HEADER OXYGEN TRANSPORT 23-JAN-90 1THB 1THB 2 COMPND HEMOGLOBIN (T STATE, PARTIALLY OXYGENATED) 1THB 3 SOURCE HUMAN (HOMO $SAPIENS) 1THB 4 ATOM 1116 N VAL B 1 -15.634 9.917 12.574 1.00 76.03 1THB1270 ATOM 1117 CA VAL B 1 -14.515 10.865 12.308 1.00 77.27 1THB1271 ATOM 1118 C VAL B 1 -15.097 12.283 12.644 1.00 77.27 1THB1272 ATOM 1119 O VAL B 1 -16.086 12.873 12.073 1.00 71.72 1THB1273 ATOM 1120 CB VAL B 1 -13.753 10.685 10.973 1.00 77.15 1THB1274 ATOM 1121 CG1 VAL B 1 -13.446 11.939 10.153 1.00 74.87 1THB1275 ATOM 1122 CG2 VAL B 1 -12.417 9.907 11.112 1.00 69.44 1THB1276 ATOM 1123 N HIS B 2 -14.290 12.651 13.713 1.00 61.66 1THB1277 ATOM 1124 CA HIS B 2 -14.585 13.988 14.229 1.00 66.96 1THB1278 ATOM 1125 C HIS B 2 -13.536 14.921 13.568 1.00 60.14 1THB1279 ATOM 1126 O HIS B 2 -12.342 15.104 13.895 1.00 60.36 1THB1280 ATOM 1127 CB HIS B 2 -14.845 14.161 15.765 1.00 73.56 1THB1281 ATOM 1128 CG HIS B 2 -14.286 15.476 16.326 1.00 77.27 1THB1282 ATOM 1129 ND1 HIS B 2 -13.244 15.567 17.263 1.00 77.27 1THB1283 ATOM 1130 CD2 HIS B 2 -14.587 16.817 16.035 1.00 77.27 1THB1284 ATOM 1131 CE1 HIS B 2 -12.938 16.864 17.513 1.00 77.27 1THB1285 ATOM 1132 NE2 HIS B 2 -13.735 17.655 16.776 1.00 77.27 1THB1286 ATOM 1133 N LEU B 3 -14.166 15.542 12.547 1.00 45.26 1THB1287 ATOM 1134 CA LEU B 3 -13.519 16.579 11.765 1.00 47.00 1THB1288 ATOM 1135 C LEU B 3 -14.375 17.857 11.990 1.00 56.48 1THB1289 ATOM 1136 O LEU B 3 -15.621 17.886 12.002 1.00 64.97 1THB1290 ATOM 1137 CB LEU B 3 -13.437 16.288 10.259 1.00 40.73 1THB1291 ATOM 1138 CG LEU B 3 -12.383 15.732 9.341 1.00 54.02 1THB1292 ATOM 1139 CD1 LEU B 3 -11.895 14.333 9.742 1.00 39.46 1THB1293 ATOM 1140 CD2 LEU B 3 -12.965 15.641 7.922 1.00 43.24 1THB1294 ATOM 1141 N THR B 4 -13.576 18.884 12.104 1.00 46.51 1THB1295 ATOM 1142 CA THR B 4 -14.079 20.263 12.094 1.00 41.20 1THB1296 ATOM 1143 C THR B 4 -14.851 20.302 10.794 1.00 62.15 1THB1297 ATOM 1144 O THR B 4 -14.739 19.499 9.845 1.00 55.28 1THB1298 ATOM 1145 CB THR B 4 -12.778 21.112 12.302 1.00 61.29 1THB1299 ATOM 1146 OG1 THR B 4 -12.690 20.757 13.760 1.00 71.26 1THB1300 ATOM 1147 CG2 THR B 4 -12.841 22.557 11.815 1.00 57.86 1THB1301 ATOM 1148 N PRO B 5 -15.774 21.220 10.679 1.00 72.79 1THB1302 ATOM 1149 CA PRO B 5 -16.597 21.318 9.454 1.00 62.32 1THB1303 ATOM 1150 C PRO B 5 -15.690 21.904 8.384 1.00 52.81 1THB1304 ATOM 1151 O PRO B 5 -15.828 21.769 7.161 1.00 61.68 1THB1305 ATOM 1152 CB PRO B 5 -17.686 22.285 9.887 1.00 71.21 1THB1306 ATOM 1153 CG PRO B 5 -16.808 23.283 10.687 1.00 77.27 1THB1307 ATOM 1154 CD PRO B 5 -16.080 22.304 11.638 1.00 77.08 1THB1308 ATOM 1155 N GLU B 6 -14.755 22.623 9.024 1.00 43.43 1THB1309 ATOM 1156 CA GLU B 6 -13.739 23.315 8.208 1.00 56.88 1THB1310 ATOM 1157 C GLU B 6 -12.830 22.267 7.587 1.00 67.62 1THB1311 ATOM 1158 O GLU B 6 -12.386 22.412 6.429 1.00 42.32 1THB1312 ATOM 1159 CB GLU B 6 -13.067 24.433 9.012 1.00 77.25 1THB1313 ATOM 1160 CG GLU B 6 -13.161 25.749 8.192 1.00 77.27 1THB1314 ATOM 1161 CD GLU B 6 -14.464 26.458 7.802 1.00 77.27 1THB1315 ATOM 1162 OE1 GLU B 6 -15.270 26.206 6.834 1.00 77.27 1THB1316 ATOM 1163 OE2 GLU B 6 -14.566 27.458 8.659 1.00 77.27 1THB1317 ATOM 1164 N GLU B 7 -12.647 21.191 8.340 1.00 43.40 1THB1318 ATOM 1165 CA GLU B 7 -11.867 20.042 7.885 1.00 33.47 1THB1319 ATOM 1166 C GLU B 7 -12.635 19.228 6.873 1.00 48.82 1THB1320 ATOM 1167 O GLU B 7 -11.967 18.795 5.902 1.00 60.58 1THB1321 ATOM 1168 CB GLU B 7 -11.511 19.174 9.087 1.00 43.06 1THB1322 ATOM 1169 CG GLU B 7 -10.209 19.903 9.560 1.00 43.46 1THB1323 ATOM 1170 CD GLU B 7 -9.742 19.231 10.820 1.00 59.76 1THB1324 ATOM 1171 OE1 GLU B 7 -8.550 19.311 11.049 1.00 67.42 1THB1325 ATOM 1172 OE2 GLU B 7 -10.710 18.699 11.415 1.00 47.71 1THB1326 ATOM 1173 N LYS B 8 -13.958 19.109 7.037 1.00 39.36 1THB1327 ATOM 1174 CA LYS B 8 -14.600 18.333 5.966 1.00 37.19 1THB1328 ATOM 1175 C LYS B 8 -14.868 19.105 4.679 1.00 31.25 1THB1329 ATOM 1176 O LYS B 8 -15.039 18.426 3.653 1.00 46.19 1THB1330 ATOM 1177 CB LYS B 8 -15.841 17.614 6.360 1.00 39.57 1THB1331 ATOM 1178 CG LYS B 8 -17.139 18.396 6.263 1.00 65.48 1THB1332 ATOM 1179 CD LYS B 8 -17.339 18.747 7.759 1.00 77.27 1THB1333 ATOM 1180 CE LYS B 8 -17.021 17.617 8.736 1.00 77.27 1THB1334 ATOM 1181 NZ LYS B 8 -17.857 16.381 8.583 1.00 74.51 1THB1335 ATOM 1182 N SER B 9 -14.887 20.430 4.705 1.00 29.35 1THB1336 ATOM 1183 CA SER B 9 -15.184 21.057 3.398 1.00 38.41 1THB1337 ATOM 1184 C SER B 9 -13.938 20.895 2.534 1.00 45.46 1THB1338 ATOM 1185 O SER B 9 -13.994 20.654 1.339 1.00 47.16 1THB1339 ATOM 1186 CB SER B 9 -15.606 22.488 3.582 1.00 62.93 1THB1340 ATOM 1187 OG SER B 9 -14.504 23.347 3.335 1.00 70.65 1THB1341 ATOM 1188 N ALA B 10 -12.850 21.073 3.257 1.00 45.00 1THB1342 ATOM 1189 CA ALA B 10 -11.500 20.975 2.732 1.00 41.65 1THB1343 ATOM 1190 C ALA B 10 -11.371 19.599 2.026 1.00 35.30 1THB1344 ATOM 1191 O ALA B 10 -10.895 19.565 0.880 1.00 36.63 1THB1345 ATOM 1192 CB ALA B 10 -10.371 20.965 3.756 1.00 38.12 1THB1346 ATOM 1193 N VAL B 11 -11.763 18.625 2.816 1.00 28.44 1THB1347 ATOM 1194 CA VAL B 11 -11.651 17.221 2.341 1.00 30.09 1THB1348 ATOM 1195 C VAL B 11 -12.473 17.065 1.051 1.00 34.47 1THB1349 ATOM 1196 O VAL B 11 -12.088 16.641 -0.041 1.00 30.26 1THB1350 ATOM 1197 CB VAL B 11 -12.030 16.195 3.449 1.00 27.26 1THB1351 ATOM 1198 CG1 VAL B 11 -12.458 14.850 2.874 1.00 32.82 1THB1352 ATOM 1199 CG2 VAL B 11 -10.901 16.099 4.476 1.00 26.78 1THB1353 ATOM 1200 N THR B 12 -13.725 17.375 1.254 1.00 36.33 1THB1354 ATOM 1201 CA THR B 12 -14.799 17.353 0.254 1.00 34.05 1THB1355 ATOM 1202 C THR B 12 -14.438 18.200 -0.920 1.00 27.47 1THB1356 ATOM 1203 O THR B 12 -14.561 17.743 -2.065 1.00 29.77 1THB1357 ATOM 1204 CB THR B 12 -15.921 17.926 1.237 1.00 39.00 1THB1358 ATOM 1205 OG1 THR B 12 -16.723 16.730 1.392 1.00 62.08 1THB1359 ATOM 1206 CG2 THR B 12 -16.294 19.325 0.812 1.00 50.14 1THB1360 ATOM 1207 N ALA B 13 -13.950 19.409 -0.718 1.00 24.69 1THB1361 ATOM 1208 CA ALA B 13 -13.551 20.299 -1.807 1.00 28.63 1THB1362 ATOM 1209 C ALA B 13 -12.552 19.692 -2.775 1.00 39.33 1THB1363 ATOM 1210 O ALA B 13 -12.665 19.643 -4.032 1.00 41.26 1THB1364 ATOM 1211 CB ALA B 13 -13.044 21.555 -1.109 1.00 31.67 1THB1365 ATOM 1212 N LEU B 14 -11.469 19.121 -2.222 1.00 55.39 1THB1366 ATOM 1213 CA LEU B 14 -10.402 18.475 -3.004 1.00 29.71 1THB1367 ATOM 1214 C LEU B 14 -10.878 17.194 -3.731 1.00 20.37 1THB1368 ATOM 1215 O LEU B 14 -10.483 17.027 -4.911 1.00 26.72 1THB1369 ATOM 1216 CB LEU B 14 -9.177 18.074 -2.137 1.00 30.98 1THB1370 ATOM 1217 CG LEU B 14 -7.826 17.958 -2.829 1.00 64.51 1THB1371 ATOM 1218 CD1 LEU B 14 -7.536 19.341 -3.457 1.00 56.46 1THB1372 ATOM 1219 CD2 LEU B 14 -6.687 17.520 -1.918 1.00 44.57 1THB1373 ATOM 1220 N TRP B 15 -11.606 16.467 -2.881 1.00 19.40 1THB1374 ATOM 1221 CA TRP B 15 -12.024 15.188 -3.331 1.00 17.20 1THB1375 ATOM 1222 C TRP B 15 -12.792 15.313 -4.649 1.00 24.40 1THB1376 ATOM 1223 O TRP B 15 -12.933 14.457 -5.519 1.00 24.08 1THB1377 ATOM 1224 CB TRP B 15 -12.851 14.529 -2.241 1.00 25.14 1THB1378 ATOM 1225 CG TRP B 15 -12.941 13.071 -2.646 1.00 36.49 1THB1379 ATOM 1226 CD1 TRP B 15 -13.975 12.346 -3.192 1.00 28.49 1THB1380 ATOM 1227 CD2 TRP B 15 -11.841 12.127 -2.590 1.00 35.97 1THB1381 ATOM 1228 NE1 TRP B 15 -13.640 11.028 -3.456 1.00 34.74 1THB1382 ATOM 1229 CE2 TRP B 15 -12.332 10.862 -3.085 1.00 37.20 1THB1383 ATOM 1230 CE3 TRP B 15 -10.510 12.295 -2.143 1.00 28.07 1THB1384 ATOM 1231 CZ2 TRP B 15 -11.571 9.699 -3.182 1.00 28.89 1THB1385 ATOM 1232 CZ3 TRP B 15 -9.769 11.097 -2.200 1.00 26.55 1THB1386 ATOM 1233 CH2 TRP B 15 -10.220 9.877 -2.681 1.00 23.02 1THB1387 ATOM 1234 N GLY B 16 -13.348 16.540 -4.684 1.00 32.65 1THB1388 ATOM 1235 CA GLY B 16 -14.230 16.992 -5.754 1.00 37.49 1THB1389 ATOM 1236 C GLY B 16 -13.450 16.941 -7.045 1.00 43.58 1THB1390 ATOM 1237 O GLY B 16 -13.967 16.712 -8.120 1.00 36.07 1THB1391 ATOM 1238 N LYS B 17 -12.161 17.175 -6.872 1.00 35.51 1THB1392 ATOM 1239 CA LYS B 17 -11.298 17.154 -8.060 1.00 28.55 1THB1393 ATOM 1240 C LYS B 17 -10.668 15.832 -8.413 1.00 32.58 1THB1394 ATOM 1241 O LYS B 17 -9.996 15.800 -9.486 1.00 44.20 1THB1395 ATOM 1242 CB LYS B 17 -10.188 18.240 -7.796 1.00 32.45 1THB1396 ATOM 1243 CG LYS B 17 -10.938 19.537 -7.379 1.00 43.61 1THB1397 ATOM 1244 CD LYS B 17 -9.981 20.690 -7.632 1.00 35.13 1THB1398 ATOM 1245 CE LYS B 17 -10.499 21.830 -6.748 1.00 47.13 1THB1399 ATOM 1246 NZ LYS B 17 -9.369 22.794 -6.942 1.00 45.12 1THB1400 ATOM 1247 N VAL B 18 -10.816 14.777 -7.564 1.00 25.81 1THB1401 ATOM 1248 CA VAL B 18 -10.087 13.562 -7.887 1.00 48.97 1THB1402 ATOM 1249 C VAL B 18 -10.846 12.716 -8.917 1.00 47.82 1THB1403 ATOM 1250 O VAL B 18 -12.049 12.533 -9.030 1.00 34.69 1THB1404 ATOM 1251 CB VAL B 18 -9.435 12.809 -6.655 1.00 30.90 1THB1405 ATOM 1252 CG1 VAL B 18 -9.263 13.739 -5.465 1.00 21.05 1THB1406 ATOM 1253 CG2 VAL B 18 -9.934 11.387 -6.538 1.00 27.05 1THB1407 ATOM 1254 N ASN B 19 -9.972 12.184 -9.773 1.00 31.32 1THB1408 ATOM 1255 CA ASN B 19 -10.251 11.162 -10.758 1.00 29.15 1THB1409 ATOM 1256 C ASN B 19 -10.024 9.801 -9.992 1.00 39.25 1THB1410 ATOM 1257 O ASN B 19 -8.919 9.255 -10.025 1.00 28.21 1THB1411 ATOM 1258 CB ASN B 19 -9.385 11.217 -11.997 1.00 32.12 1THB1412 ATOM 1259 CG ASN B 19 -9.834 10.012 -12.896 1.00 77.27 1THB1413 ATOM 1260 OD1 ASN B 19 -10.447 8.946 -12.583 1.00 41.75 1THB1414 ATOM 1261 ND2 ASN B 19 -9.503 10.224 -14.183 1.00 69.61 1THB1415 ATOM 1262 N VAL B 20 -11.038 9.241 -9.371 1.00 29.27 1THB1416 ATOM 1263 CA VAL B 20 -11.026 8.070 -8.526 1.00 29.10 1THB1417 ATOM 1264 C VAL B 20 -10.423 6.853 -9.174 1.00 35.40 1THB1418 ATOM 1265 O VAL B 20 -9.651 6.078 -8.572 1.00 39.16 1THB1419 ATOM 1266 CB VAL B 20 -12.498 7.895 -8.021 1.00 39.68 1THB1420 ATOM 1267 CG1 VAL B 20 -12.703 6.426 -7.629 1.00 40.56 1THB1421 ATOM 1268 CG2 VAL B 20 -12.813 9.017 -7.033 1.00 47.33 1THB1422 ATOM 1269 N ASP B 21 -10.861 6.709 -10.421 1.00 30.32 1THB1423 ATOM 1270 CA ASP B 21 -10.407 5.561 -11.240 1.00 64.46 1THB1424 ATOM 1271 C ASP B 21 -8.885 5.496 -11.247 1.00 46.89 1THB1425 ATOM 1272 O ASP B 21 -8.316 4.502 -10.880 1.00 40.12 1THB1426 ATOM 1273 CB ASP B 21 -10.761 5.676 -12.735 1.00 46.59 1THB1427 ATOM 1274 CG ASP B 21 -12.246 5.321 -12.854 1.00 69.73 1THB1428 ATOM 1275 OD1 ASP B 21 -12.916 5.094 -11.822 1.00 49.12 1THB1429 ATOM 1276 OD2 ASP B 21 -12.665 5.296 -14.029 1.00 74.62 1THB1430 ATOM 1277 N GLU B 22 -8.438 6.621 -11.763 1.00 29.26 1THB1431 ATOM 1278 CA GLU B 22 -7.014 6.801 -11.900 1.00 29.17 1THB1432 ATOM 1279 C GLU B 22 -6.327 6.908 -10.513 1.00 27.24 1THB1433 ATOM 1280 O GLU B 22 -5.223 6.340 -10.327 1.00 27.40 1THB1434 ATOM 1281 CB GLU B 22 -6.741 8.061 -12.667 1.00 42.96 1THB1435 ATOM 1282 CG GLU B 22 -5.653 8.953 -12.046 1.00 40.98 1THB1436 ATOM 1283 CD GLU B 22 -4.520 9.324 -13.003 1.00 77.27 1THB1437 ATOM 1284 OE1 GLU B 22 -3.377 8.792 -12.979 1.00 77.27 1THB1438 ATOM 1285 OE2 GLU B 22 -4.964 10.242 -13.781 1.00 75.10 1THB1439 ATOM 1286 N VAL B 23 -6.809 7.686 -9.587 1.00 23.02 1THB1440 ATOM 1287 CA VAL B 23 -6.110 7.751 -8.296 1.00 23.25 1THB1441 ATOM 1288 C VAL B 23 -6.208 6.370 -7.622 1.00 30.03 1THB1442 ATOM 1289 O VAL B 23 -5.205 5.956 -6.947 1.00 22.52 1THB1443 ATOM 1290 CB VAL B 23 -6.729 8.844 -7.444 1.00 26.18 1THB1444 ATOM 1291 CG1 VAL B 23 -6.626 8.713 -5.939 1.00 28.49 1THB1445 ATOM 1292 CG2 VAL B 23 -6.149 10.142 -8.034 1.00 32.80 1THB1446 ATOM 1293 N GLY B 24 -7.294 5.657 -7.732 1.00 21.22 1THB1447 ATOM 1294 CA GLY B 24 -7.376 4.340 -7.097 1.00 19.84 1THB1448 ATOM 1295 C GLY B 24 -6.332 3.398 -7.655 1.00 24.95 1THB1449 ATOM 1296 O GLY B 24 -5.666 2.602 -6.920 1.00 19.91 1THB1450 ATOM 1297 N GLY B 25 -6.083 3.343 -8.956 1.00 16.35 1THB1451 ATOM 1298 CA GLY B 25 -5.063 2.434 -9.522 1.00 16.04 1THB1452 ATOM 1299 C GLY B 25 -3.655 2.877 -9.069 1.00 16.94 1THB1453 ATOM 1300 O GLY B 25 -2.848 1.961 -8.744 1.00 22.46 1THB1454 ATOM 1301 N GLU B 26 -3.460 4.179 -8.956 1.00 17.22 1THB1455 ATOM 1302 CA GLU B 26 -2.175 4.754 -8.527 1.00 16.40 1THB1456 ATOM 1303 C GLU B 26 -1.908 4.425 -7.051 1.00 22.27 1THB1457 ATOM 1304 O GLU B 26 -0.776 3.991 -6.741 1.00 18.93 1THB1458 ATOM 1305 CB GLU B 26 -2.326 6.231 -8.750 1.00 18.90 1THB1459 ATOM 1306 CG GLU B 26 -1.363 7.338 -8.923 1.00 70.22 1THB1460 ATOM 1307 CD GLU B 26 -0.120 7.042 -9.719 1.00 76.31 1THB1461 ATOM 1308 OE1 GLU B 26 -0.226 6.338 -10.711 1.00 75.74 1THB1462 ATOM 1309 OE2 GLU B 26 0.976 7.531 -9.335 1.00 49.60 1THB1463 ATOM 1310 N ALA B 27 -2.908 4.615 -6.178 1.00 18.60 1THB1464 ATOM 1311 CA ALA B 27 -2.645 4.330 -4.724 1.00 15.75 1THB1465 ATOM 1312 C ALA B 27 -2.449 2.853 -4.456 1.00 18.79 1THB1466 ATOM 1313 O ALA B 27 -1.533 2.388 -3.754 1.00 16.81 1THB1467 ATOM 1314 CB ALA B 27 -3.780 4.914 -4.002 1.00 16.68 1THB1468 ATOM 1315 N LEU B 28 -3.297 2.022 -5.096 1.00 14.38 1THB1469 ATOM 1316 CA LEU B 28 -3.126 0.594 -4.922 1.00 15.87 1THB1470 ATOM 1317 C LEU B 28 -1.821 0.106 -5.573 1.00 15.96 1THB1471 ATOM 1318 O LEU B 28 -1.151 -0.668 -4.886 1.00 15.71 1THB1472 ATOM 1319 CB LEU B 28 -4.404 -0.155 -5.402 1.00 16.17 1THB1473 ATOM 1320 CG LEU B 28 -4.298 -1.647 -5.138 1.00 22.59 1THB1474 ATOM 1321 CD1 LEU B 28 -4.404 -2.015 -3.653 1.00 20.60 1THB1475 ATOM 1322 CD2 LEU B 28 -5.317 -2.416 -5.979 1.00 26.46 1THB1476 ATOM 1323 N GLY B 29 -1.540 0.592 -6.799 1.00 15.07 1THB1477 ATOM 1324 CA GLY B 29 -0.248 0.084 -7.369 1.00 13.43 1THB1478 ATOM 1325 C GLY B 29 0.942 0.569 -6.484 1.00 12.54 1THB1479 ATOM 1326 O GLY B 29 1.808 -0.282 -6.263 1.00 15.73 1THB1480 ATOM 1327 N ARG B 30 0.946 1.796 -6.013 1.00 12.96 1THB1481 ATOM 1328 CA ARG B 30 2.058 2.294 -5.175 1.00 13.04 1THB1482 ATOM 1329 C ARG B 30 2.109 1.446 -3.903 1.00 21.87 1THB1483 ATOM 1330 O ARG B 30 3.215 1.159 -3.403 1.00 16.27 1THB1484 ATOM 1331 CB ARG B 30 1.945 3.751 -4.892 1.00 14.19 1THB1485 ATOM 1332 CG ARG B 30 2.434 4.550 -6.085 1.00 15.78 1THB1486 ATOM 1333 CD ARG B 30 2.302 5.975 -5.696 1.00 15.63 1THB1487 ATOM 1334 NE ARG B 30 2.700 6.808 -6.873 1.00 24.61 1THB1488 ATOM 1335 CZ ARG B 30 3.776 7.514 -7.224 1.00 25.48 1THB1489 ATOM 1336 NH1 ARG B 30 3.935 8.218 -8.347 1.00 20.30 1THB1490 ATOM 1337 NH2 ARG B 30 4.749 7.623 -6.306 1.00 17.18 1THB1491 ATOM 1338 N LEU B 31 0.952 1.103 -3.313 1.00 16.71 1THB1492 ATOM 1339 CA LEU B 31 1.023 0.285 -2.098 1.00 15.21 1THB1493 ATOM 1340 C LEU B 31 1.851 -0.971 -2.333 1.00 17.39 1THB1494 ATOM 1341 O LEU B 31 2.755 -1.418 -1.561 1.00 16.06 1THB1495 ATOM 1342 CB LEU B 31 -0.454 -0.051 -1.716 1.00 14.06 1THB1496 ATOM 1343 CG LEU B 31 -0.457 -1.001 -0.445 1.00 19.39 1THB1497 ATOM 1344 CD1 LEU B 31 -0.098 -0.185 0.829 1.00 15.62 1THB1498 ATOM 1345 CD2 LEU B 31 -1.751 -1.744 -0.341 1.00 16.67 1THB1499 ATOM 1346 N LEU B 32 1.546 -1.635 -3.436 1.00 12.18 1THB1500 ATOM 1347 CA LEU B 32 2.193 -2.905 -3.763 1.00 16.20 1THB1501 ATOM 1348 C LEU B 32 3.694 -2.804 -4.147 1.00 12.93 1THB1502 ATOM 1349 O LEU B 32 4.334 -3.813 -3.956 1.00 17.27 1THB1503 ATOM 1350 CB LEU B 32 1.297 -3.432 -4.936 1.00 20.69 1THB1504 ATOM 1351 CG LEU B 32 0.185 -4.381 -4.413 1.00 30.39 1THB1505 ATOM 1352 CD1 LEU B 32 -0.507 -3.773 -3.253 1.00 33.54 1THB1506 ATOM 1353 CD2 LEU B 32 -0.738 -4.589 -5.605 1.00 30.91 1THB1507 ATOM 1354 N VAL B 33 4.019 -1.629 -4.659 1.00 15.72 1THB1508 ATOM 1355 CA VAL B 33 5.405 -1.353 -5.052 1.00 16.39 1THB1509 ATOM 1356 C VAL B 33 6.151 -0.951 -3.777 1.00 16.37 1THB1510 ATOM 1357 O VAL B 33 7.275 -1.445 -3.536 1.00 17.08 1THB1511 ATOM 1358 CB VAL B 33 5.553 -0.226 -6.135 1.00 15.80 1THB1512 ATOM 1359 CG1 VAL B 33 7.059 0.089 -6.342 1.00 16.92 1THB1513 ATOM 1360 CG2 VAL B 33 4.928 -0.649 -7.435 1.00 17.20 1THB1514 ATOM 1361 N VAL B 34 5.649 -0.017 -3.009 1.00 15.22 1THB1515 ATOM 1362 CA VAL B 34 6.412 0.488 -1.782 1.00 16.22 1THB1516 ATOM 1363 C VAL B 34 6.382 -0.523 -0.617 1.00 15.86 1THB1517 ATOM 1364 O VAL B 34 7.454 -0.459 -0.001 1.00 16.33 1THB1518 ATOM 1365 CB VAL B 34 5.860 1.875 -1.435 1.00 18.24 1THB1519 ATOM 1366 CG1 VAL B 34 6.547 2.444 -0.168 1.00 14.44 1THB1520 ATOM 1367 CG2 VAL B 34 5.847 2.783 -2.640 1.00 15.27 1THB1521 ATOM 1368 N TYR B 35 5.369 -1.268 -0.390 1.00 13.13 1THB1522 ATOM 1369 CA TYR B 35 5.233 -2.237 0.692 1.00 13.43 1THB1523 ATOM 1370 C TYR B 35 4.976 -3.496 0.008 1.00 12.97 1THB1524 ATOM 1371 O TYR B 35 3.840 -3.986 0.002 1.00 15.62 1THB1525 ATOM 1372 CB TYR B 35 4.079 -1.823 1.636 1.00 14.34 1THB1526 ATOM 1373 CG TYR B 35 4.287 -0.421 2.100 1.00 16.71 1THB1527 ATOM 1374 CD1 TYR B 35 5.389 -0.121 3.009 1.00 15.08 1THB1528 ATOM 1375 CD2 TYR B 35 3.514 0.632 1.618 1.00 20.15 1THB1529 ATOM 1376 CE1 TYR B 35 5.705 1.164 3.406 1.00 13.39 1THB1530 ATOM 1377 CE2 TYR B 35 3.776 1.932 2.065 1.00 30.86 1THB1531 ATOM 1378 CZ TYR B 35 4.848 2.199 2.942 1.00 22.94 1THB1532 ATOM 1379 OH TYR B 35 5.038 3.489 3.248 1.00 22.61 1THB1533 ATOM 1380 N PRO B 36 5.967 -4.131 -0.592 1.00 14.99 1THB1534 ATOM 1381 CA PRO B 36 5.718 -5.291 -1.420 1.00 18.54 1THB1535 ATOM 1382 C PRO B 36 5.104 -6.470 -0.705 1.00 20.36 1THB1536 ATOM 1383 O PRO B 36 4.558 -7.375 -1.383 1.00 17.27 1THB1537 ATOM 1384 CB PRO B 36 7.069 -5.618 -2.082 1.00 18.19 1THB1538 ATOM 1385 CG PRO B 36 8.079 -4.831 -1.288 1.00 16.61 1THB1539 ATOM 1386 CD PRO B 36 7.376 -3.642 -0.697 1.00 13.76 1THB1540 ATOM 1387 N TRP B 37 5.160 -6.515 0.693 1.00 19.35 1THB1541 ATOM 1388 CA TRP B 37 4.537 -7.707 1.403 1.00 22.28 1THB1542 ATOM 1389 C TRP B 37 2.967 -7.653 1.211 1.00 12.02 1THB1543 ATOM 1390 O TRP B 37 2.421 -8.738 1.345 1.00 19.44 1THB1544 ATOM 1391 CB TRP B 37 4.969 -7.749 2.862 1.00 19.34 1THB1545 ATOM 1392 CG TRP B 37 4.744 -6.479 3.601 1.00 13.10 1THB1546 ATOM 1393 CD1 TRP B 37 3.663 -6.175 4.377 1.00 17.07 1THB1547 ATOM 1394 CD2 TRP B 37 5.672 -5.344 3.728 1.00 19.36 1THB1548 ATOM 1395 NE1 TRP B 37 3.863 -4.920 4.913 1.00 20.67 1THB1549 ATOM 1396 CE2 TRP B 37 5.077 -4.399 4.587 1.00 17.50 1THB1550 ATOM 1397 CE3 TRP B 37 6.962 -5.098 3.173 1.00 20.50 1THB1551 ATOM 1398 CZ2 TRP B 37 5.661 -3.172 4.933 1.00 21.62 1THB1552 ATOM 1399 CZ3 TRP B 37 7.567 -3.900 3.531 1.00 20.10 1THB1553 ATOM 1400 CH2 TRP B 37 6.979 -2.948 4.407 1.00 20.06 1THB1554 ATOM 1401 N THR B 38 2.457 -6.444 0.891 1.00 13.73 1THB1555 ATOM 1402 CA THR B 38 1.007 -6.318 0.644 1.00 13.20 1THB1556 ATOM 1403 C THR B 38 0.625 -7.065 -0.631 1.00 17.46 1THB1557 ATOM 1404 O THR B 38 -0.540 -7.295 -0.786 1.00 16.70 1THB1558 ATOM 1405 CB THR B 38 0.649 -4.817 0.514 1.00 15.36 1THB1559 ATOM 1406 OG1 THR B 38 1.285 -4.199 -0.652 1.00 16.89 1THB1560 ATOM 1407 CG2 THR B 38 1.117 -4.142 1.855 1.00 16.42 1THB1561 ATOM 1408 N GLN B 39 1.624 -7.525 -1.437 1.00 15.35 1THB1562 ATOM 1409 CA GLN B 39 1.262 -8.343 -2.673 1.00 18.64 1THB1563 ATOM 1410 C GLN B 39 0.718 -9.690 -2.341 1.00 16.09 1THB1564 ATOM 1411 O GLN B 39 0.148 -10.387 -3.142 1.00 18.52 1THB1565 ATOM 1412 CB GLN B 39 2.536 -8.547 -3.534 1.00 13.61 1THB1566 ATOM 1413 CG GLN B 39 2.894 -7.126 -4.044 1.00 15.81 1THB1567 ATOM 1414 CD GLN B 39 4.232 -7.253 -4.833 1.00 26.71 1THB1568 ATOM 1415 OE1 GLN B 39 4.600 -8.389 -5.181 1.00 23.38 1THB1569 ATOM 1416 NE2 GLN B 39 4.938 -6.164 -5.108 1.00 21.65 1THB1570 ATOM 1417 N ARG B 40 0.891 -10.021 -1.016 1.00 16.73 1THB1571 ATOM 1418 CA ARG B 40 0.456 -11.323 -0.553 1.00 18.09 1THB1572 ATOM 1419 C ARG B 40 -1.042 -11.596 -0.874 1.00 22.68 1THB1573 ATOM 1420 O ARG B 40 -1.374 -12.776 -0.948 1.00 22.73 1THB1574 ATOM 1421 CB ARG B 40 0.757 -11.569 0.977 1.00 14.90 1THB1575 ATOM 1422 CG ARG B 40 -0.083 -10.623 1.856 1.00 20.90 1THB1576 ATOM 1423 CD ARG B 40 0.414 -10.455 3.325 1.00 24.33 1THB1577 ATOM 1424 NE ARG B 40 0.453 -11.838 3.806 1.00 26.52 1THB1578 ATOM 1425 CZ ARG B 40 -0.416 -12.709 4.325 1.00 68.53 1THB1579 ATOM 1426 NH1 ARG B 40 -1.734 -12.482 4.404 1.00 32.18 1THB1580 ATOM 1427 NH2 ARG B 40 -0.067 -13.930 4.875 1.00 31.73 1THB1581 ATOM 1428 N PHE B 41 -1.833 -10.520 -0.943 1.00 16.16 1THB1582 ATOM 1429 CA PHE B 41 -3.261 -10.724 -1.188 1.00 20.95 1THB1583 ATOM 1430 C PHE B 41 -3.597 -10.812 -2.685 1.00 26.42 1THB1584 ATOM 1431 O PHE B 41 -4.775 -11.066 -2.963 1.00 22.19 1THB1585 ATOM 1432 CB PHE B 41 -4.003 -9.507 -0.540 1.00 19.97 1THB1586 ATOM 1433 CG PHE B 41 -3.710 -9.406 0.982 1.00 18.25 1THB1587 ATOM 1434 CD1 PHE B 41 -2.834 -8.417 1.463 1.00 19.65 1THB1588 ATOM 1435 CD2 PHE B 41 -4.314 -10.347 1.844 1.00 17.18 1THB1589 ATOM 1436 CE1 PHE B 41 -2.562 -8.414 2.836 1.00 28.95 1THB1590 ATOM 1437 CE2 PHE B 41 -4.057 -10.346 3.219 1.00 16.93 1THB1591 ATOM 1438 CZ PHE B 41 -3.161 -9.362 3.662 1.00 17.54 1THB1592 ATOM 1439 N PHE B 42 -2.651 -10.590 -3.554 1.00 18.12 1THB1593 ATOM 1440 CA PHE B 42 -3.003 -10.468 -5.005 1.00 19.40 1THB1594 ATOM 1441 C PHE B 42 -2.202 -11.386 -5.933 1.00 22.27 1THB1595 ATOM 1442 O PHE B 42 -1.740 -11.014 -7.003 1.00 32.26 1THB1596 ATOM 1443 CB PHE B 42 -2.646 -9.022 -5.338 1.00 15.95 1THB1597 ATOM 1444 CG PHE B 42 -3.440 -8.046 -4.484 1.00 22.76 1THB1598 ATOM 1445 CD1 PHE B 42 -2.852 -7.320 -3.429 1.00 20.74 1THB1599 ATOM 1446 CD2 PHE B 42 -4.802 -7.886 -4.660 1.00 21.33 1THB1600 ATOM 1447 CE1 PHE B 42 -3.632 -6.406 -2.692 1.00 21.24 1THB1601 ATOM 1448 CE2 PHE B 42 -5.593 -6.980 -3.915 1.00 22.78 1THB1602 ATOM 1449 CZ PHE B 42 -4.967 -6.191 -2.934 1.00 23.25 1THB1603 ATOM 1450 N GLU B 43 -2.024 -12.593 -5.496 1.00 22.74 1THB1604 ATOM 1451 CA GLU B 43 -1.291 -13.581 -6.326 1.00 55.87 1THB1605 ATOM 1452 C GLU B 43 -1.889 -13.911 -7.694 1.00 52.90 1THB1606 ATOM 1453 O GLU B 43 -1.237 -14.164 -8.744 1.00 58.49 1THB1607 ATOM 1454 CB GLU B 43 -1.380 -14.805 -5.424 1.00 66.99 1THB1608 ATOM 1455 CG GLU B 43 -0.504 -14.555 -4.134 1.00 77.27 1THB1609 ATOM 1456 CD GLU B 43 -0.129 -15.995 -3.730 1.00 77.27 1THB1610 ATOM 1457 OE1 GLU B 43 -1.002 -16.682 -3.161 1.00 77.11 1THB1611 ATOM 1458 OE2 GLU B 43 1.035 -16.242 -4.201 1.00 70.41 1THB1612 ATOM 1459 N SER B 44 -3.217 -13.901 -7.631 1.00 29.28 1THB1613 ATOM 1460 CA SER B 44 -4.148 -14.128 -8.741 1.00 25.21 1THB1614 ATOM 1461 C SER B 44 -4.160 -12.940 -9.720 1.00 26.40 1THB1615 ATOM 1462 O SER B 44 -4.861 -13.026 -10.786 1.00 31.13 1THB1616 ATOM 1463 CB SER B 44 -5.534 -14.377 -8.147 1.00 31.28 1THB1617 ATOM 1464 OG SER B 44 -6.142 -13.101 -7.899 1.00 35.52 1THB1618 ATOM 1465 N PHE B 45 -3.491 -11.798 -9.399 1.00 20.05 1THB1619 ATOM 1466 CA PHE B 45 -3.486 -10.597 -10.225 1.00 20.10 1THB1620 ATOM 1467 C PHE B 45 -2.391 -10.707 -11.309 1.00 26.74 1THB1621 ATOM 1468 O PHE B 45 -2.311 -9.806 -12.131 1.00 34.70 1THB1622 ATOM 1469 CB PHE B 45 -3.241 -9.276 -9.483 1.00 30.19 1THB1623 ATOM 1470 CG PHE B 45 -4.500 -8.712 -8.844 1.00 27.20 1THB1624 ATOM 1471 CD1 PHE B 45 -4.512 -7.361 -8.538 1.00 29.23 1THB1625 ATOM 1472 CD2 PHE B 45 -5.532 -9.612 -8.483 1.00 30.29 1THB1626 ATOM 1473 CE1 PHE B 45 -5.641 -6.806 -7.914 1.00 37.27 1THB1627 ATOM 1474 CE2 PHE B 45 -6.659 -9.120 -7.836 1.00 31.05 1THB1628 ATOM 1475 CZ PHE B 45 -6.685 -7.706 -7.608 1.00 26.45 1THB1629 ATOM 1476 N GLY B 46 -1.561 -11.720 -11.281 1.00 27.86 1THB1630 ATOM 1477 CA GLY B 46 -0.430 -11.956 -12.165 1.00 35.13 1THB1631 ATOM 1478 C GLY B 46 0.908 -11.408 -11.599 1.00 52.46 1THB1632 ATOM 1479 O GLY B 46 1.225 -11.576 -10.381 1.00 46.23 1THB1633 ATOM 1480 N ASP B 47 1.494 -10.767 -12.634 1.00 32.96 1THB1634 ATOM 1481 CA ASP B 47 2.796 -10.110 -12.598 1.00 32.82 1THB1635 ATOM 1482 C ASP B 47 2.749 -8.706 -11.955 1.00 22.23 1THB1636 ATOM 1483 O ASP B 47 2.257 -7.640 -12.419 1.00 30.10 1THB1637 ATOM 1484 CB ASP B 47 3.459 -9.991 -14.003 1.00 36.38 1THB1638 ATOM 1485 CG ASP B 47 4.923 -9.541 -13.987 1.00 38.45 1THB1639 ATOM 1486 OD1 ASP B 47 5.281 -8.818 -14.940 1.00 62.23 1THB1640 ATOM 1487 OD2 ASP B 47 5.584 -10.022 -13.002 1.00 44.11 1THB1641 ATOM 1488 N LEU B 48 3.478 -8.792 -10.806 1.00 32.91 1THB1642 ATOM 1489 CA LEU B 48 3.686 -7.622 -9.903 1.00 25.25 1THB1643 ATOM 1490 C LEU B 48 5.171 -7.554 -9.651 1.00 35.02 1THB1644 ATOM 1491 O LEU B 48 5.640 -7.007 -8.645 1.00 28.80 1THB1645 ATOM 1492 CB LEU B 48 2.874 -7.997 -8.630 1.00 28.74 1THB1646 ATOM 1493 CG LEU B 48 1.350 -8.284 -8.737 1.00 21.50 1THB1647 ATOM 1494 CD1 LEU B 48 0.834 -8.763 -7.373 1.00 23.40 1THB1648 ATOM 1495 CD2 LEU B 48 0.730 -6.988 -9.265 1.00 20.10 1THB1649 ATOM 1496 N SER B 49 5.942 -8.147 -10.542 1.00 27.85 1THB1650 ATOM 1497 CA SER B 49 7.388 -8.277 -10.455 1.00 42.14 1THB1651 ATOM 1498 C SER B 49 8.067 -6.915 -10.509 1.00 28.78 1THB1652 ATOM 1499 O SER B 49 9.128 -6.906 -9.843 1.00 58.75 1THB1653 ATOM 1500 CB SER B 49 8.077 -9.196 -11.472 1.00 32.05 1THB1654 ATOM 1501 OG SER B 49 7.783 -8.903 -12.836 1.00 66.77 1THB1655 ATOM 1502 N THR B 50 7.578 -5.928 -11.222 1.00 25.82 1THB1656 ATOM 1503 CA THR B 50 8.356 -4.691 -11.240 1.00 23.92 1THB1657 ATOM 1504 C THR B 50 7.367 -3.548 -11.093 1.00 21.15 1THB1658 ATOM 1505 O THR B 50 6.155 -3.871 -11.231 1.00 26.66 1THB1659 ATOM 1506 CB THR B 50 9.155 -4.662 -12.626 1.00 34.22 1THB1660 ATOM 1507 OG1 THR B 50 8.209 -4.248 -13.639 1.00 37.68 1THB1661 ATOM 1508 CG2 THR B 50 9.554 -6.010 -13.229 1.00 47.42 1THB1662 ATOM 1509 N PRO B 51 7.844 -2.324 -10.923 1.00 22.23 1THB1663 ATOM 1510 CA PRO B 51 6.924 -1.210 -10.778 1.00 19.43 1THB1664 ATOM 1511 C PRO B 51 6.021 -1.143 -11.971 1.00 24.69 1THB1665 ATOM 1512 O PRO B 51 4.771 -0.981 -11.866 1.00 23.49 1THB1666 ATOM 1513 CB PRO B 51 7.788 0.006 -10.404 1.00 27.40 1THB1667 ATOM 1514 CG PRO B 51 8.990 -0.670 -9.758 1.00 30.58 1THB1668 ATOM 1515 CD PRO B 51 9.242 -1.909 -10.673 1.00 23.48 1THB1669 ATOM 1516 N ASP B 52 6.495 -1.278 -13.219 1.00 33.02 1THB1670 ATOM 1517 CA ASP B 52 5.581 -1.193 -14.412 1.00 25.68 1THB1671 ATOM 1518 C ASP B 52 4.616 -2.397 -14.470 1.00 17.30 1THB1672 ATOM 1519 O ASP B 52 3.554 -2.001 -14.938 1.00 24.05 1THB1673 ATOM 1520 CB ASP B 52 6.225 -1.078 -15.831 1.00 39.72 1THB1674 ATOM 1521 CG ASP B 52 7.577 -0.357 -15.761 1.00 74.26 1THB1675 ATOM 1522 OD1 ASP B 52 8.702 -0.887 -15.874 1.00 70.08 1THB1676 ATOM 1523 OD2 ASP B 52 7.369 0.865 -15.478 1.00 41.87 1THB1677 ATOM 1524 N ALA B 53 5.056 -3.599 -14.063 1.00 18.57 1THB1678 ATOM 1525 CA ALA B 53 4.217 -4.779 -14.066 1.00 18.20 1THB1679 ATOM 1526 C ALA B 53 3.061 -4.485 -13.092 1.00 23.18 1THB1680 ATOM 1527 O ALA B 53 1.920 -4.753 -13.359 1.00 21.78 1THB1681 ATOM 1528 CB ALA B 53 4.853 -6.086 -13.673 1.00 22.89 1THB1682 ATOM 1529 N VAL B 54 3.391 -3.900 -11.936 1.00 25.03 1THB1683 ATOM 1530 CA VAL B 54 2.313 -3.576 -10.980 1.00 19.70 1THB1684 ATOM 1531 C VAL B 54 1.413 -2.454 -11.465 1.00 16.93 1THB1685 ATOM 1532 O VAL B 54 0.157 -2.524 -11.527 1.00 19.26 1THB1686 ATOM 1533 CB VAL B 54 3.066 -3.169 -9.633 1.00 17.15 1THB1687 ATOM 1534 CG1 VAL B 54 2.050 -2.407 -8.791 1.00 17.07 1THB1688 ATOM 1535 CG2 VAL B 54 3.728 -4.358 -9.090 1.00 15.61 1THB1689 ATOM 1536 N MET B 55 2.052 -1.283 -11.736 1.00 17.44 1THB1690 ATOM 1537 CA MET B 55 1.289 -0.080 -12.036 1.00 18.29 1THB1691 ATOM 1538 C MET B 55 0.397 -0.224 -13.298 1.00 22.91 1THB1692 ATOM 1539 O MET B 55 -0.667 0.401 -13.311 1.00 20.34 1THB1693 ATOM 1540 CB MET B 55 2.197 1.144 -12.154 1.00 19.10 1THB1694 ATOM 1541 CG MET B 55 3.135 1.446 -11.008 1.00 21.97 1THB1695 ATOM 1542 SD MET B 55 2.132 1.756 -9.489 1.00 21.21 1THB1696 ATOM 1543 CE MET B 55 1.260 3.219 -9.787 1.00 17.19 1THB1697 ATOM 1544 N GLY B 56 0.888 -0.983 -14.304 1.00 17.74 1THB1698 ATOM 1545 CA GLY B 56 0.085 -1.037 -15.522 1.00 18.69 1THB1699 ATOM 1546 C GLY B 56 -0.753 -2.274 -15.547 1.00 20.00 1THB1700 ATOM 1547 O GLY B 56 -1.537 -2.494 -16.477 1.00 22.51 1THB1701 ATOM 1548 N ASN B 57 -0.593 -3.150 -14.550 1.00 21.37 1THB1702 ATOM 1549 CA ASN B 57 -1.383 -4.374 -14.412 1.00 19.59 1THB1703 ATOM 1550 C ASN B 57 -2.868 -3.980 -14.374 1.00 20.87 1THB1704 ATOM 1551 O ASN B 57 -3.415 -3.231 -13.503 1.00 21.54 1THB1705 ATOM 1552 CB ASN B 57 -1.037 -5.008 -13.055 1.00 16.34 1THB1706 ATOM 1553 CG ASN B 57 -1.724 -6.340 -13.018 1.00 17.03 1THB1707 ATOM 1554 OD1 ASN B 57 -2.923 -6.582 -13.215 1.00 21.86 1THB1708 ATOM 1555 ND2 ASN B 57 -0.952 -7.415 -12.766 1.00 23.19 1THB1709 ATOM 1556 N PRO B 58 -3.683 -4.368 -15.389 1.00 23.49 1THB1710 ATOM 1557 CA PRO B 58 -5.093 -4.024 -15.448 1.00 21.61 1THB1711 ATOM 1558 C PRO B 58 -5.956 -4.507 -14.216 1.00 18.03 1THB1712 ATOM 1559 O PRO B 58 -6.962 -3.818 -13.919 1.00 20.55 1THB1713 ATOM 1560 CB PRO B 58 -5.576 -4.682 -16.779 1.00 29.14 1THB1714 ATOM 1561 CG PRO B 58 -4.519 -5.678 -17.144 1.00 25.30 1THB1715 ATOM 1562 CD PRO B 58 -3.200 -5.223 -16.557 1.00 27.50 1THB1716 ATOM 1563 N LYS B 59 -5.526 -5.624 -13.597 1.00 18.63 1THB1717 ATOM 1564 CA LYS B 59 -6.288 -6.063 -12.408 1.00 21.42 1THB1718 ATOM 1565 C LYS B 59 -5.931 -5.120 -11.238 1.00 20.52 1THB1719 ATOM 1566 O LYS B 59 -6.848 -4.923 -10.415 1.00 19.89 1THB1720 ATOM 1567 CB LYS B 59 -5.900 -7.422 -11.960 1.00 23.07 1THB1721 ATOM 1568 CG LYS B 59 -5.951 -8.354 -13.129 1.00 32.57 1THB1722 ATOM 1569 CD LYS B 59 -7.079 -9.277 -13.323 1.00 41.89 1THB1723 ATOM 1570 CE LYS B 59 -6.846 -10.666 -12.792 1.00 77.27 1THB1724 ATOM 1571 NZ LYS B 59 -5.923 -11.609 -13.498 1.00 64.17 1THB1725 ATOM 1572 N VAL B 60 -4.706 -4.655 -11.145 1.00 16.44 1THB1726 ATOM 1573 CA VAL B 60 -4.370 -3.690 -10.052 1.00 15.80 1THB1727 ATOM 1574 C VAL B 60 -5.173 -2.443 -10.218 1.00 23.07 1THB1728 ATOM 1575 O VAL B 60 -5.781 -1.851 -9.331 1.00 22.09 1THB1729 ATOM 1576 CB VAL B 60 -2.864 -3.298 -10.040 1.00 15.76 1THB1730 ATOM 1577 CG1 VAL B 60 -2.650 -2.007 -9.313 1.00 17.80 1THB1731 ATOM 1578 CG2 VAL B 60 -2.281 -4.637 -9.702 1.00 17.41 1THB1732 ATOM 1579 N LYS B 61 -5.277 -1.971 -11.493 1.00 19.55 1THB1733 ATOM 1580 CA LYS B 61 -6.017 -0.734 -11.811 1.00 18.22 1THB1734 ATOM 1581 C LYS B 61 -7.543 -0.862 -11.500 1.00 17.77 1THB1735 ATOM 1582 O LYS B 61 -8.113 0.107 -10.964 1.00 20.14 1THB1736 ATOM 1583 CB LYS B 61 -5.745 -0.302 -13.286 1.00 23.02 1THB1737 ATOM 1584 CG LYS B 61 -4.302 0.078 -13.638 1.00 29.06 1THB1738 ATOM 1585 CD LYS B 61 -4.114 0.305 -15.138 1.00 42.17 1THB1739 ATOM 1586 CE LYS B 61 -3.181 1.424 -15.508 1.00 77.27 1THB1740 ATOM 1587 NZ LYS B 61 -2.657 1.576 -16.900 1.00 77.03 1THB1741 ATOM 1588 N ALA B 62 -8.094 -2.010 -11.927 1.00 19.49 1THB1742 ATOM 1589 CA ALA B 62 -9.502 -2.395 -11.787 1.00 19.17 1THB1743 ATOM 1590 C ALA B 62 -9.774 -2.475 -10.259 1.00 26.71 1THB1744 ATOM 1591 O ALA B 62 -10.742 -1.862 -9.779 1.00 24.39 1THB1745 ATOM 1592 CB ALA B 62 -9.721 -3.781 -12.453 1.00 19.07 1THB1746 ATOM 1593 N HIS B 63 -8.919 -3.202 -9.496 1.00 23.03 1THB1747 ATOM 1594 CA HIS B 63 -9.101 -3.266 -7.990 1.00 16.87 1THB1748 ATOM 1595 C HIS B 63 -8.970 -1.902 -7.318 1.00 16.79 1THB1749 ATOM 1596 O HIS B 63 -9.801 -1.384 -6.504 1.00 19.53 1THB1750 ATOM 1597 CB HIS B 63 -8.206 -4.376 -7.387 1.00 19.32 1THB1751 ATOM 1598 CG HIS B 63 -8.761 -4.649 -5.971 1.00 29.97 1THB1752 ATOM 1599 ND1 HIS B 63 -10.019 -5.138 -5.740 1.00 32.45 1THB1753 ATOM 1600 CD2 HIS B 63 -8.197 -4.425 -4.737 1.00 28.20 1THB1754 ATOM 1601 CE1 HIS B 63 -10.191 -5.229 -4.426 1.00 32.07 1THB1755 ATOM 1602 NE2 HIS B 63 -9.131 -4.800 -3.791 1.00 23.22 1THB1756 ATOM 1603 N GLY B 64 -7.926 -1.071 -7.678 1.00 17.76 1THB1757 ATOM 1604 CA GLY B 64 -7.690 0.280 -7.219 1.00 16.07 1THB1758 ATOM 1605 C GLY B 64 -8.931 1.121 -7.330 1.00 20.47 1THB1759 ATOM 1606 O GLY B 64 -9.315 1.965 -6.516 1.00 20.04 1THB1760 ATOM 1607 N LYS B 65 -9.638 1.015 -8.480 1.00 22.64 1THB1761 ATOM 1608 CA LYS B 65 -10.878 1.763 -8.791 1.00 19.30 1THB1762 ATOM 1609 C LYS B 65 -12.030 1.313 -7.809 1.00 17.15 1THB1763 ATOM 1610 O LYS B 65 -12.783 2.217 -7.298 1.00 21.23 1THB1764 ATOM 1611 CB LYS B 65 -11.137 1.648 -10.288 1.00 26.72 1THB1765 ATOM 1612 CG LYS B 65 -12.483 1.956 -10.923 1.00 35.74 1THB1766 ATOM 1613 CD LYS B 65 -12.483 1.446 -12.399 1.00 46.39 1THB1767 ATOM 1614 CE LYS B 65 -11.063 1.684 -12.927 1.00 77.27 1THB1768 ATOM 1615 NZ LYS B 65 -10.772 1.515 -14.381 1.00 77.27 1THB1769 ATOM 1616 N LYS B 66 -12.124 0.004 -7.485 1.00 22.86 1THB1770 ATOM 1617 CA LYS B 66 -13.205 -0.424 -6.577 1.00 30.09 1THB1771 ATOM 1618 C LYS B 66 -12.831 -0.028 -5.151 1.00 25.47 1THB1772 ATOM 1619 O LYS B 66 -13.751 0.532 -4.557 1.00 23.33 1THB1773 ATOM 1620 CB LYS B 66 -13.718 -1.796 -6.480 1.00 26.81 1THB1774 ATOM 1621 CG LYS B 66 -13.080 -3.010 -6.066 1.00 33.10 1THB1775 ATOM 1622 CD LYS B 66 -13.637 -3.776 -7.302 1.00 31.90 1THB1776 ATOM 1623 CE LYS B 66 -13.983 -5.040 -6.729 1.00 29.08 1THB1777 ATOM 1624 NZ LYS B 66 -14.009 -6.153 -7.755 1.00 24.50 1THB1778 ATOM 1625 N VAL B 67 -11.584 -0.230 -4.839 1.00 21.63 1THB1779 ATOM 1626 CA VAL B 67 -11.222 0.241 -3.468 1.00 18.25 1THB1780 ATOM 1627 C VAL B 67 -11.511 1.709 -3.238 1.00 18.01 1THB1781 ATOM 1628 O VAL B 67 -12.055 2.310 -2.291 1.00 18.69 1THB1782 ATOM 1629 CB VAL B 67 -9.751 -0.281 -3.243 1.00 17.69 1THB1783 ATOM 1630 CG1 VAL B 67 -9.127 0.615 -2.216 1.00 27.70 1THB1784 ATOM 1631 CG2 VAL B 67 -9.736 -1.747 -2.962 1.00 16.64 1THB1785 ATOM 1632 N LEU B 68 -11.114 2.611 -4.147 1.00 17.52 1THB1786 ATOM 1633 CA LEU B 68 -11.281 4.043 -4.007 1.00 19.22 1THB1787 ATOM 1634 C LEU B 68 -12.766 4.466 -4.176 1.00 20.66 1THB1788 ATOM 1635 O LEU B 68 -13.192 5.501 -3.621 1.00 23.05 1THB1789 ATOM 1636 CB LEU B 68 -10.310 4.837 -4.890 1.00 28.33 1THB1790 ATOM 1637 CG LEU B 68 -9.508 6.070 -4.629 1.00 36.85 1THB1791 ATOM 1638 CD1 LEU B 68 -10.294 7.361 -4.900 1.00 71.85 1THB1792 ATOM 1639 CD2 LEU B 68 -9.017 5.987 -3.202 1.00 40.98 1THB1793 ATOM 1640 N GLY B 69 -13.372 3.555 -4.961 1.00 23.66 1THB1794 ATOM 1641 CA GLY B 69 -14.850 3.940 -5.138 1.00 19.92 1THB1795 ATOM 1642 C GLY B 69 -15.550 3.773 -3.792 1.00 23.65 1THB1796 ATOM 1643 O GLY B 69 -16.341 4.692 -3.487 1.00 24.98 1THB1797 ATOM 1644 N ALA B 70 -15.209 2.664 -3.111 1.00 21.23 1THB1798 ATOM 1645 CA ALA B 70 -15.762 2.355 -1.781 1.00 20.98 1THB1799 ATOM 1646 C ALA B 70 -15.305 3.476 -0.846 1.00 21.03 1THB1800 ATOM 1647 O ALA B 70 -16.015 4.043 0.030 1.00 22.93 1THB1801 ATOM 1648 CB ALA B 70 -15.411 0.938 -1.349 1.00 16.90 1THB1802 ATOM 1649 N PHE B 71 -14.078 3.978 -0.965 1.00 19.18 1THB1803 ATOM 1650 CA PHE B 71 -13.533 5.021 -0.076 1.00 21.89 1THB1804 ATOM 1651 C PHE B 71 -14.298 6.329 -0.271 1.00 24.21 1THB1805 ATOM 1652 O PHE B 71 -14.639 7.105 0.622 1.00 21.46 1THB1806 ATOM 1653 CB PHE B 71 -12.036 5.086 -0.354 1.00 20.36 1THB1807 ATOM 1654 CG PHE B 71 -11.343 6.126 0.453 1.00 21.91 1THB1808 ATOM 1655 CD1 PHE B 71 -10.563 5.676 1.543 1.00 28.37 1THB1809 ATOM 1656 CD2 PHE B 71 -11.422 7.475 0.079 1.00 25.66 1THB1810 ATOM 1657 CE1 PHE B 71 -9.877 6.676 2.262 1.00 26.24 1THB1811 ATOM 1658 CE2 PHE B 71 -10.750 8.512 0.796 1.00 29.41 1THB1812 ATOM 1659 CZ PHE B 71 -10.014 8.047 1.926 1.00 23.95 1THB1813 ATOM 1660 N SER B 72 -14.464 6.533 -1.570 1.00 19.27 1THB1814 ATOM 1661 CA SER B 72 -15.188 7.673 -2.101 1.00 28.36 1THB1815 ATOM 1662 C SER B 72 -16.553 7.740 -1.496 1.00 26.62 1THB1816 ATOM 1663 O SER B 72 -17.043 8.789 -1.094 1.00 28.11 1THB1817 ATOM 1664 CB SER B 72 -15.363 7.487 -3.634 1.00 27.19 1THB1818 ATOM 1665 OG SER B 72 -15.250 8.845 -4.019 1.00 39.13 1THB1819 ATOM 1666 N ASP B 73 -17.213 6.620 -1.272 1.00 24.46 1THB1820 ATOM 1667 CA ASP B 73 -18.587 6.635 -0.688 1.00 29.98 1THB1821 ATOM 1668 C ASP B 73 -18.531 6.866 0.793 1.00 45.62 1THB1822 ATOM 1669 O ASP B 73 -19.455 7.512 1.305 1.00 36.92 1THB1823 ATOM 1670 CB ASP B 73 -19.386 5.446 -1.234 1.00 55.05 1THB1824 ATOM 1671 CG ASP B 73 -19.516 5.572 -2.791 1.00 77.27 1THB1825 ATOM 1672 OD1 ASP B 73 -19.999 4.497 -3.290 1.00 74.41 1THB1826 ATOM 1673 OD2 ASP B 73 -19.175 6.557 -3.558 1.00 72.98 1THB1827 ATOM 1674 N GLY B 74 -17.468 6.446 1.439 1.00 30.61 1THB1828 ATOM 1675 CA GLY B 74 -17.283 6.701 2.874 1.00 28.88 1THB1829 ATOM 1676 C GLY B 74 -17.232 8.208 3.101 1.00 40.80 1THB1830 ATOM 1677 O GLY B 74 -17.706 8.692 4.146 1.00 36.93 1THB1831 ATOM 1678 N LEU B 75 -16.674 8.974 2.152 1.00 36.27 1THB1832 ATOM 1679 CA LEU B 75 -16.456 10.420 2.234 1.00 29.19 1THB1833 ATOM 1680 C LEU B 75 -17.808 11.111 2.300 1.00 36.55 1THB1834 ATOM 1681 O LEU B 75 -17.798 12.249 2.785 1.00 42.85 1THB1835 ATOM 1682 CB LEU B 75 -15.557 10.995 1.116 1.00 27.21 1THB1836 ATOM 1683 CG LEU B 75 -14.133 10.537 0.950 1.00 36.74 1THB1837 ATOM 1684 CD1 LEU B 75 -13.259 11.735 0.550 1.00 35.05 1THB1838 ATOM 1685 CD2 LEU B 75 -13.561 10.086 2.278 1.00 36.23 1THB1839 ATOM 1686 N ALA B 76 -18.823 10.425 1.785 1.00 26.69 1THB1840 ATOM 1687 CA ALA B 76 -20.183 11.023 1.858 1.00 32.13 1THB1841 ATOM 1688 C ALA B 76 -20.763 10.782 3.249 1.00 37.92 1THB1842 ATOM 1689 O ALA B 76 -21.752 11.466 3.606 1.00 44.15 1THB1843 ATOM 1690 CB ALA B 76 -21.046 10.455 0.721 1.00 30.97 1THB1844 ATOM 1691 N HIS B 77 -20.184 9.851 4.040 1.00 30.22 1THB1845 ATOM 1692 CA HIS B 77 -20.688 9.483 5.397 1.00 25.48 1THB1846 ATOM 1693 C HIS B 77 -19.716 9.494 6.570 1.00 21.45 1THB1847 ATOM 1694 O HIS B 77 -19.581 8.528 7.345 1.00 30.19 1THB1848 ATOM 1695 CB HIS B 77 -21.219 8.011 5.447 1.00 29.16 1THB1849 ATOM 1696 CG HIS B 77 -22.211 7.966 4.303 1.00 71.91 1THB1850 ATOM 1697 ND1 HIS B 77 -23.470 8.542 4.357 1.00 71.76 1THB1851 ATOM 1698 CD2 HIS B 77 -22.083 7.436 3.046 1.00 51.88 1THB1852 ATOM 1699 CE1 HIS B 77 -24.069 8.322 3.171 1.00 66.06 1THB1853 ATOM 1700 NE2 HIS B 77 -23.263 7.644 2.359 1.00 58.38 1THB1854 ATOM 1701 N LEU B 78 -19.081 10.668 6.590 1.00 28.61 1THB1855 ATOM 1702 CA LEU B 78 -17.985 10.959 7.529 1.00 27.71 1THB1856 ATOM 1703 C LEU B 78 -18.294 10.750 9.012 1.00 33.69 1THB1857 ATOM 1704 O LEU B 78 -17.422 10.452 9.801 1.00 45.95 1THB1858 ATOM 1705 CB LEU B 78 -17.408 12.333 7.319 1.00 28.72 1THB1859 ATOM 1706 CG LEU B 78 -16.103 12.594 6.587 1.00 77.27 1THB1860 ATOM 1707 CD1 LEU B 78 -15.560 11.350 5.891 1.00 44.87 1THB1861 ATOM 1708 CD2 LEU B 78 -16.269 13.722 5.546 1.00 63.47 1THB1862 ATOM 1709 N ASP B 79 -19.530 10.983 9.274 1.00 46.03 1THB1863 ATOM 1710 CA ASP B 79 -20.390 10.987 10.424 1.00 45.59 1THB1864 ATOM 1711 C ASP B 79 -20.562 9.509 10.849 1.00 29.52 1THB1865 ATOM 1712 O ASP B 79 -20.696 9.265 12.065 1.00 44.55 1THB1866 ATOM 1713 CB ASP B 79 -21.751 11.638 10.010 1.00 70.28 1THB1867 ATOM 1714 CG ASP B 79 -22.571 11.136 8.792 1.00 77.27 1THB1868 ATOM 1715 OD1 ASP B 79 -22.363 11.630 7.610 1.00 77.27 1THB1869 ATOM 1716 OD2 ASP B 79 -23.525 10.259 8.778 1.00 74.27 1THB1870 ATOM 1717 N ASN B 80 -20.588 8.637 9.802 1.00 31.58 1THB1871 ATOM 1718 CA ASN B 80 -20.817 7.225 10.166 1.00 32.57 1THB1872 ATOM 1719 C ASN B 80 -19.944 6.216 9.431 1.00 22.05 1THB1873 ATOM 1720 O ASN B 80 -20.436 5.349 8.647 1.00 27.23 1THB1874 ATOM 1721 CB ASN B 80 -22.317 6.979 9.898 1.00 51.37 1THB1875 ATOM 1722 CG ASN B 80 -22.677 5.586 10.486 1.00 77.27 1THB1876 ATOM 1723 OD1 ASN B 80 -23.693 5.022 9.933 1.00 47.01 1THB1877 ATOM 1724 ND2 ASN B 80 -21.847 5.172 11.504 1.00 42.74 1THB1878 ATOM 1725 N LEU B 81 -18.650 6.416 9.672 1.00 23.08 1THB1879 ATOM 1726 CA LEU B 81 -17.717 5.581 8.917 1.00 23.18 1THB1880 ATOM 1727 C LEU B 81 -17.968 4.140 9.253 1.00 25.61 1THB1881 ATOM 1728 O LEU B 81 -17.974 3.219 8.435 1.00 24.15 1THB1882 ATOM 1729 CB LEU B 81 -16.252 6.071 9.171 1.00 19.39 1THB1883 ATOM 1730 CG LEU B 81 -16.013 7.394 8.445 1.00 24.74 1THB1884 ATOM 1731 CD1 LEU B 81 -14.590 7.848 8.774 1.00 25.60 1THB1885 ATOM 1732 CD2 LEU B 81 -16.211 7.199 6.931 1.00 23.86 1THB1886 ATOM 1733 N LYS B 82 -18.322 4.089 10.534 1.00 23.82 1THB1887 ATOM 1734 CA LYS B 82 -18.229 2.691 10.970 1.00 23.14 1THB1888 ATOM 1735 C LYS B 82 -19.402 1.885 10.412 1.00 16.71 1THB1889 ATOM 1736 O LYS B 82 -19.233 0.744 9.957 1.00 22.13 1THB1890 ATOM 1737 CB LYS B 82 -18.260 2.624 12.492 1.00 23.46 1THB1891 ATOM 1738 CG LYS B 82 -16.896 2.322 13.085 1.00 38.35 1THB1892 ATOM 1739 CD LYS B 82 -16.640 3.014 14.414 1.00 68.75 1THB1893 ATOM 1740 CE LYS B 82 -15.167 3.365 14.596 1.00 67.06 1THB1894 ATOM 1741 NZ LYS B 82 -14.604 2.862 15.851 1.00 74.14 1THB1895 ATOM 1742 N GLY B 83 -20.510 2.564 10.320 1.00 25.12 1THB1896 ATOM 1743 CA GLY B 83 -21.616 1.757 9.718 1.00 23.20 1THB1897 ATOM 1744 C GLY B 83 -21.433 1.556 8.189 1.00 19.45 1THB1898 ATOM 1745 O GLY B 83 -21.797 0.438 7.731 1.00 25.76 1THB1899 ATOM 1746 N THR B 84 -20.885 2.726 7.711 1.00 22.85 1THB1900 ATOM 1747 CA THR B 84 -20.696 2.746 6.225 1.00 21.61 1THB1901 ATOM 1748 C THR B 84 -19.852 1.526 5.854 1.00 26.51 1THB1902 ATOM 1749 O THR B 84 -20.189 0.770 4.927 1.00 20.69 1THB1903 ATOM 1750 CB THR B 84 -20.024 4.083 5.734 1.00 29.45 1THB1904 ATOM 1751 OG1 THR B 84 -20.903 5.188 6.007 1.00 32.96 1THB1905 ATOM 1752 CG2 THR B 84 -19.649 4.051 4.248 1.00 27.04 1THB1906 ATOM 1753 N PHE B 85 -18.774 1.324 6.674 1.00 22.08 1THB1907 ATOM 1754 CA PHE B 85 -17.881 0.174 6.331 1.00 18.25 1THB1908 ATOM 1755 C PHE B 85 -18.014 -1.131 6.995 1.00 21.58 1THB1909 ATOM 1756 O PHE B 85 -17.130 -1.976 6.856 1.00 19.33 1THB1910 ATOM 1757 CB PHE B 85 -16.432 0.685 6.640 1.00 16.38 1THB1911 ATOM 1758 CG PHE B 85 -16.124 1.732 5.605 1.00 18.09 1THB1912 ATOM 1759 CD1 PHE B 85 -16.000 3.063 5.880 1.00 25.08 1THB1913 ATOM 1760 CD2 PHE B 85 -15.912 1.279 4.286 1.00 24.33 1THB1914 ATOM 1761 CE1 PHE B 85 -15.611 4.051 4.951 1.00 32.87 1THB1915 ATOM 1762 CE2 PHE B 85 -15.542 2.255 3.319 1.00 27.68 1THB1916 ATOM 1763 CZ PHE B 85 -15.399 3.649 3.628 1.00 27.45 1THB1917 ATOM 1764 N ALA B 86 -19.097 -1.301 7.744 1.00 18.74 1THB1918 ATOM 1765 CA ALA B 86 -19.180 -2.585 8.472 1.00 17.16 1THB1919 ATOM 1766 C ALA B 86 -19.183 -3.852 7.745 1.00 16.56 1THB1920 ATOM 1767 O ALA B 86 -18.497 -4.800 8.169 1.00 17.93 1THB1921 ATOM 1768 CB ALA B 86 -20.457 -2.552 9.361 1.00 19.32 1THB1922 ATOM 1769 N THR B 87 -19.966 -3.864 6.601 1.00 16.61 1THB1923 ATOM 1770 CA THR B 87 -19.928 -5.172 5.879 1.00 13.14 1THB1924 ATOM 1771 C THR B 87 -18.558 -5.328 5.169 1.00 12.88 1THB1925 ATOM 1772 O THR B 87 -18.183 -6.498 5.069 1.00 18.27 1THB1926 ATOM 1773 CB THR B 87 -21.159 -5.249 4.886 1.00 19.82 1THB1927 ATOM 1774 OG1 THR B 87 -21.111 -3.976 4.172 1.00 21.40 1THB1928 ATOM 1775 CG2 THR B 87 -22.469 -5.236 5.732 1.00 21.23 1THB1929 ATOM 1776 N LEU B 88 -17.971 -4.199 4.793 1.00 18.29 1THB1930 ATOM 1777 CA LEU B 88 -16.608 -4.349 4.149 1.00 15.19 1THB1931 ATOM 1778 C LEU B 88 -15.656 -4.823 5.295 1.00 14.92 1THB1932 ATOM 1779 O LEU B 88 -14.772 -5.634 4.972 1.00 16.81 1THB1933 ATOM 1780 CB LEU B 88 -16.211 -3.062 3.503 1.00 16.37 1THB1934 ATOM 1781 CG LEU B 88 -16.601 -2.993 1.998 1.00 20.18 1THB1935 ATOM 1782 CD1 LEU B 88 -16.251 -1.567 1.567 1.00 19.43 1THB1936 ATOM 1783 CD2 LEU B 88 -16.092 -4.196 1.192 1.00 17.64 1THB1937 ATOM 1784 N SER B 89 -15.812 -4.236 6.471 1.00 16.70 1THB1938 ATOM 1785 CA SER B 89 -14.973 -4.597 7.637 1.00 14.57 1THB1939 ATOM 1786 C SER B 89 -15.044 -6.069 7.833 1.00 14.48 1THB1940 ATOM 1787 O SER B 89 -14.106 -6.926 7.912 1.00 18.31 1THB1941 ATOM 1788 CB SER B 89 -15.388 -3.785 8.888 1.00 17.71 1THB1942 ATOM 1789 OG SER B 89 -14.477 -4.294 9.872 1.00 17.33 1THB1943 ATOM 1790 N GLU B 90 -16.315 -6.602 7.999 1.00 13.28 1THB1944 ATOM 1791 CA GLU B 90 -16.366 -8.030 8.211 1.00 13.70 1THB1945 ATOM 1792 C GLU B 90 -15.826 -8.915 7.106 1.00 15.38 1THB1946 ATOM 1793 O GLU B 90 -15.276 -10.041 7.314 1.00 18.63 1THB1947 ATOM 1794 CB GLU B 90 -17.894 -8.176 8.269 1.00 15.94 1THB1948 ATOM 1795 CG GLU B 90 -18.203 -9.667 8.334 1.00 34.91 1THB1949 ATOM 1796 CD GLU B 90 -19.726 -9.516 8.688 1.00 77.27 1THB1950 ATOM 1797 OE1 GLU B 90 -20.367 -8.465 8.433 1.00 66.17 1THB1951 ATOM 1798 OE2 GLU B 90 -20.090 -10.584 9.254 1.00 77.27 1THB1952 ATOM 1799 N LEU B 91 -16.038 -8.399 5.811 1.00 15.74 1THB1953 ATOM 1800 CA LEU B 91 -15.519 -9.173 4.670 1.00 15.31 1THB1954 ATOM 1801 C LEU B 91 -13.928 -9.287 4.736 1.00 11.20 1THB1955 ATOM 1802 O LEU B 91 -13.405 -10.410 4.585 1.00 17.84 1THB1956 ATOM 1803 CB LEU B 91 -15.882 -8.441 3.361 1.00 21.15 1THB1957 ATOM 1804 CG LEU B 91 -15.420 -9.275 2.072 1.00 21.21 1THB1958 ATOM 1805 CD1 LEU B 91 -16.506 -10.263 1.706 1.00 26.45 1THB1959 ATOM 1806 CD2 LEU B 91 -15.095 -8.268 0.991 1.00 30.45 1THB1960 ATOM 1807 N HIS B 92 -13.421 -8.073 4.970 1.00 12.78 1THB1961 ATOM 1808 CA HIS B 92 -11.886 -8.102 4.999 1.00 13.96 1THB1962 ATOM 1809 C HIS B 92 -11.308 -8.987 6.096 1.00 19.17 1THB1963 ATOM 1810 O HIS B 92 -10.298 -9.581 5.965 1.00 16.10 1THB1964 ATOM 1811 CB HIS B 92 -11.432 -6.698 5.160 1.00 14.81 1THB1965 ATOM 1812 CG HIS B 92 -11.441 -6.080 3.768 1.00 20.49 1THB1966 ATOM 1813 ND1 HIS B 92 -12.588 -5.546 3.244 1.00 18.15 1THB1967 ATOM 1814 CD2 HIS B 92 -10.389 -5.823 2.929 1.00 13.19 1THB1968 ATOM 1815 CE1 HIS B 92 -12.316 -4.906 2.103 1.00 17.91 1THB1969 ATOM 1816 NE2 HIS B 92 -11.019 -5.149 1.929 1.00 15.53 1THB1970 ATOM 1817 N CYS B 93 -12.095 -9.073 7.221 1.00 16.48 1THB1971 ATOM 1818 CA CYS B 93 -11.721 -9.875 8.361 1.00 15.68 1THB1972 ATOM 1819 C CYS B 93 -11.947 -11.343 8.085 1.00 17.74 1THB1973 ATOM 1820 O CYS B 93 -11.061 -12.208 7.996 1.00 21.62 1THB1974 ATOM 1821 CB CYS B 93 -12.509 -9.411 9.639 1.00 19.66 1THB1975 ATOM 1822 SG CYS B 93 -11.983 -10.562 10.963 1.00 20.91 1THB1976 ATOM 1823 N ASP B 94 -13.243 -11.649 7.881 1.00 18.25 1THB1977 ATOM 1824 CA ASP B 94 -13.680 -13.075 7.823 1.00 18.48 1THB1978 ATOM 1825 C ASP B 94 -13.352 -13.753 6.505 1.00 20.18 1THB1979 ATOM 1826 O ASP B 94 -13.048 -14.973 6.560 1.00 25.29 1THB1980 ATOM 1827 CB ASP B 94 -15.185 -13.102 8.168 1.00 20.82 1THB1981 ATOM 1828 CG ASP B 94 -15.462 -12.526 9.555 1.00 55.20 1THB1982 ATOM 1829 OD1 ASP B 94 -16.628 -12.089 9.642 1.00 47.05 1THB1983 ATOM 1830 OD2 ASP B 94 -14.569 -12.523 10.442 1.00 30.01 1THB1984 ATOM 1831 N LYS B 95 -13.432 -12.888 5.453 1.00 20.65 1THB1985 ATOM 1832 CA LYS B 95 -13.140 -13.697 4.263 1.00 17.79 1THB1986 ATOM 1833 C LYS B 95 -11.759 -13.496 3.649 1.00 20.87 1THB1987 ATOM 1834 O LYS B 95 -11.192 -14.505 3.164 1.00 25.57 1THB1988 ATOM 1835 CB LYS B 95 -14.173 -13.426 3.171 1.00 24.43 1THB1989 ATOM 1836 CG LYS B 95 -15.553 -13.228 3.836 1.00 66.53 1THB1990 ATOM 1837 CD LYS B 95 -16.285 -14.526 4.212 1.00 71.66 1THB1991 ATOM 1838 CE LYS B 95 -17.366 -14.292 5.274 1.00 77.27 1THB1992 ATOM 1839 NZ LYS B 95 -17.718 -15.476 6.110 1.00 74.69 1THB1993 ATOM 1840 N LEU B 96 -11.351 -12.254 3.644 1.00 14.10 1THB1994 ATOM 1841 CA LEU B 96 -10.094 -12.001 2.909 1.00 13.25 1THB1995 ATOM 1842 C LEU B 96 -8.931 -12.121 3.881 1.00 25.31 1THB1996 ATOM 1843 O LEU B 96 -7.824 -12.175 3.362 1.00 19.36 1THB1997 ATOM 1844 CB LEU B 96 -10.317 -10.582 2.367 1.00 21.09 1THB1998 ATOM 1845 CG LEU B 96 -11.513 -10.193 1.428 1.00 18.78 1THB1999 ATOM 1846 CD1 LEU B 96 -11.363 -8.769 1.053 1.00 16.57 1THB2000 ATOM 1847 CD2 LEU B 96 -11.394 -11.285 0.360 1.00 22.17 1THB2001 ATOM 1848 N HIS B 97 -9.243 -12.043 5.194 1.00 17.14 1THB2002 ATOM 1849 CA HIS B 97 -8.062 -12.137 6.124 1.00 16.21 1THB2003 ATOM 1850 C HIS B 97 -6.997 -11.092 5.938 1.00 12.43 1THB2004 ATOM 1851 O HIS B 97 -5.792 -11.446 6.029 1.00 16.13 1THB2005 ATOM 1852 CB HIS B 97 -7.298 -13.470 6.095 1.00 16.27 1THB2006 ATOM 1853 CG HIS B 97 -8.335 -14.543 6.123 1.00 26.47 1THB2007 ATOM 1854 ND1 HIS B 97 -9.274 -14.681 7.137 1.00 26.62 1THB2008 ATOM 1855 CD2 HIS B 97 -8.523 -15.471 5.136 1.00 28.52 1THB2009 ATOM 1856 CE1 HIS B 97 -10.070 -15.688 6.812 1.00 28.42 1THB2010 ATOM 1857 NE2 HIS B 97 -9.606 -16.178 5.666 1.00 33.01 1THB2011 ATOM 1858 N VAL B 98 -7.412 -9.859 5.746 1.00 14.03 1THB2012 ATOM 1859 CA VAL B 98 -6.479 -8.750 5.538 1.00 14.25 1THB2013 ATOM 1860 C VAL B 98 -6.068 -8.160 6.927 1.00 15.88 1THB2014 ATOM 1861 O VAL B 98 -7.009 -7.542 7.557 1.00 15.75 1THB2015 ATOM 1862 CB VAL B 98 -7.051 -7.653 4.537 1.00 17.87 1THB2016 ATOM 1863 CG1 VAL B 98 -6.118 -6.447 4.464 1.00 15.78 1THB2017 ATOM 1864 CG2 VAL B 98 -7.322 -8.404 3.218 1.00 11.90 1THB2018 ATOM 1865 N ASP B 99 -4.754 -8.152 7.231 1.00 15.88 1THB2019 ATOM 1866 CA ASP B 99 -4.407 -7.397 8.479 1.00 17.48 1THB2020 ATOM 1867 C ASP B 99 -4.737 -5.916 8.293 1.00 13.77 1THB2021 ATOM 1868 O ASP B 99 -4.352 -5.216 7.302 1.00 14.48 1THB2022 ATOM 1869 CB ASP B 99 -2.920 -7.760 8.639 1.00 18.55 1THB2023 ATOM 1870 CG ASP B 99 -2.251 -6.995 9.765 1.00 16.92 1THB2024 ATOM 1871 OD1 ASP B 99 -1.041 -7.185 9.886 1.00 16.75 1THB2025 ATOM 1872 OD2 ASP B 99 -2.883 -6.160 10.419 1.00 15.57 1THB2026 ATOM 1873 N PRO B 100 -5.470 -5.255 9.234 1.00 13.62 1THB2027 ATOM 1874 CA PRO B 100 -5.888 -3.881 9.126 1.00 13.26 1THB2028 ATOM 1875 C PRO B 100 -4.730 -2.921 9.048 1.00 10.68 1THB2029 ATOM 1876 O PRO B 100 -4.985 -1.820 8.583 1.00 14.17 1THB2030 ATOM 1877 CB PRO B 100 -6.793 -3.551 10.313 1.00 17.35 1THB2031 ATOM 1878 CG PRO B 100 -7.046 -4.910 10.930 1.00 17.51 1THB2032 ATOM 1879 CD PRO B 100 -6.089 -6.027 10.440 1.00 13.42 1THB2033 ATOM 1880 N GLU B 101 -3.530 -3.477 9.426 1.00 13.74 1THB2034 ATOM 1881 CA GLU B 101 -2.410 -2.543 9.213 1.00 16.25 1THB2035 ATOM 1882 C GLU B 101 -2.349 -2.134 7.718 1.00 10.82 1THB2036 ATOM 1883 O GLU B 101 -1.912 -1.034 7.385 1.00 14.43 1THB2037 ATOM 1884 CB GLU B 101 -1.087 -3.251 9.666 1.00 15.97 1THB2038 ATOM 1885 CG GLU B 101 0.072 -2.246 9.469 1.00 28.15 1THB2039 ATOM 1886 CD GLU B 101 0.083 -0.917 10.279 1.00 33.23 1THB2040 ATOM 1887 OE1 GLU B 101 0.793 -0.005 9.765 1.00 35.88 1THB2041 ATOM 1888 OE2 GLU B 101 -0.657 -1.025 11.344 1.00 28.73 1THB2042 ATOM 1889 N ASN B 102 -2.824 -2.998 6.838 1.00 12.91 1THB2043 ATOM 1890 CA ASN B 102 -2.786 -2.662 5.350 1.00 11.48 1THB2044 ATOM 1891 C ASN B 102 -3.605 -1.457 5.024 1.00 15.45 1THB2045 ATOM 1892 O ASN B 102 -3.268 -0.657 4.110 1.00 16.47 1THB2046 ATOM 1893 CB ASN B 102 -3.323 -3.844 4.609 1.00 13.06 1THB2047 ATOM 1894 CG ASN B 102 -2.369 -5.061 4.688 1.00 22.79 1THB2048 ATOM 1895 OD1 ASN B 102 -2.543 -6.152 5.319 1.00 27.36 1THB2049 ATOM 1896 ND2 ASN B 102 -1.290 -4.785 4.016 1.00 18.56 1THB2050 ATOM 1897 N PHE B 103 -4.687 -1.261 5.817 1.00 13.89 1THB2051 ATOM 1898 CA PHE B 103 -5.547 -0.095 5.559 1.00 15.08 1THB2052 ATOM 1899 C PHE B 103 -4.835 1.192 5.918 1.00 16.44 1THB2053 ATOM 1900 O PHE B 103 -5.106 2.236 5.348 1.00 17.68 1THB2054 ATOM 1901 CB PHE B 103 -6.878 -0.104 6.342 1.00 16.57 1THB2055 ATOM 1902 CG PHE B 103 -7.603 -1.437 6.214 1.00 19.05 1THB2056 ATOM 1903 CD1 PHE B 103 -7.713 -2.054 4.942 1.00 15.67 1THB2057 ATOM 1904 CD2 PHE B 103 -8.228 -2.012 7.363 1.00 23.16 1THB2058 ATOM 1905 CE1 PHE B 103 -8.400 -3.273 4.843 1.00 19.46 1THB2059 ATOM 1906 CE2 PHE B 103 -8.945 -3.240 7.245 1.00 18.34 1THB2060 ATOM 1907 CZ PHE B 103 -8.996 -3.857 5.997 1.00 19.41 1THB2061 ATOM 1908 N ARG B 104 -3.973 1.040 6.981 1.00 16.16 1THB2062 ATOM 1909 CA ARG B 104 -3.248 2.268 7.373 1.00 14.24 1THB2063 ATOM 1910 C ARG B 104 -2.151 2.617 6.297 1.00 14.16 1THB2064 ATOM 1911 O ARG B 104 -1.936 3.792 5.973 1.00 15.70 1THB2065 ATOM 1912 CB ARG B 104 -2.585 2.103 8.770 1.00 14.25 1THB2066 ATOM 1913 CG ARG B 104 -3.601 1.563 9.771 1.00 28.84 1THB2067 ATOM 1914 CD ARG B 104 -3.089 1.778 11.162 1.00 41.63 1THB2068 ATOM 1915 NE ARG B 104 -4.082 1.533 12.200 1.00 77.27 1THB2069 ATOM 1916 CZ ARG B 104 -4.766 0.367 12.341 1.00 77.27 1THB2070 ATOM 1917 NH1 ARG B 104 -4.133 -0.854 12.375 1.00 70.09 1THB2071 ATOM 1918 NH2 ARG B 104 -6.117 0.557 12.440 1.00 75.23 1THB2072 ATOM 1919 N LEU B 105 -1.496 1.508 5.811 1.00 13.17 1THB2073 ATOM 1920 CA LEU B 105 -0.458 1.768 4.785 1.00 16.04 1THB2074 ATOM 1921 C LEU B 105 -1.125 2.436 3.574 1.00 16.82 1THB2075 ATOM 1922 O LEU B 105 -0.594 3.431 3.070 1.00 18.65 1THB2076 ATOM 1923 CB LEU B 105 0.153 0.368 4.412 1.00 15.39 1THB2077 ATOM 1924 CG LEU B 105 1.119 -0.259 5.412 1.00 17.47 1THB2078 ATOM 1925 CD1 LEU B 105 1.551 -1.575 4.815 1.00 18.42 1THB2079 ATOM 1926 CD2 LEU B 105 2.256 0.719 5.760 1.00 20.41 1THB2080 ATOM 1927 N LEU B 106 -2.280 1.779 3.200 1.00 12.77 1THB2081 ATOM 1928 CA LEU B 106 -2.896 2.413 1.980 1.00 12.12 1THB2082 ATOM 1929 C LEU B 106 -3.235 3.813 2.229 1.00 14.20 1THB2083 ATOM 1930 O LEU B 106 -3.095 4.707 1.378 1.00 16.97 1THB2084 ATOM 1931 CB LEU B 106 -4.147 1.606 1.623 1.00 15.90 1THB2085 ATOM 1932 CG LEU B 106 -4.826 2.131 0.332 1.00 24.76 1THB2086 ATOM 1933 CD1 LEU B 106 -3.922 2.004 -0.898 1.00 16.92 1THB2087 ATOM 1934 CD2 LEU B 106 -6.057 1.274 0.046 1.00 28.55 1THB2088 ATOM 1935 N GLY B 107 -3.721 4.175 3.464 1.00 14.19 1THB2089 ATOM 1936 CA GLY B 107 -4.069 5.592 3.743 1.00 14.33 1THB2090 ATOM 1937 C GLY B 107 -2.881 6.505 3.587 1.00 12.33 1THB2091 ATOM 1938 O GLY B 107 -3.004 7.598 3.009 1.00 17.55 1THB2092 ATOM 1939 N ASN B 108 -1.722 6.056 4.048 1.00 13.96 1THB2093 ATOM 1940 CA ASN B 108 -0.526 6.910 3.880 1.00 18.35 1THB2094 ATOM 1941 C ASN B 108 -0.125 7.069 2.368 1.00 12.85 1THB2095 ATOM 1942 O ASN B 108 0.214 8.183 2.036 1.00 16.27 1THB2096 ATOM 1943 CB ASN B 108 0.672 6.366 4.672 1.00 19.50 1THB2097 ATOM 1944 CG ASN B 108 0.301 6.726 6.146 1.00 30.78 1THB2098 ATOM 1945 OD1 ASN B 108 -0.482 7.682 6.487 1.00 28.06 1THB2099 ATOM 1946 ND2 ASN B 108 0.945 5.830 6.850 1.00 35.26 1THB2100 ATOM 1947 N VAL B 109 -0.238 5.922 1.735 1.00 16.06 1THB2101 ATOM 1948 CA VAL B 109 0.117 5.987 0.255 1.00 16.71 1THB2102 ATOM 1949 C VAL B 109 -0.846 6.957 -0.452 1.00 16.93 1THB2103 ATOM 1950 O VAL B 109 -0.467 7.751 -1.303 1.00 17.14 1THB2104 ATOM 1951 CB VAL B 109 0.066 4.607 -0.444 1.00 16.64 1THB2105 ATOM 1952 CG1 VAL B 109 0.066 4.703 -1.968 1.00 16.63 1THB2106 ATOM 1953 CG2 VAL B 109 1.190 3.752 0.146 1.00 18.54 1THB2107 ATOM 1954 N LEU B 110 -2.092 6.759 -0.042 1.00 13.82 1THB2108 ATOM 1955 CA LEU B 110 -3.122 7.621 -0.623 1.00 16.23 1THB2109 ATOM 1956 C LEU B 110 -2.776 9.118 -0.413 1.00 23.83 1THB2110 ATOM 1957 O LEU B 110 -2.868 10.011 -1.340 1.00 19.17 1THB2111 ATOM 1958 CB LEU B 110 -4.525 7.233 -0.106 1.00 18.22 1THB2112 ATOM 1959 CG LEU B 110 -5.609 8.248 -0.671 1.00 22.02 1THB2113 ATOM 1960 CD1 LEU B 110 -5.686 8.104 -2.193 1.00 17.74 1THB2114 ATOM 1961 CD2 LEU B 110 -6.965 7.910 -0.090 1.00 19.11 1THB2115 ATOM 1962 N VAL B 111 -2.392 9.476 0.825 1.00 15.89 1THB2116 ATOM 1963 CA VAL B 111 -2.013 10.858 1.091 1.00 19.93 1THB2117 ATOM 1964 C VAL B 111 -0.865 11.242 0.171 1.00 18.95 1THB2118 ATOM 1965 O VAL B 111 -0.907 12.377 -0.338 1.00 18.21 1THB2119 ATOM 1966 CB VAL B 111 -1.688 10.958 2.612 1.00 20.69 1THB2120 ATOM 1967 CG1 VAL B 111 -1.197 12.392 2.892 1.00 17.61 1THB2121 ATOM 1968 CG2 VAL B 111 -3.017 10.808 3.309 1.00 18.82 1THB2122 ATOM 1969 N CYS B 112 0.129 10.358 0.001 1.00 16.16 1THB2123 ATOM 1970 CA CYS B 112 1.242 10.759 -0.901 1.00 13.09 1THB2124 ATOM 1971 C CYS B 112 0.731 10.982 -2.374 1.00 24.81 1THB2125 ATOM 1972 O CYS B 112 1.271 11.855 -3.148 1.00 19.54 1THB2126 ATOM 1973 CB CYS B 112 2.321 9.660 -1.029 1.00 17.33 1THB2127 ATOM 1974 SG CYS B 112 3.194 9.587 0.593 1.00 22.48 1THB2128 ATOM 1975 N VAL B 113 -0.217 10.105 -2.734 1.00 15.91 1THB2129 ATOM 1976 CA VAL B 113 -0.769 10.209 -4.102 1.00 19.30 1THB2130 ATOM 1977 C VAL B 113 -1.480 11.549 -4.274 1.00 17.70 1THB2131 ATOM 1978 O VAL B 113 -1.355 12.297 -5.308 1.00 18.25 1THB2132 ATOM 1979 CB VAL B 113 -1.601 8.967 -4.458 1.00 19.35 1THB2133 ATOM 1980 CG1 VAL B 113 -2.471 9.222 -5.724 1.00 21.18 1THB2134 ATOM 1981 CG2 VAL B 113 -0.798 7.715 -4.625 1.00 16.48 1THB2135 ATOM 1982 N LEU B 114 -2.319 12.011 -3.348 1.00 18.12 1THB2136 ATOM 1983 CA LEU B 114 -3.083 13.289 -3.443 1.00 14.29 1THB2137 ATOM 1984 C LEU B 114 -2.061 14.394 -3.526 1.00 21.57 1THB2138 ATOM 1985 O LEU B 114 -2.176 15.363 -4.297 1.00 23.14 1THB2139 ATOM 1986 CB LEU B 114 -4.014 13.496 -2.215 1.00 16.17 1THB2140 ATOM 1987 CG LEU B 114 -5.087 12.413 -2.123 1.00 20.08 1THB2141 ATOM 1988 CD1 LEU B 114 -5.942 12.525 -0.903 1.00 22.75 1THB2142 ATOM 1989 CD2 LEU B 114 -5.935 12.546 -3.431 1.00 28.79 1THB2143 ATOM 1990 N ALA B 115 -0.993 14.249 -2.690 1.00 19.92 1THB2144 ATOM 1991 CA ALA B 115 0.053 15.292 -2.698 1.00 26.35 1THB2145 ATOM 1992 C ALA B 115 0.684 15.325 -4.116 1.00 22.37 1THB2146 ATOM 1993 O ALA B 115 0.889 16.435 -4.676 1.00 22.76 1THB2147 ATOM 1994 CB ALA B 115 1.128 15.110 -1.603 1.00 20.11 1THB2148 ATOM 1995 N HIS B 116 1.004 14.158 -4.642 1.00 19.46 1THB2149 ATOM 1996 CA HIS B 116 1.676 14.043 -5.959 1.00 19.89 1THB2150 ATOM 1997 C HIS B 116 0.838 14.749 -7.059 1.00 24.11 1THB2151 ATOM 1998 O HIS B 116 1.358 15.489 -7.907 1.00 26.28 1THB2152 ATOM 1999 CB HIS B 116 1.869 12.562 -6.250 1.00 20.02 1THB2153 ATOM 2000 CG HIS B 116 2.609 12.391 -7.525 1.00 34.55 1THB2154 ATOM 2001 ND1 HIS B 116 3.805 13.076 -7.736 1.00 35.86 1THB2155 ATOM 2002 CD2 HIS B 116 2.278 11.643 -8.585 1.00 31.80 1THB2156 ATOM 2003 CE1 HIS B 116 4.218 12.700 -8.926 1.00 31.05 1THB2157 ATOM 2004 NE2 HIS B 116 3.348 11.851 -9.439 1.00 36.31 1THB2158 ATOM 2005 N HIS B 117 -0.459 14.470 -6.958 1.00 19.07 1THB2159 ATOM 2006 CA HIS B 117 -1.425 15.038 -7.885 1.00 23.08 1THB2160 ATOM 2007 C HIS B 117 -1.737 16.520 -7.640 1.00 30.52 1THB2161 ATOM 2008 O HIS B 117 -1.754 17.222 -8.685 1.00 28.37 1THB2162 ATOM 2009 CB HIS B 117 -2.816 14.404 -7.871 1.00 24.19 1THB2163 ATOM 2010 CG HIS B 117 -2.872 13.124 -8.625 1.00 74.30 1THB2164 ATOM 2011 ND1 HIS B 117 -1.968 12.063 -8.429 1.00 77.27 1THB2165 ATOM 2012 CD2 HIS B 117 -3.760 12.761 -9.601 1.00 77.27 1THB2166 ATOM 2013 CE1 HIS B 117 -2.275 11.057 -9.255 1.00 75.77 1THB2167 ATOM 2014 NE2 HIS B 117 -3.343 11.469 -9.950 1.00 77.27 1THB2168 ATOM 2015 N PHE B 118 -2.019 16.937 -6.410 1.00 19.76 1THB2169 ATOM 2016 CA PHE B 118 -2.440 18.301 -6.237 1.00 17.36 1THB2170 ATOM 2017 C PHE B 118 -1.324 19.283 -6.008 1.00 26.62 1THB2171 ATOM 2018 O PHE B 118 -1.553 20.490 -5.966 1.00 27.88 1THB2172 ATOM 2019 CB PHE B 118 -3.432 18.273 -5.062 1.00 23.23 1THB2173 ATOM 2020 CG PHE B 118 -4.662 17.600 -5.598 1.00 24.48 1THB2174 ATOM 2021 CD1 PHE B 118 -5.036 16.304 -5.249 1.00 46.77 1THB2175 ATOM 2022 CD2 PHE B 118 -5.515 18.298 -6.483 1.00 30.95 1THB2176 ATOM 2023 CE1 PHE B 118 -6.192 15.680 -5.745 1.00 50.42 1THB2177 ATOM 2024 CE2 PHE B 118 -6.705 17.690 -6.957 1.00 30.86 1THB2178 ATOM 2025 CZ PHE B 118 -7.059 16.365 -6.610 1.00 42.46 1THB2179 ATOM 2026 N GLY B 119 -0.155 18.695 -5.762 1.00 22.33 1THB2180 ATOM 2027 CA GLY B 119 0.976 19.623 -5.480 1.00 21.40 1THB2181 ATOM 2028 C GLY B 119 0.653 20.545 -4.315 1.00 26.84 1THB2182 ATOM 2029 O GLY B 119 0.203 20.318 -3.176 1.00 25.26 1THB2183 ATOM 2030 N LYS B 120 0.967 21.800 -4.690 1.00 26.87 1THB2184 ATOM 2031 CA LYS B 120 0.846 22.928 -3.752 1.00 24.45 1THB2185 ATOM 2032 C LYS B 120 -0.498 23.034 -3.040 1.00 27.31 1THB2186 ATOM 2033 O LYS B 120 -0.630 23.499 -1.895 1.00 29.90 1THB2187 ATOM 2034 CB LYS B 120 1.164 24.230 -4.496 1.00 25.92 1THB2188 ATOM 2035 CG LYS B 120 1.671 25.340 -3.590 1.00 36.23 1THB2189 ATOM 2036 CD LYS B 120 0.452 26.277 -3.440 1.00 71.58 1THB2190 ATOM 2037 CE LYS B 120 0.891 27.719 -3.242 1.00 77.27 1THB2191 ATOM 2038 NZ LYS B 120 0.226 28.722 -4.150 1.00 77.27 1THB2192 ATOM 2039 N GLU B 121 -1.475 22.585 -3.809 1.00 27.06 1THB2193 ATOM 2040 CA GLU B 121 -2.869 22.567 -3.388 1.00 22.53 1THB2194 ATOM 2041 C GLU B 121 -3.095 21.614 -2.206 1.00 33.77 1THB2195 ATOM 2042 O GLU B 121 -4.107 21.781 -1.488 1.00 25.56 1THB2196 ATOM 2043 CB GLU B 121 -3.824 22.084 -4.508 1.00 26.68 1THB2197 ATOM 2044 CG GLU B 121 -5.066 22.959 -4.577 1.00 58.65 1THB2198 ATOM 2045 CD GLU B 121 -6.083 22.486 -5.586 1.00 58.97 1THB2199 ATOM 2046 OE1 GLU B 121 -7.241 22.320 -5.229 1.00 52.85 1THB2200 ATOM 2047 OE2 GLU B 121 -5.537 22.303 -6.691 1.00 41.26 1THB2201 ATOM 2048 N PHE B 122 -2.160 20.669 -2.080 1.00 25.03 1THB2202 ATOM 2049 CA PHE B 122 -2.327 19.711 -0.916 1.00 22.97 1THB2203 ATOM 2050 C PHE B 122 -1.523 20.348 0.227 1.00 21.42 1THB2204 ATOM 2051 O PHE B 122 -0.375 19.946 0.534 1.00 25.98 1THB2205 ATOM 2052 CB PHE B 122 -1.959 18.353 -1.467 1.00 22.34 1THB2206 ATOM 2053 CG PHE B 122 -2.321 17.314 -0.461 1.00 21.35 1THB2207 ATOM 2054 CD1 PHE B 122 -3.643 16.959 -0.302 1.00 18.23 1THB2208 ATOM 2055 CD2 PHE B 122 -1.354 16.660 0.338 1.00 27.64 1THB2209 ATOM 2056 CE1 PHE B 122 -4.029 15.910 0.549 1.00 19.67 1THB2210 ATOM 2057 CE2 PHE B 122 -1.733 15.632 1.226 1.00 21.01 1THB2211 ATOM 2058 CZ PHE B 122 -3.075 15.269 1.354 1.00 22.50 1THB2212 ATOM 2059 N THR B 123 -2.071 21.385 0.850 1.00 18.92 1THB2213 ATOM 2060 CA THR B 123 -1.427 22.102 1.929 1.00 24.24 1THB2214 ATOM 2061 C THR B 123 -1.377 21.294 3.209 1.00 18.19 1THB2215 ATOM 2062 O THR B 123 -2.134 20.341 3.321 1.00 22.56 1THB2216 ATOM 2063 CB THR B 123 -2.255 23.422 2.224 1.00 26.75 1THB2217 ATOM 2064 OG1 THR B 123 -3.572 23.036 2.692 1.00 25.21 1THB2218 ATOM 2065 CG2 THR B 123 -2.322 24.270 0.922 1.00 30.38 1THB2219 ATOM 2066 N PRO B 124 -0.495 21.784 4.082 1.00 21.98 1THB2220 ATOM 2067 CA PRO B 124 -0.344 21.113 5.389 1.00 18.56 1THB2221 ATOM 2068 C PRO B 124 -1.650 20.875 6.134 1.00 19.25 1THB2222 ATOM 2069 O PRO B 124 -1.997 19.757 6.622 1.00 22.16 1THB2223 ATOM 2070 CB PRO B 124 0.672 21.994 6.093 1.00 24.58 1THB2224 ATOM 2071 CG PRO B 124 1.596 22.382 4.914 1.00 20.78 1THB2225 ATOM 2072 CD PRO B 124 0.503 22.864 3.926 1.00 19.74 1THB2226 ATOM 2073 N PRO B 125 -2.543 21.901 6.312 1.00 21.28 1THB2227 ATOM 2074 CA PRO B 125 -3.862 21.718 6.932 1.00 18.53 1THB2228 ATOM 2075 C PRO B 125 -4.734 20.825 6.028 1.00 22.64 1THB2229 ATOM 2076 O PRO B 125 -5.467 20.034 6.687 1.00 24.01 1THB2230 ATOM 2077 CB PRO B 125 -4.450 23.133 6.990 1.00 23.69 1THB2231 ATOM 2078 CG PRO B 125 -3.379 24.083 6.554 1.00 25.51 1THB2232 ATOM 2079 CD PRO B 125 -2.287 23.285 5.848 1.00 26.51 1THB2233 ATOM 2080 N VAL B 126 -4.616 20.805 4.650 1.00 22.53 1THB2234 ATOM 2081 CA VAL B 126 -5.449 19.861 3.878 1.00 19.90 1THB2235 ATOM 2082 C VAL B 126 -4.937 18.455 4.159 1.00 19.64 1THB2236 ATOM 2083 O VAL B 126 -5.780 17.555 4.399 1.00 21.44 1THB2237 ATOM 2084 CB VAL B 126 -5.464 20.239 2.384 1.00 25.12 1THB2238 ATOM 2085 CG1 VAL B 126 -5.929 19.116 1.478 1.00 24.44 1THB2239 ATOM 2086 CG2 VAL B 126 -6.232 21.559 2.386 1.00 24.93 1THB2240 ATOM 2087 N GLN B 127 -3.563 18.342 4.220 1.00 17.72 1THB2241 ATOM 2088 CA GLN B 127 -3.071 17.013 4.571 1.00 15.90 1THB2242 ATOM 2089 C GLN B 127 -3.572 16.598 5.979 1.00 17.55 1THB2243 ATOM 2090 O GLN B 127 -4.026 15.414 6.153 1.00 19.08 1THB2244 ATOM 2091 CB GLN B 127 -1.507 17.063 4.476 1.00 16.31 1THB2245 ATOM 2092 CG GLN B 127 -1.038 15.676 4.973 1.00 16.75 1THB2246 ATOM 2093 CD GLN B 127 0.459 15.686 5.272 1.00 19.18 1THB2247 ATOM 2094 OE1 GLN B 127 1.069 16.741 4.962 1.00 22.61 1THB2248 ATOM 2095 NE2 GLN B 127 0.987 14.591 5.853 1.00 19.91 1THB2249 ATOM 2096 N ALA B 128 -3.475 17.437 7.007 1.00 19.98 1THB2250 ATOM 2097 CA ALA B 128 -3.933 17.082 8.393 1.00 17.98 1THB2251 ATOM 2098 C ALA B 128 -5.389 16.561 8.379 1.00 20.27 1THB2252 ATOM 2099 O ALA B 128 -5.798 15.544 8.992 1.00 20.40 1THB2253 ATOM 2100 CB ALA B 128 -3.690 18.285 9.290 1.00 17.08 1THB2254 ATOM 2101 N ALA B 129 -6.315 17.176 7.640 1.00 21.03 1THB2255 ATOM 2102 CA ALA B 129 -7.688 16.726 7.519 1.00 18.90 1THB2256 ATOM 2103 C ALA B 129 -7.731 15.340 6.843 1.00 20.76 1THB2257 ATOM 2104 O ALA B 129 -8.444 14.383 7.306 1.00 22.56 1THB2258 ATOM 2105 CB ALA B 129 -8.584 17.665 6.708 1.00 21.80 1THB2259 ATOM 2106 N TYR B 130 -7.027 15.142 5.688 1.00 20.17 1THB2260 ATOM 2107 CA TYR B 130 -7.002 13.800 5.036 1.00 17.06 1THB2261 ATOM 2108 C TYR B 130 -6.373 12.759 6.008 1.00 21.18 1THB2262 ATOM 2109 O TYR B 130 -6.794 11.594 6.020 1.00 19.40 1THB2263 ATOM 2110 CB TYR B 130 -6.227 13.849 3.680 1.00 16.49 1THB2264 ATOM 2111 CG TYR B 130 -7.233 14.189 2.549 1.00 21.56 1THB2265 ATOM 2112 CD1 TYR B 130 -7.961 13.146 1.973 1.00 23.27 1THB2266 ATOM 2113 CD2 TYR B 130 -7.471 15.522 2.084 1.00 24.52 1THB2267 ATOM 2114 CE1 TYR B 130 -8.949 13.398 1.020 1.00 23.15 1THB2268 ATOM 2115 CE2 TYR B 130 -8.428 15.811 1.070 1.00 22.49 1THB2269 ATOM 2116 CZ TYR B 130 -9.170 14.723 0.566 1.00 23.73 1THB2270 ATOM 2117 OH TYR B 130 -10.175 14.868 -0.427 1.00 28.34 1THB2271 ATOM 2118 N GLN B 131 -5.325 13.178 6.802 1.00 18.72 1THB2272 ATOM 2119 CA GLN B 131 -4.712 12.212 7.759 1.00 18.98 1THB2273 ATOM 2120 C GLN B 131 -5.839 11.668 8.677 1.00 18.54 1THB2274 ATOM 2121 O GLN B 131 -5.956 10.466 8.972 1.00 20.91 1THB2275 ATOM 2122 CB GLN B 131 -3.567 12.783 8.585 1.00 16.46 1THB2276 ATOM 2123 CG GLN B 131 -2.347 13.057 7.734 1.00 18.86 1THB2277 ATOM 2124 CD GLN B 131 -1.670 11.791 7.205 1.00 21.28 1THB2278 ATOM 2125 OE1 GLN B 131 -0.852 12.140 6.292 1.00 21.89 1THB2279 ATOM 2126 NE2 GLN B 131 -1.778 10.520 7.505 1.00 18.85 1THB2280 ATOM 2127 N LYS B 132 -6.692 12.576 9.164 1.00 19.49 1THB2281 ATOM 2128 CA LYS B 132 -7.803 12.096 10.056 1.00 20.88 1THB2282 ATOM 2129 C LYS B 132 -8.793 11.218 9.283 1.00 20.66 1THB2283 ATOM 2130 O LYS B 132 -9.221 10.211 9.782 1.00 20.39 1THB2284 ATOM 2131 CB LYS B 132 -8.656 13.296 10.456 1.00 20.24 1THB2285 ATOM 2132 CG LYS B 132 -7.816 14.124 11.408 1.00 30.49 1THB2286 ATOM 2133 CD LYS B 132 -8.739 14.627 12.493 1.00 51.85 1THB2287 ATOM 2134 CE LYS B 132 -8.514 16.107 12.733 1.00 69.37 1THB2288 ATOM 2135 NZ LYS B 132 -9.816 16.721 13.234 1.00 77.27 1THB2289 ATOM 2136 N VAL B 133 -9.095 11.656 8.025 1.00 21.04 1THB2290 ATOM 2137 CA VAL B 133 -9.998 10.826 7.272 1.00 17.17 1THB2291 ATOM 2138 C VAL B 133 -9.442 9.449 7.055 1.00 19.61 1THB2292 ATOM 2139 O VAL B 133 -10.152 8.440 7.252 1.00 20.21 1THB2293 ATOM 2140 CB VAL B 133 -10.286 11.494 5.890 1.00 22.99 1THB2294 ATOM 2141 CG1 VAL B 133 -11.043 10.486 5.011 1.00 23.23 1THB2295 ATOM 2142 CG2 VAL B 133 -10.958 12.799 6.129 1.00 25.78 1THB2296 ATOM 2143 N VAL B 134 -8.170 9.344 6.554 1.00 16.01 1THB2297 ATOM 2144 CA VAL B 134 -7.768 7.945 6.289 1.00 14.30 1THB2298 ATOM 2145 C VAL B 134 -7.622 7.075 7.526 1.00 18.46 1THB2299 ATOM 2146 O VAL B 134 -7.769 5.800 7.411 1.00 19.92 1THB2300 ATOM 2147 CB VAL B 134 -6.427 7.893 5.512 1.00 24.17 1THB2301 ATOM 2148 CG1 VAL B 134 -6.704 8.505 4.122 1.00 19.90 1THB2302 ATOM 2149 CG2 VAL B 134 -5.292 8.546 6.312 1.00 23.50 1THB2303 ATOM 2150 N ALA B 135 -7.313 7.787 8.611 1.00 20.48 1THB2304 ATOM 2151 CA ALA B 135 -7.212 7.066 9.944 1.00 23.79 1THB2305 ATOM 2152 C ALA B 135 -8.666 6.661 10.300 1.00 16.35 1THB2306 ATOM 2153 O ALA B 135 -8.819 5.488 10.713 1.00 22.34 1THB2307 ATOM 2154 CB ALA B 135 -6.649 8.011 10.984 1.00 21.00 1THB2308 ATOM 2155 N GLY B 136 -9.624 7.508 10.067 1.00 18.28 1THB2309 ATOM 2156 CA GLY B 136 -11.002 7.223 10.420 1.00 16.71 1THB2310 ATOM 2157 C GLY B 136 -11.399 6.018 9.541 1.00 20.76 1THB2311 ATOM 2158 O GLY B 136 -12.027 4.979 9.967 1.00 21.62 1THB2312 ATOM 2159 N VAL B 137 -11.052 6.086 8.212 1.00 15.37 1THB2313 ATOM 2160 CA VAL B 137 -11.497 4.919 7.349 1.00 16.30 1THB2314 ATOM 2161 C VAL B 137 -10.829 3.612 7.759 1.00 18.75 1THB2315 ATOM 2162 O VAL B 137 -11.437 2.487 7.797 1.00 19.86 1THB2316 ATOM 2163 CB VAL B 137 -11.287 5.321 5.860 1.00 23.56 1THB2317 ATOM 2164 CG1 VAL B 137 -11.380 4.116 4.923 1.00 21.81 1THB2318 ATOM 2165 CG2 VAL B 137 -12.116 6.490 5.412 1.00 18.39 1THB2319 ATOM 2166 N ALA B 138 -9.459 3.660 8.044 1.00 18.18 1THB2320 ATOM 2167 CA ALA B 138 -8.816 2.398 8.498 1.00 20.33 1THB2321 ATOM 2168 C ALA B 138 -9.464 1.805 9.793 1.00 14.57 1THB2322 ATOM 2169 O ALA B 138 -9.592 0.585 9.888 1.00 18.27 1THB2323 ATOM 2170 CB ALA B 138 -7.311 2.687 8.729 1.00 15.78 1THB2324 ATOM 2171 N ASN B 139 -9.798 2.726 10.710 1.00 15.71 1THB2325 ATOM 2172 CA ASN B 139 -10.461 2.330 11.971 1.00 19.01 1THB2326 ATOM 2173 C ASN B 139 -11.848 1.739 11.718 1.00 16.89 1THB2327 ATOM 2174 O ASN B 139 -12.043 0.712 12.342 1.00 17.27 1THB2328 ATOM 2175 CB ASN B 139 -10.700 3.528 12.896 1.00 16.33 1THB2329 ATOM 2176 CG ASN B 139 -9.316 3.970 13.404 1.00 39.05 1THB2330 ATOM 2177 OD1 ASN B 139 -8.294 3.247 13.385 1.00 45.95 1THB2331 ATOM 2178 ND2 ASN B 139 -9.400 5.237 13.822 1.00 70.62 1THB2332 ATOM 2179 N ALA B 140 -12.601 2.385 10.824 1.00 19.36 1THB2333 ATOM 2180 CA ALA B 140 -13.929 1.802 10.477 1.00 19.62 1THB2334 ATOM 2181 C ALA B 140 -13.810 0.426 9.869 1.00 16.45 1THB2335 ATOM 2182 O ALA B 140 -14.558 -0.503 10.090 1.00 17.24 1THB2336 ATOM 2183 CB ALA B 140 -14.587 2.820 9.491 1.00 16.26 1THB2337 ATOM 2184 N LEU B 141 -12.746 0.277 8.961 1.00 16.17 1THB2338 ATOM 2185 CA LEU B 141 -12.548 -1.023 8.325 1.00 14.10 1THB2339 ATOM 2186 C LEU B 141 -12.070 -2.155 9.220 1.00 13.86 1THB2340 ATOM 2187 O LEU B 141 -12.217 -3.367 9.023 1.00 19.08 1THB2341 ATOM 2188 CB LEU B 141 -11.573 -0.811 7.080 1.00 19.68 1THB2342 ATOM 2189 CG LEU B 141 -12.256 -0.298 5.783 1.00 25.51 1THB2343 ATOM 2190 CD1 LEU B 141 -11.195 0.008 4.725 1.00 26.17 1THB2344 ATOM 2191 CD2 LEU B 141 -13.157 -1.420 5.248 1.00 22.84 1THB2345 ATOM 2192 N ALA B 142 -11.336 -1.633 10.291 1.00 18.26 1THB2346 ATOM 2193 CA ALA B 142 -10.760 -2.610 11.249 1.00 16.54 1THB2347 ATOM 2194 C ALA B 142 -11.783 -2.930 12.322 1.00 23.28 1THB2348 ATOM 2195 O ALA B 142 -11.568 -3.836 13.108 1.00 19.06 1THB2349 ATOM 2196 CB ALA B 142 -9.573 -1.881 11.892 1.00 16.85 1THB2350 ATOM 2197 N HIS B 143 -12.891 -2.182 12.447 1.00 19.79 1THB2351 ATOM 2198 CA HIS B 143 -13.907 -2.193 13.485 1.00 20.29 1THB2352 ATOM 2199 C HIS B 143 -14.525 -3.558 13.781 1.00 40.75 1THB2353 ATOM 2200 O HIS B 143 -14.694 -3.931 14.963 1.00 26.44 1THB2354 ATOM 2201 CB HIS B 143 -15.112 -1.177 13.226 1.00 27.71 1THB2355 ATOM 2202 CG HIS B 143 -15.845 -0.943 14.510 1.00 69.49 1THB2356 ATOM 2203 ND1 HIS B 143 -17.174 -1.203 14.721 1.00 53.23 1THB2357 ATOM 2204 CD2 HIS B 143 -15.361 -0.454 15.707 1.00 77.27 1THB2358 ATOM 2205 CE1 HIS B 143 -17.463 -0.849 16.000 1.00 77.27 1THB2359 ATOM 2206 NE2 HIS B 143 -16.388 -0.370 16.631 1.00 45.11 1THB2360 ATOM 2207 N LYS B 144 -14.934 -4.343 12.792 1.00 19.10 1THB2361 ATOM 2208 CA LYS B 144 -15.499 -5.667 12.934 1.00 17.78 1THB2362 ATOM 2209 C LYS B 144 -14.523 -6.822 12.948 1.00 25.48 1THB2363 ATOM 2210 O LYS B 144 -14.931 -7.986 12.776 1.00 26.61 1THB2364 ATOM 2211 CB LYS B 144 -16.458 -5.920 11.695 1.00 24.23 1THB2365 ATOM 2212 CG LYS B 144 -17.316 -4.673 11.630 1.00 24.89 1THB2366 ATOM 2213 CD LYS B 144 -18.444 -4.734 12.683 1.00 32.67 1THB2367 ATOM 2214 CE LYS B 144 -19.210 -3.408 12.674 1.00 64.19 1THB2368 ATOM 2215 NZ LYS B 144 -18.396 -2.113 12.645 1.00 33.63 1THB2369 ATOM 2216 N TYR B 145 -13.212 -6.529 13.128 1.00 18.90 1THB2370 ATOM 2217 CA TYR B 145 -12.297 -7.694 13.127 1.00 21.42 1THB2371 ATOM 2218 C TYR B 145 -12.454 -8.339 14.505 1.00 39.24 1THB2372 ATOM 2219 O TYR B 145 -12.740 -7.607 15.477 1.00 27.32 1THB2373 ATOM 2220 CB TYR B 145 -10.844 -7.238 13.007 1.00 18.78 1THB2374 ATOM 2221 CG TYR B 145 -10.481 -7.137 11.507 1.00 18.90 1THB2375 ATOM 2222 CD1 TYR B 145 -9.451 -8.033 11.093 1.00 16.39 1THB2376 ATOM 2223 CD2 TYR B 145 -11.178 -6.133 10.727 1.00 18.05 1THB2377 ATOM 2224 CE1 TYR B 145 -9.172 -7.958 9.675 1.00 14.75 1THB2378 ATOM 2225 CE2 TYR B 145 -10.839 -6.048 9.359 1.00 20.19 1THB2379 ATOM 2226 CZ TYR B 145 -9.861 -6.974 8.944 1.00 18.13 1THB2380 ATOM 2227 OH TYR B 145 -9.447 -6.847 7.604 1.00 17.86 1THB2381 ATOM 2228 N HIS B 146 -12.224 -9.587 14.638 1.00 26.89 1THB2382 ATOM 2229 CA HIS B 146 -12.441 -10.286 15.948 1.00 27.19 1THB2383 ATOM 2230 C HIS B 146 -11.556 -11.512 15.887 1.00 29.36 1THB2384 ATOM 2231 O HIS B 146 -10.982 -11.693 14.748 1.00 28.36 1THB2385 ATOM 2232 CB HIS B 146 -14.006 -10.589 15.992 1.00 28.36 1THB2386 ATOM 2233 CG HIS B 146 -14.387 -11.512 14.819 1.00 30.02 1THB2387 ATOM 2234 ND1 HIS B 146 -14.340 -12.892 14.880 1.00 47.33 1THB2388 ATOM 2235 CD2 HIS B 146 -14.727 -11.196 13.532 1.00 37.88 1THB2389 ATOM 2236 CE1 HIS B 146 -14.663 -13.362 13.684 1.00 43.85 1THB2390 ATOM 2237 NE2 HIS B 146 -14.896 -12.354 12.865 1.00 34.76 1THB2391 ATOM 2238 OXT HIS B 146 -11.491 -12.194 16.937 1.00 30.80 1THB2392 TER 2239 HIS B 146 1THB2393 HETATM 2240 FE HEM B 1 -10.163 -4.266 0.043 1.00 16.56 1THB2394 HETATM 2241 CHA HEM B 1 -11.842 -6.474 -1.991 1.00 16.63 1THB2395 HETATM 2242 CHB HEM B 1 -12.670 -1.918 -0.463 1.00 16.87 1THB2396 HETATM 2243 CHC HEM B 1 -8.268 -1.792 1.309 1.00 13.37 1THB2397 HETATM 2244 CHD HEM B 1 -7.406 -6.401 0.015 1.00 13.30 1THB2398 HETATM 2245 N A HEM B 1 -11.944 -4.194 -1.033 1.00 13.57 1THB2399 HETATM 2246 C1A HEM B 1 -12.426 -5.250 -1.760 1.00 18.84 1THB2400 HETATM 2247 C2A HEM B 1 -13.717 -4.766 -2.346 1.00 16.70 1THB2401 HETATM 2248 C3A HEM B 1 -13.939 -3.506 -1.959 1.00 17.84 1THB2402 HETATM 2249 C4A HEM B 1 -12.765 -3.094 -1.116 1.00 13.62 1THB2403 HETATM 2250 CMA HEM B 1 -15.160 -2.640 -2.266 1.00 17.83 1THB2404 HETATM 2251 CAA HEM B 1 -14.528 -5.754 -3.186 1.00 15.35 1THB2405 HETATM 2252 CBA HEM B 1 -15.396 -6.510 -2.212 1.00 15.13 1THB2406 HETATM 2253 CGA HEM B 1 -16.092 -7.732 -2.720 1.00 28.72 1THB2407 HETATM 2254 O1A HEM B 1 -15.438 -8.444 -3.509 1.00 27.14 1THB2408 HETATM 2255 O2A HEM B 1 -17.217 -8.106 -2.404 1.00 24.06 1THB2409 HETATM 2256 N B HEM B 1 -10.408 -2.331 0.361 1.00 14.26 1THB2410 HETATM 2257 C1B HEM B 1 -11.535 -1.519 0.243 1.00 14.76 1THB2411 HETATM 2258 C2B HEM B 1 -11.469 -0.257 0.868 1.00 19.00 1THB2412 HETATM 2259 C3B HEM B 1 -10.192 -0.152 1.347 1.00 19.02 1THB2413 HETATM 2260 C4B HEM B 1 -9.590 -1.391 0.982 1.00 12.28 1THB2414 HETATM 2261 CMB HEM B 1 -12.604 0.797 0.969 1.00 14.90 1THB2415 HETATM 2262 CAB HEM B 1 -9.506 0.976 2.174 1.00 14.38 1THB2416 HETATM 2263 CBB HEM B 1 -9.600 2.263 2.020 1.00 33.31 1THB2417 HETATM 2264 N C HEM B 1 -8.164 -4.149 0.588 1.00 13.19 1THB2418 HETATM 2265 C1C HEM B 1 -7.597 -2.976 1.081 1.00 13.68 1THB2419 HETATM 2266 C2C HEM B 1 -6.124 -3.241 1.294 1.00 13.53 1THB2420 HETATM 2267 C3C HEM B 1 -5.947 -4.535 0.901 1.00 13.11 1THB2421 HETATM 2268 C4C HEM B 1 -7.245 -5.132 0.446 1.00 11.97 1THB2422 HETATM 2269 CMC HEM B 1 -5.171 -2.157 1.811 1.00 14.07 1THB2423 HETATM 2270 CAC HEM B 1 -4.674 -5.401 0.970 1.00 17.18 1THB2424 HETATM 2271 CBC HEM B 1 -3.507 -4.752 0.735 1.00 19.74 1THB2425 HETATM 2272 N D HEM B 1 -9.712 -5.987 -0.790 1.00 14.86 1THB2426 HETATM 2273 C1D HEM B 1 -8.544 -6.742 -0.687 1.00 16.25 1THB2427 HETATM 2274 C2D HEM B 1 -8.619 -7.984 -1.370 1.00 17.44 1THB2428 HETATM 2275 C3D HEM B 1 -9.849 -8.005 -1.963 1.00 18.58 1THB2429 HETATM 2276 C4D HEM B 1 -10.524 -6.801 -1.586 1.00 16.59 1THB2430 HETATM 2277 CMD HEM B 1 -7.565 -9.089 -1.378 1.00 21.01 1THB2431 HETATM 2278 CAD HEM B 1 -10.485 -9.137 -2.829 1.00 17.69 1THB2432 HETATM 2279 CBD HEM B 1 -9.950 -9.006 -4.287 1.00 28.78 1THB2433 HETATM 2280 CGD HEM B 1 -10.370 -10.222 -5.109 1.00 38.20 1THB2434 HETATM 2281 O1D HEM B 1 -9.728 -11.296 -5.194 1.00 53.11 1THB2435 HETATM 2282 O2D HEM B 1 -11.453 -10.071 -5.703 1.00 42.52 1THB2436 END 1THB5290