Spaces:
Runtime error
Runtime error
File size: 173,502 Bytes
00aa807 |
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805 806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 821 822 823 824 825 826 827 828 829 830 831 832 833 834 835 836 837 838 839 840 841 842 843 844 845 846 847 848 849 850 851 852 853 854 855 856 857 858 859 860 861 862 863 864 865 866 867 868 869 870 871 872 873 874 875 876 877 878 879 880 881 882 883 884 885 886 887 888 889 890 891 892 893 894 895 896 897 898 899 900 901 902 903 904 905 906 907 908 909 910 911 912 913 914 915 916 917 918 919 920 921 922 923 924 925 926 927 928 929 930 931 932 933 934 935 936 937 938 939 940 941 942 943 944 945 946 947 948 949 950 951 952 953 954 955 956 957 958 959 960 961 962 963 964 965 966 967 968 969 970 971 972 973 974 975 976 977 978 979 980 981 982 983 984 985 986 987 988 989 990 991 992 993 994 995 996 997 998 999 1000 1001 1002 1003 1004 1005 1006 1007 1008 1009 1010 1011 1012 1013 1014 1015 1016 1017 1018 1019 1020 1021 1022 1023 1024 1025 1026 1027 1028 1029 1030 1031 1032 1033 1034 1035 1036 1037 1038 1039 1040 1041 1042 1043 1044 1045 1046 1047 1048 1049 1050 1051 1052 1053 1054 1055 1056 1057 1058 1059 1060 1061 1062 1063 1064 1065 1066 1067 1068 1069 1070 1071 1072 1073 1074 1075 1076 1077 1078 1079 1080 1081 1082 1083 1084 1085 1086 1087 1088 1089 1090 1091 1092 1093 1094 1095 1096 1097 1098 1099 1100 1101 1102 1103 1104 1105 1106 1107 1108 1109 1110 1111 1112 1113 1114 1115 1116 1117 1118 1119 1120 1121 1122 1123 1124 1125 1126 1127 1128 1129 1130 1131 1132 1133 1134 1135 1136 1137 1138 1139 1140 1141 1142 1143 1144 1145 1146 1147 1148 1149 1150 1151 1152 1153 1154 1155 1156 1157 1158 1159 1160 1161 1162 1163 1164 1165 1166 1167 1168 1169 1170 1171 1172 1173 1174 1175 1176 1177 1178 1179 1180 1181 1182 1183 1184 1185 1186 1187 1188 1189 1190 1191 1192 1193 1194 1195 1196 1197 1198 1199 1200 1201 1202 1203 1204 1205 1206 1207 1208 1209 1210 1211 1212 1213 1214 1215 1216 1217 1218 1219 1220 1221 1222 1223 1224 1225 1226 1227 1228 1229 1230 1231 1232 1233 1234 1235 1236 1237 1238 1239 1240 1241 1242 1243 1244 1245 1246 1247 1248 1249 1250 1251 1252 1253 1254 1255 1256 1257 1258 1259 1260 1261 1262 1263 1264 1265 1266 1267 1268 1269 1270 1271 1272 1273 1274 1275 1276 1277 1278 1279 1280 1281 1282 1283 1284 1285 1286 1287 1288 1289 1290 1291 1292 1293 1294 1295 1296 1297 1298 1299 1300 1301 1302 1303 1304 1305 1306 1307 1308 1309 1310 1311 1312 1313 1314 1315 1316 1317 1318 1319 1320 1321 1322 1323 1324 1325 1326 1327 1328 1329 1330 1331 1332 1333 1334 1335 1336 1337 1338 1339 1340 1341 1342 1343 1344 1345 1346 1347 1348 1349 1350 1351 1352 1353 1354 1355 1356 1357 1358 1359 1360 1361 1362 1363 1364 1365 1366 1367 1368 1369 1370 1371 1372 1373 1374 1375 1376 1377 1378 1379 1380 1381 1382 1383 1384 1385 1386 1387 1388 1389 1390 1391 1392 1393 1394 1395 1396 1397 1398 1399 1400 1401 1402 1403 1404 1405 1406 1407 1408 1409 1410 1411 1412 1413 1414 1415 1416 1417 1418 1419 1420 1421 1422 1423 1424 1425 1426 1427 1428 1429 1430 1431 1432 1433 1434 1435 1436 1437 1438 1439 1440 1441 1442 1443 1444 1445 1446 1447 1448 1449 1450 1451 1452 1453 1454 1455 1456 1457 1458 1459 1460 1461 1462 1463 1464 1465 1466 1467 1468 1469 1470 1471 1472 1473 1474 1475 1476 1477 1478 1479 1480 1481 1482 1483 1484 1485 1486 1487 1488 1489 1490 1491 1492 1493 1494 1495 1496 1497 1498 1499 1500 1501 1502 1503 1504 1505 1506 1507 1508 1509 1510 1511 1512 1513 1514 1515 1516 1517 1518 1519 1520 1521 1522 1523 1524 1525 1526 1527 1528 1529 1530 1531 1532 1533 1534 1535 1536 1537 1538 1539 1540 1541 1542 1543 1544 1545 1546 1547 1548 1549 1550 1551 1552 1553 1554 1555 1556 1557 1558 1559 1560 1561 1562 1563 1564 1565 1566 1567 1568 1569 1570 1571 1572 1573 1574 1575 1576 1577 1578 1579 1580 1581 1582 1583 1584 1585 1586 1587 1588 1589 1590 1591 1592 1593 1594 1595 1596 1597 1598 1599 1600 1601 1602 1603 1604 1605 1606 1607 1608 1609 1610 1611 1612 1613 1614 1615 1616 1617 1618 1619 1620 1621 1622 1623 1624 1625 1626 1627 1628 1629 1630 1631 1632 1633 1634 1635 1636 1637 1638 1639 1640 1641 1642 1643 1644 1645 1646 1647 1648 1649 1650 1651 1652 1653 1654 1655 1656 1657 1658 1659 1660 1661 1662 1663 1664 1665 1666 1667 1668 1669 1670 1671 1672 1673 1674 1675 1676 1677 1678 1679 1680 1681 1682 1683 1684 1685 1686 1687 1688 1689 1690 1691 1692 1693 1694 1695 1696 1697 1698 1699 1700 1701 1702 1703 1704 1705 1706 1707 1708 1709 1710 1711 1712 1713 1714 1715 1716 1717 1718 1719 1720 1721 1722 1723 1724 1725 1726 1727 1728 1729 1730 1731 1732 1733 1734 1735 1736 1737 1738 1739 1740 1741 1742 1743 1744 1745 1746 1747 1748 1749 1750 1751 1752 1753 1754 1755 1756 1757 1758 1759 1760 1761 1762 1763 1764 1765 1766 1767 1768 1769 1770 1771 1772 1773 1774 1775 1776 1777 1778 1779 1780 1781 1782 1783 1784 1785 1786 1787 1788 1789 1790 1791 1792 1793 1794 1795 1796 1797 1798 1799 1800 1801 1802 1803 1804 1805 1806 1807 1808 1809 1810 1811 1812 1813 1814 1815 1816 1817 1818 1819 1820 1821 1822 1823 1824 1825 1826 1827 1828 1829 1830 1831 1832 1833 1834 1835 1836 1837 1838 1839 1840 1841 1842 1843 1844 1845 1846 1847 1848 1849 1850 1851 1852 1853 1854 1855 1856 1857 1858 1859 1860 1861 1862 1863 1864 1865 1866 1867 1868 1869 1870 1871 1872 1873 1874 1875 1876 1877 1878 1879 1880 1881 1882 1883 1884 1885 1886 1887 1888 1889 1890 1891 1892 1893 1894 1895 1896 1897 1898 1899 1900 1901 1902 1903 1904 1905 1906 1907 1908 1909 1910 1911 1912 1913 1914 1915 1916 1917 1918 1919 1920 1921 1922 1923 1924 1925 1926 1927 1928 1929 1930 1931 1932 1933 1934 1935 1936 1937 1938 1939 1940 1941 1942 1943 1944 1945 1946 1947 1948 1949 1950 1951 1952 1953 1954 1955 1956 1957 1958 1959 1960 1961 1962 1963 1964 1965 1966 1967 1968 1969 1970 1971 1972 1973 1974 1975 1976 1977 1978 1979 1980 1981 1982 1983 1984 1985 1986 1987 1988 1989 1990 1991 1992 1993 1994 1995 1996 1997 1998 1999 2000 2001 2002 2003 2004 2005 2006 2007 2008 2009 2010 2011 2012 2013 2014 2015 2016 2017 2018 2019 2020 2021 2022 2023 2024 2025 2026 2027 2028 2029 2030 2031 2032 2033 2034 2035 2036 2037 2038 2039 2040 2041 2042 2043 2044 2045 2046 2047 2048 2049 2050 2051 2052 2053 2054 2055 2056 2057 2058 2059 2060 2061 2062 2063 2064 2065 2066 2067 2068 2069 2070 2071 2072 2073 2074 2075 2076 2077 2078 2079 2080 2081 2082 2083 2084 2085 2086 2087 2088 2089 2090 2091 2092 2093 2094 2095 2096 2097 2098 2099 2100 2101 2102 2103 2104 2105 2106 2107 2108 2109 2110 2111 2112 2113 2114 2115 2116 2117 2118 2119 2120 2121 2122 2123 2124 2125 2126 2127 2128 2129 2130 2131 2132 2133 2134 2135 2136 2137 2138 2139 2140 2141 2142 2143 |
HEADER DE NOVO PROTEIN 15-OCT-18 6MRR
TITLE DE NOVO DESIGNED PROTEIN FOLDIT1
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: FOLDIT1;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;
SOURCE 3 ORGANISM_TAXID: 32630;
SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562
KEYWDS DE NOVO PROTEIN, FOLDIT
EXPDTA X-RAY DIFFRACTION
AUTHOR B.KOEPNICK,M.J.BICK,R.D.ESTEP,S.KLEINFELTER,L.WEI,D.BAKER
REVDAT 4 20-NOV-19 6MRR 1 REMARK
REVDAT 3 26-JUN-19 6MRR 1 JRNL
REVDAT 2 19-JUN-19 6MRR 1 JRNL
REVDAT 1 12-JUN-19 6MRR 0
JRNL AUTH B.KOEPNICK,J.FLATTEN,T.HUSAIN,A.FORD,D.A.SILVA,M.J.BICK,
JRNL AUTH 2 A.BAUER,G.LIU,Y.ISHIDA,A.BOYKOV,R.D.ESTEP,S.KLEINFELTER,
JRNL AUTH 3 T.NORGARD-SOLANO,L.WEI,F.PLAYERS,G.T.MONTELIONE,F.DIMAIO,
JRNL AUTH 4 Z.POPOVIC,F.KHATIB,S.COOPER,D.BAKER
JRNL TITL DE NOVO PROTEIN DESIGN BY CITIZEN SCIENTISTS.
JRNL REF NATURE V. 570 390 2019
JRNL REFN ESSN 1476-4687
JRNL PMID 31168091
JRNL DOI 10.1038/S41586-019-1274-4
REMARK 2
REMARK 2 RESOLUTION. 1.18 ANGSTROMS.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : PHENIX (DEV_3112: ???)
REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN
REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE,
REMARK 3 : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER,
REMARK 3 : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY,
REMARK 3 : REETAL PAI,RANDY READ,JANE RICHARDSON,
REMARK 3 : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI,
REMARK 3 : NICHOLAS SAUTER,JACOB SMITH,LAURENT
REMARK 3 : STORONI,TOM TERWILLIGER,PETER ZWART
REMARK 3
REMARK 3 REFINEMENT TARGET : NULL
REMARK 3
REMARK 3 DATA USED IN REFINEMENT.
REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.18
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 28.92
REMARK 3 MIN(FOBS/SIGMA_FOBS) : 0.000
REMARK 3 COMPLETENESS FOR RANGE (%) : 92.7
REMARK 3 NUMBER OF REFLECTIONS : 18279
REMARK 3
REMARK 3 FIT TO DATA USED IN REFINEMENT.
REMARK 3 R VALUE (WORKING + TEST SET) : 0.150
REMARK 3 R VALUE (WORKING SET) : 0.146
REMARK 3 FREE R VALUE : 0.182
REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.010
REMARK 3 FREE R VALUE TEST SET COUNT : 1829
REMARK 3
REMARK 3 FIT TO DATA USED IN REFINEMENT (IN BINS).
REMARK 3 BIN RESOLUTION RANGE COMPL. NWORK NFREE RWORK RFREE
REMARK 3 1 28.9244 - 2.7739 0.97 1364 153 0.1719 0.2144
REMARK 3 2 2.7739 - 2.2020 0.96 1315 145 0.1598 0.1838
REMARK 3 3 2.2020 - 1.9237 0.95 1300 145 0.1254 0.1402
REMARK 3 4 1.9237 - 1.7479 0.95 1288 144 0.1409 0.1734
REMARK 3 5 1.7479 - 1.6226 0.94 1280 141 0.1255 0.1625
REMARK 3 6 1.6226 - 1.5269 0.94 1290 144 0.1242 0.1492
REMARK 3 7 1.5269 - 1.4505 0.93 1243 137 0.1178 0.1563
REMARK 3 8 1.4505 - 1.3873 0.92 1252 139 0.1232 0.1918
REMARK 3 9 1.3873 - 1.3339 0.92 1237 139 0.1324 0.1737
REMARK 3 10 1.3339 - 1.2879 0.91 1253 141 0.1315 0.1703
REMARK 3 11 1.2879 - 1.2476 0.90 1219 135 0.1369 0.1953
REMARK 3 12 1.2476 - 1.2120 0.88 1189 132 0.1289 0.2107
REMARK 3 13 1.2120 - 1.1801 0.88 1220 134 0.1296 0.1712
REMARK 3
REMARK 3 BULK SOLVENT MODELLING.
REMARK 3 METHOD USED : NULL
REMARK 3 SOLVENT RADIUS : 1.11
REMARK 3 SHRINKAGE RADIUS : 0.90
REMARK 3 K_SOL : NULL
REMARK 3 B_SOL : NULL
REMARK 3
REMARK 3 ERROR ESTIMATES.
REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.080
REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 18.420
REMARK 3
REMARK 3 B VALUES.
REMARK 3 FROM WILSON PLOT (A**2) : NULL
REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL
REMARK 3 OVERALL ANISOTROPIC B VALUE.
REMARK 3 B11 (A**2) : NULL
REMARK 3 B22 (A**2) : NULL
REMARK 3 B33 (A**2) : NULL
REMARK 3 B12 (A**2) : NULL
REMARK 3 B13 (A**2) : NULL
REMARK 3 B23 (A**2) : NULL
REMARK 3
REMARK 3 TWINNING INFORMATION.
REMARK 3 FRACTION: NULL
REMARK 3 OPERATOR: NULL
REMARK 3
REMARK 3 DEVIATIONS FROM IDEAL VALUES.
REMARK 3 RMSD COUNT
REMARK 3 BOND : 0.008 582
REMARK 3 ANGLE : 0.833 781
REMARK 3 CHIRALITY : 0.075 86
REMARK 3 PLANARITY : 0.004 102
REMARK 3 DIHEDRAL : 18.886 232
REMARK 3
REMARK 3 TLS DETAILS
REMARK 3 NUMBER OF TLS GROUPS : NULL
REMARK 3
REMARK 3 NCS DETAILS
REMARK 3 NUMBER OF NCS GROUPS : NULL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 6MRR COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 16-OCT-18.
REMARK 100 THE DEPOSITION ID IS D_1000236328.
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
REMARK 200 DATE OF DATA COLLECTION : 30-APR-17
REMARK 200 TEMPERATURE (KELVIN) : 100
REMARK 200 PH : 7.5
REMARK 200 NUMBER OF CRYSTALS USED : 1
REMARK 200
REMARK 200 SYNCHROTRON (Y/N) : Y
REMARK 200 RADIATION SOURCE : ALS
REMARK 200 BEAMLINE : 5.0.2
REMARK 200 X-RAY GENERATOR MODEL : NULL
REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M
REMARK 200 WAVELENGTH OR RANGE (A) : 1.00000
REMARK 200 MONOCHROMATOR : DOUBLE-CRYSTAL SI(111)
REMARK 200 OPTICS : NULL
REMARK 200
REMARK 200 DETECTOR TYPE : PIXEL
REMARK 200 DETECTOR MANUFACTURER : DECTRIS PILATUS3 6M
REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS JUN 17, 2015
REMARK 200 DATA SCALING SOFTWARE : XDS JUN 17, 2015
REMARK 200
REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 22566
REMARK 200 RESOLUTION RANGE HIGH (A) : 1.070
REMARK 200 RESOLUTION RANGE LOW (A) : 43.580
REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL
REMARK 200
REMARK 200 OVERALL.
REMARK 200 COMPLETENESS FOR RANGE (%) : 85.3
REMARK 200 DATA REDUNDANCY : 3.200
REMARK 200 R MERGE (I) : 0.02600
REMARK 200 R SYM (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 18.9000
REMARK 200
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.07
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.09
REMARK 200 COMPLETENESS FOR SHELL (%) : 32.8
REMARK 200 DATA REDUNDANCY IN SHELL : 2.10
REMARK 200 R MERGE FOR SHELL (I) : 0.17700
REMARK 200 R SYM FOR SHELL (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR SHELL : 2.900
REMARK 200
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT
REMARK 200 SOFTWARE USED: PHASER 2.8.2.
REMARK 200 STARTING MODEL: COMPUTATIONAL DESIGN GENERATED BY FOLDIT SOFTWARE
REMARK 200
REMARK 200 REMARK: NULL
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS (%): 33.77
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.86
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.2 M POTASSIUM CHLORIDE, 0.05 M
REMARK 280 HEPES, PH 7.5, 35% V/V PENTAERYTHRITOL PROPOXYLATE (5/4 PO/OH),
REMARK 280 VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 291.15K
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1
REMARK 290
REMARK 290 SYMOP SYMMETRY
REMARK 290 NNNMMM OPERATOR
REMARK 290 1555 X,Y,Z
REMARK 290 2555 -X,Y+1/2,-Z
REMARK 290
REMARK 290 WHERE NNN -> OPERATOR NUMBER
REMARK 290 MMM -> TRANSLATION VECTOR
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY
REMARK 290 RELATED MOLECULES.
REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 21.79200
REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000
REMARK 290
REMARK 290 REMARK: NULL
REMARK 300
REMARK 300 BIOMOLECULE: 1
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON
REMARK 300 BURIED SURFACE AREA.
REMARK 350
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS
REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.
REMARK 350
REMARK 350 BIOMOLECULE: 1
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC
REMARK 350 SOFTWARE USED: PISA
REMARK 350 TOTAL BURIED SURFACE AREA: 0 ANGSTROM**2
REMARK 350 SURFACE AREA OF THE COMPLEX: 4720 ANGSTROM**2
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: 0.0 KCAL/MOL
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A
REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
REMARK 470
REMARK 470 MISSING ATOM
REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;
REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;
REMARK 470 I=INSERTION CODE):
REMARK 470 M RES CSSEQI ATOMS
REMARK 470 GLU A 11 CD OE1 OE2
REMARK 470 GLU A 43 CD OE1 OE2
REMARK 470 GLU A 51 CD OE1 OE2
REMARK 470 LYS A 55 CD CE NZ
REMARK 470 LYS A 58 CD CE NZ
REMARK 470 LYS A 59 CE NZ
REMARK 470 LYS A 66 CE NZ
REMARK 470 GLU A 68 CG CD OE1 OE2
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT
REMARK 500
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.
REMARK 500
REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE
REMARK 500 HH21 ARG A 47 O HOH A 102 1.55
REMARK 500 O HOH A 113 O HOH A 178 1.85
REMARK 500 O HOH A 112 O HOH A 169 1.97
REMARK 500 O HOH A 104 O HOH A 135 2.04
REMARK 500 OE1 GLU A 15 O HOH A 101 2.10
REMARK 500 NH2 ARG A 47 O HOH A 102 2.14
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: CLOSE CONTACTS
REMARK 500
REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC
REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15
REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A
REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375
REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE
REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS.
REMARK 500
REMARK 500 DISTANCE CUTOFF:
REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS
REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS
REMARK 500
REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE
REMARK 500 O HOH A 168 O HOH A 202 1655 2.19
REMARK 500
REMARK 500 REMARK: NULL
DBREF 6MRR A 1 68 PDB 6MRR 6MRR 1 68
SEQRES 1 A 68 GLY TRP SER THR GLU LEU GLU LYS HIS ARG GLU GLU LEU
SEQRES 2 A 68 LYS GLU PHE LEU LYS LYS GLU GLY ILE THR ASN VAL GLU
SEQRES 3 A 68 ILE ARG ILE ASP ASN GLY ARG LEU GLU VAL ARG VAL GLU
SEQRES 4 A 68 GLY GLY THR GLU ARG LEU LYS ARG PHE LEU GLU GLU LEU
SEQRES 5 A 68 ARG GLN LYS LEU GLU LYS LYS GLY TYR THR VAL ASP ILE
SEQRES 6 A 68 LYS ILE GLU
FORMUL 2 HOH *116(H2 O)
HELIX 1 AA1 SER A 3 GLY A 21 1 19
HELIX 2 AA2 THR A 42 LYS A 59 1 18
SHEET 1 AA1 3 VAL A 25 ASP A 30 0
SHEET 2 AA1 3 ARG A 33 VAL A 38 -1 O GLU A 35 N ARG A 28
SHEET 3 AA1 3 THR A 62 ILE A 67 1 O ASP A 64 N LEU A 34
CRYST1 24.045 43.584 29.276 90.00 99.00 90.00 P 1 21 1 2
ORIGX1 1.000000 0.000000 0.000000 0.00000
ORIGX2 0.000000 1.000000 0.000000 0.00000
ORIGX3 0.000000 0.000000 1.000000 0.00000
SCALE1 0.041589 0.000000 0.006586 0.00000
SCALE2 0.000000 0.022944 0.000000 0.00000
SCALE3 0.000000 0.000000 0.034583 0.00000
ATOM 1 N GLY A 1 -15.113 4.641 12.533 1.00 27.22 N
ANISOU 1 N GLY A 1 3555 3237 3550 -162 451 539 N
ATOM 2 CA GLY A 1 -15.455 3.353 11.854 1.00 28.17 C
ANISOU 2 CA GLY A 1 4001 3362 3341 165 535 294 C
ATOM 3 C GLY A 1 -14.525 3.068 10.696 1.00 27.96 C
ANISOU 3 C GLY A 1 4224 3376 3024 559 219 381 C
ATOM 4 O GLY A 1 -14.897 2.519 9.662 1.00 32.98 O
ANISOU 4 O GLY A 1 4911 4004 3617 662 286 164 O
ATOM 5 H1 GLY A 1 -15.758 4.853 13.108 1.00 32.67 H
ATOM 6 H2 GLY A 1 -14.343 4.550 12.971 1.00 32.67 H
ATOM 7 H3 GLY A 1 -15.033 5.285 11.924 1.00 32.67 H
ATOM 8 HA2 GLY A 1 -15.388 2.624 12.490 1.00 33.81 H
ATOM 9 HA3 GLY A 1 -16.363 3.397 11.517 1.00 33.81 H
ATOM 10 N TRP A 2 -13.275 3.420 10.930 1.00 22.10 N
ANISOU 10 N TRP A 2 3559 2510 2329 576 1223 682 N
ATOM 11 CA TRP A 2 -12.239 3.522 9.924 1.00 17.82 C
ANISOU 11 CA TRP A 2 3554 1697 1521 839 1047 330 C
ATOM 12 C TRP A 2 -11.128 2.581 10.337 1.00 14.37 C
ANISOU 12 C TRP A 2 3084 1326 1049 387 674 156 C
ATOM 13 O TRP A 2 -10.680 2.634 11.485 1.00 15.93 O
ANISOU 13 O TRP A 2 3613 1263 1178 259 752 52 O
ATOM 14 CB TRP A 2 -11.790 4.966 10.017 1.00 17.81 C
ANISOU 14 CB TRP A 2 3867 1479 1420 739 938 220 C
ATOM 15 CG TRP A 2 -10.916 5.383 8.993 1.00 18.71 C
ANISOU 15 CG TRP A 2 3949 1402 1759 159 1170 -147 C
ATOM 16 CD1 TRP A 2 -9.568 5.355 9.031 1.00 21.78 C
ANISOU 16 CD1 TRP A 2 4291 1368 2614 -54 733 -483 C
ATOM 17 CD2 TRP A 2 -11.286 5.937 7.730 1.00 19.76 C
ANISOU 17 CD2 TRP A 2 4315 1392 1802 -306 888 10 C
ATOM 18 NE1 TRP A 2 -9.061 5.845 7.864 1.00 20.71 N
ANISOU 18 NE1 TRP A 2 4359 1424 2086 -270 546 59 N
ATOM 19 CE2 TRP A 2 -10.096 6.225 7.049 1.00 19.92 C
ANISOU 19 CE2 TRP A 2 4177 1450 1943 -368 907 -60 C
ATOM 20 CE3 TRP A 2 -12.509 6.228 7.114 1.00 20.03 C
ANISOU 20 CE3 TRP A 2 4419 1584 1607 -327 895 120 C
ATOM 21 CZ2 TRP A 2 -10.083 6.769 5.768 1.00 19.94 C
ANISOU 21 CZ2 TRP A 2 4223 1773 1582 -557 926 73 C
ATOM 22 CZ3 TRP A 2 -12.496 6.781 5.846 1.00 21.85 C
ANISOU 22 CZ3 TRP A 2 4692 1883 1725 -383 690 160 C
ATOM 23 CH2 TRP A 2 -11.291 7.047 5.189 1.00 20.85 C
ANISOU 23 CH2 TRP A 2 4546 1870 1505 -376 778 203 C
ATOM 24 H TRP A 2 -12.987 3.617 11.716 1.00 26.53 H
ATOM 25 HA TRP A 2 -12.501 3.281 9.022 1.00 21.39 H
ATOM 26 HB2 TRP A 2 -12.575 5.535 9.980 1.00 21.37 H
ATOM 27 HB3 TRP A 2 -11.330 5.091 10.862 1.00 21.37 H
ATOM 28 HD1 TRP A 2 -9.060 5.046 9.747 1.00 26.13 H
ATOM 29 HE1 TRP A 2 -8.226 5.907 7.671 1.00 24.85 H
ATOM 30 HE3 TRP A 2 -13.313 6.052 7.548 1.00 24.04 H
ATOM 31 HZ2 TRP A 2 -9.284 6.937 5.323 1.00 23.94 H
ATOM 32 HZ3 TRP A 2 -13.301 6.980 5.425 1.00 26.22 H
ATOM 33 HH2 TRP A 2 -11.311 7.422 4.338 1.00 25.02 H
ATOM 34 N SER A 3 -10.741 1.675 9.445 1.00 13.84 N
ANISOU 34 N SER A 3 2689 1257 1311 356 447 -71 N
ATOM 35 CA SER A 3 -9.735 0.662 9.740 1.00 12.56 C
ANISOU 35 CA SER A 3 2295 1313 1164 324 190 -181 C
ATOM 36 C SER A 3 -8.423 1.057 9.074 1.00 13.48 C
ANISOU 36 C SER A 3 2247 1445 1429 310 164 -214 C
ATOM 37 O SER A 3 -8.304 0.991 7.855 1.00 11.86 O
ANISOU 37 O SER A 3 2037 1441 1029 232 205 -87 O
ATOM 38 CB SER A 3 -10.200 -0.692 9.213 1.00 13.32 C
ANISOU 38 CB SER A 3 2290 1400 1369 340 367 -45 C
ATOM 39 OG SER A 3 -9.128 -1.616 9.231 1.00 13.71 O
ANISOU 39 OG SER A 3 2413 1421 1376 384 565 84 O
ATOM 40 H SER A 3 -11.055 1.628 8.646 1.00 16.60 H
ATOM 41 HA SER A 3 -9.594 0.615 10.699 1.00 15.07 H
ATOM 42 HB2 SER A 3 -10.916 -1.024 9.776 1.00 15.98 H
ATOM 43 HB3 SER A 3 -10.515 -0.587 8.301 1.00 15.98 H
ATOM 44 HG SER A 3 -9.400 -2.375 8.996 1.00 16.45 H
ATOM 45 N THR A 4 -7.432 1.448 9.871 1.00 13.28 N
ANISOU 45 N THR A 4 2240 1660 1146 362 68 -459 N
ATOM 46 CA THR A 4 -6.128 1.800 9.322 1.00 15.49 C
ANISOU 46 CA THR A 4 2285 1831 1771 333 -165 -657 C
ATOM 47 C THR A 4 -5.594 0.705 8.401 1.00 12.25 C
ANISOU 47 C THR A 4 1839 1635 1182 377 -74 -52 C
ATOM 48 O THR A 4 -5.143 0.977 7.279 1.00 13.31 O
ANISOU 48 O THR A 4 1917 1428 1712 81 -69 -9 O
ATOM 49 CB THR A 4 -5.173 2.076 10.484 1.00 18.96 C
ANISOU 49 CB THR A 4 2458 2311 2434 362 -209 -918 C
ATOM 50 OG1 THR A 4 -5.658 3.206 11.221 1.00 22.30 O
ANISOU 50 OG1 THR A 4 2951 2633 2889 251 -439 -1323 O
ATOM 51 CG2 THR A 4 -3.774 2.328 9.971 1.00 20.18 C
ANISOU 51 CG2 THR A 4 2746 2528 2393 371 -282 -676 C
ATOM 52 H THR A 4 -7.486 1.517 10.727 1.00 15.94 H
ATOM 53 HA THR A 4 -6.201 2.604 8.783 1.00 18.60 H
ATOM 54 HB THR A 4 -5.127 1.309 11.076 1.00 22.75 H
ATOM 55 HG1 THR A 4 -5.167 3.345 11.889 1.00 26.76 H
ATOM 56 HG21 THR A 4 -3.254 2.798 10.642 1.00 24.22 H
ATOM 57 HG22 THR A 4 -3.338 1.486 9.768 1.00 24.22 H
ATOM 58 HG23 THR A 4 -3.808 2.868 9.165 1.00 24.22 H
ATOM 59 N GLU A 5 -5.644 -0.548 8.854 1.00 12.22 N
ANISOU 59 N GLU A 5 1901 1635 1106 386 20 105 N
ATOM 60 CA GLU A 5 -5.074 -1.624 8.054 1.00 12.49 C
ANISOU 60 CA GLU A 5 2084 1533 1129 597 319 325 C
ATOM 61 C GLU A 5 -5.884 -1.859 6.782 1.00 10.43 C
ANISOU 61 C GLU A 5 1813 1180 970 338 247 178 C
ATOM 62 O GLU A 5 -5.323 -1.971 5.685 1.00 10.52 O
ANISOU 62 O GLU A 5 1713 1286 998 175 232 118 O
ATOM 63 CB GLU A 5 -4.980 -2.908 8.881 1.00 17.22 C
ANISOU 63 CB GLU A 5 2684 2031 1828 871 679 607 C
ATOM 64 CG GLU A 5 -4.395 -4.075 8.113 1.00 21.68 C
ANISOU 64 CG GLU A 5 3057 2643 2537 833 291 269 C
ATOM 65 CD GLU A 5 -2.893 -3.969 7.921 1.00 26.74 C
ANISOU 65 CD GLU A 5 3608 3192 3360 485 557 -476 C
ATOM 66 OE1 GLU A 5 -2.273 -3.034 8.481 1.00 28.97 O
ANISOU 66 OE1 GLU A 5 3524 3409 4076 38 333 -674 O
ATOM 67 OE2 GLU A 5 -2.331 -4.830 7.211 1.00 27.07 O
ANISOU 67 OE2 GLU A 5 3689 3338 3258 788 852 -582 O
ATOM 68 H GLU A 5 -5.993 -0.794 9.601 1.00 14.66 H
ATOM 69 HA GLU A 5 -4.175 -1.371 7.793 1.00 14.99 H
ATOM 70 HB2 GLU A 5 -4.413 -2.743 9.651 1.00 20.67 H
ATOM 71 HB3 GLU A 5 -5.870 -3.159 9.173 1.00 20.67 H
ATOM 72 HG2 GLU A 5 -4.577 -4.895 8.599 1.00 26.02 H
ATOM 73 HG3 GLU A 5 -4.806 -4.112 7.235 1.00 26.02 H
ATOM 74 N LEU A 6 -7.205 -1.960 6.899 1.00 10.13 N
ANISOU 74 N LEU A 6 1784 1321 743 458 382 106 N
ATOM 75 CA LEU A 6 -7.991 -2.219 5.697 1.00 9.72 C
ANISOU 75 CA LEU A 6 1682 1203 808 336 279 -29 C
ATOM 76 C LEU A 6 -7.943 -1.043 4.732 1.00 9.72 C
ANISOU 76 C LEU A 6 1719 1120 855 243 112 28 C
ATOM 77 O LEU A 6 -8.000 -1.245 3.513 1.00 9.94 O
ANISOU 77 O LEU A 6 1979 1117 682 75 193 14 O
ATOM 78 CB LEU A 6 -9.418 -2.631 6.037 1.00 10.58 C
ANISOU 78 CB LEU A 6 1782 1192 1044 309 251 92 C
ATOM 79 CG LEU A 6 -9.549 -4.001 6.711 1.00 10.74 C
ANISOU 79 CG LEU A 6 1880 1017 1183 116 278 213 C
ATOM 80 CD1 LEU A 6 -11.017 -4.241 7.025 1.00 12.07 C
ANISOU 80 CD1 LEU A 6 2037 1160 1388 -69 352 191 C
ATOM 81 CD2 LEU A 6 -8.985 -5.104 5.858 1.00 11.62 C
ANISOU 81 CD2 LEU A 6 2344 846 1224 -55 351 73 C
ATOM 82 H LEU A 6 -7.654 -1.886 7.629 1.00 12.16 H
ATOM 83 HA LEU A 6 -7.606 -2.981 5.236 1.00 11.67 H
ATOM 84 HB2 LEU A 6 -9.792 -1.971 6.641 1.00 12.69 H
ATOM 85 HB3 LEU A 6 -9.933 -2.660 5.216 1.00 12.69 H
ATOM 86 HG LEU A 6 -9.035 -4.014 7.534 1.00 12.89 H
ATOM 87 HD11 LEU A 6 -11.107 -5.094 7.478 1.00 14.48 H
ATOM 88 HD12 LEU A 6 -11.338 -3.527 7.597 1.00 14.48 H
ATOM 89 HD13 LEU A 6 -11.519 -4.252 6.195 1.00 14.48 H
ATOM 90 HD21 LEU A 6 -9.263 -5.959 6.222 1.00 13.94 H
ATOM 91 HD22 LEU A 6 -9.319 -5.005 4.953 1.00 13.94 H
ATOM 92 HD23 LEU A 6 -8.017 -5.042 5.861 1.00 13.94 H
ATOM 93 N GLU A 7 -7.793 0.183 5.237 1.00 10.13 N
ANISOU 93 N GLU A 7 1889 1180 779 200 62 -91 N
ATOM 94 CA GLU A 7 -7.623 1.317 4.337 1.00 11.17 C
ANISOU 94 CA GLU A 7 2238 1102 903 269 -112 -53 C
ATOM 95 C GLU A 7 -6.325 1.210 3.548 1.00 10.11 C
ANISOU 95 C GLU A 7 1906 966 971 129 -82 87 C
ATOM 96 O GLU A 7 -6.273 1.603 2.377 1.00 11.22 O
ANISOU 96 O GLU A 7 2073 1133 1059 241 31 168 O
ATOM 97 CB GLU A 7 -7.670 2.623 5.119 1.00 13.04 C
ANISOU 97 CB GLU A 7 2861 1310 785 525 -14 -67 C
ATOM 98 CG GLU A 7 -9.062 2.972 5.609 1.00 15.43 C
ANISOU 98 CG GLU A 7 3344 1560 959 926 -143 8 C
ATOM 99 CD GLU A 7 -9.986 3.454 4.500 1.00 17.82 C
ANISOU 99 CD GLU A 7 3681 1953 1136 1139 298 50 C
ATOM 100 OE1 GLU A 7 -9.513 4.078 3.516 1.00 19.66 O
ANISOU 100 OE1 GLU A 7 3534 2595 1341 1743 440 358 O
ATOM 101 OE2 GLU A 7 -11.206 3.209 4.625 1.00 18.76 O
ANISOU 101 OE2 GLU A 7 3936 1659 1532 591 -641 -76 O
ATOM 102 H GLU A 7 -7.786 0.380 6.075 1.00 12.16 H
ATOM 103 HA GLU A 7 -8.358 1.321 3.704 1.00 13.40 H
ATOM 104 HB2 GLU A 7 -7.091 2.547 5.894 1.00 15.65 H
ATOM 105 HB3 GLU A 7 -7.365 3.344 4.546 1.00 15.65 H
ATOM 106 HG2 GLU A 7 -9.461 2.183 6.007 1.00 18.52 H
ATOM 107 HG3 GLU A 7 -8.994 3.679 6.269 1.00 18.52 H
ATOM 108 N LYS A 8 -5.260 0.685 4.162 1.00 10.27 N
ANISOU 108 N LYS A 8 1907 1058 937 86 -59 20 N
ATOM 109 CA LYS A 8 -4.025 0.475 3.411 1.00 12.10 C
ANISOU 109 CA LYS A 8 2164 1220 1215 -187 -133 258 C
ATOM 110 C LYS A 8 -4.256 -0.489 2.257 1.00 10.95 C
ANISOU 110 C LYS A 8 1877 1030 1253 69 -83 208 C
ATOM 111 O LYS A 8 -3.814 -0.247 1.129 1.00 11.75 O
ANISOU 111 O LYS A 8 1764 1283 1417 -148 -56 264 O
ATOM 112 CB LYS A 8 -2.920 -0.042 4.333 1.00 13.71 C
ANISOU 112 CB LYS A 8 2186 1675 1347 -159 -269 152 C
ATOM 113 CG LYS A 8 -1.597 -0.271 3.611 1.00 16.48 C
ANISOU 113 CG LYS A 8 2089 2105 2069 162 -131 -63 C
ATOM 114 CD LYS A 8 -0.494 -0.731 4.541 1.00 21.46 C
ANISOU 114 CD LYS A 8 2440 2454 3261 251 -396 -45 C
ATOM 115 CE LYS A 8 -0.767 -2.114 5.082 1.00 24.01 C
ANISOU 115 CE LYS A 8 2583 2757 3782 193 -276 213 C
ATOM 116 NZ LYS A 8 0.424 -2.653 5.793 1.00 26.07 N
ANISOU 116 NZ LYS A 8 2914 3029 3964 72 -73 453 N
ATOM 117 H LYS A 8 -5.227 0.448 4.988 1.00 12.33 H
ATOM 118 HA LYS A 8 -3.730 1.325 3.048 1.00 14.53 H
ATOM 119 HB2 LYS A 8 -2.768 0.608 5.037 1.00 16.45 H
ATOM 120 HB3 LYS A 8 -3.201 -0.887 4.717 1.00 16.45 H
ATOM 121 HG2 LYS A 8 -1.720 -0.953 2.932 1.00 19.78 H
ATOM 122 HG3 LYS A 8 -1.313 0.560 3.198 1.00 19.78 H
ATOM 123 HD2 LYS A 8 0.346 -0.753 4.057 1.00 25.76 H
ATOM 124 HD3 LYS A 8 -0.430 -0.118 5.290 1.00 25.76 H
ATOM 125 HE2 LYS A 8 -1.507 -2.075 5.708 1.00 28.81 H
ATOM 126 HE3 LYS A 8 -0.983 -2.710 4.348 1.00 28.81 H
ATOM 127 HZ1 LYS A 8 0.238 -3.454 6.133 1.00 31.29 H
ATOM 128 HZ2 LYS A 8 1.107 -2.730 5.228 1.00 31.29 H
ATOM 129 HZ3 LYS A 8 0.657 -2.105 6.455 1.00 31.29 H
ATOM 130 N HIS A 9 -4.958 -1.588 2.516 1.00 10.08 N
ANISOU 130 N HIS A 9 1785 827 1219 47 197 201 N
ATOM 131 CA HIS A 9 -5.233 -2.549 1.457 1.00 10.07 C
ANISOU 131 CA HIS A 9 1617 999 1212 92 42 30 C
ATOM 132 C HIS A 9 -6.223 -2.003 0.447 1.00 8.89 C
ANISOU 132 C HIS A 9 1438 943 997 90 68 65 C
ATOM 133 O HIS A 9 -6.118 -2.310 -0.740 1.00 10.04 O
ANISOU 133 O HIS A 9 1798 1122 896 129 257 -88 O
ATOM 134 CB HIS A 9 -5.708 -3.861 2.059 1.00 11.95 C
ANISOU 134 CB HIS A 9 2006 975 1560 109 149 -18 C
ATOM 135 CG HIS A 9 -4.662 -4.514 2.890 1.00 13.02 C
ANISOU 135 CG HIS A 9 1944 1228 1774 412 -105 50 C
ATOM 136 ND1 HIS A 9 -3.620 -5.232 2.346 1.00 17.20 N
ANISOU 136 ND1 HIS A 9 2016 1821 2698 706 107 287 N
ATOM 137 CD2 HIS A 9 -4.469 -4.523 4.227 1.00 14.25 C
ANISOU 137 CD2 HIS A 9 2226 1463 1725 420 -96 -153 C
ATOM 138 CE1 HIS A 9 -2.842 -5.673 3.318 1.00 19.35 C
ANISOU 138 CE1 HIS A 9 2534 1996 2823 941 -299 500 C
ATOM 139 NE2 HIS A 9 -3.332 -5.249 4.468 1.00 19.06 N
ANISOU 139 NE2 HIS A 9 2758 1817 2667 576 -472 106 N
ATOM 140 H HIS A 9 -5.281 -1.799 3.284 1.00 12.10 H
ATOM 141 HA HIS A 9 -4.414 -2.736 0.973 1.00 12.09 H
ATOM 142 HB2 HIS A 9 -6.478 -3.691 2.623 1.00 14.34 H
ATOM 143 HB3 HIS A 9 -5.949 -4.470 1.343 1.00 14.34 H
ATOM 144 HD2 HIS A 9 -5.008 -4.113 4.865 1.00 17.10 H
ATOM 145 HE1 HIS A 9 -2.079 -6.193 3.210 1.00 23.22 H
ATOM 146 HE2 HIS A 9 -2.992 -5.404 5.243 1.00 22.87 H
ATOM 147 N ARG A 10 -7.177 -1.190 0.885 1.00 9.53 N
ANISOU 147 N ARG A 10 1616 1108 899 242 237 43 N
ATOM 148 CA ARG A 10 -8.065 -0.527 -0.059 1.00 9.72 C
ANISOU 148 CA ARG A 10 1676 1121 896 270 203 135 C
ATOM 149 C ARG A 10 -7.273 0.337 -1.032 1.00 9.67 C
ANISOU 149 C ARG A 10 1694 1112 870 227 138 5 C
ATOM 150 O ARG A 10 -7.536 0.331 -2.241 1.00 10.33 O
ANISOU 150 O ARG A 10 1674 1274 979 200 245 34 O
ATOM 151 CB ARG A 10 -9.054 0.339 0.710 1.00 9.77 C
ANISOU 151 CB ARG A 10 1534 1176 1002 222 127 99 C
ATOM 152 CG ARG A 10 -10.175 0.920 -0.144 1.00 9.73 C
ANISOU 152 CG ARG A 10 1580 1367 748 269 253 -47 C
ATOM 153 CD ARG A 10 -10.927 2.017 0.630 1.00 11.45 C
ANISOU 153 CD ARG A 10 1670 1474 1204 299 124 77 C
ATOM 154 NE ARG A 10 -12.240 2.323 0.059 1.00 10.87 N
ANISOU 154 NE ARG A 10 1696 1269 1166 206 354 148 N
ATOM 155 CZ ARG A 10 -12.483 3.229 -0.879 1.00 11.93 C
ANISOU 155 CZ ARG A 10 1791 1376 1367 315 481 40 C
ATOM 156 NH1 ARG A 10 -11.504 3.943 -1.402 1.00 11.99 N
ANISOU 156 NH1 ARG A 10 1855 1419 1282 180 404 35 N
ATOM 157 NH2 ARG A 10 -13.726 3.389 -1.306 1.00 12.51 N
ANISOU 157 NH2 ARG A 10 1892 1538 1323 105 75 253 N
ATOM 158 H ARG A 10 -7.331 -1.006 1.711 1.00 11.44 H
ATOM 159 HA ARG A 10 -8.554 -1.194 -0.566 1.00 11.67 H
ATOM 160 HB2 ARG A 10 -9.463 -0.200 1.405 1.00 11.73 H
ATOM 161 HB3 ARG A 10 -8.572 1.082 1.107 1.00 11.73 H
ATOM 162 HG2 ARG A 10 -9.801 1.311 -0.950 1.00 11.67 H
ATOM 163 HG3 ARG A 10 -10.804 0.219 -0.377 1.00 11.67 H
ATOM 164 HD2 ARG A 10 -11.060 1.722 1.544 1.00 13.74 H
ATOM 165 HD3 ARG A 10 -10.398 2.830 0.617 1.00 13.74 H
ATOM 166 HE ARG A 10 -12.912 1.876 0.357 1.00 13.05 H
ATOM 167 HH11 ARG A 10 -10.695 3.824 -1.135 1.00 14.39 H
ATOM 168 HH12 ARG A 10 -11.675 4.528 -2.009 1.00 14.39 H
ATOM 169 HH21 ARG A 10 -14.359 2.909 -0.976 1.00 15.01 H
ATOM 170 HH22 ARG A 10 -13.901 3.972 -1.913 1.00 15.01 H
ATOM 171 N GLU A 11 -6.291 1.085 -0.528 1.00 10.01 N
ANISOU 171 N GLU A 11 1859 1136 809 -50 126 42 N
ATOM 172 CA GLU A 11 -5.465 1.902 -1.408 1.00 11.02 C
ANISOU 172 CA GLU A 11 1711 1144 1332 -52 198 -73 C
ATOM 173 C GLU A 11 -4.696 1.044 -2.401 1.00 10.10 C
ANISOU 173 C GLU A 11 1318 1208 1312 -10 142 -33 C
ATOM 174 O GLU A 11 -4.583 1.398 -3.577 1.00 11.33 O
ANISOU 174 O GLU A 11 1745 1425 1136 -43 227 188 O
ATOM 175 CB GLU A 11 -4.513 2.746 -0.566 1.00 14.70 C
ANISOU 175 CB GLU A 11 2402 1468 1716 -124 364 -417 C
ATOM 176 CG GLU A 11 -3.574 3.630 -1.357 1.00 21.21 C
ANISOU 176 CG GLU A 11 3399 1995 2665 -263 357 59 C
ATOM 177 H GLU A 11 -6.085 1.137 0.306 1.00 12.01 H
ATOM 178 HA GLU A 11 -6.033 2.499 -1.920 1.00 13.22 H
ATOM 179 HB2 GLU A 11 -5.041 3.322 0.009 1.00 17.64 H
ATOM 180 HB3 GLU A 11 -3.968 2.150 -0.029 1.00 17.64 H
ATOM 181 HG2 GLU A 11 -2.993 3.077 -1.903 1.00 25.46 H
ATOM 182 HG3 GLU A 11 -4.095 4.225 -1.918 1.00 25.46 H
ATOM 183 N GLU A 12 -4.142 -0.079 -1.945 1.00 9.95 N
ANISOU 183 N GLU A 12 1406 1352 1023 93 117 -9 N
ATOM 184 CA GLU A 12 -3.396 -0.941 -2.853 1.00 11.29 C
ANISOU 184 CA GLU A 12 1472 1438 1380 26 15 -63 C
ATOM 185 C GLU A 12 -4.311 -1.534 -3.911 1.00 9.89 C
ANISOU 185 C GLU A 12 1335 1251 1173 167 61 22 C
ATOM 186 O GLU A 12 -3.940 -1.609 -5.083 1.00 10.24 O
ANISOU 186 O GLU A 12 1420 1391 1077 79 323 29 O
ATOM 187 CB GLU A 12 -2.693 -2.041 -2.060 1.00 12.83 C
ANISOU 187 CB GLU A 12 1531 1690 1653 258 -63 -7 C
ATOM 188 CG GLU A 12 -1.572 -1.526 -1.166 1.00 16.91 C
ANISOU 188 CG GLU A 12 1857 2215 2353 110 -75 26 C
ATOM 189 CD GLU A 12 -0.782 -2.632 -0.480 1.00 22.43 C
ANISOU 189 CD GLU A 12 2654 2579 3289 -16 -461 -170 C
ATOM 190 OE1 GLU A 12 -0.941 -3.814 -0.852 1.00 25.62 O
ANISOU 190 OE1 GLU A 12 2865 2711 4159 9 -342 -122 O
ATOM 191 OE2 GLU A 12 0.005 -2.307 0.436 1.00 24.79 O
ANISOU 191 OE2 GLU A 12 3166 2837 3417 -36 -942 -140 O
ATOM 192 H GLU A 12 -4.182 -0.359 -1.132 1.00 11.95 H
ATOM 193 HA GLU A 12 -2.715 -0.419 -3.306 1.00 13.55 H
ATOM 194 HB2 GLU A 12 -3.344 -2.484 -1.494 1.00 15.40 H
ATOM 195 HB3 GLU A 12 -2.307 -2.678 -2.683 1.00 15.40 H
ATOM 196 HG2 GLU A 12 -0.953 -1.012 -1.707 1.00 20.29 H
ATOM 197 HG3 GLU A 12 -1.956 -0.964 -0.476 1.00 20.29 H
ATOM 198 N LEU A 13 -5.518 -1.938 -3.517 1.00 8.96 N
ANISOU 198 N LEU A 13 1257 1214 932 59 134 -13 N
ATOM 199 CA LEU A 13 -6.467 -2.459 -4.490 1.00 9.48 C
ANISOU 199 CA LEU A 13 1387 1072 1145 -51 339 20 C
ATOM 200 C LEU A 13 -6.855 -1.387 -5.493 1.00 9.36 C
ANISOU 200 C LEU A 13 1492 1168 895 -138 275 -50 C
ATOM 201 O LEU A 13 -6.892 -1.646 -6.703 1.00 9.71 O
ANISOU 201 O LEU A 13 1548 1170 970 -221 241 -65 O
ATOM 202 CB LEU A 13 -7.699 -3.014 -3.780 1.00 9.85 C
ANISOU 202 CB LEU A 13 1511 1102 1128 64 258 18 C
ATOM 203 CG LEU A 13 -8.836 -3.501 -4.690 1.00 10.55 C
ANISOU 203 CG LEU A 13 1379 1310 1321 -70 179 189 C
ATOM 204 CD1 LEU A 13 -8.406 -4.559 -5.712 1.00 11.30 C
ANISOU 204 CD1 LEU A 13 1572 1403 1319 -138 268 -66 C
ATOM 205 CD2 LEU A 13 -9.983 -4.024 -3.824 1.00 11.25 C
ANISOU 205 CD2 LEU A 13 1524 1430 1319 -127 290 206 C
ATOM 206 H LEU A 13 -5.807 -1.922 -2.707 1.00 10.75 H
ATOM 207 HA LEU A 13 -6.055 -3.191 -4.976 1.00 11.38 H
ATOM 208 HB2 LEU A 13 -7.421 -3.769 -3.237 1.00 11.82 H
ATOM 209 HB3 LEU A 13 -8.062 -2.315 -3.214 1.00 11.82 H
ATOM 210 HG LEU A 13 -9.132 -2.745 -5.219 1.00 12.67 H
ATOM 211 HD11 LEU A 13 -9.186 -4.854 -6.208 1.00 13.57 H
ATOM 212 HD12 LEU A 13 -7.758 -4.167 -6.318 1.00 13.57 H
ATOM 213 HD13 LEU A 13 -8.009 -5.309 -5.243 1.00 13.57 H
ATOM 214 HD21 LEU A 13 -10.703 -4.324 -4.400 1.00 13.50 H
ATOM 215 HD22 LEU A 13 -9.661 -4.763 -3.285 1.00 13.50 H
ATOM 216 HD23 LEU A 13 -10.296 -3.308 -3.249 1.00 13.50 H
ATOM 217 N ALYS A 14 -7.137 -0.170 -5.019 0.81 9.32 N
ANISOU 217 N ALYS A 14 1609 1225 705 -115 69 -30 N
ATOM 218 N BLYS A 14 -7.130 -0.168 -5.028 0.19 10.31 N
ANISOU 218 N BLYS A 14 1625 1323 971 -121 98 4 N
ATOM 219 CA ALYS A 14 -7.527 0.902 -5.927 0.81 9.07 C
ANISOU 219 CA ALYS A 14 1501 1073 872 71 238 -132 C
ATOM 220 CA BLYS A 14 -7.539 0.884 -5.952 0.19 12.21 C
ANISOU 220 CA BLYS A 14 1834 1445 1360 34 181 112 C
ATOM 221 C ALYS A 14 -6.396 1.250 -6.885 0.81 8.75 C
ANISOU 221 C ALYS A 14 1485 971 869 -127 271 -129 C
ATOM 222 C BLYS A 14 -6.400 1.314 -6.870 0.19 10.32 C
ANISOU 222 C BLYS A 14 1658 1168 1094 -67 230 56 C
ATOM 223 O ALYS A 14 -6.638 1.550 -8.059 0.81 9.21 O
ANISOU 223 O ALYS A 14 1813 969 718 13 116 -58 O
ATOM 224 O BLYS A 14 -6.650 1.741 -8.002 0.19 10.19 O
ANISOU 224 O BLYS A 14 1832 1075 965 -55 191 127 O
ATOM 225 CB ALYS A 14 -7.949 2.140 -5.138 0.81 14.81 C
ANISOU 225 CB ALYS A 14 2133 1697 1798 547 1025 669 C
ATOM 226 CB BLYS A 14 -8.115 2.074 -5.185 0.19 17.60 C
ANISOU 226 CB BLYS A 14 2525 2014 2148 276 435 411 C
ATOM 227 CG ALYS A 14 -9.256 1.990 -4.382 0.81 20.98 C
ANISOU 227 CG ALYS A 14 2841 2455 2675 178 683 868 C
ATOM 228 CG BLYS A 14 -9.516 1.811 -4.649 0.19 22.37 C
ANISOU 228 CG BLYS A 14 3023 2612 2866 149 393 371 C
ATOM 229 CD ALYS A 14 -10.478 2.118 -5.276 0.81 24.38 C
ANISOU 229 CD ALYS A 14 3236 2868 3157 -180 426 432 C
ATOM 230 CD BLYS A 14 -10.218 3.085 -4.187 0.19 25.66 C
ANISOU 230 CD BLYS A 14 3470 3001 3277 9 221 82 C
ATOM 231 CE ALYS A 14 -10.780 3.569 -5.612 0.81 27.40 C
ANISOU 231 CE ALYS A 14 3665 3047 3697 -208 139 145 C
ATOM 232 CE BLYS A 14 -10.601 3.999 -5.350 0.19 27.38 C
ANISOU 232 CE BLYS A 14 3642 3162 3600 41 134 38 C
ATOM 233 NZ ALYS A 14 -12.010 3.687 -6.434 0.81 28.45 N
ANISOU 233 NZ ALYS A 14 3862 3014 3933 -98 -195 21 N
ATOM 234 NZ BLYS A 14 -11.757 3.488 -6.139 0.19 27.77 N
ANISOU 234 NZ BLYS A 14 3691 3205 3657 114 -79 102 N
ATOM 235 H ALYS A 14 -7.110 0.057 -4.190 0.81 11.18 H
ATOM 236 H BLYS A 14 -7.089 0.071 -4.203 0.19 12.38 H
ATOM 237 HA ALYS A 14 -8.289 0.602 -6.447 0.81 10.88 H
ATOM 238 HA BLYS A 14 -8.247 0.540 -6.519 0.19 14.65 H
ATOM 239 HB2ALYS A 14 -7.257 2.344 -4.490 0.81 17.78 H
ATOM 240 HB2BLYS A 14 -7.538 2.272 -4.431 0.19 21.12 H
ATOM 241 HB3ALYS A 14 -8.053 2.880 -5.757 0.81 17.78 H
ATOM 242 HB3BLYS A 14 -8.160 2.840 -5.779 0.19 21.12 H
ATOM 243 HG2ALYS A 14 -9.281 1.114 -3.966 0.81 25.18 H
ATOM 244 HG2BLYS A 14 -10.054 1.410 -5.350 0.19 26.85 H
ATOM 245 HG3ALYS A 14 -9.309 2.681 -3.703 0.81 25.18 H
ATOM 246 HG3BLYS A 14 -9.458 1.209 -3.891 0.19 26.85 H
ATOM 247 HD2ALYS A 14 -10.320 1.640 -6.106 0.81 29.25 H
ATOM 248 HD2BLYS A 14 -11.030 2.845 -3.713 0.19 30.79 H
ATOM 249 HD3ALYS A 14 -11.249 1.745 -4.820 0.81 29.25 H
ATOM 250 HD3BLYS A 14 -9.625 3.578 -3.599 0.19 30.79 H
ATOM 251 HE2ALYS A 14 -10.911 4.069 -4.792 0.81 32.88 H
ATOM 252 HE2BLYS A 14 -10.841 4.871 -4.999 0.19 32.86 H
ATOM 253 HE3ALYS A 14 -10.039 3.944 -6.115 0.81 32.88 H
ATOM 254 HE3BLYS A 14 -9.843 4.080 -5.949 0.19 32.86 H
ATOM 255 HZ1ALYS A 14 -11.821 3.525 -7.289 0.81 34.14 H
ATOM 256 HZ1BLYS A 14 -11.901 4.014 -6.843 0.19 33.33 H
ATOM 257 HZ2ALYS A 14 -12.619 3.100 -6.156 0.81 34.14 H
ATOM 258 HZ2BLYS A 14 -11.590 2.662 -6.425 0.19 33.33 H
ATOM 259 HZ3ALYS A 14 -12.346 4.508 -6.363 0.81 34.14 H
ATOM 260 HZ3BLYS A 14 -12.490 3.477 -5.634 0.19 33.33 H
ATOM 261 N GLU A 15 -5.151 1.232 -6.404 1.00 9.32 N
ANISOU 261 N GLU A 15 1508 1135 897 -88 228 51 N
ATOM 262 CA GLU A 15 -4.022 1.506 -7.283 1.00 10.63 C
ANISOU 262 CA GLU A 15 1662 1249 1128 -84 419 -55 C
ATOM 263 C GLU A 15 -3.907 0.448 -8.373 1.00 10.10 C
ANISOU 263 C GLU A 15 1497 1231 1108 -40 373 24 C
ATOM 264 O GLU A 15 -3.651 0.780 -9.537 1.00 10.45 O
ANISOU 264 O GLU A 15 1639 1316 1014 -213 357 -59 O
ATOM 265 CB GLU A 15 -2.738 1.588 -6.465 1.00 12.53 C
ANISOU 265 CB GLU A 15 1656 1552 1552 -205 297 156 C
ATOM 266 CG GLU A 15 -1.516 2.014 -7.251 1.00 18.49 C
ANISOU 266 CG GLU A 15 2535 2244 2246 -220 765 7 C
ATOM 267 CD GLU A 15 -1.579 3.471 -7.697 1.00 26.13 C
ANISOU 267 CD GLU A 15 3710 2812 3406 -234 1374 112 C
ATOM 268 OE1 GLU A 15 -0.946 3.812 -8.720 1.00 32.09 O
ANISOU 268 OE1 GLU A 15 4558 3311 4323 16 1119 227 O
ATOM 269 OE2 GLU A 15 -2.267 4.275 -7.033 1.00 29.90 O
ANISOU 269 OE2 GLU A 15 4171 2821 4369 -429 937 -207 O
ATOM 270 H GLU A 15 -4.938 1.067 -5.588 1.00 11.18 H
ATOM 271 HA GLU A 15 -4.155 2.364 -7.716 1.00 12.76 H
ATOM 272 HB2 GLU A 15 -2.867 2.233 -5.752 1.00 15.03 H
ATOM 273 HB3 GLU A 15 -2.554 0.712 -6.090 1.00 15.03 H
ATOM 274 HG2 GLU A 15 -0.728 1.905 -6.695 1.00 22.19 H
ATOM 275 HG3 GLU A 15 -1.442 1.461 -8.044 1.00 22.19 H
ATOM 276 N PHE A 16 -4.087 -0.835 -8.020 1.00 10.10 N
ANISOU 276 N PHE A 16 1474 1197 1166 110 259 -5 N
ATOM 277 CA PHE A 16 -4.098 -1.901 -9.020 1.00 10.05 C
ANISOU 277 CA PHE A 16 1668 1077 1075 145 374 92 C
ATOM 278 C PHE A 16 -5.226 -1.690 -10.026 1.00 9.41 C
ANISOU 278 C PHE A 16 1820 839 916 8 380 -42 C
ATOM 279 O PHE A 16 -5.010 -1.776 -11.239 1.00 10.08 O
ANISOU 279 O PHE A 16 1841 971 1019 94 393 -106 O
ATOM 280 CB PHE A 16 -4.227 -3.255 -8.320 1.00 10.77 C
ANISOU 280 CB PHE A 16 1857 1117 1119 233 446 167 C
ATOM 281 CG PHE A 16 -4.351 -4.399 -9.265 1.00 10.72 C
ANISOU 281 CG PHE A 16 1906 1009 1158 207 288 82 C
ATOM 282 CD1 PHE A 16 -3.235 -4.910 -9.916 1.00 12.52 C
ANISOU 282 CD1 PHE A 16 2133 1253 1370 215 402 70 C
ATOM 283 CD2 PHE A 16 -5.586 -4.960 -9.534 1.00 11.12 C
ANISOU 283 CD2 PHE A 16 1799 1039 1386 -96 269 149 C
ATOM 284 CE1 PHE A 16 -3.355 -5.967 -10.785 1.00 13.88 C
ANISOU 284 CE1 PHE A 16 2739 1180 1355 294 529 154 C
ATOM 285 CE2 PHE A 16 -5.699 -6.012 -10.408 1.00 13.18 C
ANISOU 285 CE2 PHE A 16 2286 1126 1596 -164 428 269 C
ATOM 286 CZ PHE A 16 -4.583 -6.506 -11.037 1.00 14.21 C
ANISOU 286 CZ PHE A 16 2895 1066 1438 42 432 258 C
ATOM 287 H PHE A 16 -4.203 -1.109 -7.214 1.00 12.12 H
ATOM 288 HA PHE A 16 -3.262 -1.894 -9.511 1.00 12.07 H
ATOM 289 HB2 PHE A 16 -3.438 -3.402 -7.776 1.00 12.93 H
ATOM 290 HB3 PHE A 16 -5.019 -3.244 -7.761 1.00 12.93 H
ATOM 291 HD1 PHE A 16 -2.399 -4.532 -9.763 1.00 15.02 H
ATOM 292 HD2 PHE A 16 -6.347 -4.621 -9.120 1.00 13.34 H
ATOM 293 HE1 PHE A 16 -2.599 -6.316 -11.202 1.00 16.66 H
ATOM 294 HE2 PHE A 16 -6.532 -6.392 -10.574 1.00 15.82 H
ATOM 295 HZ PHE A 16 -4.665 -7.211 -11.637 1.00 17.05 H
ATOM 296 N LEU A 17 -6.444 -1.411 -9.542 1.00 9.02 N
ANISOU 296 N LEU A 17 1532 1014 882 163 266 88 N
ATOM 297 CA LEU A 17 -7.565 -1.214 -10.455 1.00 9.03 C
ANISOU 297 CA LEU A 17 1433 985 1015 24 260 20 C
ATOM 298 C LEU A 17 -7.297 -0.052 -11.400 1.00 9.44 C
ANISOU 298 C LEU A 17 1507 1010 1069 55 271 126 C
ATOM 299 O LEU A 17 -7.634 -0.111 -12.591 1.00 9.98 O
ANISOU 299 O LEU A 17 1729 1184 880 -37 233 85 O
ATOM 300 CB LEU A 17 -8.858 -0.974 -9.682 1.00 9.03 C
ANISOU 300 CB LEU A 17 1473 1008 950 -173 52 28 C
ATOM 301 CG LEU A 17 -9.301 -2.127 -8.789 1.00 10.01 C
ANISOU 301 CG LEU A 17 1662 1044 1096 -306 141 93 C
ATOM 302 CD1 LEU A 17 -10.475 -1.703 -7.954 1.00 11.22 C
ANISOU 302 CD1 LEU A 17 1654 1306 1302 -91 381 54 C
ATOM 303 CD2 LEU A 17 -9.650 -3.348 -9.619 1.00 11.83 C
ANISOU 303 CD2 LEU A 17 2067 1128 1300 -436 446 129 C
ATOM 304 H LEU A 17 -6.641 -1.332 -8.708 1.00 10.83 H
ATOM 305 HA LEU A 17 -7.679 -2.022 -10.978 1.00 10.84 H
ATOM 306 HB2 LEU A 17 -8.735 -0.197 -9.115 1.00 10.84 H
ATOM 307 HB3 LEU A 17 -9.569 -0.811 -10.320 1.00 10.84 H
ATOM 308 HG LEU A 17 -8.572 -2.371 -8.198 1.00 12.01 H
ATOM 309 HD11 LEU A 17 -10.739 -2.441 -7.383 1.00 13.46 H
ATOM 310 HD12 LEU A 17 -10.218 -0.941 -7.411 1.00 13.46 H
ATOM 311 HD13 LEU A 17 -11.208 -1.459 -8.540 1.00 13.46 H
ATOM 312 HD21 LEU A 17 -10.000 -4.038 -9.033 1.00 14.20 H
ATOM 313 HD22 LEU A 17 -10.318 -3.102 -10.277 1.00 14.20 H
ATOM 314 HD23 LEU A 17 -8.849 -3.667 -10.064 1.00 14.20 H
ATOM 315 N LYS A 18 -6.711 1.026 -10.874 1.00 9.59 N
ANISOU 315 N LYS A 18 1736 928 978 79 263 112 N
ATOM 316 CA LYS A 18 -6.381 2.179 -11.705 1.00 10.00 C
ANISOU 316 CA LYS A 18 1787 1040 973 131 310 -91 C
ATOM 317 C LYS A 18 -5.369 1.804 -12.788 1.00 10.68 C
ANISOU 317 C LYS A 18 2123 1028 908 -110 440 -24 C
ATOM 318 O LYS A 18 -5.549 2.134 -13.966 1.00 12.57 O
ANISOU 318 O LYS A 18 2596 1093 1087 -90 579 104 O
ATOM 319 CB LYS A 18 -5.850 3.293 -10.807 1.00 10.80 C
ANISOU 319 CB LYS A 18 1899 1027 1178 -60 385 -95 C
ATOM 320 CG LYS A 18 -5.492 4.564 -11.543 1.00 13.16 C
ANISOU 320 CG LYS A 18 2397 1094 1510 -178 630 -51 C
ATOM 321 CD LYS A 18 -4.875 5.567 -10.567 1.00 17.06 C
ANISOU 321 CD LYS A 18 3218 1403 1859 -358 847 -25 C
ATOM 322 CE LYS A 18 -4.230 6.753 -11.245 1.00 21.09 C
ANISOU 322 CE LYS A 18 4077 1789 2146 -146 545 -85 C
ATOM 323 NZ LYS A 18 -3.497 7.570 -10.240 1.00 23.95 N
ANISOU 323 NZ LYS A 18 4393 2126 2580 -135 1005 -172 N
ATOM 324 H LYS A 18 -6.496 1.115 -10.046 1.00 11.50 H
ATOM 325 HA LYS A 18 -7.177 2.501 -12.156 1.00 12.00 H
ATOM 326 HB2 LYS A 18 -6.530 3.514 -10.151 1.00 12.96 H
ATOM 327 HB3 LYS A 18 -5.049 2.977 -10.360 1.00 12.96 H
ATOM 328 HG2 LYS A 18 -4.848 4.369 -12.240 1.00 15.80 H
ATOM 329 HG3 LYS A 18 -6.291 4.956 -11.929 1.00 15.80 H
ATOM 330 HD2 LYS A 18 -5.571 5.904 -9.981 1.00 20.47 H
ATOM 331 HD3 LYS A 18 -4.192 5.117 -10.046 1.00 20.47 H
ATOM 332 HE2 LYS A 18 -3.601 6.445 -11.915 1.00 25.31 H
ATOM 333 HE3 LYS A 18 -4.912 7.305 -11.658 1.00 25.31 H
ATOM 334 HZ1 LYS A 18 -2.861 7.081 -9.855 1.00 28.74 H
ATOM 335 HZ2 LYS A 18 -3.121 8.273 -10.636 1.00 28.74 H
ATOM 336 HZ3 LYS A 18 -4.059 7.858 -9.613 1.00 28.74 H
ATOM 337 N LYS A 19 -4.295 1.105 -12.410 1.00 10.68 N
ANISOU 337 N LYS A 19 1692 1190 1178 -4 441 -49 N
ATOM 338 CA LYS A 19 -3.302 0.671 -13.388 1.00 12.01 C
ANISOU 338 CA LYS A 19 1644 1591 1330 -54 561 -242 C
ATOM 339 C LYS A 19 -3.949 -0.183 -14.469 1.00 10.88 C
ANISOU 339 C LYS A 19 1684 1281 1168 -5 780 -207 C
ATOM 340 O LYS A 19 -3.596 -0.085 -15.651 1.00 11.12 O
ANISOU 340 O LYS A 19 1700 1249 1276 -20 557 -42 O
ATOM 341 CB LYS A 19 -2.213 -0.128 -12.660 1.00 15.76 C
ANISOU 341 CB LYS A 19 1605 2297 2087 -56 476 -326 C
ATOM 342 CG LYS A 19 -1.145 -0.760 -13.543 1.00 19.48 C
ANISOU 342 CG LYS A 19 2483 2413 2505 26 236 -195 C
ATOM 343 CD LYS A 19 -0.044 -1.412 -12.695 1.00 21.29 C
ANISOU 343 CD LYS A 19 3191 2376 2523 96 -238 -12 C
ATOM 344 CE LYS A 19 -0.504 -2.682 -11.955 1.00 21.69 C
ANISOU 344 CE LYS A 19 3338 2274 2630 214 -390 -45 C
ATOM 345 NZ LYS A 19 -0.765 -3.837 -12.857 1.00 19.69 N
ANISOU 345 NZ LYS A 19 3125 2058 2298 73 -311 -246 N
ATOM 346 H LYS A 19 -4.119 0.871 -11.601 1.00 12.82 H
ATOM 347 HA LYS A 19 -2.898 1.442 -13.815 1.00 14.42 H
ATOM 348 HB2 LYS A 19 -1.760 0.470 -12.044 1.00 18.92 H
ATOM 349 HB3 LYS A 19 -2.642 -0.847 -12.169 1.00 18.92 H
ATOM 350 HG2 LYS A 19 -1.549 -1.444 -14.099 1.00 23.37 H
ATOM 351 HG3 LYS A 19 -0.740 -0.076 -14.099 1.00 23.37 H
ATOM 352 HD2 LYS A 19 0.693 -1.658 -13.275 1.00 25.55 H
ATOM 353 HD3 LYS A 19 0.257 -0.774 -12.029 1.00 25.55 H
ATOM 354 HE2 LYS A 19 0.187 -2.947 -11.328 1.00 26.03 H
ATOM 355 HE3 LYS A 19 -1.326 -2.487 -11.479 1.00 26.03 H
ATOM 356 HZ1 LYS A 19 -1.001 -4.550 -12.379 1.00 23.63 H
ATOM 357 HZ2 LYS A 19 -1.422 -3.639 -13.423 1.00 23.63 H
ATOM 358 HZ3 LYS A 19 -0.031 -4.032 -13.322 1.00 23.63 H
ATOM 359 N GLU A 20 -4.894 -1.039 -14.080 1.00 10.44 N
ANISOU 359 N GLU A 20 1667 1308 991 -94 464 -67 N
ATOM 360 CA GLU A 20 -5.533 -1.961 -15.007 1.00 10.52 C
ANISOU 360 CA GLU A 20 1587 1160 1249 -27 434 -126 C
ATOM 361 C GLU A 20 -6.661 -1.332 -15.813 1.00 9.61 C
ANISOU 361 C GLU A 20 1646 1124 881 -40 442 138 C
ATOM 362 O GLU A 20 -7.156 -1.972 -16.745 1.00 10.65 O
ANISOU 362 O GLU A 20 1847 1355 846 156 274 -65 O
ATOM 363 CB GLU A 20 -6.116 -3.139 -14.228 1.00 10.52 C
ANISOU 363 CB GLU A 20 1866 1059 1072 132 468 105 C
ATOM 364 CG GLU A 20 -5.093 -3.987 -13.530 1.00 12.38 C
ANISOU 364 CG GLU A 20 2049 1197 1457 131 602 -164 C
ATOM 365 CD GLU A 20 -4.188 -4.708 -14.510 1.00 13.88 C
ANISOU 365 CD GLU A 20 2050 1481 1744 142 241 -172 C
ATOM 366 OE1 GLU A 20 -4.689 -5.537 -15.310 1.00 15.83 O
ANISOU 366 OE1 GLU A 20 1933 1824 2258 319 271 -562 O
ATOM 367 OE2 GLU A 20 -2.971 -4.438 -14.484 1.00 13.65 O
ANISOU 367 OE2 GLU A 20 2318 1538 1330 198 502 -22 O
ATOM 368 H GLU A 20 -5.184 -1.103 -13.273 1.00 12.53 H
ATOM 369 HA GLU A 20 -4.858 -2.277 -15.627 1.00 12.62 H
ATOM 370 HB2 GLU A 20 -6.722 -2.794 -13.554 1.00 12.63 H
ATOM 371 HB3 GLU A 20 -6.598 -3.710 -14.847 1.00 12.63 H
ATOM 372 HG2 GLU A 20 -4.541 -3.421 -12.967 1.00 14.86 H
ATOM 373 HG3 GLU A 20 -5.547 -4.652 -12.989 1.00 14.86 H
ATOM 374 N GLY A 21 -7.091 -0.121 -15.482 1.00 9.86 N
ANISOU 374 N GLY A 21 1775 1092 878 -100 325 7 N
ATOM 375 CA GLY A 21 -8.251 0.462 -16.125 1.00 10.97 C
ANISOU 375 CA GLY A 21 2056 1156 954 -34 350 -29 C
ATOM 376 C GLY A 21 -9.553 -0.226 -15.794 1.00 11.00 C
ANISOU 376 C GLY A 21 2189 1279 710 -270 147 -87 C
ATOM 377 O GLY A 21 -10.461 -0.263 -16.626 1.00 13.50 O
ANISOU 377 O GLY A 21 2479 1881 771 -375 353 102 O
ATOM 378 H GLY A 21 -6.728 0.383 -14.887 1.00 11.83 H
ATOM 379 HA2 GLY A 21 -8.326 1.390 -15.855 1.00 13.16 H
ATOM 380 HA3 GLY A 21 -8.129 0.422 -17.087 1.00 13.16 H
ATOM 381 N ILE A 22 -9.668 -0.781 -14.596 1.00 9.58 N
ANISOU 381 N ILE A 22 1940 943 757 49 299 -9 N
ATOM 382 CA ILE A 22 -10.865 -1.492 -14.176 1.00 10.02 C
ANISOU 382 CA ILE A 22 1767 1064 976 139 319 -45 C
ATOM 383 C ILE A 22 -11.707 -0.553 -13.334 1.00 10.43 C
ANISOU 383 C ILE A 22 2061 1061 840 188 323 -2 C
ATOM 384 O ILE A 22 -11.246 -0.047 -12.305 1.00 11.36 O
ANISOU 384 O ILE A 22 2244 1190 883 71 393 -250 O
ATOM 385 CB ILE A 22 -10.509 -2.758 -13.385 1.00 9.28 C
ANISOU 385 CB ILE A 22 1474 1071 980 -64 181 -22 C
ATOM 386 CG1 ILE A 22 -9.737 -3.729 -14.279 1.00 9.41 C
ANISOU 386 CG1 ILE A 22 1312 1036 1227 71 300 4 C
ATOM 387 CG2 ILE A 22 -11.771 -3.384 -12.848 1.00 10.72 C
ANISOU 387 CG2 ILE A 22 1572 1310 1190 86 231 111 C
ATOM 388 CD1 ILE A 22 -9.098 -4.878 -13.535 1.00 11.69 C
ANISOU 388 CD1 ILE A 22 1925 1191 1324 80 332 246 C
ATOM 389 H ILE A 22 -9.051 -0.758 -13.998 1.00 11.50 H
ATOM 390 HA ILE A 22 -11.378 -1.746 -14.960 1.00 12.03 H
ATOM 391 HB ILE A 22 -9.939 -2.528 -12.635 1.00 11.14 H
ATOM 392 HG12 ILE A 22 -10.350 -4.105 -14.931 1.00 11.29 H
ATOM 393 HG13 ILE A 22 -9.031 -3.241 -14.730 1.00 11.29 H
ATOM 394 HG21 ILE A 22 -11.567 -4.272 -12.517 1.00 12.86 H
ATOM 395 HG22 ILE A 22 -12.115 -2.833 -12.128 1.00 12.86 H
ATOM 396 HG23 ILE A 22 -12.425 -3.440 -13.563 1.00 12.86 H
ATOM 397 HD11 ILE A 22 -8.514 -5.360 -14.140 1.00 14.03 H
ATOM 398 HD12 ILE A 22 -8.586 -4.526 -12.790 1.00 14.03 H
ATOM 399 HD13 ILE A 22 -9.795 -5.469 -13.207 1.00 14.03 H
ATOM 400 N THR A 23 -12.955 -0.348 -13.741 1.00 11.08 N
ANISOU 400 N THR A 23 2186 1056 968 466 348 58 N
ATOM 401 CA THR A 23 -13.808 0.635 -13.093 1.00 13.47 C
ANISOU 401 CA THR A 23 2344 1376 1397 611 507 318 C
ATOM 402 C THR A 23 -15.118 0.051 -12.584 1.00 13.42 C
ANISOU 402 C THR A 23 2274 1629 1196 628 760 252 C
ATOM 403 O THR A 23 -15.961 0.814 -12.103 1.00 18.54 O
ANISOU 403 O THR A 23 2963 2078 2003 1039 1193 380 O
ATOM 404 CB THR A 23 -14.093 1.800 -14.043 1.00 16.67 C
ANISOU 404 CB THR A 23 2732 1728 1875 736 617 565 C
ATOM 405 OG1 THR A 23 -14.801 1.310 -15.189 1.00 18.77 O
ANISOU 405 OG1 THR A 23 3414 2108 1611 869 389 664 O
ATOM 406 CG2 THR A 23 -12.794 2.464 -14.489 1.00 19.50 C
ANISOU 406 CG2 THR A 23 2848 1861 2700 474 456 748 C
ATOM 407 H THR A 23 -13.329 -0.768 -14.392 1.00 13.30 H
ATOM 408 HA THR A 23 -13.330 0.980 -12.323 1.00 16.16 H
ATOM 409 HB THR A 23 -14.629 2.469 -13.590 1.00 20.01 H
ATOM 410 HG1 THR A 23 -15.570 1.057 -14.964 1.00 22.53 H
ATOM 411 HG21 THR A 23 -12.989 3.263 -15.003 1.00 23.40 H
ATOM 412 HG22 THR A 23 -12.264 2.709 -13.714 1.00 23.40 H
ATOM 413 HG23 THR A 23 -12.281 1.852 -15.040 1.00 23.40 H
ATOM 414 N ASN A 24 -15.301 -1.272 -12.622 1.00 10.89 N
ANISOU 414 N ASN A 24 1510 1529 1097 315 195 167 N
ATOM 415 CA ASN A 24 -16.571 -1.877 -12.233 1.00 12.21 C
ANISOU 415 CA ASN A 24 1689 1713 1236 342 130 178 C
ATOM 416 C ASN A 24 -16.509 -2.642 -10.910 1.00 12.66 C
ANISOU 416 C ASN A 24 1883 1844 1085 264 158 515 C
ATOM 417 O ASN A 24 -17.363 -3.495 -10.656 1.00 15.81 O
ANISOU 417 O ASN A 24 1901 2804 1301 -115 57 624 O
ATOM 418 CB ASN A 24 -17.113 -2.769 -13.354 1.00 13.25 C
ANISOU 418 CB ASN A 24 1851 1967 1217 252 -89 236 C
ATOM 419 CG ASN A 24 -16.248 -3.985 -13.618 1.00 13.12 C
ANISOU 419 CG ASN A 24 1708 2016 1263 -50 39 52 C
ATOM 420 OD1 ASN A 24 -15.085 -4.040 -13.224 1.00 12.49 O
ANISOU 420 OD1 ASN A 24 1730 1795 1222 156 289 -83 O
ATOM 421 ND2 ASN A 24 -16.819 -4.974 -14.296 1.00 17.07 N
ANISOU 421 ND2 ASN A 24 2181 2429 1875 -67 -176 -2 N
ATOM 422 H ASN A 24 -14.701 -1.836 -12.870 1.00 13.06 H
ATOM 423 HA ASN A 24 -17.204 -1.154 -12.099 1.00 14.65 H
ATOM 424 HB2 ASN A 24 -17.998 -3.080 -13.109 1.00 15.90 H
ATOM 425 HB3 ASN A 24 -17.158 -2.252 -14.174 1.00 15.90 H
ATOM 426 HD21 ASN A 24 -16.373 -5.688 -14.473 1.00 20.48 H
ATOM 427 HD22 ASN A 24 -17.635 -4.901 -14.558 1.00 20.48 H
ATOM 428 N VAL A 25 -15.546 -2.334 -10.044 1.00 12.75 N
ANISOU 428 N VAL A 25 2292 1485 1066 107 185 188 N
ATOM 429 CA VAL A 25 -15.400 -3.010 -8.758 1.00 12.44 C
ANISOU 429 CA VAL A 25 2334 1455 940 73 117 310 C
ATOM 430 C VAL A 25 -15.935 -2.111 -7.648 1.00 11.70 C
ANISOU 430 C VAL A 25 2205 1360 881 -40 221 127 C
ATOM 431 O VAL A 25 -15.586 -0.928 -7.571 1.00 15.48 O
ANISOU 431 O VAL A 25 3128 1415 1338 -209 817 -109 O
ATOM 432 CB VAL A 25 -13.929 -3.376 -8.503 1.00 12.33 C
ANISOU 432 CB VAL A 25 1979 1528 1178 -110 113 101 C
ATOM 433 CG1 VAL A 25 -13.766 -3.935 -7.104 1.00 11.88 C
ANISOU 433 CG1 VAL A 25 1781 1666 1065 -84 185 199 C
ATOM 434 CG2 VAL A 25 -13.421 -4.346 -9.564 1.00 12.42 C
ANISOU 434 CG2 VAL A 25 2310 1246 1162 -1 513 36 C
ATOM 435 H VAL A 25 -14.955 -1.726 -10.184 1.00 15.30 H
ATOM 436 HA VAL A 25 -15.935 -3.819 -8.763 1.00 14.94 H
ATOM 437 HB VAL A 25 -13.383 -2.576 -8.566 1.00 14.80 H
ATOM 438 HG11 VAL A 25 -12.904 -4.374 -7.039 1.00 14.26 H
ATOM 439 HG12 VAL A 25 -13.816 -3.207 -6.465 1.00 14.26 H
ATOM 440 HG13 VAL A 25 -14.476 -4.574 -6.935 1.00 14.26 H
ATOM 441 HG21 VAL A 25 -12.475 -4.504 -9.420 1.00 14.90 H
ATOM 442 HG22 VAL A 25 -13.911 -5.180 -9.489 1.00 14.90 H
ATOM 443 HG23 VAL A 25 -13.562 -3.957 -10.441 1.00 14.90 H
ATOM 444 N GLU A 26 -16.758 -2.673 -6.770 1.00 10.84 N
ANISOU 444 N GLU A 26 1844 1475 801 95 111 195 N
ATOM 445 CA GLU A 26 -17.257 -1.959 -5.603 1.00 12.34 C
ANISOU 445 CA GLU A 26 1963 1797 930 463 197 -7 C
ATOM 446 C GLU A 26 -16.587 -2.519 -4.359 1.00 10.00 C
ANISOU 446 C GLU A 26 1615 1303 882 238 140 69 C
ATOM 447 O GLU A 26 -16.440 -3.737 -4.225 1.00 11.61 O
ANISOU 447 O GLU A 26 1911 1322 1177 107 -100 -118 O
ATOM 448 CB GLU A 26 -18.769 -2.112 -5.477 1.00 15.86 C
ANISOU 448 CB GLU A 26 2245 2503 1280 686 -122 -30 C
ATOM 449 CG GLU A 26 -19.543 -1.339 -6.536 1.00 23.74 C
ANISOU 449 CG GLU A 26 3707 2944 2370 644 -183 297 C
ATOM 450 CD GLU A 26 -19.281 0.167 -6.510 1.00 30.34 C
ANISOU 450 CD GLU A 26 5046 3322 3160 881 -333 540 C
ATOM 451 OE1 GLU A 26 -19.065 0.728 -5.414 1.00 33.20 O
ANISOU 451 OE1 GLU A 26 5498 3637 3481 942 -584 268 O
ATOM 452 OE2 GLU A 26 -19.293 0.794 -7.591 1.00 33.89 O
ANISOU 452 OE2 GLU A 26 5635 3294 3947 882 43 755 O
ATOM 453 H GLU A 26 -17.045 -3.481 -6.832 1.00 13.01 H
ATOM 454 HA GLU A 26 -17.052 -1.014 -5.679 1.00 14.81 H
ATOM 455 HB2 GLU A 26 -18.998 -3.050 -5.565 1.00 19.04 H
ATOM 456 HB3 GLU A 26 -19.046 -1.784 -4.607 1.00 19.04 H
ATOM 457 HG2 GLU A 26 -19.288 -1.669 -7.412 1.00 28.50 H
ATOM 458 HG3 GLU A 26 -20.493 -1.477 -6.393 1.00 28.50 H
ATOM 459 N ILE A 27 -16.165 -1.622 -3.469 1.00 9.95 N
ANISOU 459 N ILE A 27 1763 1038 980 133 278 162 N
ATOM 460 CA ILE A 27 -15.423 -1.976 -2.265 1.00 9.91 C
ANISOU 460 CA ILE A 27 1732 1151 883 49 454 52 C
ATOM 461 C ILE A 27 -16.155 -1.378 -1.072 1.00 9.76 C
ANISOU 461 C ILE A 27 1833 1080 796 122 295 135 C
ATOM 462 O ILE A 27 -16.472 -0.181 -1.077 1.00 11.49 O
ANISOU 462 O ILE A 27 2158 973 1235 393 387 136 O
ATOM 463 CB ILE A 27 -13.990 -1.409 -2.284 1.00 10.96 C
ANISOU 463 CB ILE A 27 1815 1260 1090 -33 251 12 C
ATOM 464 CG1 ILE A 27 -13.232 -1.851 -3.531 1.00 12.14 C
ANISOU 464 CG1 ILE A 27 1948 1261 1404 -52 532 24 C
ATOM 465 CG2 ILE A 27 -13.239 -1.833 -1.006 1.00 11.65 C
ANISOU 465 CG2 ILE A 27 1617 1437 1371 -271 244 64 C
ATOM 466 CD1 ILE A 27 -11.998 -1.015 -3.801 1.00 14.35 C
ANISOU 466 CD1 ILE A 27 2338 1307 1807 -187 820 -15 C
ATOM 467 H ILE A 27 -16.302 -0.776 -3.548 1.00 11.94 H
ATOM 468 HA ILE A 27 -15.391 -2.942 -2.191 1.00 11.90 H
ATOM 469 HB ILE A 27 -14.049 -0.441 -2.310 1.00 13.15 H
ATOM 470 HG12 ILE A 27 -12.950 -2.772 -3.418 1.00 14.57 H
ATOM 471 HG13 ILE A 27 -13.818 -1.775 -4.299 1.00 14.57 H
ATOM 472 HG21 ILE A 27 -12.295 -1.643 -1.117 1.00 13.98 H
ATOM 473 HG22 ILE A 27 -13.591 -1.334 -0.253 1.00 13.98 H
ATOM 474 HG23 ILE A 27 -13.371 -2.784 -0.864 1.00 13.98 H
ATOM 475 HD11 ILE A 27 -11.633 -1.260 -4.666 1.00 17.22 H
ATOM 476 HD12 ILE A 27 -12.246 -0.077 -3.800 1.00 17.22 H
ATOM 477 HD13 ILE A 27 -11.343 -1.185 -3.106 1.00 17.22 H
ATOM 478 N ARG A 28 -16.378 -2.183 -0.036 1.00 9.33 N
ANISOU 478 N ARG A 28 1716 1064 764 154 206 54 N
ATOM 479 CA ARG A 28 -16.955 -1.707 1.214 1.00 9.97 C
ANISOU 479 CA ARG A 28 1493 1297 1000 190 325 14 C
ATOM 480 C ARG A 28 -16.124 -2.248 2.369 1.00 10.17 C
ANISOU 480 C ARG A 28 1855 1120 891 256 300 122 C
ATOM 481 O ARG A 28 -15.638 -3.382 2.317 1.00 11.31 O
ANISOU 481 O ARG A 28 2174 1117 1007 298 214 -42 O
ATOM 482 CB ARG A 28 -18.401 -2.171 1.372 1.00 12.09 C
ANISOU 482 CB ARG A 28 1940 1505 1149 -9 319 -211 C
ATOM 483 CG ARG A 28 -19.356 -1.622 0.323 1.00 16.04 C
ANISOU 483 CG ARG A 28 2556 1797 1742 277 -272 153 C
ATOM 484 CD ARG A 28 -19.530 -0.114 0.459 1.00 18.09 C
ANISOU 484 CD ARG A 28 2693 2069 2111 332 -505 468 C
ATOM 485 NE ARG A 28 -20.567 0.407 -0.425 1.00 21.51 N
ANISOU 485 NE ARG A 28 3259 2323 2592 352 82 607 N
ATOM 486 CZ ARG A 28 -20.357 0.836 -1.667 1.00 24.20 C
ANISOU 486 CZ ARG A 28 4099 2522 2574 593 -67 618 C
ATOM 487 NH1 ARG A 28 -19.140 0.798 -2.192 1.00 22.82 N
ANISOU 487 NH1 ARG A 28 3816 2530 2325 556 129 525 N
ATOM 488 NH2 ARG A 28 -21.370 1.295 -2.389 1.00 26.93 N
ANISOU 488 NH2 ARG A 28 4718 2800 2712 694 -439 513 N
ATOM 489 H ARG A 28 -16.198 -3.024 -0.037 1.00 11.20 H
ATOM 490 HA ARG A 28 -16.942 -0.738 1.234 1.00 11.97 H
ATOM 491 HB2 ARG A 28 -18.424 -3.138 1.312 1.00 14.51 H
ATOM 492 HB3 ARG A 28 -18.724 -1.884 2.241 1.00 14.51 H
ATOM 493 HG2 ARG A 28 -19.004 -1.809 -0.561 1.00 19.25 H
ATOM 494 HG3 ARG A 28 -20.225 -2.039 0.430 1.00 19.25 H
ATOM 495 HD2 ARG A 28 -19.779 0.096 1.373 1.00 21.71 H
ATOM 496 HD3 ARG A 28 -18.694 0.323 0.234 1.00 21.71 H
ATOM 497 HE ARG A 28 -21.372 0.440 -0.122 1.00 25.82 H
ATOM 498 HH11 ARG A 28 -18.481 0.495 -1.729 1.00 27.39 H
ATOM 499 HH12 ARG A 28 -19.009 1.076 -2.995 1.00 27.39 H
ATOM 500 HH21 ARG A 28 -22.162 1.316 -2.055 1.00 32.31 H
ATOM 501 HH22 ARG A 28 -21.235 1.573 -3.192 1.00 32.31 H
ATOM 502 N ILE A 29 -15.967 -1.433 3.409 1.00 10.32 N
ANISOU 502 N ILE A 29 2122 916 882 337 297 38 N
ATOM 503 CA ILE A 29 -15.316 -1.837 4.653 1.00 11.01 C
ANISOU 503 CA ILE A 29 2283 1071 831 222 516 69 C
ATOM 504 C ILE A 29 -16.312 -1.604 5.773 1.00 12.38 C
ANISOU 504 C ILE A 29 2269 1265 1171 420 285 85 C
ATOM 505 O ILE A 29 -16.864 -0.507 5.887 1.00 14.43 O
ANISOU 505 O ILE A 29 2822 1225 1435 791 675 120 O
ATOM 506 CB ILE A 29 -14.032 -1.030 4.916 1.00 11.82 C
ANISOU 506 CB ILE A 29 2410 1191 889 288 166 8 C
ATOM 507 CG1 ILE A 29 -12.979 -1.328 3.852 1.00 12.87 C
ANISOU 507 CG1 ILE A 29 2465 1338 1087 106 315 154 C
ATOM 508 CG2 ILE A 29 -13.488 -1.346 6.310 1.00 13.16 C
ANISOU 508 CG2 ILE A 29 2319 1400 1281 283 -81 -117 C
ATOM 509 CD1 ILE A 29 -11.802 -0.372 3.869 1.00 14.90 C
ANISOU 509 CD1 ILE A 29 2175 1545 1941 47 238 204 C
ATOM 510 H ILE A 29 -16.238 -0.617 3.416 1.00 12.38 H
ATOM 511 HA ILE A 29 -15.083 -2.777 4.610 1.00 13.22 H
ATOM 512 HB ILE A 29 -14.250 -0.086 4.870 1.00 14.18 H
ATOM 513 HG12 ILE A 29 -12.635 -2.224 3.997 1.00 15.45 H
ATOM 514 HG13 ILE A 29 -13.395 -1.270 2.977 1.00 15.45 H
ATOM 515 HG21 ILE A 29 -12.573 -1.031 6.371 1.00 15.79 H
ATOM 516 HG22 ILE A 29 -14.038 -0.899 6.973 1.00 15.79 H
ATOM 517 HG23 ILE A 29 -13.517 -2.306 6.450 1.00 15.79 H
ATOM 518 HD11 ILE A 29 -11.274 -0.508 3.067 1.00 17.88 H
ATOM 519 HD12 ILE A 29 -12.135 0.538 3.896 1.00 17.88 H
ATOM 520 HD13 ILE A 29 -11.262 -0.550 4.655 1.00 17.88 H
ATOM 521 N ASP A 30 -16.551 -2.631 6.580 1.00 12.69 N
ANISOU 521 N ASP A 30 1989 1636 1198 538 455 388 N
ATOM 522 CA ASP A 30 -17.596 -2.568 7.598 1.00 15.88 C
ANISOU 522 CA ASP A 30 1924 2397 1713 338 512 588 C
ATOM 523 C ASP A 30 -17.173 -3.420 8.787 1.00 13.14 C
ANISOU 523 C ASP A 30 1966 2028 999 431 466 334 C
ATOM 524 O ASP A 30 -17.148 -4.645 8.685 1.00 13.19 O
ANISOU 524 O ASP A 30 2160 1836 1014 542 238 127 O
ATOM 525 CB ASP A 30 -18.913 -3.061 6.990 1.00 23.60 C
ANISOU 525 CB ASP A 30 2893 3260 2816 205 631 852 C
ATOM 526 CG ASP A 30 -20.029 -3.178 8.000 1.00 31.29 C
ANISOU 526 CG ASP A 30 3951 3831 4105 -3 675 651 C
ATOM 527 OD1 ASP A 30 -20.646 -4.261 8.061 1.00 35.74 O
ANISOU 527 OD1 ASP A 30 4433 4044 5104 -106 723 586 O
ATOM 528 OD2 ASP A 30 -20.292 -2.194 8.721 1.00 32.95 O
ANISOU 528 OD2 ASP A 30 4278 4145 4095 -82 806 467 O
ATOM 529 H ASP A 30 -16.122 -3.376 6.559 1.00 15.23 H
ATOM 530 HA ASP A 30 -17.701 -1.661 7.925 1.00 19.06 H
ATOM 531 HB2 ASP A 30 -19.196 -2.435 6.305 1.00 28.33 H
ATOM 532 HB3 ASP A 30 -18.770 -3.937 6.600 1.00 28.33 H
ATOM 533 N ASN A 31 -16.843 -2.780 9.914 1.00 13.08 N
ANISOU 533 N ASN A 31 1959 1794 1218 306 470 200 N
ATOM 534 CA ASN A 31 -16.558 -3.484 11.165 1.00 12.43 C
ANISOU 534 CA ASN A 31 2021 1727 972 250 449 53 C
ATOM 535 C ASN A 31 -15.579 -4.644 10.974 1.00 12.77 C
ANISOU 535 C ASN A 31 2123 2070 660 356 239 86 C
ATOM 536 O ASN A 31 -15.802 -5.764 11.436 1.00 13.76 O
ANISOU 536 O ASN A 31 2358 2063 808 512 279 292 O
ATOM 537 CB ASN A 31 -17.867 -3.944 11.798 1.00 12.85 C
ANISOU 537 CB ASN A 31 1969 1821 1091 229 307 -1 C
ATOM 538 CG ASN A 31 -18.701 -2.788 12.281 1.00 13.68 C
ANISOU 538 CG ASN A 31 2111 2134 954 255 137 -59 C
ATOM 539 OD1 ASN A 31 -18.176 -1.825 12.847 1.00 16.12 O
ANISOU 539 OD1 ASN A 31 2139 2514 1471 360 78 -480 O
ATOM 540 ND2 ASN A 31 -20.007 -2.861 12.055 1.00 14.86 N
ANISOU 540 ND2 ASN A 31 2015 2261 1370 190 219 54 N
ATOM 541 H ASN A 31 -16.777 -1.925 9.976 1.00 15.70 H
ATOM 542 HA ASN A 31 -16.114 -2.870 11.771 1.00 14.91 H
ATOM 543 HB2 ASN A 31 -18.384 -4.436 11.141 1.00 15.42 H
ATOM 544 HB3 ASN A 31 -17.670 -4.514 12.559 1.00 15.42 H
ATOM 545 HD21 ASN A 31 -20.525 -2.224 12.313 1.00 17.84 H
ATOM 546 HD22 ASN A 31 -20.336 -3.545 11.651 1.00 17.84 H
ATOM 547 N GLY A 32 -14.464 -4.361 10.300 1.00 13.69 N
ANISOU 547 N GLY A 32 1877 2484 840 443 164 -90 N
ATOM 548 CA GLY A 32 -13.399 -5.329 10.144 1.00 15.54 C
ANISOU 548 CA GLY A 32 2086 2703 1114 655 398 185 C
ATOM 549 C GLY A 32 -13.570 -6.281 8.988 1.00 15.15 C
ANISOU 549 C GLY A 32 1958 2513 1283 739 692 558 C
ATOM 550 O GLY A 32 -12.747 -7.189 8.815 1.00 16.47 O
ANISOU 550 O GLY A 32 1924 2733 1600 791 357 707 O
ATOM 551 H GLY A 32 -14.307 -3.605 9.922 1.00 16.43 H
ATOM 552 HA2 GLY A 32 -12.564 -4.854 10.014 1.00 18.65 H
ATOM 553 HA3 GLY A 32 -13.338 -5.858 10.955 1.00 18.65 H
ATOM 554 N ARG A 33 -14.612 -6.107 8.198 1.00 13.23 N
ANISOU 554 N ARG A 33 2017 1993 1018 647 341 610 N
ATOM 555 CA ARG A 33 -14.870 -6.942 7.044 1.00 13.13 C
ANISOU 555 CA ARG A 33 2439 1472 1078 570 483 312 C
ATOM 556 C ARG A 33 -14.622 -6.128 5.784 1.00 11.44 C
ANISOU 556 C ARG A 33 2164 1193 992 535 420 218 C
ATOM 557 O ARG A 33 -15.045 -4.971 5.688 1.00 12.43 O
ANISOU 557 O ARG A 33 2391 1352 981 556 612 233 O
ATOM 558 CB ARG A 33 -16.319 -7.406 7.092 1.00 14.74 C
ANISOU 558 CB ARG A 33 2412 1549 1638 23 610 145 C
ATOM 559 CG ARG A 33 -16.711 -8.303 5.958 1.00 19.02 C
ANISOU 559 CG ARG A 33 2684 2051 2492 -106 738 -188 C
ATOM 560 CD ARG A 33 -18.110 -8.823 6.160 1.00 22.95 C
ANISOU 560 CD ARG A 33 2727 2472 3519 -5 1057 -311 C
ATOM 561 NE ARG A 33 -19.093 -7.752 6.050 1.00 25.71 N
ANISOU 561 NE ARG A 33 2825 2715 4229 292 1004 -588 N
ATOM 562 CZ ARG A 33 -19.763 -7.459 4.940 1.00 29.26 C
ANISOU 562 CZ ARG A 33 3264 2918 4935 404 902 -733 C
ATOM 563 NH1 ARG A 33 -19.576 -8.166 3.832 1.00 29.39 N
ANISOU 563 NH1 ARG A 33 3276 2967 4922 162 1130 -912 N
ATOM 564 NH2 ARG A 33 -20.633 -6.461 4.945 1.00 32.03 N
ANISOU 564 NH2 ARG A 33 3745 3065 5362 528 640 -571 N
ATOM 565 H ARG A 33 -15.201 -5.492 8.317 1.00 15.88 H
ATOM 566 HA ARG A 33 -14.280 -7.712 7.026 1.00 15.76 H
ATOM 567 HB2 ARG A 33 -16.462 -7.894 7.918 1.00 17.69 H
ATOM 568 HB3 ARG A 33 -16.896 -6.627 7.064 1.00 17.69 H
ATOM 569 HG2 ARG A 33 -16.681 -7.807 5.125 1.00 22.83 H
ATOM 570 HG3 ARG A 33 -16.103 -9.059 5.916 1.00 22.83 H
ATOM 571 HD2 ARG A 33 -18.307 -9.489 5.484 1.00 27.54 H
ATOM 572 HD3 ARG A 33 -18.183 -9.215 7.044 1.00 27.54 H
ATOM 573 HE ARG A 33 -19.249 -7.277 6.750 1.00 30.85 H
ATOM 574 HH11 ARG A 33 -19.018 -8.820 3.829 1.00 35.27 H
ATOM 575 HH12 ARG A 33 -20.014 -7.971 3.118 1.00 35.27 H
ATOM 576 HH21 ARG A 33 -20.762 -6.006 5.664 1.00 38.44 H
ATOM 577 HH22 ARG A 33 -21.070 -6.267 4.230 1.00 38.44 H
ATOM 578 N LEU A 34 -13.921 -6.735 4.835 1.00 9.46 N
ANISOU 578 N LEU A 34 1709 1061 823 218 263 182 N
ATOM 579 CA LEU A 34 -13.720 -6.182 3.503 1.00 9.73 C
ANISOU 579 CA LEU A 34 1824 1224 648 161 256 35 C
ATOM 580 C LEU A 34 -14.640 -6.920 2.547 1.00 9.64 C
ANISOU 580 C LEU A 34 1773 1024 865 209 79 131 C
ATOM 581 O LEU A 34 -14.627 -8.155 2.491 1.00 11.47 O
ANISOU 581 O LEU A 34 1981 1033 1346 180 -153 -93 O
ATOM 582 CB LEU A 34 -12.269 -6.367 3.074 1.00 10.29 C
ANISOU 582 CB LEU A 34 1644 1329 935 204 335 185 C
ATOM 583 CG LEU A 34 -11.902 -5.889 1.678 1.00 12.41 C
ANISOU 583 CG LEU A 34 2061 1468 1188 530 675 299 C
ATOM 584 CD1 LEU A 34 -12.098 -4.356 1.607 1.00 14.03 C
ANISOU 584 CD1 LEU A 34 2636 1258 1435 273 792 375 C
ATOM 585 CD2 LEU A 34 -10.484 -6.305 1.320 1.00 14.59 C
ANISOU 585 CD2 LEU A 34 2100 1808 1635 724 897 354 C
ATOM 586 H LEU A 34 -13.538 -7.497 4.944 1.00 11.35 H
ATOM 587 HA LEU A 34 -13.929 -5.234 3.486 1.00 11.68 H
ATOM 588 HB2 LEU A 34 -11.708 -5.880 3.698 1.00 12.35 H
ATOM 589 HB3 LEU A 34 -12.064 -7.314 3.113 1.00 12.35 H
ATOM 590 HG LEU A 34 -12.479 -6.299 1.015 1.00 14.90 H
ATOM 591 HD11 LEU A 34 -11.802 -4.040 0.739 1.00 16.83 H
ATOM 592 HD12 LEU A 34 -13.038 -4.152 1.730 1.00 16.83 H
ATOM 593 HD13 LEU A 34 -11.573 -3.938 2.307 1.00 16.83 H
ATOM 594 HD21 LEU A 34 -10.295 -6.032 0.409 1.00 17.51 H
ATOM 595 HD22 LEU A 34 -9.864 -5.872 1.929 1.00 17.51 H
ATOM 596 HD23 LEU A 34 -10.407 -7.268 1.400 1.00 17.51 H
ATOM 597 N GLU A 35 -15.439 -6.161 1.804 1.00 9.77 N
ANISOU 597 N GLU A 35 1720 1146 844 132 216 -24 N
ATOM 598 CA GLU A 35 -16.342 -6.715 0.811 1.00 10.87 C
ANISOU 598 CA GLU A 35 1903 1259 969 125 131 -17 C
ATOM 599 C GLU A 35 -15.981 -6.143 -0.547 1.00 10.66 C
ANISOU 599 C GLU A 35 2254 1011 786 57 138 -25 C
ATOM 600 O GLU A 35 -15.862 -4.925 -0.694 1.00 12.48 O
ANISOU 600 O GLU A 35 2972 1020 748 146 36 23 O
ATOM 601 CB GLU A 35 -17.787 -6.349 1.125 1.00 13.51 C
ANISOU 601 CB GLU A 35 1960 1743 1429 -181 3 247 C
ATOM 602 CG GLU A 35 -18.799 -6.944 0.172 1.00 21.40 C
ANISOU 602 CG GLU A 35 2990 2494 2645 -237 171 531 C
ATOM 603 CD GLU A 35 -20.216 -6.525 0.503 1.00 28.92 C
ANISOU 603 CD GLU A 35 3835 3537 3615 25 499 547 C
ATOM 604 OE1 GLU A 35 -20.717 -6.919 1.579 1.00 31.60 O
ANISOU 604 OE1 GLU A 35 4258 4042 3706 296 654 454 O
ATOM 605 OE2 GLU A 35 -20.824 -5.791 -0.306 1.00 32.99 O
ANISOU 605 OE2 GLU A 35 4341 3911 4283 22 469 541 O
ATOM 606 H GLU A 35 -15.473 -5.303 1.863 1.00 11.72 H
ATOM 607 HA GLU A 35 -16.252 -7.681 0.796 1.00 13.05 H
ATOM 608 HB2 GLU A 35 -18.001 -6.666 2.017 1.00 16.21 H
ATOM 609 HB3 GLU A 35 -17.878 -5.384 1.086 1.00 16.21 H
ATOM 610 HG2 GLU A 35 -18.600 -6.646 -0.730 1.00 25.68 H
ATOM 611 HG3 GLU A 35 -18.751 -7.911 0.220 1.00 25.68 H
ATOM 612 N VAL A 36 -15.834 -7.017 -1.536 1.00 10.53 N
ANISOU 612 N VAL A 36 2218 1004 778 175 68 67 N
ATOM 613 CA VAL A 36 -15.531 -6.620 -2.905 1.00 10.91 C
ANISOU 613 CA VAL A 36 2255 1183 707 363 60 67 C
ATOM 614 C VAL A 36 -16.543 -7.305 -3.811 1.00 11.58 C
ANISOU 614 C VAL A 36 2519 1073 807 277 49 -138 C
ATOM 615 O VAL A 36 -16.720 -8.526 -3.736 1.00 14.19 O
ANISOU 615 O VAL A 36 3271 1066 1054 173 -297 -46 O
ATOM 616 CB VAL A 36 -14.090 -7.002 -3.294 1.00 12.17 C
ANISOU 616 CB VAL A 36 2323 1422 880 553 -13 -7 C
ATOM 617 CG1 VAL A 36 -13.783 -6.577 -4.717 1.00 13.12 C
ANISOU 617 CG1 VAL A 36 2346 1602 1037 545 131 10 C
ATOM 618 CG2 VAL A 36 -13.079 -6.381 -2.332 1.00 13.52 C
ANISOU 618 CG2 VAL A 36 2372 1541 1222 359 235 376 C
ATOM 619 H VAL A 36 -15.907 -7.868 -1.434 1.00 12.63 H
ATOM 620 HA VAL A 36 -15.625 -5.660 -3.008 1.00 13.09 H
ATOM 621 HB VAL A 36 -14.010 -7.967 -3.238 1.00 14.61 H
ATOM 622 HG11 VAL A 36 -12.835 -6.692 -4.884 1.00 15.75 H
ATOM 623 HG12 VAL A 36 -14.296 -7.129 -5.329 1.00 15.75 H
ATOM 624 HG13 VAL A 36 -14.028 -5.645 -4.828 1.00 15.75 H
ATOM 625 HG21 VAL A 36 -12.183 -6.625 -2.614 1.00 16.22 H
ATOM 626 HG22 VAL A 36 -13.179 -5.417 -2.347 1.00 16.22 H
ATOM 627 HG23 VAL A 36 -13.247 -6.717 -1.437 1.00 16.22 H
ATOM 628 N ARG A 37 -17.223 -6.523 -4.647 1.00 11.09 N
ANISOU 628 N ARG A 37 2251 1149 814 261 -4 -32 N
ATOM 629 CA ARG A 37 -18.170 -7.079 -5.604 1.00 10.80 C
ANISOU 629 CA ARG A 37 1875 1450 779 60 452 117 C
ATOM 630 C ARG A 37 -17.806 -6.597 -6.999 1.00 10.36 C
ANISOU 630 C ARG A 37 1752 1302 882 174 134 98 C
ATOM 631 O ARG A 37 -17.604 -5.400 -7.224 1.00 11.18 O
ANISOU 631 O ARG A 37 2025 1330 892 91 118 75 O
ATOM 632 CB ARG A 37 -19.630 -6.677 -5.330 1.00 16.85 C
ANISOU 632 CB ARG A 37 2619 2005 1780 -18 973 172 C
ATOM 633 CG ARG A 37 -20.641 -7.369 -6.284 1.00 22.63 C
ANISOU 633 CG ARG A 37 3127 2724 2749 49 759 339 C
ATOM 634 CD ARG A 37 -22.103 -6.923 -6.087 1.00 26.61 C
ANISOU 634 CD ARG A 37 3773 3216 3121 117 143 239 C
ATOM 635 NE ARG A 37 -23.012 -7.584 -7.031 1.00 28.38 N
ANISOU 635 NE ARG A 37 3751 3433 3600 30 -147 89 N
ATOM 636 CZ ARG A 37 -23.254 -7.162 -8.273 1.00 29.14 C
ANISOU 636 CZ ARG A 37 3709 3603 3761 -256 -3 170 C
ATOM 637 NH1 ARG A 37 -22.662 -6.069 -8.740 1.00 28.77 N
ANISOU 637 NH1 ARG A 37 3723 3701 3509 -425 58 470 N
ATOM 638 NH2 ARG A 37 -24.091 -7.833 -9.055 1.00 29.09 N
ANISOU 638 NH2 ARG A 37 3480 3682 3890 -368 169 69 N
ATOM 639 H ARG A 37 -17.150 -5.666 -4.675 1.00 13.31 H
ATOM 640 HA ARG A 37 -18.105 -8.045 -5.543 1.00 12.96 H
ATOM 641 HB2 ARG A 37 -19.860 -6.924 -4.421 1.00 20.23 H
ATOM 642 HB3 ARG A 37 -19.719 -5.718 -5.445 1.00 20.23 H
ATOM 643 HG2 ARG A 37 -20.393 -7.166 -7.200 1.00 27.16 H
ATOM 644 HG3 ARG A 37 -20.603 -8.327 -6.134 1.00 27.16 H
ATOM 645 HD2 ARG A 37 -22.386 -7.147 -5.187 1.00 31.93 H
ATOM 646 HD3 ARG A 37 -22.166 -5.965 -6.226 1.00 31.93 H
ATOM 647 HE ARG A 37 -23.418 -8.294 -6.764 1.00 34.06 H
ATOM 648 HH11 ARG A 37 -22.119 -5.628 -8.241 1.00 34.53 H
ATOM 649 HH12 ARG A 37 -22.823 -5.803 -9.542 1.00 34.53 H
ATOM 650 HH21 ARG A 37 -24.480 -8.541 -8.762 1.00 34.91 H
ATOM 651 HH22 ARG A 37 -24.245 -7.558 -9.856 1.00 34.91 H
ATOM 652 N VAL A 38 -17.770 -7.513 -7.955 1.00 10.04 N
ANISOU 652 N VAL A 38 1825 1216 776 77 165 -44 N
ATOM 653 CA VAL A 38 -17.534 -7.115 -9.330 1.00 11.80 C
ANISOU 653 CA VAL A 38 1864 1554 1066 -51 105 -18 C
ATOM 654 C VAL A 38 -18.266 -8.076 -10.237 1.00 11.18 C
ANISOU 654 C VAL A 38 1556 1857 834 263 -77 223 C
ATOM 655 O VAL A 38 -18.383 -9.265 -9.953 1.00 13.75 O
ANISOU 655 O VAL A 38 1989 1940 1296 -135 50 -156 O
ATOM 656 CB VAL A 38 -16.027 -7.059 -9.646 1.00 13.08 C
ANISOU 656 CB VAL A 38 2052 1842 1074 73 -40 -194 C
ATOM 657 CG1 VAL A 38 -15.434 -8.421 -9.480 1.00 12.34 C
ANISOU 657 CG1 VAL A 38 1715 1616 1357 -205 259 -75 C
ATOM 658 CG2 VAL A 38 -15.793 -6.509 -11.029 1.00 15.50 C
ANISOU 658 CG2 VAL A 38 2501 2046 1340 -262 557 -280 C
ATOM 659 H VAL A 38 -17.878 -8.357 -7.831 1.00 12.06 H
ATOM 660 HA VAL A 38 -17.903 -6.231 -9.481 1.00 14.17 H
ATOM 661 HB VAL A 38 -15.581 -6.458 -9.028 1.00 15.69 H
ATOM 662 HG11 VAL A 38 -14.467 -8.350 -9.513 1.00 14.81 H
ATOM 663 HG12 VAL A 38 -15.710 -8.783 -8.624 1.00 14.81 H
ATOM 664 HG13 VAL A 38 -15.749 -8.992 -10.198 1.00 14.81 H
ATOM 665 HG21 VAL A 38 -14.839 -6.473 -11.198 1.00 18.60 H
ATOM 666 HG22 VAL A 38 -16.222 -7.090 -11.677 1.00 18.60 H
ATOM 667 HG23 VAL A 38 -16.173 -5.618 -11.083 1.00 18.60 H
ATOM 668 N GLU A 39 -18.767 -7.543 -11.345 1.00 14.72 N
ANISOU 668 N GLU A 39 1861 2509 1223 474 268 62 N
ATOM 669 CA GLU A 39 -19.369 -8.381 -12.371 1.00 17.37 C
ANISOU 669 CA GLU A 39 2130 3045 1426 162 -166 -308 C
ATOM 670 C GLU A 39 -18.258 -8.767 -13.326 1.00 19.57 C
ANISOU 670 C GLU A 39 2736 3250 1449 -409 488 -148 C
ATOM 671 O GLU A 39 -17.930 -8.033 -14.267 1.00 24.29 O
ANISOU 671 O GLU A 39 3787 3499 1943 -218 1079 158 O
ATOM 672 CB GLU A 39 -20.488 -7.674 -13.114 1.00 18.41 C
ANISOU 672 CB GLU A 39 2228 3335 1431 115 -107 -614 C
ATOM 673 CG GLU A 39 -21.093 -8.532 -14.194 1.00 24.91 C
ANISOU 673 CG GLU A 39 2843 3769 2853 96 1 -430 C
ATOM 674 CD GLU A 39 -22.077 -7.762 -15.021 1.00 27.19 C
ANISOU 674 CD GLU A 39 2807 4224 3299 191 -486 -185 C
ATOM 675 OE1 GLU A 39 -22.253 -8.106 -16.206 1.00 24.84 O
ANISOU 675 OE1 GLU A 39 2222 4402 2813 8 -62 -131 O
ATOM 676 OE2 GLU A 39 -22.676 -6.806 -14.485 1.00 30.69 O
ANISOU 676 OE2 GLU A 39 3202 4348 4113 467 -692 -81 O
ATOM 677 H GLU A 39 -18.770 -6.701 -11.523 1.00 17.67 H
ATOM 678 HA GLU A 39 -19.752 -9.167 -11.951 1.00 20.85 H
ATOM 679 HB2 GLU A 39 -21.189 -7.443 -12.484 1.00 22.09 H
ATOM 680 HB3 GLU A 39 -20.135 -6.871 -13.528 1.00 22.09 H
ATOM 681 HG2 GLU A 39 -20.390 -8.855 -14.779 1.00 29.89 H
ATOM 682 HG3 GLU A 39 -21.556 -9.281 -13.787 1.00 29.89 H
ATOM 683 N GLY A 40 -17.695 -9.931 -13.085 1.00 20.32 N
ANISOU 683 N GLY A 40 2734 3123 1862 -302 78 -319 N
ATOM 684 CA GLY A 40 -16.730 -10.481 -13.989 1.00 19.36 C
ANISOU 684 CA GLY A 40 2768 2679 1910 -322 122 -643 C
ATOM 685 C GLY A 40 -15.430 -9.727 -13.946 1.00 17.06 C
ANISOU 685 C GLY A 40 2656 2179 1646 -630 445 -607 C
ATOM 686 O GLY A 40 -15.345 -8.577 -13.499 1.00 20.04 O
ANISOU 686 O GLY A 40 2637 2303 2674 -641 982 -1142 O
ATOM 687 H GLY A 40 -17.859 -10.421 -12.398 1.00 24.38 H
ATOM 688 HA2 GLY A 40 -16.558 -11.406 -13.754 1.00 23.24 H
ATOM 689 HA3 GLY A 40 -17.078 -10.444 -14.894 1.00 23.24 H
ATOM 690 N GLY A 41 -14.398 -10.398 -14.406 1.00 16.12 N
ANISOU 690 N GLY A 41 2750 1818 1559 -406 231 -347 N
ATOM 691 CA GLY A 41 -13.092 -9.792 -14.467 1.00 15.91 C
ANISOU 691 CA GLY A 41 2448 1591 2008 -166 502 -306 C
ATOM 692 C GLY A 41 -12.137 -10.730 -15.157 1.00 13.50 C
ANISOU 692 C GLY A 41 2482 1310 1337 137 20 -160 C
ATOM 693 O GLY A 41 -12.441 -11.902 -15.409 1.00 16.58 O
ANISOU 693 O GLY A 41 3150 1412 1739 123 278 -282 O
ATOM 694 H GLY A 41 -14.427 -11.209 -14.691 1.00 19.35 H
ATOM 695 HA2 GLY A 41 -13.134 -8.959 -14.962 1.00 19.10 H
ATOM 696 HA3 GLY A 41 -12.767 -9.610 -13.571 1.00 19.10 H
ATOM 697 N THR A 42 -10.967 -10.184 -15.446 1.00 11.82 N
ANISOU 697 N THR A 42 2143 1375 973 160 99 -99 N
ATOM 698 CA THR A 42 -9.913 -10.939 -16.082 1.00 11.77 C
ANISOU 698 CA THR A 42 2273 1411 790 408 270 136 C
ATOM 699 C THR A 42 -9.201 -11.812 -15.060 1.00 11.11 C
ANISOU 699 C THR A 42 2200 1198 822 141 103 18 C
ATOM 700 O THR A 42 -9.352 -11.668 -13.836 1.00 10.32 O
ANISOU 700 O THR A 42 2006 1185 729 -41 134 50 O
ATOM 701 CB THR A 42 -8.860 -10.006 -16.702 1.00 13.99 C
ANISOU 701 CB THR A 42 2604 1598 1113 536 736 344 C
ATOM 702 OG1 THR A 42 -8.227 -9.256 -15.652 1.00 16.13 O
ANISOU 702 OG1 THR A 42 2440 1729 1959 238 687 626 O
ATOM 703 CG2 THR A 42 -9.499 -9.054 -17.722 1.00 16.14 C
ANISOU 703 CG2 THR A 42 3119 1833 1180 923 639 406 C
ATOM 704 H THR A 42 -10.759 -9.366 -15.280 1.00 14.19 H
ATOM 705 HA THR A 42 -10.314 -11.483 -16.777 1.00 14.13 H
ATOM 706 HB THR A 42 -8.193 -10.529 -17.175 1.00 16.79 H
ATOM 707 HG1 THR A 42 -7.671 -8.718 -15.978 1.00 19.36 H
ATOM 708 HG21 THR A 42 -8.834 -8.434 -18.060 1.00 19.37 H
ATOM 709 HG22 THR A 42 -9.864 -9.559 -18.466 1.00 19.37 H
ATOM 710 HG23 THR A 42 -10.215 -8.550 -17.303 1.00 19.37 H
ATOM 711 N AGLU A 43 -8.395 -12.722 -15.590 0.64 10.59 N
ANISOU 711 N AGLU A 43 2137 1172 715 160 151 0 N
ATOM 712 N BGLU A 43 -8.380 -12.722 -15.585 0.36 11.45 N
ANISOU 712 N BGLU A 43 2226 1234 891 100 13 29 N
ATOM 713 CA AGLU A 43 -7.519 -13.504 -14.741 0.64 11.39 C
ANISOU 713 CA AGLU A 43 2321 1073 934 302 115 -43 C
ATOM 714 CA BGLU A 43 -7.510 -13.516 -14.730 0.36 12.33 C
ANISOU 714 CA BGLU A 43 2389 1216 1080 143 8 62 C
ATOM 715 C AGLU A 43 -6.628 -12.616 -13.888 0.64 9.69 C
ANISOU 715 C AGLU A 43 1710 1126 845 126 131 -99 C
ATOM 716 C BGLU A 43 -6.591 -12.634 -13.896 0.36 10.66 C
ANISOU 716 C BGLU A 43 1903 1250 898 20 136 -93 C
ATOM 717 O AGLU A 43 -6.320 -12.970 -12.748 0.64 9.69 O
ANISOU 717 O AGLU A 43 1748 1188 746 143 4 113 O
ATOM 718 O BGLU A 43 -6.214 -13.017 -12.783 0.36 10.46 O
ANISOU 718 O BGLU A 43 1871 1271 834 7 224 -156 O
ATOM 719 CB AGLU A 43 -6.654 -14.399 -15.612 0.64 11.63 C
ANISOU 719 CB AGLU A 43 2488 991 938 211 74 -313 C
ATOM 720 CB BGLU A 43 -6.674 -14.470 -15.582 0.36 14.03 C
ANISOU 720 CB BGLU A 43 2897 1154 1281 86 -32 28 C
ATOM 721 CG AGLU A 43 -5.643 -15.177 -14.823 0.64 16.19 C
ANISOU 721 CG AGLU A 43 3459 1090 1603 382 -93 -124 C
ATOM 722 CG BGLU A 43 -7.458 -15.622 -16.181 0.36 16.54 C
ANISOU 722 CG BGLU A 43 3499 1176 1611 73 -205 -103 C
ATOM 723 H AGLU A 43 -8.335 -12.903 -16.429 0.64 12.71 H
ATOM 724 H BGLU A 43 -8.308 -12.897 -16.424 0.36 13.75 H
ATOM 725 HA AGLU A 43 -8.057 -14.053 -14.149 0.64 13.67 H
ATOM 726 HA BGLU A 43 -8.060 -14.040 -14.127 0.36 14.80 H
ATOM 727 HB2AGLU A 43 -7.223 -15.032 -16.078 0.64 13.95 H
ATOM 728 HB2BGLU A 43 -6.283 -13.968 -16.314 0.36 16.84 H
ATOM 729 HB3AGLU A 43 -6.176 -13.849 -16.252 0.64 13.95 H
ATOM 730 HB3BGLU A 43 -5.974 -14.848 -15.027 0.36 16.84 H
ATOM 731 HG2AGLU A 43 -5.630 -16.092 -15.144 0.64 19.43 H
ATOM 732 HG2BGLU A 43 -7.358 -16.397 -15.606 0.36 19.85 H
ATOM 733 HG3AGLU A 43 -4.772 -14.767 -14.934 0.64 19.43 H
ATOM 734 HG3BGLU A 43 -8.392 -15.370 -16.235 0.36 19.85 H
ATOM 735 N ARG A 44 -6.205 -11.462 -14.409 1.00 10.46 N
ANISOU 735 N ARG A 44 1852 1320 801 -29 185 -33 N
ATOM 736 CA ARG A 44 -5.339 -10.574 -13.637 1.00 8.99 C
ANISOU 736 CA ARG A 44 1545 1048 821 70 147 31 C
ATOM 737 C ARG A 44 -6.046 -10.077 -12.380 1.00 8.76 C
ANISOU 737 C ARG A 44 1428 1051 848 -18 278 -72 C
ATOM 738 O ARG A 44 -5.482 -10.097 -11.272 1.00 8.98 O
ANISOU 738 O ARG A 44 1427 1267 719 60 105 -164 O
ATOM 739 CB ARG A 44 -4.878 -9.404 -14.507 1.00 10.42 C
ANISOU 739 CB ARG A 44 1675 1155 1129 52 395 -56 C
ATOM 740 CG ARG A 44 -3.955 -9.842 -15.642 1.00 10.56 C
ANISOU 740 CG ARG A 44 1824 1238 949 129 505 -59 C
ATOM 741 CD ARG A 44 -3.677 -8.720 -16.640 1.00 11.42 C
ANISOU 741 CD ARG A 44 2007 1301 1031 192 571 77 C
ATOM 742 NE ARG A 44 -2.956 -7.604 -16.044 1.00 10.85 N
ANISOU 742 NE ARG A 44 1751 1305 1065 163 481 -9 N
ATOM 743 CZ ARG A 44 -1.641 -7.574 -15.865 1.00 12.02 C
ANISOU 743 CZ ARG A 44 1765 1422 1380 207 331 -227 C
ATOM 744 NH1 ARG A 44 -0.884 -8.594 -16.256 1.00 13.34 N
ANISOU 744 NH1 ARG A 44 1833 1705 1531 475 24 -399 N
ATOM 745 NH2 ARG A 44 -1.082 -6.512 -15.305 1.00 13.97 N
ANISOU 745 NH2 ARG A 44 2005 1439 1862 95 306 -393 N
ATOM 746 H ARG A 44 -6.401 -11.174 -15.195 1.00 12.55 H
ATOM 747 HA ARG A 44 -4.551 -11.066 -13.360 1.00 10.79 H
ATOM 748 HB2 ARG A 44 -5.655 -8.977 -14.900 1.00 12.50 H
ATOM 749 HB3 ARG A 44 -4.394 -8.771 -13.954 1.00 12.50 H
ATOM 750 HG2 ARG A 44 -3.106 -10.128 -15.268 1.00 12.67 H
ATOM 751 HG3 ARG A 44 -4.369 -10.575 -16.123 1.00 12.67 H
ATOM 752 HD2 ARG A 44 -3.139 -9.069 -17.368 1.00 13.70 H
ATOM 753 HD3 ARG A 44 -4.520 -8.384 -16.982 1.00 13.70 H
ATOM 754 HE ARG A 44 -3.412 -6.920 -15.791 1.00 13.02 H
ATOM 755 HH11 ARG A 44 -1.246 -9.280 -16.628 1.00 16.01 H
ATOM 756 HH12 ARG A 44 -0.032 -8.568 -16.138 1.00 16.01 H
ATOM 757 HH21 ARG A 44 -1.571 -5.848 -15.059 1.00 16.76 H
ATOM 758 HH22 ARG A 44 -0.231 -6.486 -15.186 1.00 16.76 H
ATOM 759 N LEU A 45 -7.298 -9.643 -12.523 1.00 8.03 N
ANISOU 759 N LEU A 45 1371 943 738 72 90 -31 N
ATOM 760 CA LEU A 45 -8.066 -9.217 -11.357 1.00 8.19 C
ANISOU 760 CA LEU A 45 1385 856 872 92 163 -79 C
ATOM 761 C LEU A 45 -8.321 -10.379 -10.406 1.00 7.61 C
ANISOU 761 C LEU A 45 1295 905 691 44 227 188 C
ATOM 762 O LEU A 45 -8.202 -10.239 -9.186 1.00 7.97 O
ANISOU 762 O LEU A 45 1395 947 688 76 190 11 O
ATOM 763 CB LEU A 45 -9.394 -8.617 -11.807 1.00 9.71 C
ANISOU 763 CB LEU A 45 1640 1022 1027 5 332 279 C
ATOM 764 CG LEU A 45 -10.282 -8.148 -10.652 1.00 10.75 C
ANISOU 764 CG LEU A 45 1696 1035 1352 53 332 327 C
ATOM 765 CD1 LEU A 45 -9.591 -7.119 -9.770 1.00 11.29 C
ANISOU 765 CD1 LEU A 45 1810 1012 1468 141 572 102 C
ATOM 766 CD2 LEU A 45 -11.613 -7.612 -11.178 1.00 13.30 C
ANISOU 766 CD2 LEU A 45 1796 1563 1693 199 343 292 C
ATOM 767 H LEU A 45 -7.720 -9.585 -13.270 1.00 9.64 H
ATOM 768 HA LEU A 45 -7.559 -8.540 -10.882 1.00 9.83 H
ATOM 769 HB2 LEU A 45 -9.213 -7.850 -12.372 1.00 11.65 H
ATOM 770 HB3 LEU A 45 -9.886 -9.288 -12.305 1.00 11.65 H
ATOM 771 HG LEU A 45 -10.464 -8.916 -10.088 1.00 12.90 H
ATOM 772 HD11 LEU A 45 -10.241 -6.740 -9.158 1.00 13.55 H
ATOM 773 HD12 LEU A 45 -8.883 -7.556 -9.272 1.00 13.55 H
ATOM 774 HD13 LEU A 45 -9.219 -6.421 -10.332 1.00 13.55 H
ATOM 775 HD21 LEU A 45 -12.151 -7.313 -10.429 1.00 15.96 H
ATOM 776 HD22 LEU A 45 -11.439 -6.870 -11.778 1.00 15.96 H
ATOM 777 HD23 LEU A 45 -12.073 -8.321 -11.654 1.00 15.96 H
ATOM 778 N LYS A 46 -8.704 -11.528 -10.949 1.00 8.33 N
ANISOU 778 N LYS A 46 1642 807 717 -101 240 -35 N
ATOM 779 CA LYS A 46 -9.037 -12.676 -10.118 1.00 8.90 C
ANISOU 779 CA LYS A 46 1467 815 1102 -20 210 70 C
ATOM 780 C LYS A 46 -7.846 -13.100 -9.277 1.00 8.06 C
ANISOU 780 C LYS A 46 1444 810 807 118 322 19 C
ATOM 781 O LYS A 46 -7.993 -13.366 -8.078 1.00 9.51 O
ANISOU 781 O LYS A 46 1811 1164 640 -50 282 112 O
ATOM 782 CB LYS A 46 -9.540 -13.808 -11.011 1.00 8.91 C
ANISOU 782 CB LYS A 46 1567 810 1007 -23 153 -1 C
ATOM 783 CG LYS A 46 -10.941 -13.560 -11.547 1.00 9.63 C
ANISOU 783 CG LYS A 46 1554 1016 1089 -135 258 -65 C
ATOM 784 CD LYS A 46 -11.296 -14.454 -12.720 1.00 9.34 C
ANISOU 784 CD LYS A 46 1569 1143 838 -79 235 -106 C
ATOM 785 CE LYS A 46 -12.756 -14.277 -13.074 1.00 11.17 C
ANISOU 785 CE LYS A 46 1702 1431 1111 -193 214 -197 C
ATOM 786 NZ LYS A 46 -13.167 -15.107 -14.233 1.00 12.55 N
ANISOU 786 NZ LYS A 46 1778 1751 1241 -220 -31 -268 N
ATOM 787 H LYS A 46 -8.781 -11.672 -11.794 1.00 10.00 H
ATOM 788 HA LYS A 46 -9.750 -12.448 -9.501 1.00 10.69 H
ATOM 789 HB2 LYS A 46 -8.941 -13.901 -11.769 1.00 10.69 H
ATOM 790 HB3 LYS A 46 -9.556 -14.631 -10.498 1.00 10.69 H
ATOM 791 HG2 LYS A 46 -11.583 -13.727 -10.839 1.00 11.56 H
ATOM 792 HG3 LYS A 46 -11.006 -12.639 -11.844 1.00 11.56 H
ATOM 793 HD2 LYS A 46 -10.757 -14.215 -13.490 1.00 11.21 H
ATOM 794 HD3 LYS A 46 -11.142 -15.382 -12.484 1.00 11.21 H
ATOM 795 HE2 LYS A 46 -13.300 -14.534 -12.312 1.00 13.40 H
ATOM 796 HE3 LYS A 46 -12.917 -13.347 -13.297 1.00 13.40 H
ATOM 797 HZ1 LYS A 46 -12.687 -14.887 -14.950 1.00 15.07 H
ATOM 798 HZ2 LYS A 46 -13.037 -15.969 -14.052 1.00 15.07 H
ATOM 799 HZ3 LYS A 46 -14.029 -14.976 -14.411 1.00 15.07 H
ATOM 800 N ARG A 47 -6.649 -13.146 -9.873 1.00 8.68 N
ANISOU 800 N ARG A 47 1605 958 734 160 196 124 N
ATOM 801 CA ARG A 47 -5.482 -13.557 -9.098 1.00 9.59 C
ANISOU 801 CA ARG A 47 1661 1196 786 306 405 26 C
ATOM 802 C ARG A 47 -5.133 -12.518 -8.043 1.00 8.77 C
ANISOU 802 C ARG A 47 1385 1016 932 170 333 -5 C
ATOM 803 O ARG A 47 -4.776 -12.872 -6.917 1.00 9.32 O
ANISOU 803 O ARG A 47 1780 1001 760 198 51 177 O
ATOM 804 CB ARG A 47 -4.300 -13.871 -10.010 1.00 13.26 C
ANISOU 804 CB ARG A 47 2022 1785 1231 349 -53 -199 C
ATOM 805 CG ARG A 47 -3.698 -12.738 -10.773 1.00 18.91 C
ANISOU 805 CG ARG A 47 3233 2238 1713 243 -98 -457 C
ATOM 806 CD ARG A 47 -2.806 -13.325 -11.874 1.00 21.28 C
ANISOU 806 CD ARG A 47 3702 2457 1929 250 -141 -339 C
ATOM 807 NE ARG A 47 -2.075 -12.303 -12.617 1.00 21.05 N
ANISOU 807 NE ARG A 47 3421 2441 2135 294 269 -53 N
ATOM 808 CZ ARG A 47 -1.552 -12.476 -13.827 1.00 24.55 C
ANISOU 808 CZ ARG A 47 4201 2551 2574 592 206 242 C
ATOM 809 NH1 ARG A 47 -1.679 -13.638 -14.448 1.00 25.94 N
ANISOU 809 NH1 ARG A 47 4607 2596 2651 902 846 45 N
ATOM 810 NH2 ARG A 47 -0.904 -11.482 -14.416 1.00 27.59 N
ANISOU 810 NH2 ARG A 47 4750 2694 3039 456 -60 225 N
ATOM 811 H ARG A 47 -6.492 -12.950 -10.696 1.00 10.42 H
ATOM 812 HA ARG A 47 -5.690 -14.383 -8.634 1.00 11.51 H
ATOM 813 HB2 ARG A 47 -3.594 -14.246 -9.461 1.00 15.91 H
ATOM 814 HB3 ARG A 47 -4.595 -14.524 -10.664 1.00 15.91 H
ATOM 815 HG2 ARG A 47 -4.395 -12.201 -11.180 1.00 22.69 H
ATOM 816 HG3 ARG A 47 -3.157 -12.188 -10.184 1.00 22.69 H
ATOM 817 HD2 ARG A 47 -2.157 -13.922 -11.470 1.00 25.54 H
ATOM 818 HD3 ARG A 47 -3.360 -13.813 -12.503 1.00 25.54 H
ATOM 819 HE ARG A 47 -1.975 -11.534 -12.246 1.00 25.26 H
ATOM 820 HH11 ARG A 47 -2.102 -14.284 -14.069 1.00 31.12 H
ATOM 821 HH12 ARG A 47 -1.340 -13.746 -15.231 1.00 31.12 H
ATOM 822 HH21 ARG A 47 -0.822 -10.726 -14.016 1.00 33.11 H
ATOM 823 HH22 ARG A 47 -0.566 -11.594 -15.199 1.00 33.11 H
ATOM 824 N PHE A 48 -5.274 -11.233 -8.368 1.00 8.23 N
ANISOU 824 N PHE A 48 1286 1022 818 170 282 61 N
ATOM 825 CA PHE A 48 -5.007 -10.200 -7.373 1.00 8.34 C
ANISOU 825 CA PHE A 48 1247 1086 837 120 249 115 C
ATOM 826 C PHE A 48 -5.947 -10.345 -6.178 1.00 7.63 C
ANISOU 826 C PHE A 48 1230 921 749 9 142 -35 C
ATOM 827 O PHE A 48 -5.520 -10.263 -5.018 1.00 8.14 O
ANISOU 827 O PHE A 48 1289 1102 702 7 198 -3 O
ATOM 828 CB PHE A 48 -5.161 -8.818 -8.012 1.00 8.72 C
ANISOU 828 CB PHE A 48 1254 1147 910 49 291 86 C
ATOM 829 CG PHE A 48 -4.726 -7.705 -7.112 1.00 8.78 C
ANISOU 829 CG PHE A 48 1315 1008 1013 188 134 173 C
ATOM 830 CD1 PHE A 48 -3.442 -7.198 -7.204 1.00 10.76 C
ANISOU 830 CD1 PHE A 48 1680 1123 1285 60 82 90 C
ATOM 831 CD2 PHE A 48 -5.586 -7.175 -6.168 1.00 9.76 C
ANISOU 831 CD2 PHE A 48 1597 1044 1068 105 263 -41 C
ATOM 832 CE1 PHE A 48 -3.023 -6.175 -6.374 1.00 12.83 C
ANISOU 832 CE1 PHE A 48 1930 1263 1682 -128 48 83 C
ATOM 833 CE2 PHE A 48 -5.168 -6.149 -5.323 1.00 12.29 C
ANISOU 833 CE2 PHE A 48 2099 1214 1355 291 118 36 C
ATOM 834 CZ PHE A 48 -3.885 -5.665 -5.421 1.00 12.72 C
ANISOU 834 CZ PHE A 48 2176 1188 1469 34 27 -15 C
ATOM 835 H PHE A 48 -5.517 -10.939 -9.139 1.00 9.87 H
ATOM 836 HA PHE A 48 -4.095 -10.287 -7.056 1.00 10.02 H
ATOM 837 HB2 PHE A 48 -4.620 -8.781 -8.816 1.00 10.46 H
ATOM 838 HB3 PHE A 48 -6.094 -8.677 -8.233 1.00 10.46 H
ATOM 839 HD1 PHE A 48 -2.854 -7.549 -7.832 1.00 12.91 H
ATOM 840 HD2 PHE A 48 -6.452 -7.506 -6.096 1.00 11.72 H
ATOM 841 HE1 PHE A 48 -2.163 -5.831 -6.456 1.00 15.40 H
ATOM 842 HE2 PHE A 48 -5.754 -5.792 -4.696 1.00 14.75 H
ATOM 843 HZ PHE A 48 -3.596 -4.994 -4.846 1.00 15.27 H
ATOM 844 N LEU A 49 -7.233 -10.585 -6.439 1.00 7.65 N
ANISOU 844 N LEU A 49 1225 898 783 34 144 -119 N
ATOM 845 CA LEU A 49 -8.209 -10.695 -5.362 1.00 7.79 C
ANISOU 845 CA LEU A 49 1234 954 770 -178 278 -41 C
ATOM 846 C LEU A 49 -8.016 -11.971 -4.552 1.00 8.06 C
ANISOU 846 C LEU A 49 1385 921 755 -49 232 0 C
ATOM 847 O LEU A 49 -8.189 -11.956 -3.329 1.00 8.77 O
ANISOU 847 O LEU A 49 1578 1113 643 4 244 133 O
ATOM 848 CB LEU A 49 -9.623 -10.620 -5.939 1.00 8.56 C
ANISOU 848 CB LEU A 49 1296 1220 735 2 402 -9 C
ATOM 849 CG LEU A 49 -10.027 -9.256 -6.499 1.00 10.01 C
ANISOU 849 CG LEU A 49 1474 1197 1131 129 346 263 C
ATOM 850 CD1 LEU A 49 -11.405 -9.336 -7.121 1.00 12.33 C
ANISOU 850 CD1 LEU A 49 1755 1454 1474 93 350 507 C
ATOM 851 CD2 LEU A 49 -9.985 -8.162 -5.456 1.00 11.19 C
ANISOU 851 CD2 LEU A 49 1470 1353 1427 178 304 66 C
ATOM 852 H LEU A 49 -7.564 -10.688 -7.226 1.00 9.18 H
ATOM 853 HA LEU A 49 -8.091 -9.949 -4.753 1.00 9.35 H
ATOM 854 HB2 LEU A 49 -9.692 -11.263 -6.662 1.00 10.27 H
ATOM 855 HB3 LEU A 49 -10.252 -10.843 -5.235 1.00 10.27 H
ATOM 856 HG LEU A 49 -9.381 -9.014 -7.180 1.00 12.01 H
ATOM 857 HD11 LEU A 49 -11.644 -8.464 -7.471 1.00 14.79 H
ATOM 858 HD12 LEU A 49 -11.389 -9.988 -7.839 1.00 14.79 H
ATOM 859 HD13 LEU A 49 -12.043 -9.606 -6.443 1.00 14.79 H
ATOM 860 HD21 LEU A 49 -10.402 -7.364 -5.819 1.00 13.43 H
ATOM 861 HD22 LEU A 49 -10.467 -8.458 -4.668 1.00 13.43 H
ATOM 862 HD23 LEU A 49 -9.060 -7.978 -5.229 1.00 13.43 H
ATOM 863 N GLU A 50 -7.641 -13.078 -5.203 1.00 9.10 N
ANISOU 863 N GLU A 50 1663 1061 736 5 171 205 N
ATOM 864 CA GLU A 50 -7.356 -14.301 -4.461 1.00 9.88 C
ANISOU 864 CA GLU A 50 1722 1170 864 -7 232 -213 C
ATOM 865 C GLU A 50 -6.204 -14.094 -3.491 1.00 9.09 C
ANISOU 865 C GLU A 50 1549 1060 845 77 135 -62 C
ATOM 866 O GLU A 50 -6.257 -14.545 -2.341 1.00 9.84 O
ANISOU 866 O GLU A 50 1914 1128 698 108 131 157 O
ATOM 867 CB GLU A 50 -6.989 -15.420 -5.429 1.00 15.24 C
ANISOU 867 CB GLU A 50 2394 1645 1751 50 489 866 C
ATOM 868 CG GLU A 50 -8.127 -15.987 -6.230 1.00 22.02 C
ANISOU 868 CG GLU A 50 3078 2518 2771 -24 492 868 C
ATOM 869 CD GLU A 50 -7.676 -17.152 -7.091 1.00 27.70 C
ANISOU 869 CD GLU A 50 3778 3216 3530 -53 99 40 C
ATOM 870 OE1 GLU A 50 -6.537 -17.636 -6.896 1.00 29.35 O
ANISOU 870 OE1 GLU A 50 4158 3140 3852 51 388 -551 O
ATOM 871 OE2 GLU A 50 -8.460 -17.590 -7.954 1.00 30.80 O
ANISOU 871 OE2 GLU A 50 4190 3652 3861 -331 113 -243 O
ATOM 872 H GLU A 50 -7.546 -13.144 -6.055 1.00 10.93 H
ATOM 873 HA GLU A 50 -8.152 -14.553 -3.967 1.00 11.86 H
ATOM 874 HB2 GLU A 50 -6.336 -15.075 -6.059 1.00 18.29 H
ATOM 875 HB3 GLU A 50 -6.604 -16.149 -4.918 1.00 18.29 H
ATOM 876 HG2 GLU A 50 -8.818 -16.303 -5.627 1.00 26.43 H
ATOM 877 HG3 GLU A 50 -8.485 -15.298 -6.812 1.00 26.43 H
ATOM 878 N GLU A 51 -5.146 -13.427 -3.951 1.00 9.17 N
ANISOU 878 N GLU A 51 1580 1082 822 40 126 -55 N
ATOM 879 CA GLU A 51 -3.977 -13.177 -3.117 1.00 9.87 C
ANISOU 879 CA GLU A 51 1631 1208 913 -8 232 53 C
ATOM 880 C GLU A 51 -4.309 -12.212 -1.986 1.00 9.30 C
ANISOU 880 C GLU A 51 1648 1092 792 44 145 48 C
ATOM 881 O GLU A 51 -3.883 -12.411 -0.840 1.00 10.08 O
ANISOU 881 O GLU A 51 1610 1367 852 139 38 -75 O
ATOM 882 CB GLU A 51 -2.842 -12.649 -4.002 1.00 11.74 C
ANISOU 882 CB GLU A 51 1582 1692 1188 -52 154 -130 C
ATOM 883 CG GLU A 51 -2.181 -13.722 -4.861 1.00 17.04 C
ANISOU 883 CG GLU A 51 2299 2194 1981 156 181 61 C
ATOM 884 H GLU A 51 -5.078 -13.106 -4.747 1.00 11.01 H
ATOM 885 HA GLU A 51 -3.675 -14.001 -2.705 1.00 11.85 H
ATOM 886 HB2 GLU A 51 -3.200 -11.972 -4.597 1.00 14.09 H
ATOM 887 HB3 GLU A 51 -2.158 -12.262 -3.433 1.00 14.09 H
ATOM 888 HG2 GLU A 51 -2.836 -14.407 -5.071 1.00 20.45 H
ATOM 889 HG3 GLU A 51 -1.851 -13.317 -5.679 1.00 20.45 H
ATOM 890 N LEU A 52 -5.083 -11.169 -2.282 1.00 9.23 N
ANISOU 890 N LEU A 52 1612 1218 678 106 189 18 N
ATOM 891 CA LEU A 52 -5.501 -10.237 -1.239 1.00 9.18 C
ANISOU 891 CA LEU A 52 1499 1033 958 -7 178 -33 C
ATOM 892 C LEU A 52 -6.310 -10.947 -0.159 1.00 8.27 C
ANISOU 892 C LEU A 52 1699 894 551 51 295 140 C
ATOM 893 O LEU A 52 -6.071 -10.762 1.042 1.00 9.71 O
ANISOU 893 O LEU A 52 1721 1199 769 24 165 100 O
ATOM 894 CB LEU A 52 -6.322 -9.119 -1.873 1.00 10.43 C
ANISOU 894 CB LEU A 52 1790 1104 1070 204 361 56 C
ATOM 895 CG LEU A 52 -6.914 -8.095 -0.919 1.00 13.15 C
ANISOU 895 CG LEU A 52 2602 1196 1199 281 642 -243 C
ATOM 896 CD1 LEU A 52 -5.831 -7.385 -0.121 1.00 17.11 C
ANISOU 896 CD1 LEU A 52 3202 1268 2030 -27 578 -490 C
ATOM 897 CD2 LEU A 52 -7.733 -7.109 -1.722 1.00 14.60 C
ANISOU 897 CD2 LEU A 52 2942 1243 1362 588 747 109 C
ATOM 898 H LEU A 52 -5.376 -10.979 -3.068 1.00 11.08 H
ATOM 899 HA LEU A 52 -4.717 -9.852 -0.818 1.00 11.02 H
ATOM 900 HB2 LEU A 52 -5.750 -8.637 -2.491 1.00 12.52 H
ATOM 901 HB3 LEU A 52 -7.062 -9.523 -2.353 1.00 12.52 H
ATOM 902 HG LEU A 52 -7.484 -8.537 -0.271 1.00 15.78 H
ATOM 903 HD11 LEU A 52 -6.234 -6.663 0.386 1.00 20.53 H
ATOM 904 HD12 LEU A 52 -5.415 -8.021 0.482 1.00 20.53 H
ATOM 905 HD13 LEU A 52 -5.169 -7.029 -0.734 1.00 20.53 H
ATOM 906 HD21 LEU A 52 -8.120 -6.455 -1.120 1.00 17.52 H
ATOM 907 HD22 LEU A 52 -7.155 -6.667 -2.364 1.00 17.52 H
ATOM 908 HD23 LEU A 52 -8.437 -7.588 -2.187 1.00 17.52 H
ATOM 909 N ARG A 53 -7.277 -11.766 -0.570 1.00 8.51 N
ANISOU 909 N ARG A 53 1570 961 702 -28 133 -50 N
ATOM 910 CA ARG A 53 -8.087 -12.495 0.396 1.00 8.35 C
ANISOU 910 CA ARG A 53 1564 917 691 -29 71 -74 C
ATOM 911 C ARG A 53 -7.225 -13.410 1.257 1.00 9.38 C
ANISOU 911 C ARG A 53 1760 950 853 33 140 108 C
ATOM 912 O ARG A 53 -7.393 -13.461 2.478 1.00 9.38 O
ANISOU 912 O ARG A 53 1662 1182 720 -105 158 112 O
ATOM 913 CB ARG A 53 -9.179 -13.279 -0.333 1.00 9.35 C
ANISOU 913 CB ARG A 53 1698 1085 769 -90 206 60 C
ATOM 914 CG ARG A 53 -10.001 -14.146 0.613 1.00 9.55 C
ANISOU 914 CG ARG A 53 1546 1237 846 -226 41 35 C
ATOM 915 CD ARG A 53 -11.222 -14.736 -0.040 1.00 9.68 C
ANISOU 915 CD ARG A 53 1537 1171 972 -38 152 -97 C
ATOM 916 NE ARG A 53 -10.835 -15.722 -1.044 1.00 9.94 N
ANISOU 916 NE ARG A 53 1587 1048 1140 -93 -12 -31 N
ATOM 917 CZ ARG A 53 -11.680 -16.321 -1.873 1.00 10.10 C
ANISOU 917 CZ ARG A 53 1842 1053 944 -60 256 -105 C
ATOM 918 NH1 ARG A 53 -12.970 -16.043 -1.841 1.00 10.73 N
ANISOU 918 NH1 ARG A 53 1833 1250 993 -51 159 -150 N
ATOM 919 NH2 ARG A 53 -11.227 -17.209 -2.742 1.00 11.89 N
ANISOU 919 NH2 ARG A 53 1973 1284 1261 55 54 -178 N
ATOM 920 H ARG A 53 -7.483 -11.915 -1.392 1.00 10.21 H
ATOM 921 HA ARG A 53 -8.523 -11.865 0.990 1.00 10.02 H
ATOM 922 HB2 ARG A 53 -9.780 -12.654 -0.769 1.00 11.22 H
ATOM 923 HB3 ARG A 53 -8.767 -13.858 -0.992 1.00 11.22 H
ATOM 924 HG2 ARG A 53 -9.449 -14.878 0.930 1.00 11.46 H
ATOM 925 HG3 ARG A 53 -10.295 -13.604 1.362 1.00 11.46 H
ATOM 926 HD2 ARG A 53 -11.769 -15.174 0.630 1.00 11.62 H
ATOM 927 HD3 ARG A 53 -11.730 -14.033 -0.475 1.00 11.62 H
ATOM 928 HE ARG A 53 -10.003 -15.929 -1.102 1.00 11.93 H
ATOM 929 HH11 ARG A 53 -13.271 -15.467 -1.278 1.00 12.87 H
ATOM 930 HH12 ARG A 53 -13.509 -16.437 -2.383 1.00 12.87 H
ATOM 931 HH21 ARG A 53 -10.388 -17.396 -2.768 1.00 14.27 H
ATOM 932 HH22 ARG A 53 -11.772 -17.600 -3.281 1.00 14.27 H
ATOM 933 N GLN A 54 -6.278 -14.120 0.645 1.00 9.12 N
ANISOU 933 N GLN A 54 1680 988 797 223 73 70 N
ATOM 934 CA GLN A 54 -5.447 -15.036 1.423 1.00 10.08 C
ANISOU 934 CA GLN A 54 1810 1075 944 371 190 83 C
ATOM 935 C GLN A 54 -4.622 -14.283 2.460 1.00 10.15 C
ANISOU 935 C GLN A 54 1628 1295 934 316 67 -8 C
ATOM 936 O GLN A 54 -4.512 -14.709 3.621 1.00 11.32 O
ANISOU 936 O GLN A 54 1929 1415 956 191 -62 187 O
ATOM 937 CB GLN A 54 -4.547 -15.805 0.468 1.00 12.57 C
ANISOU 937 CB GLN A 54 2309 1281 1185 440 66 49 C
ATOM 938 CG GLN A 54 -3.833 -16.959 1.097 1.00 17.71 C
ANISOU 938 CG GLN A 54 2942 2113 1675 597 -74 41 C
ATOM 939 CD GLN A 54 -3.137 -17.793 0.059 1.00 26.43 C
ANISOU 939 CD GLN A 54 4296 2781 2965 843 44 -44 C
ATOM 940 OE1 GLN A 54 -3.784 -18.435 -0.764 1.00 27.66 O
ANISOU 940 OE1 GLN A 54 5007 2902 2601 1022 -315 -309 O
ATOM 941 NE2 GLN A 54 -1.811 -17.774 0.074 1.00 32.38 N
ANISOU 941 NE2 GLN A 54 4964 3219 4121 540 439 -17 N
ATOM 942 H GLN A 54 -6.098 -14.092 -0.196 1.00 10.94 H
ATOM 943 HA GLN A 54 -6.008 -15.667 1.901 1.00 12.10 H
ATOM 944 HB2 GLN A 54 -5.090 -16.155 -0.256 1.00 15.08 H
ATOM 945 HB3 GLN A 54 -3.876 -15.199 0.117 1.00 15.08 H
ATOM 946 HG2 GLN A 54 -3.168 -16.625 1.719 1.00 21.26 H
ATOM 947 HG3 GLN A 54 -4.472 -17.519 1.564 1.00 21.26 H
ATOM 948 HE21 GLN A 54 -1.395 -17.300 0.657 1.00 38.86 H
ATOM 949 HE22 GLN A 54 -1.369 -18.236 -0.501 1.00 38.86 H
ATOM 950 N LYS A 55 -4.045 -13.155 2.060 1.00 10.37 N
ANISOU 950 N LYS A 55 1527 1326 1087 180 -1 131 N
ATOM 951 CA LYS A 55 -3.208 -12.371 2.957 1.00 11.06 C
ANISOU 951 CA LYS A 55 1499 1524 1178 121 -31 -29 C
ATOM 952 C LYS A 55 -4.010 -11.836 4.136 1.00 10.41 C
ANISOU 952 C LYS A 55 1772 1250 934 229 78 -43 C
ATOM 953 O LYS A 55 -3.538 -11.859 5.278 1.00 12.54 O
ANISOU 953 O LYS A 55 2103 1588 1073 154 -216 43 O
ATOM 954 CB LYS A 55 -2.603 -11.216 2.158 1.00 14.34 C
ANISOU 954 CB LYS A 55 1787 1998 1661 -358 348 -210 C
ATOM 955 CG LYS A 55 -1.641 -10.326 2.909 1.00 19.24 C
ANISOU 955 CG LYS A 55 2848 2223 2238 -686 339 236 C
ATOM 956 H LYS A 55 -4.122 -12.818 1.273 1.00 12.45 H
ATOM 957 HA LYS A 55 -2.497 -12.925 3.315 1.00 13.27 H
ATOM 958 HB2 LYS A 55 -2.119 -11.589 1.405 1.00 17.20 H
ATOM 959 HB3 LYS A 55 -3.327 -10.654 1.842 1.00 17.20 H
ATOM 960 N LEU A 56 -5.234 -11.366 3.890 1.00 9.29 N
ANISOU 960 N LEU A 56 1784 1025 720 184 68 -180 N
ATOM 961 CA LEU A 56 -6.035 -10.780 4.959 1.00 9.99 C
ANISOU 961 CA LEU A 56 1866 1048 882 27 -10 57 C
ATOM 962 C LEU A 56 -6.693 -11.844 5.834 1.00 9.47 C
ANISOU 962 C LEU A 56 1916 1058 623 77 9 145 C
ATOM 963 O LEU A 56 -6.787 -11.672 7.055 1.00 10.40 O
ANISOU 963 O LEU A 56 2140 1182 629 -25 57 -3 O
ATOM 964 CB LEU A 56 -7.085 -9.831 4.378 1.00 10.73 C
ANISOU 964 CB LEU A 56 2069 1053 957 -71 274 -30 C
ATOM 965 CG LEU A 56 -6.516 -8.521 3.839 1.00 13.31 C
ANISOU 965 CG LEU A 56 2458 1203 1395 -139 144 98 C
ATOM 966 CD1 LEU A 56 -7.596 -7.686 3.150 1.00 13.86 C
ANISOU 966 CD1 LEU A 56 2428 1134 1705 392 550 140 C
ATOM 967 CD2 LEU A 56 -5.846 -7.689 4.912 1.00 17.44 C
ANISOU 967 CD2 LEU A 56 3015 1598 2014 -546 -153 209 C
ATOM 968 H LEU A 56 -5.620 -11.375 3.122 1.00 11.15 H
ATOM 969 HA LEU A 56 -5.448 -10.258 5.528 1.00 11.99 H
ATOM 970 HB2 LEU A 56 -7.536 -10.280 3.645 1.00 12.88 H
ATOM 971 HB3 LEU A 56 -7.723 -9.611 5.075 1.00 12.88 H
ATOM 972 HG LEU A 56 -5.839 -8.763 3.188 1.00 15.97 H
ATOM 973 HD11 LEU A 56 -7.183 -6.905 2.749 1.00 16.64 H
ATOM 974 HD12 LEU A 56 -8.022 -8.224 2.465 1.00 16.64 H
ATOM 975 HD13 LEU A 56 -8.251 -7.411 3.810 1.00 16.64 H
ATOM 976 HD21 LEU A 56 -6.043 -6.752 4.755 1.00 20.93 H
ATOM 977 HD22 LEU A 56 -6.187 -7.958 5.779 1.00 20.93 H
ATOM 978 HD23 LEU A 56 -4.888 -7.836 4.873 1.00 20.93 H
ATOM 979 N GLU A 57 -7.155 -12.951 5.250 1.00 9.90 N
ANISOU 979 N GLU A 57 1927 1127 709 -133 147 -79 N
ATOM 980 CA GLU A 57 -7.726 -14.004 6.078 1.00 10.20 C
ANISOU 980 CA GLU A 57 2026 974 876 -12 47 90 C
ATOM 981 C GLU A 57 -6.690 -14.560 7.045 1.00 10.62 C
ANISOU 981 C GLU A 57 2010 1187 840 228 -87 28 C
ATOM 982 O GLU A 57 -7.035 -14.941 8.167 1.00 12.04 O
ANISOU 982 O GLU A 57 2300 1466 809 12 -96 284 O
ATOM 983 CB GLU A 57 -8.312 -15.103 5.194 1.00 11.02 C
ANISOU 983 CB GLU A 57 2268 939 980 -52 240 125 C
ATOM 984 CG GLU A 57 -9.640 -14.728 4.548 1.00 11.39 C
ANISOU 984 CG GLU A 57 2225 1200 903 46 204 109 C
ATOM 985 CD GLU A 57 -10.264 -15.856 3.749 1.00 12.79 C
ANISOU 985 CD GLU A 57 2006 1533 1321 161 71 -237 C
ATOM 986 OE1 GLU A 57 -9.595 -16.884 3.542 1.00 16.12 O
ANISOU 986 OE1 GLU A 57 2199 1721 2204 309 -313 -603 O
ATOM 987 OE2 GLU A 57 -11.437 -15.728 3.344 1.00 12.48 O
ANISOU 987 OE2 GLU A 57 1974 1652 1115 5 249 -260 O
ATOM 988 H GLU A 57 -7.149 -13.111 4.405 1.00 11.89 H
ATOM 989 HA GLU A 57 -8.457 -13.645 6.605 1.00 12.24 H
ATOM 990 HB2 GLU A 57 -7.682 -15.301 4.484 1.00 13.23 H
ATOM 991 HB3 GLU A 57 -8.459 -15.894 5.736 1.00 13.23 H
ATOM 992 HG2 GLU A 57 -10.267 -14.476 5.244 1.00 13.67 H
ATOM 993 HG3 GLU A 57 -9.495 -13.982 3.945 1.00 13.67 H
ATOM 994 N LYS A 58 -5.415 -14.589 6.647 1.00 11.51 N
ANISOU 994 N LYS A 58 2265 1295 814 459 -13 72 N
ATOM 995 CA LYS A 58 -4.371 -15.076 7.539 1.00 12.71 C
ANISOU 995 CA LYS A 58 2072 1593 1163 511 -29 -42 C
ATOM 996 C LYS A 58 -4.246 -14.212 8.781 1.00 12.48 C
ANISOU 996 C LYS A 58 2214 1735 793 342 70 66 C
ATOM 997 O LYS A 58 -3.788 -14.689 9.822 1.00 15.45 O
ANISOU 997 O LYS A 58 2778 2010 1081 628 -24 66 O
ATOM 998 CB LYS A 58 -3.033 -15.096 6.807 1.00 18.15 C
ANISOU 998 CB LYS A 58 2641 2113 2141 1147 177 -409 C
ATOM 999 CG LYS A 58 -1.881 -15.562 7.662 1.00 22.09 C
ANISOU 999 CG LYS A 58 2947 2649 2799 1159 -79 -153 C
ATOM 1000 H LYS A 58 -5.133 -14.335 5.875 1.00 13.82 H
ATOM 1001 HA LYS A 58 -4.597 -15.979 7.811 1.00 15.25 H
ATOM 1002 HB2 LYS A 58 -3.101 -15.697 6.049 1.00 21.78 H
ATOM 1003 HB3 LYS A 58 -2.831 -14.198 6.501 1.00 21.78 H
ATOM 1004 N LYS A 59 -4.611 -12.942 8.681 1.00 10.96 N
ANISOU 1004 N LYS A 59 1724 1628 813 336 -6 25 N
ATOM 1005 CA LYS A 59 -4.587 -12.019 9.803 1.00 11.62 C
ANISOU 1005 CA LYS A 59 1635 1772 1007 151 -51 -141 C
ATOM 1006 C LYS A 59 -5.907 -11.982 10.559 1.00 10.66 C
ANISOU 1006 C LYS A 59 1610 1648 793 242 -92 21 C
ATOM 1007 O LYS A 59 -6.022 -11.231 11.533 1.00 11.65 O
ANISOU 1007 O LYS A 59 1718 1745 964 315 112 -229 O
ATOM 1008 CB LYS A 59 -4.229 -10.623 9.298 1.00 13.24 C
ANISOU 1008 CB LYS A 59 1720 1892 1420 -127 425 -503 C
ATOM 1009 CG LYS A 59 -2.833 -10.549 8.716 1.00 15.95 C
ANISOU 1009 CG LYS A 59 2190 2041 1828 -444 516 -581 C
ATOM 1010 CD LYS A 59 -2.488 -9.150 8.221 1.00 19.02 C
ANISOU 1010 CD LYS A 59 2460 2032 2736 -533 356 -569 C
ATOM 1011 H LYS A 59 -4.885 -12.582 7.950 1.00 13.15 H
ATOM 1012 HA LYS A 59 -3.904 -12.294 10.434 1.00 13.94 H
ATOM 1013 HB2 LYS A 59 -4.857 -10.367 8.604 1.00 15.89 H
ATOM 1014 HB3 LYS A 59 -4.279 -9.997 10.037 1.00 15.89 H
ATOM 1015 HG2 LYS A 59 -2.190 -10.795 9.400 1.00 19.14 H
ATOM 1016 HG3 LYS A 59 -2.769 -11.160 7.965 1.00 19.14 H
ATOM 1017 N GLY A 60 -6.891 -12.779 10.155 1.00 10.82 N
ANISOU 1017 N GLY A 60 1579 1701 830 202 204 202 N
ATOM 1018 CA GLY A 60 -8.150 -12.851 10.866 1.00 11.26 C
ANISOU 1018 CA GLY A 60 1651 1648 981 424 -20 128 C
ATOM 1019 C GLY A 60 -9.234 -11.922 10.372 1.00 11.00 C
ANISOU 1019 C GLY A 60 1558 1719 900 264 315 102 C
ATOM 1020 O GLY A 60 -10.311 -11.879 10.981 1.00 12.52 O
ANISOU 1020 O GLY A 60 1959 1874 924 177 164 332 O
ATOM 1021 H GLY A 60 -6.848 -13.291 9.465 1.00 12.98 H
ATOM 1022 HA2 GLY A 60 -8.489 -13.757 10.799 1.00 13.52 H
ATOM 1023 HA3 GLY A 60 -7.989 -12.642 11.799 1.00 13.52 H
ATOM 1024 N TYR A 61 -9.004 -11.198 9.278 1.00 9.93 N
ANISOU 1024 N TYR A 61 1460 1606 708 197 104 78 N
ATOM 1025 CA TYR A 61 -10.051 -10.372 8.703 1.00 10.09 C
ANISOU 1025 CA TYR A 61 1515 1519 801 125 46 141 C
ATOM 1026 C TYR A 61 -11.067 -11.248 7.980 1.00 10.11 C
ANISOU 1026 C TYR A 61 1536 1523 781 207 169 60 C
ATOM 1027 O TYR A 61 -10.746 -12.329 7.484 1.00 11.61 O
ANISOU 1027 O TYR A 61 1639 1598 1175 236 261 8 O
ATOM 1028 CB TYR A 61 -9.461 -9.365 7.710 1.00 10.36 C
ANISOU 1028 CB TYR A 61 1837 1398 700 169 327 316 C
ATOM 1029 CG TYR A 61 -8.560 -8.356 8.368 1.00 10.69 C
ANISOU 1029 CG TYR A 61 1784 1424 855 3 351 230 C
ATOM 1030 CD1 TYR A 61 -9.090 -7.242 9.020 1.00 11.07 C
ANISOU 1030 CD1 TYR A 61 1879 1327 999 138 506 186 C
ATOM 1031 CD2 TYR A 61 -7.188 -8.535 8.388 1.00 11.79 C
ANISOU 1031 CD2 TYR A 61 1996 1395 1090 -54 532 18 C
ATOM 1032 CE1 TYR A 61 -8.276 -6.325 9.640 1.00 11.44 C
ANISOU 1032 CE1 TYR A 61 2015 1169 1163 24 529 158 C
ATOM 1033 CE2 TYR A 61 -6.365 -7.619 9.013 1.00 12.88 C
ANISOU 1033 CE2 TYR A 61 2051 1338 1505 -210 280 -127 C
ATOM 1034 CZ TYR A 61 -6.917 -6.526 9.651 1.00 12.60 C
ANISOU 1034 CZ TYR A 61 2122 1202 1464 -132 700 -17 C
ATOM 1035 OH TYR A 61 -6.095 -5.622 10.272 1.00 15.70 O
ANISOU 1035 OH TYR A 61 2471 1461 2033 -348 865 -454 O
ATOM 1036 H TYR A 61 -8.255 -11.171 8.856 1.00 11.92 H
ATOM 1037 HA TYR A 61 -10.499 -9.880 9.408 1.00 12.11 H
ATOM 1038 HB2 TYR A 61 -8.941 -9.844 7.046 1.00 12.43 H
ATOM 1039 HB3 TYR A 61 -10.186 -8.885 7.280 1.00 12.43 H
ATOM 1040 HD1 TYR A 61 -10.012 -7.117 9.034 1.00 13.28 H
ATOM 1041 HD2 TYR A 61 -6.816 -9.281 7.976 1.00 14.15 H
ATOM 1042 HE1 TYR A 61 -8.641 -5.575 10.050 1.00 13.73 H
ATOM 1043 HE2 TYR A 61 -5.443 -7.738 9.005 1.00 15.46 H
ATOM 1044 HH TYR A 61 -6.553 -5.013 10.626 1.00 18.84 H
ATOM 1045 N THR A 62 -12.305 -10.775 7.928 1.00 9.89 N
ANISOU 1045 N THR A 62 1553 1260 944 200 115 -1 N
ATOM 1046 CA THR A 62 -13.312 -11.380 7.069 1.00 9.51 C
ANISOU 1046 CA THR A 62 1556 1161 897 79 61 23 C
ATOM 1047 C THR A 62 -13.236 -10.706 5.708 1.00 8.80 C
ANISOU 1047 C THR A 62 1393 1054 896 94 56 -8 C
ATOM 1048 O THR A 62 -13.222 -9.474 5.623 1.00 9.65 O
ANISOU 1048 O THR A 62 1834 1079 755 159 190 -22 O
ATOM 1049 CB THR A 62 -14.702 -11.214 7.674 1.00 11.04 C
ANISOU 1049 CB THR A 62 1452 1451 1292 -113 37 4 C
ATOM 1050 OG1 THR A 62 -14.733 -11.873 8.946 1.00 12.75 O
ANISOU 1050 OG1 THR A 62 1771 1984 1090 -123 203 355 O
ATOM 1051 CG2 THR A 62 -15.759 -11.804 6.747 1.00 12.28 C
ANISOU 1051 CG2 THR A 62 1758 1270 1637 43 215 -148 C
ATOM 1052 H THR A 62 -12.587 -10.103 8.384 1.00 11.87 H
ATOM 1053 HA THR A 62 -13.150 -12.331 6.967 1.00 11.41 H
ATOM 1054 HB THR A 62 -14.908 -10.273 7.794 1.00 13.25 H
ATOM 1055 HG1 THR A 62 -15.485 -11.768 9.305 1.00 15.30 H
ATOM 1056 HG21 THR A 62 -16.621 -11.814 7.191 1.00 14.73 H
ATOM 1057 HG22 THR A 62 -15.827 -11.271 5.939 1.00 14.73 H
ATOM 1058 HG23 THR A 62 -15.519 -12.712 6.505 1.00 14.73 H
ATOM 1059 N VAL A 63 -13.164 -11.510 4.650 1.00 9.27 N
ANISOU 1059 N VAL A 63 1538 1007 976 178 -2 34 N
ATOM 1060 CA VAL A 63 -13.029 -10.997 3.289 1.00 10.31 C
ANISOU 1060 CA VAL A 63 1620 1370 926 267 32 -44 C
ATOM 1061 C VAL A 63 -14.076 -11.680 2.422 1.00 9.94 C
ANISOU 1061 C VAL A 63 1662 1152 962 231 240 11 C
ATOM 1062 O VAL A 63 -14.005 -12.897 2.196 1.00 11.58 O
ANISOU 1062 O VAL A 63 2145 1157 1100 295 -126 -211 O
ATOM 1063 CB VAL A 63 -11.622 -11.201 2.720 1.00 11.85 C
ANISOU 1063 CB VAL A 63 1610 2117 775 436 107 -39 C
ATOM 1064 CG1 VAL A 63 -11.537 -10.568 1.343 1.00 13.58 C
ANISOU 1064 CG1 VAL A 63 1674 2347 1137 365 336 -72 C
ATOM 1065 CG2 VAL A 63 -10.576 -10.613 3.649 1.00 13.64 C
ANISOU 1065 CG2 VAL A 63 1642 2332 1207 525 96 39 C
ATOM 1066 H VAL A 63 -13.192 -12.368 4.699 1.00 11.12 H
ATOM 1067 HA VAL A 63 -13.220 -10.046 3.293 1.00 12.37 H
ATOM 1068 HB VAL A 63 -11.441 -12.150 2.641 1.00 14.22 H
ATOM 1069 HG11 VAL A 63 -10.616 -10.592 1.040 1.00 16.29 H
ATOM 1070 HG12 VAL A 63 -12.100 -11.067 0.731 1.00 16.29 H
ATOM 1071 HG13 VAL A 63 -11.843 -9.649 1.398 1.00 16.29 H
ATOM 1072 HG21 VAL A 63 -9.700 -10.727 3.249 1.00 16.36 H
ATOM 1073 HG22 VAL A 63 -10.762 -9.670 3.777 1.00 16.36 H
ATOM 1074 HG23 VAL A 63 -10.614 -11.076 4.500 1.00 16.36 H
ATOM 1075 N AASP A 64 -15.046 -10.898 1.956 0.69 9.44 N
ANISOU 1075 N AASP A 64 1606 1148 833 6 219 72 N
ATOM 1076 N BASP A 64 -15.042 -10.897 1.941 0.31 10.12 N
ANISOU 1076 N BASP A 64 1658 1195 993 98 232 57 N
ATOM 1077 CA AASP A 64 -16.162 -11.398 1.161 0.69 9.53 C
ANISOU 1077 CA AASP A 64 1416 1165 1040 49 66 35 C
ATOM 1078 CA BASP A 64 -16.183 -11.388 1.168 0.31 11.10 C
ANISOU 1078 CA BASP A 64 1749 1268 1201 44 191 54 C
ATOM 1079 C AASP A 64 -15.976 -10.869 -0.254 0.69 10.52 C
ANISOU 1079 C AASP A 64 2045 1033 919 23 115 -25 C
ATOM 1080 C BASP A 64 -16.010 -10.875 -0.258 0.31 10.97 C
ANISOU 1080 C BASP A 64 1993 1185 992 24 163 53 C
ATOM 1081 O AASP A 64 -16.231 -9.692 -0.528 0.69 12.66 O
ANISOU 1081 O AASP A 64 2855 920 1034 137 19 91 O
ATOM 1082 O BASP A 64 -16.308 -9.713 -0.548 0.31 11.98 O
ANISOU 1082 O BASP A 64 2352 1145 1057 65 270 130 O
ATOM 1083 CB AASP A 64 -17.502 -10.944 1.727 0.69 12.65 C
ANISOU 1083 CB AASP A 64 1790 1558 1459 132 339 140 C
ATOM 1084 CB BASP A 64 -17.484 -10.877 1.786 0.31 13.68 C
ANISOU 1084 CB BASP A 64 1977 1519 1701 -12 503 133 C
ATOM 1085 CG AASP A 64 -17.842 -11.617 3.033 0.69 15.56 C
ANISOU 1085 CG AASP A 64 2079 1999 1836 64 646 74 C
ATOM 1086 CG BASP A 64 -18.730 -11.456 1.125 0.31 16.05 C
ANISOU 1086 CG BASP A 64 2102 1820 2176 -145 815 346 C
ATOM 1087 OD1AASP A 64 -17.460 -12.790 3.230 0.69 17.24 O
ANISOU 1087 OD1AASP A 64 2232 2269 2050 279 915 147 O
ATOM 1088 OD1BASP A 64 -18.643 -11.949 -0.019 0.31 17.46 O
ANISOU 1088 OD1BASP A 64 2291 1922 2422 -426 463 618 O
ATOM 1089 OD2AASP A 64 -18.499 -10.969 3.865 0.69 19.90 O
ANISOU 1089 OD2AASP A 64 3324 2131 2108 -221 1035 67 O
ATOM 1090 OD2BASP A 64 -19.809 -11.406 1.759 0.31 18.73 O
ANISOU 1090 OD2BASP A 64 2593 2042 2480 243 995 278 O
ATOM 1091 H AASP A 64 -15.078 -10.050 2.093 0.69 11.33 H
ATOM 1092 H BASP A 64 -15.057 -10.045 2.057 0.31 12.15 H
ATOM 1093 HA AASP A 64 -16.143 -12.368 1.160 0.69 11.43 H
ATOM 1094 HA BASP A 64 -16.197 -12.358 1.155 0.31 13.32 H
ATOM 1095 HB2AASP A 64 -17.471 -9.987 1.881 0.69 15.19 H
ATOM 1096 HB2BASP A 64 -17.504 -11.122 2.724 0.31 16.41 H
ATOM 1097 HB3AASP A 64 -18.202 -11.155 1.089 0.69 15.19 H
ATOM 1098 HB3BASP A 64 -17.519 -9.913 1.694 0.31 16.41 H
ATOM 1099 N ILE A 65 -15.534 -11.745 -1.147 1.00 10.07 N
ANISOU 1099 N ILE A 65 1891 1202 733 6 168 90 N
ATOM 1100 CA ILE A 65 -15.314 -11.410 -2.547 1.00 11.02 C
ANISOU 1100 CA ILE A 65 2040 1357 793 -140 52 124 C
ATOM 1101 C ILE A 65 -16.369 -12.137 -3.367 1.00 11.04 C
ANISOU 1101 C ILE A 65 2073 1236 887 -169 132 -18 C
ATOM 1102 O ILE A 65 -16.500 -13.357 -3.266 1.00 12.81 O
ANISOU 1102 O ILE A 65 2448 1115 1305 -303 173 -77 O
ATOM 1103 CB ILE A 65 -13.930 -11.870 -3.033 1.00 15.14 C
ANISOU 1103 CB ILE A 65 2479 2411 861 -120 334 503 C
ATOM 1104 CG1 ILE A 65 -12.779 -11.417 -2.141 1.00 20.34 C
ANISOU 1104 CG1 ILE A 65 3099 3214 1416 -565 -332 378 C
ATOM 1105 CG2 ILE A 65 -13.716 -11.405 -4.463 1.00 16.16 C
ANISOU 1105 CG2 ILE A 65 2245 2764 1133 -47 341 432 C
ATOM 1106 CD1 ILE A 65 -12.529 -9.989 -2.113 1.00 22.35 C
ANISOU 1106 CD1 ILE A 65 3445 3430 1615 -469 -417 172 C
ATOM 1107 H ILE A 65 -15.350 -12.564 -0.957 1.00 12.08 H
ATOM 1108 HA ILE A 65 -15.396 -10.449 -2.651 1.00 13.23 H
ATOM 1109 HB ILE A 65 -13.926 -12.838 -2.987 1.00 18.16 H
ATOM 1110 HG12 ILE A 65 -12.973 -11.693 -1.231 1.00 24.41 H
ATOM 1111 HG13 ILE A 65 -11.966 -11.846 -2.451 1.00 24.41 H
ATOM 1112 HG21 ILE A 65 -12.788 -11.549 -4.706 1.00 19.40 H
ATOM 1113 HG22 ILE A 65 -14.295 -11.916 -5.050 1.00 19.40 H
ATOM 1114 HG23 ILE A 65 -13.932 -10.461 -4.524 1.00 19.40 H
ATOM 1115 HD11 ILE A 65 -11.823 -9.805 -1.474 1.00 26.82 H
ATOM 1116 HD12 ILE A 65 -12.258 -9.699 -2.998 1.00 26.82 H
ATOM 1117 HD13 ILE A 65 -13.342 -9.531 -1.849 1.00 26.82 H
ATOM 1118 N LYS A 66 -17.085 -11.400 -4.207 1.00 11.22 N
ANISOU 1118 N LYS A 66 2136 1218 908 -66 -10 -118 N
ATOM 1119 CA LYS A 66 -18.077 -11.972 -5.106 1.00 13.55 C
ANISOU 1119 CA LYS A 66 2167 1824 1158 -74 91 76 C
ATOM 1120 C LYS A 66 -17.771 -11.490 -6.511 1.00 13.35 C
ANISOU 1120 C LYS A 66 2388 1519 1164 -16 -251 3 C
ATOM 1121 O LYS A 66 -17.731 -10.283 -6.760 1.00 15.52 O
ANISOU 1121 O LYS A 66 3465 1426 1007 62 -215 -80 O
ATOM 1122 CB LYS A 66 -19.488 -11.540 -4.704 1.00 20.57 C
ANISOU 1122 CB LYS A 66 2888 2840 2089 150 62 221 C
ATOM 1123 CG LYS A 66 -19.944 -12.066 -3.361 1.00 26.10 C
ANISOU 1123 CG LYS A 66 3612 3384 2922 108 480 292 C
ATOM 1124 CD LYS A 66 -20.308 -13.533 -3.450 1.00 28.78 C
ANISOU 1124 CD LYS A 66 4225 3515 3193 340 399 441 C
ATOM 1125 H LYS A 66 -17.011 -10.546 -4.274 1.00 13.46 H
ATOM 1126 HA LYS A 66 -18.025 -12.941 -5.082 1.00 16.26 H
ATOM 1127 HB2 LYS A 66 -19.515 -10.571 -4.664 1.00 24.69 H
ATOM 1128 HB3 LYS A 66 -20.113 -11.862 -5.373 1.00 24.69 H
ATOM 1129 HG2 LYS A 66 -19.229 -11.966 -2.714 1.00 31.33 H
ATOM 1130 HG3 LYS A 66 -20.727 -11.573 -3.069 1.00 31.33 H
ATOM 1131 N ILE A 67 -17.565 -12.423 -7.430 1.00 14.70 N
ANISOU 1131 N ILE A 67 2628 1350 1606 89 -190 -10 N
ATOM 1132 CA ILE A 67 -17.355 -12.096 -8.833 1.00 15.60 C
ANISOU 1132 CA ILE A 67 3250 1431 1245 15 -162 -1 C
ATOM 1133 C ILE A 67 -18.538 -12.681 -9.594 1.00 19.33 C
ANISOU 1133 C ILE A 67 3593 1790 1962 -559 -482 -125 C
ATOM 1134 O ILE A 67 -18.639 -13.904 -9.761 1.00 21.92 O
ANISOU 1134 O ILE A 67 4318 1715 2294 -691 -847 16 O
ATOM 1135 CB ILE A 67 -16.014 -12.629 -9.349 1.00 16.62 C
ANISOU 1135 CB ILE A 67 3444 1636 1236 398 271 -51 C
ATOM 1136 CG1 ILE A 67 -14.875 -12.122 -8.447 1.00 16.68 C
ANISOU 1136 CG1 ILE A 67 2928 1826 1582 519 685 161 C
ATOM 1137 CG2 ILE A 67 -15.796 -12.227 -10.799 1.00 18.47 C
ANISOU 1137 CG2 ILE A 67 4027 1739 1251 542 124 -158 C
ATOM 1138 CD1 ILE A 67 -13.493 -12.559 -8.907 1.00 19.32 C
ANISOU 1138 CD1 ILE A 67 3125 1893 2322 488 1074 365 C
ATOM 1139 H ILE A 67 -17.541 -13.265 -7.259 1.00 17.64 H
ATOM 1140 HA ILE A 67 -17.357 -11.135 -8.963 1.00 18.72 H
ATOM 1141 HB ILE A 67 -16.024 -13.598 -9.314 1.00 19.95 H
ATOM 1142 HG12 ILE A 67 -14.892 -11.152 -8.438 1.00 20.01 H
ATOM 1143 HG13 ILE A 67 -15.011 -12.465 -7.550 1.00 20.01 H
ATOM 1144 HG21 ILE A 67 -14.934 -12.560 -11.093 1.00 22.17 H
ATOM 1145 HG22 ILE A 67 -16.502 -12.611 -11.342 1.00 22.17 H
ATOM 1146 HG23 ILE A 67 -15.817 -11.259 -10.865 1.00 22.17 H
ATOM 1147 HD11 ILE A 67 -12.851 -12.365 -8.206 1.00 23.19 H
ATOM 1148 HD12 ILE A 67 -13.507 -13.512 -9.088 1.00 23.19 H
ATOM 1149 HD13 ILE A 67 -13.260 -12.073 -9.713 1.00 23.19 H
ATOM 1150 N GLU A 68 -19.448 -11.812 -10.016 1.00 21.29 N
ANISOU 1150 N GLU A 68 3102 2483 2504 -738 -749 -23 N
ATOM 1151 CA GLU A 68 -20.724 -12.228 -10.578 1.00 26.16 C
ANISOU 1151 CA GLU A 68 3393 3296 3251 -661 -486 26 C
ATOM 1152 C GLU A 68 -20.658 -12.365 -12.090 1.00 31.18 C
ANISOU 1152 C GLU A 68 3811 3971 4065 -626 -281 148 C
ATOM 1153 O GLU A 68 -21.628 -12.801 -12.712 1.00 32.98 O
ANISOU 1153 O GLU A 68 3730 4434 4367 -616 -106 186 O
ATOM 1154 CB GLU A 68 -21.810 -11.216 -10.201 1.00 29.58 C
ANISOU 1154 CB GLU A 68 3770 3714 3754 -61 -22 10 C
ATOM 1155 OXT GLU A 68 -19.649 -12.044 -12.721 1.00 30.19 O
ANISOU 1155 OXT GLU A 68 3796 3847 3828 -65 -19 30 O
ATOM 1156 H GLU A 68 -19.348 -10.959 -9.986 1.00 25.55 H
ATOM 1157 HA GLU A 68 -20.957 -13.097 -10.216 1.00 31.40 H
TER 1158 GLU A 68
HETATM 1159 O HOH A 101 -1.918 2.786 -10.274 1.00 24.41 O
HETATM 1160 O HOH A 102 0.474 -10.308 -13.281 1.00 40.11 O
HETATM 1161 O HOH A 103 -2.184 -1.278 10.056 1.00 32.39 O
HETATM 1162 O HOH A 104 -7.622 -19.241 -5.379 1.00 27.59 O
HETATM 1163 O HOH A 105 -8.321 2.513 12.363 1.00 18.05 O
HETATM 1164 O HOH A 106 -2.935 -5.290 -0.308 1.00 23.57 O
HETATM 1165 O HOH A 107 -19.387 -4.813 -11.461 1.00 18.73 O
HETATM 1166 O HOH A 108 -14.121 2.756 -5.330 1.00 38.31 O
HETATM 1167 O HOH A 109 -7.782 3.866 1.638 1.00 15.63 O
HETATM 1168 O HOH A 110 -3.637 -5.881 10.985 1.00 36.95 O
HETATM 1169 O HOH A 111 -6.853 -6.683 -16.153 1.00 22.58 O
HETATM 1170 O HOH A 112 -17.011 -15.803 -4.075 1.00 16.72 O
HETATM 1171 O HOH A 113 -17.079 -12.413 10.020 1.00 25.62 O
HETATM 1172 O HOH A 114 -10.762 -14.534 8.929 1.00 25.10 O
HETATM 1173 O HOH A 115 -0.999 6.407 -9.212 1.00 37.68 O
HETATM 1174 O HOH A 116 -19.495 -6.521 8.812 1.00 27.93 O
HETATM 1175 O HOH A 117 -0.347 -14.755 -16.450 1.00 32.31 O
HETATM 1176 O HOH A 118 -7.310 -3.778 11.743 1.00 15.68 O
HETATM 1177 O HOH A 119 -11.375 6.131 -7.272 1.00 16.81 O
HETATM 1178 O HOH A 120 -10.028 -3.615 10.748 1.00 13.92 O
HETATM 1179 O HOH A 121 -17.744 -7.464 10.754 1.00 25.57 O
HETATM 1180 O HOH A 122 -15.374 -0.099 9.449 1.00 26.07 O
HETATM 1181 O HOH A 123 0.815 0.233 0.764 1.00 23.39 O
HETATM 1182 O HOH A 124 -7.238 -18.094 3.043 1.00 16.50 O
HETATM 1183 O HOH A 125 -12.931 -13.237 10.462 1.00 10.76 O
HETATM 1184 O HOH A 126 -5.127 -17.253 4.437 1.00 15.45 O
HETATM 1185 O HOH A 127 -19.740 -12.039 6.065 1.00 24.96 O
HETATM 1186 O HOH A 128 -11.897 1.655 -8.276 1.00 26.03 O
HETATM 1187 O HOH A 129 -1.728 -1.254 -17.296 1.00 13.79 O
HETATM 1188 O HOH A 130 -12.067 1.866 6.865 1.00 18.51 O
HETATM 1189 O HOH A 131 -18.475 1.294 7.202 1.00 25.72 O
HETATM 1190 O HOH A 132 -1.335 -2.108 -5.822 1.00 20.59 O
HETATM 1191 O HOH A 133 -13.220 -14.376 4.968 1.00 11.08 O
HETATM 1192 O HOH A 134 -7.386 3.871 -15.095 1.00 15.14 O
HETATM 1193 O HOH A 135 -9.526 -19.365 -6.111 1.00 31.23 O
HETATM 1194 O HOH A 136 0.332 -6.178 -11.846 1.00 24.78 O
HETATM 1195 O HOH A 137 -14.647 -14.381 -0.061 1.00 10.45 O
HETATM 1196 O HOH A 138 -15.956 -14.724 4.542 1.00 16.26 O
HETATM 1197 O HOH A 139 -9.137 2.635 -8.864 1.00 12.99 O
HETATM 1198 O HOH A 140 -5.024 4.562 -6.713 1.00 23.07 O
HETATM 1199 O HOH A 141 -10.003 2.328 -11.513 1.00 15.93 O
HETATM 1200 O HOH A 142 -4.988 4.105 -4.168 1.00 19.27 O
HETATM 1201 O HOH A 143 -13.653 -6.366 -13.855 1.00 13.74 O
HETATM 1202 O HOH A 144 -0.788 -11.993 5.821 1.00 21.60 O
HETATM 1203 O HOH A 145 -11.829 -14.400 -16.598 1.00 21.66 O
HETATM 1204 O HOH A 146 -13.486 -1.771 9.807 1.00 15.21 O
HETATM 1205 O HOH A 147 -14.597 1.133 1.051 1.00 15.83 O
HETATM 1206 O HOH A 148 -13.270 0.252 -6.468 1.00 28.22 O
HETATM 1207 O HOH A 149 -8.124 -16.526 -1.588 1.00 11.12 O
HETATM 1208 O HOH A 150 -4.862 3.095 13.936 1.00 29.53 O
HETATM 1209 O HOH A 151 -23.797 -14.005 -11.347 1.00 32.83 O
HETATM 1210 O HOH A 152 -21.231 -5.101 10.827 1.00 26.28 O
HETATM 1211 O HOH A 153 -2.661 -9.973 -10.984 1.00 16.99 O
HETATM 1212 O HOH A 154 -8.709 4.069 -0.909 1.00 19.54 O
HETATM 1213 O HOH A 155 -3.823 3.258 6.214 1.00 19.00 O
HETATM 1214 O HOH A 156 -16.471 1.136 -4.294 1.00 21.74 O
HETATM 1215 O HOH A 157 -3.092 -9.024 -4.149 1.00 15.56 O
HETATM 1216 O HOH A 158 -6.502 6.555 6.781 1.00 17.09 O
HETATM 1217 O HOH A 159 -22.765 -1.959 10.155 1.00 43.91 O
HETATM 1218 O HOH A 160 -1.483 -13.936 -0.453 1.00 26.77 O
HETATM 1219 O HOH A 161 -5.061 -4.618 -2.086 1.00 27.05 O
HETATM 1220 O HOH A 162 -19.150 -9.731 -1.779 1.00 28.23 O
HETATM 1221 O HOH A 163 -16.133 1.342 -9.256 1.00 22.05 O
HETATM 1222 O HOH A 164 0.879 -3.589 -15.219 1.00 29.78 O
HETATM 1223 O HOH A 165 -1.593 1.462 0.429 1.00 26.82 O
HETATM 1224 O HOH A 166 -15.791 -7.227 13.929 1.00 12.03 O
HETATM 1225 O HOH A 167 -13.152 -0.468 -10.146 1.00 14.54 O
HETATM 1226 O HOH A 168 -0.647 -5.133 -3.434 1.00 36.78 O
HETATM 1227 O HOH A 169 -17.754 -15.792 -2.249 1.00 31.80 O
HETATM 1228 O HOH A 170 -25.485 -10.384 -8.576 1.00 20.36 O
HETATM 1229 O HOH A 171 -18.071 0.078 10.589 1.00 34.29 O
HETATM 1230 O HOH A 172 -17.710 0.980 3.188 1.00 21.86 O
HETATM 1231 O HOH A 173 -5.466 8.081 -8.022 1.00 25.56 O
HETATM 1232 O HOH A 174 -15.652 -13.396 -14.616 1.00 20.00 O
HETATM 1233 O HOH A 175 2.844 -2.658 3.943 1.00 25.36 O
HETATM 1234 O HOH A 176 -17.163 -0.477 -15.918 1.00 25.02 O
HETATM 1235 O HOH A 177 -18.947 -4.221 -2.144 1.00 28.49 O
HETATM 1236 O HOH A 178 -17.281 -10.571 10.042 1.00 17.93 O
HETATM 1237 O HOH A 179 -8.763 -18.965 -3.379 1.00 27.15 O
HETATM 1238 O HOH A 180 -19.602 -16.464 -8.236 1.00 39.11 O
HETATM 1239 O HOH A 181 -25.077 -9.723 -5.976 1.00 23.68 O
HETATM 1240 O HOH A 182 -3.912 4.614 -15.047 1.00 35.07 O
HETATM 1241 O HOH A 183 -1.269 -8.779 -12.784 1.00 26.61 O
HETATM 1242 O HOH A 184 -15.514 -6.960 -16.431 1.00 26.34 O
HETATM 1243 O HOH A 185 -24.558 1.591 -2.531 1.00 34.01 O
HETATM 1244 O HOH A 186 -1.902 -20.221 -2.652 1.00 32.10 O
HETATM 1245 O HOH A 187 -21.710 -3.710 -6.768 1.00 33.57 O
HETATM 1246 O HOH A 188 -18.062 3.766 -6.880 1.00 22.22 O
HETATM 1247 O HOH A 189 -14.201 4.495 15.698 1.00 25.36 O
HETATM 1248 O HOH A 190 -16.930 3.523 -0.231 1.00 21.33 O
HETATM 1249 O HOH A 191 -20.093 -15.745 -13.364 1.00 35.35 O
HETATM 1250 O HOH A 192 -4.635 4.290 3.650 1.00 27.54 O
HETATM 1251 O HOH A 193 -20.034 -0.145 4.274 1.00 27.74 O
HETATM 1252 O HOH A 194 -23.658 -0.427 -4.568 1.00 28.79 O
HETATM 1253 O HOH A 195 -8.346 -18.270 7.605 1.00 35.44 O
HETATM 1254 O HOH A 196 -0.703 -14.764 2.113 1.00 30.13 O
HETATM 1255 O HOH A 197 -18.709 3.445 -10.233 1.00 44.07 O
HETATM 1256 O HOH A 198 -20.556 -3.698 -13.943 1.00 41.60 O
HETATM 1257 O HOH A 199 -2.531 -6.895 -2.522 1.00 25.93 O
HETATM 1258 O HOH A 200 -1.874 4.112 -12.938 1.00 27.34 O
HETATM 1259 O HOH A 201 -10.040 -15.370 -17.935 1.00 23.79 O
HETATM 1260 O HOH A 202 -24.142 -4.238 -5.353 1.00 27.67 O
HETATM 1261 O HOH A 203 -16.992 -16.649 2.738 1.00 15.85 O
HETATM 1262 O HOH A 204 -9.104 5.295 -8.555 1.00 16.87 O
HETATM 1263 O HOH A 205 -22.888 -0.351 -9.022 1.00 39.79 O
HETATM 1264 O HOH A 206 -0.359 9.134 -8.198 1.00 32.17 O
HETATM 1265 O HOH A 207 -3.720 -1.121 12.395 1.00 25.04 O
HETATM 1266 O HOH A 208 -0.339 -2.387 -8.415 1.00 31.33 O
HETATM 1267 O HOH A 209 -1.313 2.404 7.103 1.00 42.29 O
HETATM 1268 O HOH A 210 -23.096 -9.924 5.047 1.00 37.03 O
HETATM 1269 O HOH A 211 -1.277 -15.024 -8.080 1.00 33.97 O
HETATM 1270 O HOH A 212 -23.236 -11.328 -4.797 1.00 40.44 O
HETATM 1271 O HOH A 213 -23.336 -13.031 4.005 1.00 29.62 O
HETATM 1272 O HOH A 214 0.103 -12.707 -8.580 1.00 26.94 O
HETATM 1273 O HOH A 215 -7.105 6.265 -7.046 1.00 20.83 O
HETATM 1274 O HOH A 216 -0.414 -18.538 -4.861 1.00 48.66 O
MASTER 245 0 0 2 3 0 0 6 667 1 0 6
END
|