLN A 33 7.565 6.134 -1.574 1.00 0.00 C ATOM 529 CD GLN A 33 8.225 5.108 -0.673 1.00 0.00 C ATOM 530 OE1 GLN A 33 8.564 5.398 0.478 1.00 0.00 O ATOM 531 NE2 GLN A 33 8.411 3.899 -1.191 1.00 0.00 N ATOM 532 H GLN A 33 7.769 6.415 -4.520 1.00 0.00 H ATOM 533 HA GLN A 33 7.094 8.550 -2.715 1.00 0.00 H ATOM 534 1HB GLN A 33 9.339 6.506 -2.683 1.00 0.00 H ATOM 535 2HB GLN A 33 9.044 7.648 -1.379 1.00 0.00 H ATOM 536 1HG GLN A 33 6.850 6.702 -0.978 1.00 0.00 H ATOM 537 2HG GLN A 33 7.047 5.604 -2.373 1.00 0.00 H ATOM 538 1HE2 GLN A 33 8.843 3.181 -0.643 1.00 0.00 H ATOM 539 2HE2 GLN A 33 8.121 3.706 -2.128 1.00 0.00 H ATOM 540 N GLU A 34 9.854 8.858 -4.483 1.00 0.00 N ATOM 541 CA GLU A 34 10.832 9.829 -4.961 1.00 0.00 C ATOM 542 C GLU A 34 10.150 11.001 -5.653 1.00 0.00 C ATOM 543 O GLU A 34 10.614 12.139 -5.571 1.00 0.00 O ATOM 544 CB GLU A 34 11.821 9.162 -5.920 1.00 0.00 C ATOM 545 CG GLU A 34 12.864 8.287 -5.240 1.00 0.00 C ATOM 546 CD GLU A 34 13.674 7.478 -6.214 1.00 0.00 C ATOM 547 OE1 GLU A 34 13.091 6.841 -7.058 1.00 0.00 O ATOM 548 OE2 GLU A 34 14.878 7.498 -6.115 1.00 0.00 O ATOM 549 H GLU A 34 9.847 7.930 -4.881 1.00 0.00 H ATOM 550 HA GLU A 34 11.392 10.205 -4.105 1.00 0.00 H ATOM 551 1HB GLU A 34 11.275 8.542 -6.631 1.00 0.00 H ATOM 552 2HB GLU A 34 12.347 9.928 -6.490 1.00 0.00 H ATOM 553 1HG GLU A 34 13.537 8.923 -4.665 1.00 0.00 H ATOM 554 2HG GLU A 34 12.362 7.615 -4.546 1.00 0.00 H ATOM 555 N LEU A 35 9.045 10.719 -6.336 1.00 0.00 N ATOM 556 CA LEU A 35 8.277 11.756 -7.014 1.00 0.00 C ATOM 557 C LEU A 35 7.681 12.740 -6.016 1.00 0.00 C ATOM 558 O LEU A 35 7.695 13.950 -6.238 1.00 0.00 O ATOM 559 CB LEU A 35 7.157 11.125 -7.850 1.00 0.00 C ATOM 560 CG LEU A 35 6.308 12.103 -8.672 1.00 0.00 C ATOM 561 CD1 LEU A 35 7.214 12.925 -9.579 1.00 0.00 C ATOM 562 CD2 LEU A 35 5.281 11.328 -9.483 1.00 0.00 C ATOM 563 H LEU A 35 8.731 9.760 -6.386 1.00 0.00 H ATOM 564 HA LEU A 35 8.944 12.299 -7.684 1.00 0.00 H ATOM 565 1HB LEU A 35 7.600 10.410 -8.541 1.00 0.00 H ATOM 566 2HB LEU A 35 6.486 10.585 -7.182 1.00 0.00 H ATOM 567 HG LEU A 35 5.795 12.793 -8.001 1.00 0.00 H ATOM 568 1HD1 LEU A 35 6.611 13.620 -10.163 1.00 0.00 H ATOM 569 2HD1 LEU A 35 7.926 13.484 -8.972 1.00 0.00 H ATOM 570 3HD1 LEU A 35 7.754 12.259 -10.252 1.00 0.00 H ATOM 571 1HD2 LEU A 35 4.677 12.023 -10.066 1.00 0.00 H ATOM 572 2HD2 LEU A 35 5.792 10.639 -10.155 1.00 0.00 H ATOM 573 3HD2 LEU A 35 4.635 10.764 -8.809 1.00 0.00 H ATOM 574 N VAL A 36 7.156 12.214 -4.914 1.00 0.00 N ATOM 575 CA VAL A 36 6.621 13.049 -3.845 1.00 0.00 C ATOM 576 C VAL A 36 7.635 14.096 -3.405 1.00 0.00 C ATOM 577 O VAL A 36 7.315 15.281 -3.305 1.00 0.00 O ATOM 578 CB VAL A 36 6.225 12.181 -2.636 1.00 0.00 C ATOM 579 CG1 VAL A 36 5.944 13.055 -1.423 1.00 0.00 C ATOM 580 CG2 VAL A 36 5.011 11.333 -2.983 1.00 0.00 C ATOM 581 H VAL A 36 7.127 11.209 -4.814 1.00 0.00 H ATOM 582 HA VAL A 36 5.731 13.559 -4.217 1.00 0.00 H ATOM 583 HB VAL A 36 7.061 11.531 -2.378 1.00 0.00 H ATOM 584 1HG1 VAL A 36 5.666 12.425 -0.577 1.00 0.00 H ATOM 585 2HG1 VAL A 36 6.838 13.626 -1.171 1.00 0.00 H ATOM 586 3HG1 VAL A 36 5.127 13.739 -1.648 1.00 0.00 H ATOM 587 1HG2 VAL A 36 4.737 10.722 -2.124 1.00 0.00 H ATOM 588 2HG2 VAL A 36 4.176 11.983 -3.248 1.00 0.00 H ATOM 589 3HG2 VAL A 36 5.248 10.686 -3.827 1.00 0.00 H ATOM 590 N GLU A 37 8.859 13.653 -3.142 1.00 0.00 N ATOM 591 CA GLU A 37 9.943 14.561 -2.785 1.00 0.00 C ATOM 592 C GLU A 37 10.185 15.589 -3.883 1.00 0.00 C ATOM 593 O GLU A 37 10.278 16.787 -3.615 1.00 0.00 O ATOM 594 CB GLU A 37 11.229 13.777 -2.514 1.00 0.00 C ATOM 595 CG GLU A 37 12.427 14.642 -2.147 1.00 0.00 C ATOM 596 CD GLU A 37 13.673 13.839 -1.899 1.00 0.00 C ATOM 597 OE1 GLU A 37 13.593 12.634 -1.908 1.00 0.00 O ATOM 598 OE2 GLU A 37 14.708 14.432 -1.699 1.00 0.00 O ATOM 599 H GLU A 37 9.045 12.661 -3.190 1.00 0.00 H ATOM 600 HA GLU A 37 9.668 15.085 -1.870 1.00 0.00 H ATOM 601 1HB GLU A 37 11.062 13.074 -1.699 1.00 0.00 H ATOM 602 2HB GLU A 37 11.494 13.197 -3.398 1.00 0.00 H ATOM 603 1HG GLU A 37 12.617 15.345 -2.958 1.00 0.00 H ATOM 604 2HG GLU A 37 12.186 15.217 -1.254 1.00 0.00 H ATOM 605 N TRP A 38 10.283 15.114 -5.120 1.00 0.00 N ATOM 606 CA TRP A 38 10.553 15.987 -6.256 1.00 0.00 C ATOM 607 C TRP A 38 9.490 17.070 -6.384 1.00 0.00 C ATOM 608 O TRP A 38 9.807 18.251 -6.525 1.00 0.00 O ATOM 609 CB TRP A 38 10.617 15.173 -7.550 1.00 0.00 C ATOM 610 CG TRP A 38 10.902 16.003 -8.765 1.00 0.00 C ATOM 611 CD1 TRP A 38 12.120 16.459 -9.173 1.00 0.00 C ATOM 612 CD2 TRP A 38 9.946 16.482 -9.742 1.00 0.00 C ATOM 613 NE1 TRP A 38 11.989 17.186 -10.330 1.00 0.00 N ATOM 614 CE2 TRP A 38 10.666 17.209 -10.694 1.00 0.00 C ATOM 615 CE3 TRP A 38 8.559 16.352 -9.883 1.00 0.00 C ATOM 616 CZ2 TRP A 38 10.048 17.812 -11.778 1.00 0.00 C ATOM 617 CZ3 TRP A 38 7.939 16.955 -10.971 1.00 0.00 C ATOM 618 CH2 TRP A 38 8.665 17.665 -11.894 1.00 0.00 C ATOM 619 H TRP A 38 10.168 14.123 -5.277 1.00 0.00 H ATOM 620 HA TRP A 38 11.522 16.464 -6.104 1.00 0.00 H ATOM 621 1HB TRP A 38 11.393 14.413 -7.464 1.00 0.00 H ATOM 622 2HB TRP A 38 9.669 14.658 -7.702 1.00 0.00 H ATOM 623 HD1 TRP A 38 13.059 16.274 -8.656 1.00 0.00 H ATOM 624 HE1 TRP A 38 12.743 17.633 -10.833 1.00 0.00 H ATOM 625 HE3 TRP A 38 7.978 15.787 -9.155 1.00 0.00 H ATOM 626 HZ2 TRP A 38 10.607 18.380 -12.521 1.00 0.00 H ATOM 627 HZ3 TRP A 38 6.859 16.850 -11.074 1.00 0.00 H ATOM 628 HH2 TRP A 38 8.147 18.126 -12.736 1.00 0.00 H ATOM 629 N VAL A 39 8.227 16.661 -6.334 1.00 0.00 N ATOM 630 CA VAL A 39 7.114 17.587 -6.509 1.00 0.00 C ATOM 631 C VAL A 39 7.092 18.636 -5.404 1.00 0.00 C ATOM 632 O VAL A 39 6.902 19.824 -5.668 1.00 0.00 O ATOM 633 CB VAL A 39 5.778 16.821 -6.513 1.00 0.00 C ATOM 634 CG1 VAL A 39 4.608 17.791 -6.456 1.00 0.00 C ATOM 635 CG2 VAL A 39 5.689 15.941 -7.751 1.00 0.00 C ATOM 636 H VAL A 39 8.032 15.684 -6.171 1.00 0.00 H ATOM 637 HA VAL A 39 7.231 18.091 -7.469 1.00 0.00 H ATOM 638 HB VAL A 39 5.723 16.198 -5.620 1.00 0.00 H ATOM 639 1HG1 VAL A 39 3.671 17.233 -6.460 1.00 0.00 H ATOM 640 2HG1 VAL A 39 4.672 18.385 -5.544 1.00 0.00 H ATOM 641 3HG1 VAL A 39 4.639 18.451 -7.323 1.00 0.00 H ATOM 642 1HG2 VAL A 39 4.742 15.402 -7.748 1.00 0.00 H ATOM 643 2HG2 VAL A 39 5.750 16.563 -8.645 1.00 0.00 H ATOM 644 3HG2 VAL A 39 6.513 15.227 -7.750 1.00 0.00 H ATOM 645 N ARG A 40 7.285 18.191 -4.168 1.00 0.00 N ATOM 646 CA ARG A 40 7.263 19.087 -3.019 1.00 0.00 C ATOM 647 C ARG A 40 8.366 20.134 -3.116 1.00 0.00 C ATOM 648 O ARG A 40 8.194 21.272 -2.678 1.00 0.00 O ATOM 649 CB ARG A 40 7.425 18.302 -1.725 1.00 0.00 C ATOM 650 CG ARG A 40 6.209 17.488 -1.314 1.00 0.00 C ATOM 651 CD ARG A 40 6.432 16.778 -0.029 1.00 0.00 C ATOM 652 NE ARG A 40 5.355 15.847 0.270 1.00 0.00 N ATOM 653 CZ ARG A 40 4.156 16.200 0.771 1.00 0.00 C ATOM 654 NH1 ARG A 40 3.895 17.464 1.023 1.00 0.00 N ATOM 655 NH2 ARG A 40 3.241 15.277 1.010 1.00 0.00 N ATOM 656 H ARG A 40 7.451 17.205 -4.020 1.00 0.00 H ATOM 657 HA ARG A 40 6.299 19.595 -2.994 1.00 0.00 H ATOM 658 1HB ARG A 40 8.265 17.615 -1.819 1.00 0.00 H ATOM 659 2HB ARG A 40 7.654 18.989 -0.909 1.00 0.00 H ATOM 660 1HG ARG A 40 5.351 18.150 -1.195 1.00 0.00 H ATOM 661 2HG ARG A 40 5.991 16.746 -2.083 1.00 0.00 H ATOM 662 1HD ARG A 40 7.364 16.215 -0.081 1.00 0.00 H ATOM 663 2HD ARG A 40 6.491 17.503 0.782 1.00 0.00 H ATOM 664 HE ARG A 40 5.519 14.865 0.089 1.00 0.00 H ATOM 665 1HH1 ARG A 40 4.594 18.170 0.841 1.00 0.00 H ATOM 666 2HH1 ARG A 40 2.996 17.729 1.399 1.00 0.00 H ATOM 667 1HH2 ARG A 40 3.441 14.305 0.816 1.00 0.00 H ATOM 668 2HH2 ARG A 40 2.342 15.541 1.385 1.00 0.00 H ATOM 669 N LYS A 41 9.497 19.743 -3.693 1.00 0.00 N ATOM 670 CA LYS A 41 10.645 20.634 -3.810 1.00 0.00 C ATOM 671 C LYS A 41 10.600 21.421 -5.114 1.00 0.00 C ATOM 672 O LYS A 41 11.148 22.520 -5.206 1.00 0.00 O ATOM 673 CB LYS A 41 11.950 19.842 -3.718 1.00 0.00 C ATOM 674 CG LYS A 41 12.238 19.263 -2.339 1.00 0.00 C ATOM 675 CD LYS A 41 13.528 18.456 -2.336 1.00 0.00 C ATOM 676 CE LYS A 41 13.892 17.998 -0.932 1.00 0.00 C ATOM 677 NZ LYS A 41 15.091 17.116 -0.928 1.00 0.00 N ATOM 678 H LYS A 41 9.563 18.805 -4.061 1.00 0.00 H ATOM 679 HA LYS A 41 10.623 21.338 -2.977 1.00 0.00 H ATOM 680 1HB LYS A 41 11.925 19.016 -4.429 1.00 0.00 H ATOM 681 2HB LYS A 41 12.786 20.485 -3.992 1.00 0.00 H ATOM 682 1HG LYS A 41 12.325 20.074 -1.615 1.00 0.00 H ATOM 683 2HG LYS A 41 11.415 18.617 -2.036 1.00 0.00 H ATOM 684 1HD LYS A 41 13.411 17.581 -2.977 1.00 0.00 H ATOM 685 2HD LYS A 41 14.340 19.067 -2.731 1.00 0.00 H ATOM 686 1HE LYS A 41 14.094 18.867 -0.307 1.00 0.00 H ATOM 687 2HE LYS A 41 13.054 17.452 -0.499 1.00 0.00 H ATOM 688 1HZ LYS A 41 15.299 16.834 0.019 1.00 0.00 H ATOM 689 2HZ LYS A 41 14.908 16.296 -1.491 1.00 0.00 H ATOM 690 3HZ LYS A 41 15.880 17.617 -1.311 1.00 0.00 H ATOM 691 N HIS A 42 9.947 20.852 -6.121 1.00 0.00 N ATOM 692 CA HIS A 42 9.905 21.456 -7.447 1.00 0.00 C ATOM 693 C HIS A 42 8.743 22.434 -7.571 1.00 0.00 C ATOM 694 O HIS A 42 8.908 23.550 -8.064 1.00 0.00 O ATOM 695 CB HIS A 42 9.791 20.379 -8.529 1.00 0.00 C ATOM 696 CG HIS A 42 9.799 20.923 -9.924 1.00 0.00 C ATOM 697 ND1 HIS A 42 10.937 21.426 -10.519 1.00 0.00 N ATOM 698 CD2 HIS A 42 8.809 21.046 -10.839 1.00 0.00 C ATOM 699 CE1 HIS A 42 10.646 21.833 -11.743 1.00 0.00 C ATOM 700 NE2 HIS A 42 9.362 21.614 -11.961 1.00 0.00 N ATOM 701 H HIS A 42 9.465 19.978 -5.964 1.00 0.00 H ATOM 702 HA HIS A 42 10.838 21.999 -7.610 1.00 0.00 H ATOM 703 1HB HIS A 42 10.620 19.676 -8.433 1.00 0.00 H ATOM 704 2HB HIS A 42 8.868 19.817 -8.388 1.00 0.00 H ATOM 705 HD1 HIS A 42 11.860 21.414 -10.135 1.00 0.00 H ATOM 706 HD2 HIS A 42 7.750 20.788 -10.823 1.00 0.00 H ATOM 707 HE1 HIS A 42 11.416 22.264 -12.382 1.00 0.00 H ATOM 708 N LEU A 43 7.568 22.008 -7.121 1.00 0.00 N ATOM 709 CA LEU A 43 6.346 22.777 -7.323 1.00 0.00 C ATOM 710 C LEU A 43 6.389 24.092 -6.555 1.00 0.00 C ATOM 711 O LEU A 43 7.021 24.187 -5.503 1.00 0.00 O ATOM 712 OXT LEU A 43 5.802 25.050 -6.974 1.00 0.00 O ATOM 713 CB LEU A 43 5.127 21.958 -6.881 1.00 0.00 C ATOM 714 CG LEU A 43 3.760 22.589 -7.175 1.00 0.00 C ATOM 715 CD1 LEU A 43 3.547 22.661 -8.681 1.00 0.00 C ATOM 716 CD2 LEU A 43 2.667 21.769 -6.507 1.00 0.00 C ATOM 717 H LEU A 43 7.520 21.129 -6.625 1.00 0.00 H ATOM 718 HA LEU A 43 6.252 23.004 -8.385 1.00 0.00 H ATOM 719 1HB LEU A 43 5.159 20.991 -7.379 1.00 0.00 H ATOM 720 2HB LEU A 43 5.190 21.793 -5.805 1.00 0.00 H ATOM 721 HG LEU A 43 3.738 23.608 -6.787 1.00 0.00 H ATOM 722 1HD1 LEU A 43 2.576 23.110 -8.890 1.00 0.00 H ATOM 723 2HD1 LEU A 43 4.331 23.270 -9.131 1.00 0.00 H ATOM 724 3HD1 LEU A 43 3.580 21.656 -9.101 1.00 0.00 H ATOM 725 1HD2 LEU A 43 1.695 22.218 -6.715 1.00 0.00 H ATOM 726 2HD2 LEU A 43 2.687 20.751 -6.895 1.00 0.00 H ATOM 727 3HD2 LEU A 43 2.834 21.749 -5.430 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE nods_bigger.blueprint.34_try70_pass_20160925124441_0001_0001.pdb label fa_atr fa_rep fa_sol fa_intra_rep fa_intra_sol_xover4 lk_ball_wtd fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun p_aa_pp yhh_planarity ref rama_prepro total weights 1 0.55 1 0.005 1 1 1 1.25 1 1 1 1 1.25 0.4 0.7 0.6 0.625 1 0.45 NA pose -255.019 30.2278 164.44 0.49632 10.2011 -3.46587 -91.2555 0 -27.4142 -2.896 -11.1386 -9.84716 0 3.35269 62.9234 -9.91563 0 -4.15071 -13.9179 -157.38 ASP:NtermProteinFull_1 -3.48629 0.27643 5.28183 0.00502 0.35254 0.13624 -3.86734 0 0 0 -1.17779 0 0 0.15909 2.98755 0 0 -2.14574 0 -1.47845 GLU_2 -3.57076 0.20873 3.89006 0.00631 0.27238 -0.21901 -2.26799 0 0 0 -0.5691 0 0 0.01641 2.53051 -0.26367 0 -2.72453 -0.28506 -2.97572 GLU_3 -6.08668 0.68403 6.24002 0.0063 0.66061 0.12076 -4.43217 0 0 0 -0.91187 -0.9159 0 -0.04553 3.32601 -0.29376 0 -2.72453 -0.58112 -4.95383 GLU_4 -4.81585 0.33888 5.64431 0.00603 0.27191 0.12614 -2.62058 0 0 0 -0.60868 0 0 0.29677 3.02197 -0.22878 0 -2.72453 -0.54912 -1.84152 GLU_5 -4.68762 0.29213 4.68172 0.00584 0.25803 -0.11916 -1.58686 0 0 0 0 0 0 0.04746 2.55489 -0.27551 0 -2.72453 -0.53707 -2.09067 ALA_6 -6.8513 1.0476 3.0373 0.00136 0 -0.165 -1.84591 0 0 0 0 0 0 0.15273 0 -0.26726 0 1.32468 -0.5237 -4.0895 ILE_7 -8.51329 1.15682 2.70047 0.04299 0.11445 -0.01078 -1.93967 0 0 0 0 0 0 -0.03484 1.44363 -0.3059 0 2.30374 -0.27858 -3.32096 LYS_8 -5.65149 0.39374 5.92913 0.00843 0.17042 0.02335 -3.78051 0 0 0 0 -0.69218 0 0.03885 1.92653 -0.03417 0 -0.71458 -0.28614 -2.66861 GLN_9 -6.94369 0.58798 5.23531 0.0058 0.19647 -0.00896 -2.85316 0 0 0 0 -0.82803 0 0.00979 3.0749 0.11584 0 -1.45095 -0.27093 -3.12963 VAL_10 -9.25962 1.9131 1.56693 0.01944 0.05413 -0.21554 -1.85055 0 0 0 0 0 0 -0.02692 -0.01383 -0.25967 0 2.64269 -0.13523 -5.56506 ALA_11 -6.12646 0.49199 3.63151 0.00136 0 0.0584 -2.07168 0 0 0 0 0 0 0.03303 0 -0.32357 0 1.32468 -0.29148 -3.27223 LYS_12 -3.7653 0.24557 3.58822 0.00719 0.11643 -0.2784 -0.62859 0 0 0 0 0 0 -0.0279 1.00703 -0.07315 0 -0.71458 -0.34959 -0.87307 LEU_13 -6.62428 0.61369 2.04512 0.01495 0.07301 -0.40653 -0.3786 0 0 0 0 0 0 -0.01044 0.48488 -0.25572 0 1.66147 -0.3039 -3.08636 LEU_14 -6.38925 0.92784 0.81962 0.01802 0.09209 -0.2841 -0.80101 0 0 0 0 0 0 -0.03286 0.06706 -0.17706 0 1.66147 -0.31765 -4.41583 ASN_15 -2.53072 0.33388 2.56436 0.0099 0.72592 -0.14949 -0.42479 0 0 0 0 0 0 -0.06328 1.2779 -0.99586 0 -1.34026 -0.42585 -1.01829 ILE_16 -6.86004 1.08442 2.05391 0.02796 0.08963 -0.17209 -0.78564 0 0 0 0 0 0 -0.01818 0.19223 -0.16499 0 2.30374 -0.21028 -2.45933 ASP_17 -5.19184 0.54554 5.45559 0.00283 0.36416 0.13963 -3.59171 0 0 0 -1.86404 0 0 0.02409 3.48783 0.09644 0 -2.14574 -0.15692 -2.83413 GLU_18 -5.40439 0.48564 5.04108 0.00589 0.26734 0.00259 -3.53184 0 0 0 0 -0.69218 0 0.00952 2.60942 -0.33878 0 -2.72453 -0.50978 -4.78001 GLU_19 -4.71159 0.32196 5.91587 0.0079 0.81554 0.12745 -3.6233 0 0 0 -0.87121 -0.74441 0 0.27449 2.68879 -0.33438 0 -2.72453 -0.60774 -3.46515 GLN_20 -6.1052 0.48733 4.69534 0.006 0.1825 -0.19081 -2.18951 0 0 0 -0.99284 0 0 0.39449 2.73275 -0.2407 0 -1.45095 -0.51811 -3.1897 VAL_21 -9.79009 2.48587 2.05413 0.01919 0.05271 0.13666 -1.88884 0 0 0 0 0 0 -0.04935 -0.014 -0.30314 0 2.64269 -0.29032 -4.94447 LYS_22 -6.75414 0.41529 6.09637 0.00747 0.12352 0.08243 -3.86332 0 0 0 0 -0.74441 0 0.13239 1.21442 -0.05669 0 -0.71458 -0.27356 -4.33482 GLU_23 -5.82977 0.49293 6.68921 0.00724 0.7639 -0.13253 -3.95985 0 0 0 0 -0.57034 0 0.08698 2.85692 -0.27161 0 -2.72453 -0.49177 -3.08322 LEU_24 -7.40364 0.67638 2.45833 0.02201 0.19182 -0.21906 -1.4505 0 0 0 0 0 0 0.2865 1.06688 -0.28096 0 1.66147 -0.43971 -3.43048 VAL_25 -8.25533 1.49441 2.87191 0.02018 0.0532 0.03752 -2.11955 0 0 0 0 0 0 -0.00303 0.00573 -0.18639 0 2.64269 -0.16885 -3.6075 LYS_26 -5.04132 0.30907 5.88321 0.01246 0.21139 -0.23188 -3.1054 0 0 0 0 -0.57034 0 0.1846 2.42038 0.01975 0 -0.71458 -0.12063 -0.74329 LYS_27 -3.84661 0.33702 3.49524 0.00711 0.11775 -0.30879 -0.97234 0 0 0 0 0 0 -0.05501 1.02677 -0.05314 0 -0.71458 -0.39538 -1.36195 LEU_28 -5.70969 0.95644 1.37291 0.01858 0.09791 -0.47924 -0.7543 0 0 0 0 0 0 -0.06064 0.09609 -0.15078 0 1.66147 -0.55081 -3.50205 ASN_29 -2.83435 0.39861 2.91641 0.00688 0.31721 -0.54562 -0.80595 0 0 0 0 0 0 -0.06659 1.67625 -1.01916 0 -1.34026 -0.53703 -1.8336 VAL_30 -6.01182 0.97175 1.61149 0.01761 0.04525 -0.02095 -1.16415 0 0 0 0 0 0 1.31929 0.01483 -0.46393 0 2.64269 -0.37213 -1.41007 SER_31 -5.09981 0.34477 5.66147 0.00151 0.06815 0.35649 -3.60299 0 0 0 -1.61558 -0.4851 0 -0.01174 0.12402 -0.39753 0 -0.28969 -0.3432 -5.28925 ALA_32 -5.93499 0.85983 2.36387 0.00136 0 -0.04184 -1.63279 0 0 0 -0.91187 0 0 -0.03585 0 -0.25517 0 1.32468 -0.46417 -4.72696 GLN_33 -5.6463 0.4517 5.03336 0.00575 0.22398 -0.15993 -1.92822 0 0 0 0 -0.9159 0 0.18622 3.14174 -0.11296 0 -1.45095 -0.4004 -1.5719 GLU_34 -5.4936 0.39156 5.95658 0.00527 0.27014 0.10911 -3.54689 0 0 0 -1.61558 -0.4851 0 0.05161 3.6 -0.35111 0 -2.72453 -0.49794 -4.33051 LEU_35 -10.1742 2.08152 1.83749 0.0209 0.19314 -0.09881 -1.93963 0 0 0 0 0 0 0.17399 0.87855 -0.25174 0 1.66147 -0.45221 -6.06957 VAL_36 -8.08876 1.27139 3.33081 0.02113 0.05254 -0.00224 -1.90129 0 0 0 0 0 0 0.10417 0.1164 -0.06452 0 2.64269 -0.00307 -2.52075 GLU_37 -5.17147 0.28479 5.81528 0.00884 0.34403 0.17538 -3.02218 0 0 0 0 -0.68762 0 -0.01377 2.59907 -0.02036 0 -2.72453 0.02297 -2.38957 TRP_38 -8.51837 0.82926 3.50547 0.01998 0.36529 -0.19194 -2.14203 0 0 0 0 0 0 -0.00226 1.42533 -0.32552 0 2.26099 -0.20378 -2.97758 VAL_39 -8.67234 1.43815 1.98457 0.02031 0.05392 -0.23059 -2.01106 0 0 0 0 0 0 -0.05145 0.0127 -0.28462 0 2.64269 -0.18765 -5.28539 ARG_40 -5.86788 0.46108 4.00047 0.0142 0.33768 -0.03864 -1.26086 0 0 0 0 -0.82803 0 -0.06144 2.03368 -0.1777 0 -0.09474 -0.36093 -1.84311 LYS_41 -3.76258 0.21092 4.53893 0.00724 0.12336 0.15174 -2.47976 0 0 0 0 -0.68762 0 -0.03931 1.12594 -0.17665 0 -0.71458 -0.38079 -2.08317 HIS_D_42 -4.26885 0.36891 3.09232 0.00435 0.64819 -0.21618 -0.50811 0 0 0 0 0 0 0.08063 1.69707 -0.11107 0 -0.30065 0.01243 0.49905 LEU:CtermProteinFull_43 -3.2677 0.25883 1.85205 0.01722 0.46845 -0.11162 -0.12403 0 0 0 0 0 0 0 0.40457 0 0 1.66147 0.11926 1.27851 #END_POSE_ENERGIES_TABLE nods_bigger.blueprint.34_try70_pass_20160925124441_0001_0001.pdb AlaCount 3 bb -0.0673332 buried_minus_exposed 3637.94 buried_np 5330.97 buried_over_exposed 3.14876 cavity_volume 0 contact_all 284 contact_core_SASA 284 contact_core_SCN 142 degree 10.1628 dslf_quality_check 0 entropy 0 exposed_hydrophobics 1693.03 exposed_polars 1563.61 exposed_total 3256.64 fxn_exposed_is_np 0.51987 helix_sc 0.809724 holes -0.0169008 loop_sc 0.808054 mean_dslf 0 mismatch_probability 0.0945676 one_core_each 1 pack 0.700792 percent_core_SASA 0.139502 percent_core_SCN 0.139502 res_count_core_SASA 6 res_count_core_SCN 6 ss_contributes_core 1 ss_sc 0.809304 two_core_each 0.666667 unsat_hbond 5 unsat_hbond2 2