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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 | data_design.cif
#
_entry.id design.cif
_entry.author unknown_user
_entry.date 2026-10-20
_entry.time 10:25:28
#
loop_
_chem_comp.id
_chem_comp.name
_chem_comp.type
_chem_comp.formula
_chem_comp.mon_nstd_parent_comp_id
_chem_comp.pdbx_synonyms
_chem_comp.formula_weight
ALA ALA 'PEPTIDE LINKING' ? ? ? ?
ARG ARG 'L-PEPTIDE LINKING' ? ? ? ?
ASN ASN 'L-PEPTIDE LINKING' ? ? ? ?
ASP ASP 'L-PEPTIDE LINKING' ? ? ? ?
GLN GLN 'L-PEPTIDE LINKING' ? ? ? ?
GLU GLU 'L-PEPTIDE LINKING' ? ? ? ?
GLY GLY 'PEPTIDE LINKING' ? ? ? ?
HIS HIS 'L-PEPTIDE LINKING' ? ? ? ?
ILE ILE 'L-PEPTIDE LINKING' ? ? ? ?
LEU LEU 'L-PEPTIDE LINKING' ? ? ? ?
LYS LYS 'L-PEPTIDE LINKING' ? ? ? ?
MET MET 'L-PEPTIDE LINKING' ? ? ? ?
PHE PHE 'L-PEPTIDE LINKING' ? ? ? ?
SER SER 'L-PEPTIDE LINKING' ? ? ? ?
THR THR 'L-PEPTIDE LINKING' ? ? ? ?
TYR TYR 'L-PEPTIDE LINKING' ? ? ? ?
VAL VAL 'L-PEPTIDE LINKING' ? ? ? ?
#
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
_chem_comp_bond.pdbx_aromatic_flag
ALA N CA SING N
ALA N H SING N
ALA N H2 SING N
ALA CA C SING N
ALA CA CB SING N
ALA CA HA SING N
ALA C O DOUB N
ALA C OXT SING N
ALA CB HB1 SING N
ALA CB HB2 SING N
ALA CB HB3 SING N
ALA OXT HXT SING N
ARG N CA SING N
ARG N H SING N
ARG N H2 SING N
ARG CA C SING N
ARG CA CB SING N
ARG CA HA SING N
ARG C O DOUB N
ARG C OXT SING N
ARG CB CG SING N
ARG CB HB2 SING N
ARG CB HB3 SING N
ARG CG CD SING N
ARG CG HG2 SING N
ARG CG HG3 SING N
ARG CD NE SING N
ARG CD HD2 SING N
ARG CD HD3 SING N
ARG NE CZ SING N
ARG NE HE SING N
ARG CZ NH1 SING N
ARG CZ NH2 DOUB N
ARG NH1 HH11 SING N
ARG NH1 HH12 SING N
ARG NH2 HH21 SING N
ARG NH2 HH22 SING N
ARG OXT HXT SING N
ASN N CA SING N
ASN N H SING N
ASN N H2 SING N
ASN CA C SING N
ASN CA CB SING N
ASN CA HA SING N
ASN C O DOUB N
ASN C OXT SING N
ASN CB CG SING N
ASN CB HB2 SING N
ASN CB HB3 SING N
ASN CG OD1 DOUB N
ASN CG ND2 SING N
ASN ND2 HD21 SING N
ASN ND2 HD22 SING N
ASN OXT HXT SING N
ASP N CA SING N
ASP N H SING N
ASP N H2 SING N
ASP CA C SING N
ASP CA CB SING N
ASP CA HA SING N
ASP C O DOUB N
ASP C OXT SING N
ASP CB CG SING N
ASP CB HB2 SING N
ASP CB HB3 SING N
ASP CG OD1 DOUB N
ASP CG OD2 SING N
ASP OD2 HD2 SING N
ASP OXT HXT SING N
GLN N CA SING N
GLN N H SING N
GLN N H2 SING N
GLN CA C SING N
GLN CA CB SING N
GLN CA HA SING N
GLN C O DOUB N
GLN C OXT SING N
GLN CB CG SING N
GLN CB HB2 SING N
GLN CB HB3 SING N
GLN CG CD SING N
GLN CG HG2 SING N
GLN CG HG3 SING N
GLN CD OE1 DOUB N
GLN CD NE2 SING N
GLN NE2 HE21 SING N
GLN NE2 HE22 SING N
GLN OXT HXT SING N
GLU N CA SING N
GLU N H SING N
GLU N H2 SING N
GLU CA C SING N
GLU CA CB SING N
GLU CA HA SING N
GLU C O DOUB N
GLU C OXT SING N
GLU CB CG SING N
GLU CB HB2 SING N
GLU CB HB3 SING N
GLU CG CD SING N
GLU CG HG2 SING N
GLU CG HG3 SING N
GLU CD OE1 DOUB N
GLU CD OE2 SING N
GLU OE2 HE2 SING N
GLU OXT HXT SING N
GLY N CA SING N
GLY N H SING N
GLY N H2 SING N
GLY CA C SING N
GLY CA HA2 SING N
GLY CA HA3 SING N
GLY C O DOUB N
GLY C OXT SING N
GLY OXT HXT SING N
HIS N CA SING N
HIS N H SING N
HIS N H2 SING N
HIS CA C SING N
HIS CA CB SING N
HIS CA HA SING N
HIS C O DOUB N
HIS C OXT SING N
HIS CB CG SING N
HIS CB HB2 SING N
HIS CB HB3 SING N
HIS CG ND1 SING Y
HIS CG CD2 DOUB Y
HIS ND1 CE1 DOUB Y
HIS ND1 HD1 SING N
HIS CD2 NE2 SING Y
HIS CD2 HD2 SING N
HIS CE1 NE2 SING Y
HIS CE1 HE1 SING N
HIS NE2 HE2 SING N
HIS OXT HXT SING N
ILE N CA SING N
ILE N H SING N
ILE N H2 SING N
ILE CA C SING N
ILE CA CB SING N
ILE CA HA SING N
ILE C O DOUB N
ILE C OXT SING N
ILE CB CG1 SING N
ILE CB CG2 SING N
ILE CB HB SING N
ILE CG1 CD1 SING N
ILE CG1 HG12 SING N
ILE CG1 HG13 SING N
ILE CG2 HG21 SING N
ILE CG2 HG22 SING N
ILE CG2 HG23 SING N
ILE CD1 HD11 SING N
ILE CD1 HD12 SING N
ILE CD1 HD13 SING N
ILE OXT HXT SING N
LEU N CA SING N
LEU N H SING N
LEU N H2 SING N
LEU CA C SING N
LEU CA CB SING N
LEU CA HA SING N
LEU C O DOUB N
LEU C OXT SING N
LEU CB CG SING N
LEU CB HB2 SING N
LEU CB HB3 SING N
LEU CG CD1 SING N
LEU CG CD2 SING N
LEU CG HG SING N
LEU CD1 HD11 SING N
LEU CD1 HD12 SING N
LEU CD1 HD13 SING N
LEU CD2 HD21 SING N
LEU CD2 HD22 SING N
LEU CD2 HD23 SING N
LEU OXT HXT SING N
LYS N CA SING N
LYS N H SING N
LYS N H2 SING N
LYS CA C SING N
LYS CA CB SING N
LYS CA HA SING N
LYS C O DOUB N
LYS C OXT SING N
LYS CB CG SING N
LYS CB HB2 SING N
LYS CB HB3 SING N
LYS CG CD SING N
LYS CG HG2 SING N
LYS CG HG3 SING N
LYS CD CE SING N
LYS CD HD2 SING N
LYS CD HD3 SING N
LYS CE NZ SING N
LYS CE HE2 SING N
LYS CE HE3 SING N
LYS NZ HZ1 SING N
LYS NZ HZ2 SING N
LYS NZ HZ3 SING N
LYS OXT HXT SING N
MET N CA SING N
MET N H SING N
MET N H2 SING N
MET CA C SING N
MET CA CB SING N
MET CA HA SING N
MET C O DOUB N
MET C OXT SING N
MET CB CG SING N
MET CB HB2 SING N
MET CB HB3 SING N
MET CG SD SING N
MET CG HG2 SING N
MET CG HG3 SING N
MET SD CE SING N
MET CE HE1 SING N
MET CE HE2 SING N
MET CE HE3 SING N
MET OXT HXT SING N
PHE N CA SING N
PHE N H SING N
PHE N H2 SING N
PHE CA C SING N
PHE CA CB SING N
PHE CA HA SING N
PHE C O DOUB N
PHE C OXT SING N
PHE CB CG SING N
PHE CB HB2 SING N
PHE CB HB3 SING N
PHE CG CD1 DOUB Y
PHE CG CD2 SING Y
PHE CD1 CE1 SING Y
PHE CD1 HD1 SING N
PHE CD2 CE2 DOUB Y
PHE CD2 HD2 SING N
PHE CE1 CZ DOUB Y
PHE CE1 HE1 SING N
PHE CE2 CZ SING Y
PHE CE2 HE2 SING N
PHE CZ HZ SING N
PHE OXT HXT SING N
SER N CA SING N
SER N H SING N
SER N H2 SING N
SER CA C SING N
SER CA CB SING N
SER CA HA SING N
SER C O DOUB N
SER C OXT SING N
SER CB OG SING N
SER CB HB2 SING N
SER CB HB3 SING N
SER OG HG SING N
SER OXT HXT SING N
THR N CA SING N
THR N H SING N
THR N H2 SING N
THR CA C SING N
THR CA CB SING N
THR CA HA SING N
THR C O DOUB N
THR C OXT SING N
THR CB OG1 SING N
THR CB CG2 SING N
THR CB HB SING N
THR OG1 HG1 SING N
THR CG2 HG21 SING N
THR CG2 HG22 SING N
THR CG2 HG23 SING N
THR OXT HXT SING N
TYR N CA SING N
TYR N H SING N
TYR N H2 SING N
TYR CA C SING N
TYR CA CB SING N
TYR CA HA SING N
TYR C O DOUB N
TYR C OXT SING N
TYR CB CG SING N
TYR CB HB2 SING N
TYR CB HB3 SING N
TYR CG CD1 DOUB Y
TYR CG CD2 SING Y
TYR CD1 CE1 SING Y
TYR CD1 HD1 SING N
TYR CD2 CE2 DOUB Y
TYR CD2 HD2 SING N
TYR CE1 CZ DOUB Y
TYR CE1 HE1 SING N
TYR CE2 CZ SING Y
TYR CE2 HE2 SING N
TYR CZ OH SING N
TYR OH HH SING N
TYR OXT HXT SING N
VAL N CA SING N
VAL N H SING N
VAL N H2 SING N
VAL CA C SING N
VAL CA CB SING N
VAL CA HA SING N
VAL C O DOUB N
VAL C OXT SING N
VAL CB CG1 SING N
VAL CB CG2 SING N
VAL CB HB SING N
VAL CG1 HG11 SING N
VAL CG1 HG12 SING N
VAL CG1 HG13 SING N
VAL CG2 HG21 SING N
VAL CG2 HG22 SING N
VAL CG2 HG23 SING N
VAL OXT HXT SING N
#
loop_
_atom_site.group_PDB
_atom_site.type_symbol
_atom_site.label_atom_id
_atom_site.label_alt_id
_atom_site.label_comp_id
_atom_site.label_asym_id
_atom_site.label_entity_id
_atom_site.label_seq_id
_atom_site.pdbx_PDB_ins_code
_atom_site.auth_seq_id
_atom_site.auth_comp_id
_atom_site.auth_asym_id
_atom_site.auth_atom_id
_atom_site.B_iso_or_equiv
_atom_site.occupancy
_atom_site.pdbx_formal_charge
_atom_site.annotation_expsegmin_1_residue
_atom_site.annotation_expsegmax_1_residue
_atom_site.atomize
_atom_site.condition_sequence_1_residue
_atom_site.condition_CoordinateGroup_1_atom
_atom_site.condition_na-ss-state_1_residue
_atom_site.annotation_src-coordinate-conditioned-region_1_atom
_atom_site.annotation_src-component_1_atom
_atom_site.annotation_src-index-group_1_atom
_atom_site.is_unindexed_insertion
_atom_site.atom_array_index
_atom_site.Cartn_x
_atom_site.Cartn_y
_atom_site.Cartn_z
_atom_site.pdbx_PDB_model_num
_atom_site.id
ATOM N N . MET A 0 1 . 1 MET A N 55.12 1.0 ? -1 -1 False <M> -1 0 . A1 -1 False 0 -1.578 12.072 5.367 1 1
ATOM C CA . MET A 0 1 . 1 MET A CA 61.21 1.0 ? -1 -1 False <M> -1 0 . A1 -1 False 1 -2.271 10.764 5.51 1 2
ATOM C C . MET A 0 1 . 1 MET A C 13.32 1.0 ? -1 -1 False <M> -1 0 . A1 -1 False 2 -1.251 9.636 5.592 1 3
ATOM O O . MET A 0 1 . 1 MET A O 44.44 1.0 ? -1 -1 False <M> -1 0 . A1 -1 False 3 -0.084 9.831 5.296 1 4
ATOM C CB . MET A 0 1 . 1 MET A CB 75.25 1.0 ? -1 -1 False <M> -1 0 . A1 -1 False 4 -3.214 10.489 4.338 1 5
ATOM C CG . MET A 0 1 . 1 MET A CG 54.41 1.0 ? -1 -1 False <M> -1 0 . A1 -1 False 5 -4.429 11.413 4.25 1 6
ATOM S SD . MET A 0 1 . 1 MET A SD 71.24 1.0 ? -1 -1 False <M> -1 0 . A1 -1 False 6 -5.65 10.824 3.069 1 7
ATOM C CE . MET A 0 1 . 1 MET A CE 72.4 1.0 ? -1 -1 False <M> -1 0 . A1 -1 False 7 -4.654 10.621 1.584 1 8
ATOM N N . GLN A 0 2 . 2 GLN A N 63.43 1.0 ? -1 -1 False <M> -1 0 . A2 -1 False 8 -1.79 8.469 5.92 1 9
ATOM C CA . GLN A 0 2 . 2 GLN A CA 72.25 1.0 ? -1 -1 False <M> -1 0 . A2 -1 False 9 -1.004 7.228 5.882 1 10
ATOM C C . GLN A 0 2 . 2 GLN A C 43.4 1.0 ? -1 -1 False <M> -1 0 . A2 -1 False 10 -1.756 6.174 5.086 1 11
ATOM O O . GLN A 0 2 . 2 GLN A O 61.13 1.0 ? -1 -1 False <M> -1 0 . A2 -1 False 11 -2.977 6.198 5.008 1 12
ATOM C CB . GLN A 0 2 . 2 GLN A CB 71.34 1.0 ? -1 -1 False <M> -1 0 . A2 -1 False 12 -0.739 6.699 7.288 1 13
ATOM C CG . GLN A 0 2 . 2 GLN A CG 32.34 1.0 ? -1 -1 False <M> -1 0 . A2 -1 False 13 0.216 7.548 8.099 1 14
ATOM C CD . GLN A 0 2 . 2 GLN A CD 32.14 1.0 ? -1 -1 False <M> -1 0 . A2 -1 False 14 0.49 6.937 9.456 1 15
ATOM O OE1 . GLN A 0 2 . 2 GLN A OE1 11.24 1.0 ? -1 -1 False <M> -1 0 . A2 -1 False 15 -0.208 6.042 9.925 1 16
ATOM N NE2 . GLN A 0 2 . 2 GLN A NE2 nan 1.0 ? -1 -1 False <M> -1 0 . A2 -1 False 16 1.535 7.415 10.12 1 17
ATOM N N . MET A 0 3 . 3 MET A N 70.22 1.0 ? -1 -1 False <M> -1 0 . A3 -1 False 17 -0.99 5.221 4.533 1 18
ATOM C CA . MET A 0 3 . 3 MET A CA 61.42 1.0 ? -1 -1 False <M> -1 0 . A3 -1 False 18 -1.593 4.098 3.81 1 19
ATOM C C . MET A 0 3 . 3 MET A C 12.22 1.0 ? -1 -1 False <M> -1 0 . A3 -1 False 19 -0.919 2.809 4.245 1 20
ATOM O O . MET A 0 3 . 3 MET A O 52.35 1.0 ? -1 -1 False <M> -1 0 . A3 -1 False 20 0.312 2.76 4.369 1 21
ATOM C CB . MET A 0 3 . 3 MET A CB 21.25 1.0 ? -1 -1 False <M> -1 0 . A3 -1 False 21 -1.442 4.276 2.306 1 22
ATOM C CG . MET A 0 3 . 3 MET A CG 64.24 1.0 ? -1 -1 False <M> -1 0 . A3 -1 False 22 -2.13 3.165 1.496 1 23
ATOM S SD . MET A 0 3 . 3 MET A SD 11.54 1.0 ? -1 -1 False <M> -1 0 . A3 -1 False 23 -2.069 3.49 -0.233 1 24
ATOM C CE . MET A 0 3 . 3 MET A CE 23.03 1.0 ? -1 -1 False <M> -1 0 . A3 -1 False 24 -3.057 2.145 -0.858 1 25
ATOM N N . ILE A 0 4 . 4 ILE A N 64.41 1.0 ? -1 -1 False <M> -1 0 . A4 -1 False 25 -1.732 1.802 4.492 1 26
ATOM C CA . ILE A 0 4 . 4 ILE A CA 71.44 1.0 ? -1 -1 False <M> -1 0 . A4 -1 False 26 -1.241 0.474 4.851 1 27
ATOM C C . ILE A 0 4 . 4 ILE A C 41.05 1.0 ? -1 -1 False <M> -1 0 . A4 -1 False 27 -1.605 -0.488 3.723 1 28
ATOM O O . ILE A 0 4 . 4 ILE A O 3.31 1.0 ? -1 -1 False <M> -1 0 . A4 -1 False 28 -2.775 -0.576 3.347 1 29
ATOM C CB . ILE A 0 4 . 4 ILE A CB 4.51 1.0 ? -1 -1 False <M> -1 0 . A4 -1 False 29 -1.822 -0.005 6.189 1 30
ATOM C CG1 . ILE A 0 4 . 4 ILE A CG1 nan 1.0 ? -1 -1 False <M> -1 0 . A4 -1 False 30 -1.449 0.972 7.312 1 31
ATOM C CG2 . ILE A 0 4 . 4 ILE A CG2 nan 1.0 ? -1 -1 False <M> -1 0 . A4 -1 False 31 -1.335 -1.421 6.511 1 32
ATOM C CD1 . ILE A 0 4 . 4 ILE A CD1 nan 1.0 ? -1 -1 False <M> -1 0 . A4 -1 False 32 -2.125 0.672 8.64 1 33
ATOM N N . ILE A 0 5 . 5 ILE A N 23.43 1.0 ? -1 -1 False <M> -1 0 . A5 -1 False 33 -0.633 -1.218 3.244 1 34
ATOM C CA . ILE A 0 5 . 5 ILE A CA 2.14 1.0 ? -1 -1 False <M> -1 0 . A5 -1 False 34 -0.817 -2.214 2.199 1 35
ATOM C C . ILE A 0 5 . 5 ILE A C 34.22 1.0 ? -1 -1 False <M> -1 0 . A5 -1 False 35 -0.368 -3.562 2.758 1 36
ATOM O O . ILE A 0 5 . 5 ILE A O 12.12 1.0 ? -1 -1 False <M> -1 0 . A5 -1 False 36 0.735 -3.669 3.322 1 37
ATOM C CB . ILE A 0 5 . 5 ILE A CB 35.23 1.0 ? -1 -1 False <M> -1 0 . A5 -1 False 37 -0.026 -1.853 0.93 1 38
ATOM C CG1 . ILE A 0 5 . 5 ILE A CG1 35.34 1.0 ? -1 -1 False <M> -1 0 . A5 -1 False 38 -0.434 -0.466 0.403 1 39
ATOM C CG2 . ILE A 0 5 . 5 ILE A CG2 71.23 1.0 ? -1 -1 False <M> -1 0 . A5 -1 False 39 -0.244 -2.917 -0.174 1 40
ATOM C CD1 . ILE A 0 5 . 5 ILE A CD1 22.53 1.0 ? -1 -1 False <M> -1 0 . A5 -1 False 40 0.369 0.012 -0.769 1 41
ATOM N N . ARG A 0 6 . 6 ARG A N 12.41 1.0 ? -1 -1 False <M> -1 0 . A6 -1 False 41 -1.205 -4.563 2.632 1 42
ATOM C CA . ARG A 0 6 . 6 ARG A CA 41.44 1.0 ? -1 -1 False <M> -1 0 . A6 -1 False 42 -0.923 -5.921 3.135 1 43
ATOM C C . ARG A 0 6 . 6 ARG A C 61.13 1.0 ? -1 -1 False <M> -1 0 . A6 -1 False 43 -1.05 -6.941 1.997 1 44
ATOM O O . ARG A 0 6 . 6 ARG A O 42.4 1.0 ? -1 -1 False <M> -1 0 . A6 -1 False 44 -2.032 -6.927 1.269 1 45
ATOM C CB . ARG A 0 6 . 6 ARG A CB 11.45 1.0 ? -1 -1 False <M> -1 0 . A6 -1 False 45 -1.875 -6.277 4.287 1 46
ATOM C CG . ARG A 0 6 . 6 ARG A CG 54.14 1.0 ? -1 -1 False <M> -1 0 . A6 -1 False 46 -1.67 -5.423 5.488 1 47
ATOM C CD . ARG A 0 6 . 6 ARG A CD 12.1 1.0 ? -1 -1 False <M> -1 0 . A6 -1 False 47 -2.74 -5.613 6.553 1 48
ATOM N NE . ARG A 0 6 . 6 ARG A NE 33.33 1.0 ? -1 -1 False <M> -1 0 . A6 -1 False 48 -2.896 -7.0 7.002 1 49
ATOM C CZ . ARG A 0 6 . 6 ARG A CZ 64.52 1.0 ? -1 -1 False <M> -1 0 . A6 -1 False 49 -2.193 -7.552 7.978 1 50
ATOM N NH1 . ARG A 0 6 . 6 ARG A NH1 2.12 1.0 ? -1 -1 False <M> -1 0 . A6 -1 False 50 -1.285 -6.848 8.642 1 51
ATOM N NH2 . ARG A 0 6 . 6 ARG A NH2 22.35 1.0 +1 -1 -1 False <M> -1 0 . A6 -1 False 51 -2.398 -8.811 8.291 1 52
ATOM N N . PHE A 0 7 . 7 PHE A N 4.33 1.0 ? -1 -1 False <M> -1 0 . A7 -1 False 52 -0.016 -7.833 1.875 1 53
ATOM C CA . PHE A 0 7 . 7 PHE A CA 30.45 1.0 ? -1 -1 False <M> -1 0 . A7 -1 False 53 0.004 -8.932 0.899 1 54
ATOM C C . PHE A 0 7 . 7 PHE A C 42.31 1.0 ? -1 -1 False <M> -1 0 . A7 -1 False 54 0.12 -10.26 1.631 1 55
ATOM O O . PHE A 0 7 . 7 PHE A O 40.14 1.0 ? -1 -1 False <M> -1 0 . A7 -1 False 55 0.922 -10.387 2.569 1 56
ATOM C CB . PHE A 0 7 . 7 PHE A CB 53.54 1.0 ? -1 -1 False <M> -1 0 . A7 -1 False 56 1.181 -8.79 -0.063 1 57
ATOM C CG . PHE A 0 7 . 7 PHE A CG 3.42 1.0 ? -1 -1 False <M> -1 0 . A7 -1 False 57 1.112 -7.614 -0.996 1 58
ATOM C CD1 . PHE A 0 7 . 7 PHE A CD1 21.02 1.0 ? -1 -1 False <M> -1 0 . A7 -1 False 58 0.298 -7.633 -2.109 1 59
ATOM C CD2 . PHE A 0 7 . 7 PHE A CD2 52.44 1.0 ? -1 -1 False <M> -1 0 . A7 -1 False 59 1.849 -6.452 -0.722 1 60
ATOM C CE1 . PHE A 0 7 . 7 PHE A CE1 2.22 1.0 ? -1 -1 False <M> -1 0 . A7 -1 False 60 0.243 -6.549 -2.968 1 61
ATOM C CE2 . PHE A 0 7 . 7 PHE A CE2 65.35 1.0 ? -1 -1 False <M> -1 0 . A7 -1 False 61 1.791 -5.358 -1.591 1 62
ATOM C CZ . PHE A 0 7 . 7 PHE A CZ 2.42 1.0 ? -1 -1 False <M> -1 0 . A7 -1 False 62 0.98 -5.416 -2.695 1 63
ATOM N N . ASN A 0 28 . 28 ASN A N 14.34 1.0 ? -1 -1 False <M> -1 0 . A28 -1 False 63 9.446 7.928 -6.021 1 64
ATOM C CA . ASN A 0 28 . 28 ASN A CA 33.04 1.0 ? -1 -1 False <M> -1 0 . A28 -1 False 64 9.606 9.364 -6.314 1 65
ATOM C C . ASN A 0 28 . 28 ASN A C 61.42 1.0 ? -1 -1 False <M> -1 0 . A28 -1 False 65 8.654 10.248 -5.522 1 66
ATOM O O . ASN A 0 28 . 28 ASN A O 71.1 1.0 ? -1 -1 False <M> -1 0 . A28 -1 False 66 8.629 11.473 -5.715 1 67
ATOM C CB . ASN A 0 28 . 28 ASN A CB 21.44 1.0 ? -1 -1 False <M> -1 0 . A28 -1 False 67 9.428 9.614 -7.817 1 68
ATOM C CG . ASN A 0 28 . 28 ASN A CG 1.21 1.0 ? -1 -1 False <M> -1 0 . A28 -1 False 68 10.372 8.771 -8.647 1 69
ATOM O OD1 . ASN A 0 28 . 28 ASN A OD1 nan 1.0 ? -1 -1 False <M> -1 0 . A28 -1 False 69 9.957 7.948 -9.399 1 70
ATOM N ND2 . ASN A 0 28 . 28 ASN A ND2 nan 1.0 ? -1 -1 False <M> -1 0 . A28 -1 False 70 11.676 9.0 -8.442 1 71
ATOM N N . PHE A 0 29 . 29 PHE A N 15.12 1.0 ? -1 -1 False <M> -1 0 . A29 -1 False 71 7.858 9.654 -4.696 1 72
ATOM C CA . PHE A 0 29 . 29 PHE A CA 13.31 1.0 ? -1 -1 False <M> -1 0 . A29 -1 False 72 7.048 10.425 -3.763 1 73
ATOM C C . PHE A 0 29 . 29 PHE A C 20.31 1.0 ? -1 -1 False <M> -1 0 . A29 -1 False 73 7.936 11.014 -2.674 1 74
ATOM O O . PHE A 0 29 . 29 PHE A O 0.4 1.0 ? -1 -1 False <M> -1 0 . A29 -1 False 74 8.971 10.457 -2.347 1 75
ATOM C CB . PHE A 0 29 . 29 PHE A CB 14.1 1.0 ? -1 -1 False <M> -1 0 . A29 -1 False 75 5.993 9.542 -3.109 1 76
ATOM C CG . PHE A 0 29 . 29 PHE A CG 20.15 1.0 ? -1 -1 False <M> -1 0 . A29 -1 False 76 4.938 9.0 -4.032 1 77
ATOM C CD1 . PHE A 0 29 . 29 PHE A CD1 32.13 1.0 ? -1 -1 False <M> -1 0 . A29 -1 False 77 4.694 9.566 -5.267 1 78
ATOM C CD2 . PHE A 0 29 . 29 PHE A CD2 71.53 1.0 ? -1 -1 False <M> -1 0 . A29 -1 False 78 4.176 7.925 -3.642 1 79
ATOM C CE1 . PHE A 0 29 . 29 PHE A CE1 71.14 1.0 ? -1 -1 False <M> -1 0 . A29 -1 False 79 3.708 9.068 -6.107 1 80
ATOM C CE2 . PHE A 0 29 . 29 PHE A CE2 72.12 1.0 ? -1 -1 False <M> -1 0 . A29 -1 False 80 3.2 7.418 -4.471 1 81
ATOM C CZ . PHE A 0 29 . 29 PHE A CZ 23.22 1.0 ? -1 -1 False <M> -1 0 . A29 -1 False 81 2.966 7.984 -5.707 1 82
ATOM N N . SER A 0 30 . 30 SER A N 42.43 1.0 ? -1 -1 False <M> -1 0 . A30 -1 False 82 7.498 12.057 -2.075 1 83
ATOM C CA . SER A 0 30 . 30 SER A CA 61.3 1.0 ? -1 -1 False <M> -1 0 . A30 -1 False 83 8.172 12.624 -0.904 1 84
ATOM C C . SER A 0 30 . 30 SER A C 2.4 1.0 ? -1 -1 False <M> -1 0 . A30 -1 False 84 7.617 11.989 0.376 1 85
ATOM O O . SER A 0 30 . 30 SER A O 24.03 1.0 ? -1 -1 False <M> -1 0 . A30 -1 False 85 7.488 12.672 1.391 1 86
ATOM C CB . SER A 0 30 . 30 SER A CB 33.53 1.0 ? -1 -1 False <M> -1 0 . A30 -1 False 86 8.007 14.147 -0.873 1 87
ATOM O OG . SER A 0 30 . 30 SER A OG nan 1.0 ? -1 -1 False <M> -1 0 . A30 -1 False 87 6.658 14.489 -0.843 1 88
ATOM N N . ALA A 0 31 . 31 ALA A N 21.44 1.0 ? -1 -1 False <M> -1 0 . A31 -1 False 88 7.245 10.771 0.29 1 89
ATOM C CA . ALA A 0 31 . 31 ALA A CA 1.32 1.0 ? -1 -1 False <M> -1 0 . A31 -1 False 89 6.676 10.015 1.394 1 90
ATOM C C . ALA A 0 31 . 31 ALA A C 62.21 1.0 ? -1 -1 False <M> -1 0 . A31 -1 False 90 7.701 9.033 1.911 1 91
ATOM O O . ALA A 0 31 . 31 ALA A O 75.55 1.0 ? -1 -1 False <M> -1 0 . A31 -1 False 91 8.639 8.657 1.218 1 92
ATOM C CB . ALA A 0 31 . 31 ALA A CB nan 1.0 ? -1 -1 False <M> -1 0 . A31 -1 False 92 5.416 9.277 0.937 1 93
ATOM N N . SER A 0 32 . 32 SER A N 21.33 1.0 ? -1 -1 False <M> -1 0 . A32 -1 False 93 7.524 8.582 3.182 1 94
ATOM C CA . SER A 0 32 . 32 SER A CA 63.51 1.0 ? -1 -1 False <M> -1 0 . A32 -1 False 94 8.378 7.576 3.793 1 95
ATOM C C . SER A 0 32 . 32 SER A C 62.45 1.0 ? -1 -1 False <M> -1 0 . A32 -1 False 95 7.636 6.248 3.836 1 96
ATOM O O . SER A 0 32 . 32 SER A O 31.21 1.0 ? -1 -1 False <M> -1 0 . A32 -1 False 96 6.415 6.209 3.831 1 97
ATOM C CB . SER A 0 32 . 32 SER A CB 33.44 1.0 ? -1 -1 False <M> -1 0 . A32 -1 False 97 8.808 7.998 5.199 1 98
ATOM O OG . SER A 0 32 . 32 SER A OG nan 1.0 ? -1 -1 False <M> -1 0 . A32 -1 False 98 7.704 8.179 6.039 1 99
ATOM N N . ALA A 0 33 . 33 ALA A N 11.12 1.0 ? -1 -1 False <M> -1 0 . A33 -1 False 99 8.364 5.148 3.89 1 100
ATOM C CA . ALA A 0 33 . 33 ALA A CA 62.52 1.0 ? -1 -1 False <M> -1 0 . A33 -1 False 100 7.81 3.81 3.874 1 101
ATOM C C . ALA A 0 33 . 33 ALA A C 55.24 1.0 ? -1 -1 False <M> -1 0 . A33 -1 False 101 8.523 2.946 4.905 1 102
ATOM O O . ALA A 0 33 . 33 ALA A O 50.25 1.0 ? -1 -1 False <M> -1 0 . A33 -1 False 102 9.705 3.097 5.144 1 103
ATOM C CB . ALA A 0 33 . 33 ALA A CB 64.45 1.0 ? -1 -1 False <M> -1 0 . A33 -1 False 103 7.928 3.19 2.478 1 104
ATOM N N . ASP A 0 34 . 34 ASP A N 11.53 1.0 ? -1 -1 False <M> -1 0 . A34 -1 False 104 7.786 2.06 5.498 1 105
ATOM C CA . ASP A 0 34 . 34 ASP A CA 52.32 1.0 ? -1 -1 False <M> -1 0 . A34 -1 False 105 8.33 1.025 6.386 1 106
ATOM C C . ASP A 0 34 . 34 ASP A C 60.03 1.0 ? -1 -1 False <M> -1 0 . A34 -1 False 106 7.578 -0.283 6.129 1 107
ATOM O O . ASP A 0 34 . 34 ASP A O 31.21 1.0 ? -1 -1 False <M> -1 0 . A34 -1 False 107 6.484 -0.274 5.595 1 108
ATOM C CB . ASP A 0 34 . 34 ASP A CB 42.34 1.0 ? -1 -1 False <M> -1 0 . A34 -1 False 108 8.197 1.43 7.861 1 109
ATOM C CG . ASP A 0 34 . 34 ASP A CG nan 1.0 ? -1 -1 False <M> -1 0 . A34 -1 False 109 9.121 0.642 8.779 1 110
ATOM O OD1 . ASP A 0 34 . 34 ASP A OD1 nan 1.0 ? -1 -1 False <M> -1 0 . A34 -1 False 110 9.893 -0.2 8.251 1 111
ATOM O OD2 . ASP A 0 34 . 34 ASP A OD2 nan 1.0 ? -1 -1 False <M> -1 0 . A34 -1 False 111 9.048 0.862 10.0 1 112
ATOM N N . HIS A 0 35 . 35 HIS A N 64.41 1.0 ? -1 -1 False <M> -1 0 . A35 -1 False 112 8.22 -1.409 6.526 1 113
ATOM C CA . HIS A 0 35 . 35 HIS A CA 40.55 1.0 ? -1 -1 False <M> -1 0 . A35 -1 False 113 7.585 -2.708 6.254 1 114
ATOM C C . HIS A 0 35 . 35 HIS A C 2.3 1.0 ? -1 -1 False <M> -1 0 . A35 -1 False 114 7.862 -3.704 7.387 1 115
ATOM O O . HIS A 0 35 . 35 HIS A O 31.23 1.0 ? -1 -1 False <M> -1 0 . A35 -1 False 115 8.845 -3.562 8.119 1 116
ATOM C CB . HIS A 0 35 . 35 HIS A CB 55.12 1.0 ? -1 -1 False <M> -1 0 . A35 -1 False 116 8.034 -3.279 4.897 1 117
ATOM C CG . HIS A 0 35 . 35 HIS A CG 13.22 1.0 ? -1 -1 False <M> -1 0 . A35 -1 False 117 9.46 -3.675 4.828 1 118
ATOM N ND1 . HIS A 0 35 . 35 HIS A ND1 nan 1.0 +1 -1 -1 False <M> -1 0 . A35 -1 False 118 9.939 -4.876 5.302 1 119
ATOM C CD2 . HIS A 0 35 . 35 HIS A CD2 70.12 1.0 ? -1 -1 False <M> -1 0 . A35 -1 False 119 10.534 -3.011 4.35 1 120
ATOM C CE1 . HIS A 0 35 . 35 HIS A CE1 52.41 1.0 ? -1 -1 False <M> -1 0 . A35 -1 False 120 11.237 -4.935 5.092 1 121
ATOM N NE2 . HIS A 0 35 . 35 HIS A NE2 nan 1.0 ? -1 -1 False <M> -1 0 . A35 -1 False 121 11.628 -3.792 4.526 1 122
ATOM N N . SER A 0 36 . 36 SER A N 31.53 1.0 ? -1 -1 False <M> -1 0 . A36 -1 False 122 6.934 -4.681 7.498 1 123
ATOM C CA . SER A 0 36 . 36 SER A CA 1.25 1.0 ? -1 -1 False <M> -1 0 . A36 -1 False 123 7.079 -5.77 8.46 1 124
ATOM C C . SER A 0 36 . 36 SER A C 35.22 1.0 ? -1 -1 False <M> -1 0 . A36 -1 False 124 6.571 -7.068 7.842 1 125
ATOM O O . SER A 0 36 . 36 SER A O 70.03 1.0 ? -1 -1 False <M> -1 0 . A36 -1 False 125 5.741 -7.039 6.927 1 126
ATOM C CB . SER A 0 36 . 36 SER A CB 14.14 1.0 ? -1 -1 False <M> -1 0 . A36 -1 False 126 6.337 -5.469 9.759 1 127
ATOM O OG . SER A 0 36 . 36 SER A OG nan 1.0 ? -1 -1 False <M> -1 0 . A36 -1 False 127 4.94 -5.386 9.544 1 128
ATOM N N . LEU A 0 37 . 37 LEU A N 32.51 1.0 ? -1 -1 False <M> -1 0 . A37 -1 False 128 7.09 -8.204 8.386 1 129
ATOM C CA . LEU A 0 37 . 37 LEU A CA 54.12 1.0 ? -1 -1 False <M> -1 0 . A37 -1 False 129 6.663 -9.533 7.957 1 130
ATOM C C . LEU A 0 37 . 37 LEU A C 45.21 1.0 ? -1 -1 False <M> -1 0 . A37 -1 False 130 6.182 -10.299 9.177 1 131
ATOM O O . LEU A 0 37 . 37 LEU A O 72.31 1.0 ? -1 -1 False <M> -1 0 . A37 -1 False 131 6.92 -10.431 10.164 1 132
ATOM C CB . LEU A 0 37 . 37 LEU A CB 52.02 1.0 ? -1 -1 False <M> -1 0 . A37 -1 False 132 7.81 -10.28 7.283 1 133
ATOM C CG . LEU A 0 37 . 37 LEU A CG 22.11 1.0 ? -1 -1 False <M> -1 0 . A37 -1 False 133 7.473 -11.661 6.726 1 134
ATOM C CD1 . LEU A 0 37 . 37 LEU A CD1 44.41 1.0 ? -1 -1 False <M> -1 0 . A37 -1 False 134 6.448 -11.574 5.613 1 135
ATOM C CD2 . LEU A 0 37 . 37 LEU A CD2 2.15 1.0 ? -1 -1 False <M> -1 0 . A37 -1 False 135 8.753 -12.326 6.208 1 136
ATOM N N . ASP A 0 38 . 38 ASP A N 13.13 1.0 ? -1 -1 False <M> -1 0 . A38 -1 False 136 4.935 -10.813 9.137 1 137
ATOM C CA . ASP A 0 38 . 38 ASP A CA 5.11 1.0 ? -1 -1 False <M> -1 0 . A38 -1 False 137 4.332 -11.609 10.211 1 138
ATOM C C . ASP A 0 38 . 38 ASP A C 5.43 1.0 ? -1 -1 False <M> -1 0 . A38 -1 False 138 3.788 -12.898 9.61 1 139
ATOM O O . ASP A 0 38 . 38 ASP A O 54.31 1.0 ? -1 -1 False <M> -1 0 . A38 -1 False 139 2.731 -12.918 8.976 1 140
ATOM C CB . ASP A 0 38 . 38 ASP A CB 72.04 1.0 ? -1 -1 False <M> -1 0 . A38 -1 False 140 3.229 -10.828 10.924 1 141
ATOM C CG . ASP A 0 38 . 38 ASP A CG 13.01 1.0 ? -1 -1 False <M> -1 0 . A38 -1 False 141 2.633 -11.613 12.096 1 142
ATOM O OD1 . ASP A 0 38 . 38 ASP A OD1 32.41 1.0 ? -1 -1 False <M> -1 0 . A38 -1 False 142 3.312 -12.493 12.633 1 143
ATOM O OD2 . ASP A 0 38 . 38 ASP A OD2 11.33 1.0 ? -1 -1 False <M> -1 0 . A38 -1 False 143 1.481 -11.305 12.477 1 144
ATOM N N . GLY A 0 39 . 39 GLY A N 22.44 1.0 ? -1 -1 False <M> -1 0 . A39 -1 False 144 4.523 -13.926 9.865 1 145
ATOM C CA . GLY A 0 39 . 39 GLY A CA 63.33 1.0 ? -1 -1 False <M> -1 0 . A39 -1 False 145 4.223 -15.215 9.235 1 146
ATOM C C . GLY A 0 39 . 39 GLY A C 14.11 1.0 ? -1 -1 False <M> -1 0 . A39 -1 False 146 4.4 -15.129 7.721 1 147
ATOM O O . GLY A 0 39 . 39 GLY A O 43.35 1.0 ? -1 -1 False <M> -1 0 . A39 -1 False 147 5.512 -14.983 7.233 1 148
ATOM N N . ASP A 0 40 . 40 ASP A N 72.22 1.0 ? -1 -1 False <M> -1 0 . A40 -1 False 148 3.301 -15.207 7.027 1 149
ATOM C CA . ASP A 0 40 . 40 ASP A CA 24.32 1.0 ? -1 -1 False <M> -1 0 . A40 -1 False 149 3.32 -15.104 5.553 1 150
ATOM C C . ASP A 0 40 . 40 ASP A C 44.11 1.0 ? -1 -1 False <M> -1 0 . A40 -1 False 150 2.67 -13.815 5.072 1 151
ATOM O O . ASP A 0 40 . 40 ASP A O 33.53 1.0 ? -1 -1 False <M> -1 0 . A40 -1 False 151 2.275 -13.708 3.912 1 152
ATOM C CB . ASP A 0 40 . 40 ASP A CB 71.13 1.0 ? -1 -1 False <M> -1 0 . A40 -1 False 152 2.631 -16.315 4.937 1 153
ATOM C CG . ASP A 0 40 . 40 ASP A CG 30.3 1.0 ? -1 -1 False <M> -1 0 . A40 -1 False 153 3.093 -16.608 3.531 1 154
ATOM O OD1 . ASP A 0 40 . 40 ASP A OD1 22.21 1.0 ? -1 -1 False <M> -1 0 . A40 -1 False 154 4.228 -16.222 3.18 1 155
ATOM O OD2 . ASP A 0 40 . 40 ASP A OD2 nan 1.0 ? -1 -1 False <M> -1 0 . A40 -1 False 155 2.334 -17.253 2.76 1 156
ATOM N N . VAL A 0 41 . 41 VAL A N 23.02 1.0 ? -1 -1 False <M> -1 0 . A41 -1 False 156 2.554 -12.789 5.891 1 157
ATOM C CA . VAL A 0 41 . 41 VAL A CA 5.22 1.0 ? -1 -1 False <M> -1 0 . A41 -1 False 157 1.885 -11.53 5.568 1 158
ATOM C C . VAL A 0 41 . 41 VAL A C 5.12 1.0 ? -1 -1 False <M> -1 0 . A41 -1 False 158 2.91 -10.406 5.58 1 159
ATOM O O . VAL A 0 41 . 41 VAL A O 63.45 1.0 ? -1 -1 False <M> -1 0 . A41 -1 False 159 3.545 -10.133 6.613 1 160
ATOM C CB . VAL A 0 41 . 41 VAL A CB 13.3 1.0 ? -1 -1 False <M> -1 0 . A41 -1 False 160 0.737 -11.232 6.56 1 161
ATOM C CG1 . VAL A 0 41 . 41 VAL A CG1 nan 1.0 ? -1 -1 False <M> -1 0 . A41 -1 False 161 0.078 -9.899 6.213 1 162
ATOM C CG2 . VAL A 0 41 . 41 VAL A CG2 nan 1.0 ? -1 -1 False <M> -1 0 . A41 -1 False 162 -0.293 -12.364 6.521 1 163
ATOM N N . LEU A 0 42 . 42 LEU A N 30.15 1.0 ? -1 -1 False <M> -1 0 . A42 -1 False 163 3.048 -9.76 4.448 1 164
ATOM C CA . LEU A 0 42 . 42 LEU A CA 30.21 1.0 ? -1 -1 False <M> -1 0 . A42 -1 False 164 3.893 -8.579 4.323 1 165
ATOM C C . LEU A 0 42 . 42 LEU A C 72.01 1.0 ? -1 -1 False <M> -1 0 . A42 -1 False 165 3.024 -7.338 4.505 1 166
ATOM O O . LEU A 0 42 . 42 LEU A O 5.4 1.0 ? -1 -1 False <M> -1 0 . A42 -1 False 166 2.018 -7.182 3.803 1 167
ATOM C CB . LEU A 0 42 . 42 LEU A CB 42.4 1.0 ? -1 -1 False <M> -1 0 . A42 -1 False 167 4.571 -8.55 2.966 1 168
ATOM C CG . LEU A 0 42 . 42 LEU A CG 71.44 1.0 ? -1 -1 False <M> -1 0 . A42 -1 False 168 5.387 -7.289 2.634 1 169
ATOM C CD1 . LEU A 0 42 . 42 LEU A CD1 11.55 1.0 ? -1 -1 False <M> -1 0 . A42 -1 False 169 6.588 -7.163 3.581 1 170
ATOM C CD2 . LEU A 0 42 . 42 LEU A CD2 40.3 1.0 ? -1 -1 False <M> -1 0 . A42 -1 False 170 5.856 -7.329 1.198 1 171
ATOM N N . THR A 0 43 . 43 THR A N 63.14 1.0 ? -1 -1 False <M> -1 0 . A43 -1 False 171 3.403 -6.401 5.441 1 172
ATOM C CA . THR A 0 43 . 43 THR A CA 5.25 1.0 ? -1 -1 False <M> -1 0 . A43 -1 False 172 2.705 -5.141 5.694 1 173
ATOM C C . THR A 0 43 . 43 THR A C 14.12 1.0 ? -1 -1 False <M> -1 0 . A43 -1 False 173 3.628 -3.979 5.354 1 174
ATOM O O . THR A 0 43 . 43 THR A O 75.2 1.0 ? -1 -1 False <M> -1 0 . A43 -1 False 174 4.756 -3.92 5.84 1 175
ATOM C CB . THR A 0 43 . 43 THR A CB 64.21 1.0 ? -1 -1 False <M> -1 0 . A43 -1 False 175 2.243 -5.043 7.159 1 176
ATOM O OG1 . THR A 0 43 . 43 THR A OG1 nan 1.0 ? -1 -1 False <M> -1 0 . A43 -1 False 176 1.386 -6.137 7.442 1 177
ATOM C CG2 . THR A 0 43 . 43 THR A CG2 nan 1.0 ? -1 -1 False <M> -1 0 . A43 -1 False 177 1.509 -3.735 7.403 1 178
ATOM N N . ILE A 0 44 . 44 ILE A N 74.41 1.0 ? -1 -1 False <M> -1 0 . A44 -1 False 178 3.161 -3.074 4.541 1 179
ATOM C CA . ILE A 0 44 . 44 ILE A CA 64.25 1.0 ? -1 -1 False <M> -1 0 . A44 -1 False 179 3.893 -1.873 4.129 1 180
ATOM C C . ILE A 0 44 . 44 ILE A C 63.33 1.0 ? -1 -1 False <M> -1 0 . A44 -1 False 180 3.088 -0.667 4.573 1 181
ATOM O O . ILE A 0 44 . 44 ILE A O 41.54 1.0 ? -1 -1 False <M> -1 0 . A44 -1 False 181 1.911 -0.526 4.204 1 182
ATOM C CB . ILE A 0 44 . 44 ILE A CB 41.15 1.0 ? -1 -1 False <M> -1 0 . A44 -1 False 182 4.123 -1.843 2.615 1 183
ATOM C CG1 . ILE A 0 44 . 44 ILE A CG1 32.13 1.0 ? -1 -1 False <M> -1 0 . A44 -1 False 183 4.865 -3.109 2.156 1 184
ATOM C CG2 . ILE A 0 44 . 44 ILE A CG2 72.33 1.0 ? -1 -1 False <M> -1 0 . A44 -1 False 184 4.894 -0.594 2.195 1 185
ATOM C CD1 . ILE A 0 44 . 44 ILE A CD1 63.44 1.0 ? -1 -1 False <M> -1 0 . A44 -1 False 185 4.894 -3.289 0.652 1 186
ATOM N N . THR A 0 45 . 45 THR A N 41.23 1.0 ? -1 -1 False <M> -1 0 . A45 -1 False 186 3.697 0.217 5.378 1 187
ATOM C CA . THR A 0 45 . 45 THR A CA 55.03 1.0 ? -1 -1 False <M> -1 0 . A45 -1 False 187 3.077 1.448 5.856 1 188
ATOM C C . THR A 0 45 . 45 THR A C 44.2 1.0 ? -1 -1 False <M> -1 0 . A45 -1 False 188 3.765 2.634 5.197 1 189
ATOM O O . THR A 0 45 . 45 THR A O 62.02 1.0 ? -1 -1 False <M> -1 0 . A45 -1 False 189 4.991 2.757 5.268 1 190
ATOM C CB . THR A 0 45 . 45 THR A CB 41.1 1.0 ? -1 -1 False <M> -1 0 . A45 -1 False 190 3.162 1.56 7.38 1 191
ATOM O OG1 . THR A 0 45 . 45 THR A OG1 nan 1.0 ? -1 -1 False <M> -1 0 . A45 -1 False 191 2.508 0.427 7.965 1 192
ATOM C CG2 . THR A 0 45 . 45 THR A CG2 nan 1.0 ? -1 -1 False <M> -1 0 . A45 -1 False 192 2.501 2.815 7.858 1 193
ATOM N N . LEU A 0 46 . 46 LEU A N 73.34 1.0 ? -1 -1 False <M> -1 0 . A46 -1 False 193 2.971 3.511 4.543 1 194
ATOM C CA . LEU A 0 46 . 46 LEU A CA 5.32 1.0 ? -1 -1 False <M> -1 0 . A46 -1 False 194 3.474 4.727 3.903 1 195
ATOM C C . LEU A 0 46 . 46 LEU A C 34.13 1.0 ? -1 -1 False <M> -1 0 . A46 -1 False 195 2.932 5.938 4.641 1 196
ATOM O O . LEU A 0 46 . 46 LEU A O 13.2 1.0 ? -1 -1 False <M> -1 0 . A46 -1 False 196 1.716 6.006 4.894 1 197
ATOM C CB . LEU A 0 46 . 46 LEU A CB 11.13 1.0 ? -1 -1 False <M> -1 0 . A46 -1 False 197 3.086 4.782 2.429 1 198
ATOM C CG . LEU A 0 46 . 46 LEU A CG nan 1.0 ? -1 -1 False <M> -1 0 . A46 -1 False 198 3.668 3.672 1.54 1 199
ATOM C CD1 . LEU A 0 46 . 46 LEU A CD1 73.2 1.0 ? -1 -1 False <M> -1 0 . A46 -1 False 199 2.595 2.646 1.227 1 200
ATOM C CD2 . LEU A 0 46 . 46 LEU A CD2 nan 1.0 ? -1 -1 False <M> -1 0 . A46 -1 False 200 4.255 4.231 0.29 1 201
ATOM N N . THR A 0 47 . 47 THR A N 3.35 1.0 ? -1 -1 False <M> -1 0 . A47 -1 False 201 3.794 6.924 4.942 1 202
ATOM C CA . THR A 0 47 . 47 THR A CA 40.34 1.0 ? -1 -1 False <M> -1 0 . A47 -1 False 202 3.45 8.145 5.684 1 203
ATOM C C . THR A 0 47 . 47 THR A C 2.24 1.0 ? -1 -1 False <M> -1 0 . A47 -1 False 203 3.745 9.366 4.825 1 204
ATOM O O . THR A 0 47 . 47 THR A O 24.0 1.0 ? -1 -1 False <M> -1 0 . A47 -1 False 204 4.739 9.395 4.093 1 205
ATOM C CB . THR A 0 47 . 47 THR A CB 44.01 1.0 ? -1 -1 False <M> -1 0 . A47 -1 False 205 4.241 8.229 6.993 1 206
ATOM O OG1 . THR A 0 47 . 47 THR A OG1 43.14 1.0 ? -1 -1 False <M> -1 0 . A47 -1 False 206 3.936 7.086 7.794 1 207
ATOM C CG2 . THR A 0 47 . 47 THR A CG2 1.2 1.0 ? -1 -1 False <M> -1 0 . A47 -1 False 207 3.877 9.503 7.794 1 208
ATOM N N . GLY A 0 48 . 48 GLY A N 10.31 1.0 ? -1 -1 False <M> -1 0 . A48 -1 False 208 2.901 10.362 4.963 1 209
ATOM C CA . GLY A 0 48 . 48 GLY A CA 72.24 1.0 ? -1 -1 False <M> -1 0 . A48 -1 False 209 3.095 11.593 4.216 1 210
ATOM C C . GLY A 0 48 . 48 GLY A C 72.41 1.0 ? -1 -1 False <M> -1 0 . A48 -1 False 210 2.565 11.53 2.8 1 211
ATOM O O . GLY A 0 48 . 48 GLY A O 55.0 1.0 ? -1 -1 False <M> -1 0 . A48 -1 False 211 3.04 12.286 1.95 1 212
ATOM N N . ILE A 0 49 . 49 ILE A N 21.23 1.0 ? -1 -1 False <M> -1 0 . A49 -1 False 212 1.564 10.642 2.548 1 213
ATOM C CA . ILE A 0 49 . 49 ILE A CA 15.53 1.0 ? -1 -1 False <M> -1 0 . A49 -1 False 213 1.0 10.519 1.21 1 214
ATOM C C . ILE A 0 49 . 49 ILE A C 11.33 1.0 ? -1 -1 False <M> -1 0 . A49 -1 False 214 -0.128 11.529 1.004 1 215
ATOM O O . ILE A 0 49 . 49 ILE A O 60.23 1.0 ? -1 -1 False <M> -1 0 . A49 -1 False 215 -0.787 11.935 1.953 1 216
ATOM C CB . ILE A 0 49 . 49 ILE A CB 32.3 1.0 ? -1 -1 False <M> -1 0 . A49 -1 False 216 0.497 9.083 0.933 1 217
ATOM C CG1 . ILE A 0 49 . 49 ILE A CG1 74.54 1.0 ? -1 -1 False <M> -1 0 . A49 -1 False 217 -0.68 8.732 1.85 1 218
ATOM C CG2 . ILE A 0 49 . 49 ILE A CG2 13.52 1.0 ? -1 -1 False <M> -1 0 . A49 -1 False 218 1.635 8.087 1.068 1 219
ATOM C CD1 . ILE A 0 49 . 49 ILE A CD1 nan 1.0 ? -1 -1 False <M> -1 0 . A49 -1 False 219 -1.363 7.433 1.49 1 220
ATOM N N . THR A 0 50 . 50 THR A N 21.25 1.0 ? -1 -1 False <M> -1 0 . A50 -1 False 220 -0.371 11.902 -0.25 1 221
ATOM C CA . THR A 0 50 . 50 THR A CA 63.22 1.0 ? -1 -1 False <M> -1 0 . A50 -1 False 221 -1.533 12.703 -0.674 1 222
ATOM C C . THR A 0 50 . 50 THR A C 4.02 1.0 ? -1 -1 False <M> -1 0 . A50 -1 False 222 -2.636 11.761 -1.168 1 223
ATOM O O . THR A 0 50 . 50 THR A O 51.33 1.0 ? -1 -1 False <M> -1 0 . A50 -1 False 223 -2.412 10.545 -1.319 1 224
ATOM C CB . THR A 0 50 . 50 THR A CB 41.0 1.0 ? -1 -1 False <M> -1 0 . A50 -1 False 224 -1.15 13.665 -1.807 1 225
ATOM O OG1 . THR A 0 50 . 50 THR A OG1 nan 1.0 ? -1 -1 False <M> -1 0 . A50 -1 False 225 -0.766 12.885 -2.96 1 226
ATOM C CG2 . THR A 0 50 . 50 THR A CG2 nan 1.0 ? -1 -1 False <M> -1 0 . A50 -1 False 226 0.01 14.568 -1.402 1 227
ATOM N N . GLU A 0 51 . 51 GLU A N 3.43 1.0 ? -1 -1 False <M> -1 0 . A51 -1 False 227 -3.851 12.339 -1.495 1 228
ATOM C CA . GLU A 0 51 . 51 GLU A CA 40.15 1.0 ? -1 -1 False <M> -1 0 . A51 -1 False 228 -4.949 11.543 -2.054 1 229
ATOM C C . GLU A 0 51 . 51 GLU A C 53.45 1.0 ? -1 -1 False <M> -1 0 . A51 -1 False 229 -4.551 10.935 -3.392 1 230
ATOM O O . GLU A 0 51 . 51 GLU A O 44.05 1.0 ? -1 -1 False <M> -1 0 . A51 -1 False 230 -4.879 9.795 -3.685 1 231
ATOM C CB . GLU A 0 51 . 51 GLU A CB 35.23 1.0 ? -1 -1 False <M> -1 0 . A51 -1 False 231 -6.209 12.397 -2.195 1 232
ATOM C CG . GLU A 0 51 . 51 GLU A CG 64.23 1.0 ? -1 -1 False <M> -1 0 . A51 -1 False 232 -6.775 12.842 -0.853 1 233
ATOM C CD . GLU A 0 51 . 51 GLU A CD 31.3 1.0 ? -1 -1 False <M> -1 0 . A51 -1 False 233 -8.016 13.652 -0.975 1 234
ATOM O OE1 . GLU A 0 51 . 51 GLU A OE1 33.05 1.0 ? -1 -1 False <M> -1 0 . A51 -1 False 234 -8.738 13.516 -1.994 1 235
ATOM O OE2 . GLU A 0 51 . 51 GLU A OE2 13.41 1.0 ? -1 -1 False <M> -1 0 . A51 -1 False 235 -8.328 14.434 -0.043 1 236
ATOM N N . ASP A 0 52 . 52 ASP A N 71.23 1.0 ? -1 -1 False <M> -1 0 . A52 -1 False 236 -3.802 11.729 -4.213 1 237
ATOM C CA . ASP A 0 52 . 52 ASP A CA 72.51 1.0 ? -1 -1 False <M> -1 0 . A52 -1 False 237 -3.353 11.204 -5.512 1 238
ATOM C C . ASP A 0 52 . 52 ASP A C 35.43 1.0 ? -1 -1 False <M> -1 0 . A52 -1 False 238 -2.401 10.018 -5.324 1 239
ATOM O O . ASP A 0 52 . 52 ASP A O 74.42 1.0 ? -1 -1 False <M> -1 0 . A52 -1 False 239 -2.499 9.017 -6.059 1 240
ATOM C CB . ASP A 0 52 . 52 ASP A CB 64.43 1.0 ? -1 -1 False <M> -1 0 . A52 -1 False 240 -2.665 12.308 -6.328 1 241
ATOM C CG . ASP A 0 52 . 52 ASP A CG 5.31 1.0 ? -1 -1 False <M> -1 0 . A52 -1 False 241 -3.625 13.362 -6.84 1 242
ATOM O OD1 . ASP A 0 52 . 52 ASP A OD1 nan 1.0 ? -1 -1 False <M> -1 0 . A52 -1 False 242 -4.867 13.157 -6.743 1 243
ATOM O OD2 . ASP A 0 52 . 52 ASP A OD2 nan 1.0 ? -1 -1 False <M> -1 0 . A52 -1 False 243 -3.168 14.388 -7.348 1 244
ATOM N N . ASN A 0 53 . 53 ASN A N 51.43 1.0 ? -1 -1 False <M> -1 0 . A53 -1 False 244 -1.46 10.144 -4.406 1 245
ATOM C CA . ASN A 0 53 . 53 ASN A CA 2.42 1.0 ? -1 -1 False <M> -1 0 . A53 -1 False 245 -0.542 9.035 -4.103 1 246
ATOM C C . ASN A 0 53 . 53 ASN A C 53.14 1.0 ? -1 -1 False <M> -1 0 . A53 -1 False 246 -1.328 7.785 -3.7 1 247
ATOM O O . ASN A 0 53 . 53 ASN A O 63.54 1.0 ? -1 -1 False <M> -1 0 . A53 -1 False 247 -1.013 6.682 -4.162 1 248
ATOM C CB . ASN A 0 53 . 53 ASN A CB 55.32 1.0 ? -1 -1 False <M> -1 0 . A53 -1 False 248 0.415 9.407 -2.966 1 249
ATOM C CG . ASN A 0 53 . 53 ASN A CG nan 1.0 ? -1 -1 False <M> -1 0 . A53 -1 False 249 1.431 10.471 -3.342 1 250
ATOM O OD1 . ASN A 0 53 . 53 ASN A OD1 nan 1.0 ? -1 -1 False <M> -1 0 . A53 -1 False 250 1.479 10.891 -4.484 1 251
ATOM N ND2 . ASN A 0 53 . 53 ASN A ND2 nan 1.0 ? -1 -1 False <M> -1 0 . A53 -1 False 251 2.231 10.881 -2.365 1 252
ATOM N N . ALA A 0 54 . 54 ALA A N 11.33 1.0 ? -1 -1 False <M> -1 0 . A54 -1 False 252 -2.321 7.979 -2.829 1 253
ATOM C CA . ALA A 0 54 . 54 ALA A CA 45.33 1.0 ? -1 -1 False <M> -1 0 . A54 -1 False 253 -3.107 6.855 -2.339 1 254
ATOM C C . ALA A 0 54 . 54 ALA A C 51.31 1.0 ? -1 -1 False <M> -1 0 . A54 -1 False 254 -3.781 6.118 -3.486 1 255
ATOM O O . ALA A 0 54 . 54 ALA A O 71.43 1.0 ? -1 -1 False <M> -1 0 . A54 -1 False 255 -3.786 4.893 -3.52 1 256
ATOM C CB . ALA A 0 54 . 54 ALA A CB 42.32 1.0 ? -1 -1 False <M> -1 0 . A54 -1 False 256 -4.128 7.344 -1.323 1 257
ATOM N N . GLU A 0 55 . 55 GLU A N 31.44 1.0 ? -1 -1 False <M> -1 0 . A55 -1 False 257 -4.357 6.847 -4.434 1 258
ATOM C CA . GLU A 0 55 . 55 GLU A CA 60.35 1.0 ? -1 -1 False <M> -1 0 . A55 -1 False 258 -5.021 6.23 -5.601 1 259
ATOM C C . GLU A 0 55 . 55 GLU A C 71.42 1.0 ? -1 -1 False <M> -1 0 . A55 -1 False 259 -4.01 5.473 -6.471 1 260
ATOM O O . GLU A 0 55 . 55 GLU A O 41.42 1.0 ? -1 -1 False <M> -1 0 . A55 -1 False 260 -4.284 4.364 -6.93 1 261
ATOM C CB . GLU A 0 55 . 55 GLU A CB 43.34 1.0 ? -1 -1 False <M> -1 0 . A55 -1 False 261 -5.739 7.294 -6.436 1 262
ATOM C CG . GLU A 0 55 . 55 GLU A CG 30.13 1.0 ? -1 -1 False <M> -1 0 . A55 -1 False 262 -6.935 7.919 -5.748 1 263
ATOM C CD . GLU A 0 55 . 55 GLU A CD 40.14 1.0 ? -1 -1 False <M> -1 0 . A55 -1 False 263 -7.599 8.984 -6.578 1 264
ATOM O OE1 . GLU A 0 55 . 55 GLU A OE1 nan 1.0 ? -1 -1 False <M> -1 0 . A55 -1 False 264 -7.121 9.277 -7.691 1 265
ATOM O OE2 . GLU A 0 55 . 55 GLU A OE2 nan 1.0 ? -1 -1 False <M> -1 0 . A55 -1 False 265 -8.615 9.57 -6.119 1 266
ATOM N N . GLN A 0 56 . 56 GLN A N 42.21 1.0 ? -1 -1 False <M> -1 0 . A56 -1 False 266 -2.873 6.063 -6.684 1 267
ATOM C CA . GLN A 0 56 . 56 GLN A CA 42.03 1.0 ? -1 -1 False <M> -1 0 . A56 -1 False 267 -1.838 5.413 -7.499 1 268
ATOM C C . GLN A 0 56 . 56 GLN A C 23.13 1.0 ? -1 -1 False <M> -1 0 . A56 -1 False 268 -1.303 4.154 -6.811 1 269
ATOM O O . GLN A 0 56 . 56 GLN A O 2.13 1.0 ? -1 -1 False <M> -1 0 . A56 -1 False 269 -1.125 3.118 -7.47 1 270
ATOM C CB . GLN A 0 56 . 56 GLN A CB 52.33 1.0 ? -1 -1 False <M> -1 0 . A56 -1 False 270 -0.686 6.39 -7.771 1 271
ATOM C CG . GLN A 0 56 . 56 GLN A CG 31.24 1.0 ? -1 -1 False <M> -1 0 . A56 -1 False 271 -1.052 7.523 -8.7 1 272
ATOM C CD . GLN A 0 56 . 56 GLN A CD 75.33 1.0 ? -1 -1 False <M> -1 0 . A56 -1 False 272 0.105 8.48 -8.964 1 273
ATOM O OE1 . GLN A 0 56 . 56 GLN A OE1 60.04 1.0 ? -1 -1 False <M> -1 0 . A56 -1 False 273 1.248 8.05 -9.081 1 274
ATOM N NE2 . GLN A 0 56 . 56 GLN A NE2 nan 1.0 ? -1 -1 False <M> -1 0 . A56 -1 False 274 -0.188 9.749 -9.023 1 275
ATOM N N . LEU A 0 57 . 57 LEU A N 70.34 1.0 ? -1 -1 False <M> -1 0 . A57 -1 False 275 -1.067 4.264 -5.519 1 276
ATOM C CA . LEU A 0 57 . 57 LEU A CA 20.22 1.0 ? -1 -1 False <M> -1 0 . A57 -1 False 276 -0.557 3.107 -4.772 1 277
ATOM C C . LEU A 0 57 . 57 LEU A C 20.22 1.0 ? -1 -1 False <M> -1 0 . A57 -1 False 277 -1.592 1.984 -4.703 1 278
ATOM O O . LEU A 0 57 . 57 LEU A O 13.12 1.0 ? -1 -1 False <M> -1 0 . A57 -1 False 278 -1.231 0.792 -4.803 1 279
ATOM C CB . LEU A 0 57 . 57 LEU A CB 64.33 1.0 ? -1 -1 False <M> -1 0 . A57 -1 False 279 -0.129 3.536 -3.366 1 280
ATOM C CG . LEU A 0 57 . 57 LEU A CG 71.41 1.0 ? -1 -1 False <M> -1 0 . A57 -1 False 280 1.133 4.406 -3.307 1 281
ATOM C CD1 . LEU A 0 57 . 57 LEU A CD1 63.45 1.0 ? -1 -1 False <M> -1 0 . A57 -1 False 281 1.269 5.05 -1.921 1 282
ATOM C CD2 . LEU A 0 57 . 57 LEU A CD2 42.42 1.0 ? -1 -1 False <M> -1 0 . A57 -1 False 282 2.353 3.571 -3.625 1 283
ATOM N N . ASN A 0 58 . 58 ASN A N 45.14 1.0 ? -1 -1 False <M> -1 0 . A58 -1 False 283 -2.876 2.306 -4.554 1 284
ATOM C CA . ASN A 0 58 . 58 ASN A CA 52.34 1.0 ? -1 -1 False <M> -1 0 . A58 -1 False 284 -3.946 1.309 -4.518 1 285
ATOM C C . ASN A 0 58 . 58 ASN A C 73.44 1.0 ? -1 -1 False <M> -1 0 . A58 -1 False 285 -4.011 0.558 -5.846 1 286
ATOM O O . ASN A 0 58 . 58 ASN A O 32.03 1.0 ? -1 -1 False <M> -1 0 . A58 -1 False 286 -4.147 -0.663 -5.866 1 287
ATOM C CB . ASN A 0 58 . 58 ASN A CB 14.25 1.0 ? -1 -1 False <M> -1 0 . A58 -1 False 287 -5.274 1.969 -4.203 1 288
ATOM C CG . ASN A 0 58 . 58 ASN A CG nan 1.0 ? -1 -1 False <M> -1 0 . A58 -1 False 288 -6.397 0.96 -4.005 1 289
ATOM O OD1 . ASN A 0 58 . 58 ASN A OD1 nan 1.0 ? -1 -1 False <M> -1 0 . A58 -1 False 289 -6.407 0.221 -3.044 1 290
ATOM N ND2 . ASN A 0 58 . 58 ASN A ND2 nan 1.0 ? -1 -1 False <M> -1 0 . A58 -1 False 290 -7.305 0.914 -4.953 1 291
ATOM N N . GLU A 0 59 . 59 GLU A N 44.02 1.0 ? -1 -1 False <M> -1 0 . A59 -1 False 291 -3.937 1.3 -6.92 1 292
ATOM C CA . GLU A 0 59 . 59 GLU A CA 65.23 1.0 ? -1 -1 False <M> -1 0 . A59 -1 False 292 -3.944 0.67 -8.258 1 293
ATOM C C . GLU A 0 59 . 59 GLU A C 61.15 1.0 ? -1 -1 False <M> -1 0 . A59 -1 False 293 -2.694 -0.209 -8.449 1 294
ATOM O O . GLU A 0 59 . 59 GLU A O 61.2 1.0 ? -1 -1 False <M> -1 0 . A59 -1 False 294 -2.802 -1.312 -9.01 1 295
ATOM C CB . GLU A 0 59 . 59 GLU A CB 32.32 1.0 ? -1 -1 False <M> -1 0 . A59 -1 False 295 -4.018 1.754 -9.347 1 296
ATOM C CG . GLU A 0 59 . 59 GLU A CG 13.01 1.0 ? -1 -1 False <M> -1 0 . A59 -1 False 296 -3.968 1.209 -10.778 1 297
ATOM C CD . GLU A 0 59 . 59 GLU A CD 51.33 1.0 ? -1 -1 False <M> -1 0 . A59 -1 False 297 -5.145 0.318 -11.129 1 298
ATOM O OE1 . GLU A 0 59 . 59 GLU A OE1 nan 1.0 ? -1 -1 False <M> -1 0 . A59 -1 False 298 -6.229 0.49 -10.495 1 299
ATOM O OE2 . GLU A 0 59 . 59 GLU A OE2 nan 1.0 ? -1 -1 False <M> -1 0 . A59 -1 False 299 -5.023 -0.487 -12.086 1 300
ATOM N N . LEU A 0 60 . 60 LEU A N 41.04 1.0 ? -1 -1 False <M> -1 0 . A60 -1 False 300 -1.554 0.244 -7.992 1 301
ATOM C CA . LEU A 0 60 . 60 LEU A CA 33.4 1.0 ? -1 -1 False <M> -1 0 . A60 -1 False 301 -0.319 -0.542 -8.089 1 302
ATOM C C . LEU A 0 60 . 60 LEU A C 53.34 1.0 ? -1 -1 False <M> -1 0 . A60 -1 False 302 -0.422 -1.831 -7.274 1 303
ATOM O O . LEU A 0 60 . 60 LEU A O 14.14 1.0 ? -1 -1 False <M> -1 0 . A60 -1 False 303 -0.054 -2.915 -7.762 1 304
ATOM C CB . LEU A 0 60 . 60 LEU A CB 65.21 1.0 ? -1 -1 False <M> -1 0 . A60 -1 False 304 0.877 0.293 -7.618 1 305
ATOM C CG . LEU A 0 60 . 60 LEU A CG 10.23 1.0 ? -1 -1 False <M> -1 0 . A60 -1 False 305 2.239 -0.432 -7.591 1 306
ATOM C CD1 . LEU A 0 60 . 60 LEU A CD1 nan 1.0 ? -1 -1 False <M> -1 0 . A60 -1 False 306 2.591 -0.962 -8.958 1 307
ATOM C CD2 . LEU A 0 60 . 60 LEU A CD2 nan 1.0 ? -1 -1 False <M> -1 0 . A60 -1 False 307 3.314 0.493 -7.039 1 308
ATOM N N . ALA A 0 61 . 61 ALA A N 10.32 1.0 ? -1 -1 False <M> -1 0 . A61 -1 False 308 -0.921 -1.738 -6.019 1 309
ATOM C CA . ALA A 0 61 . 61 ALA A CA 72.3 1.0 ? -1 -1 False <M> -1 0 . A61 -1 False 309 -1.067 -2.91 -5.164 1 310
ATOM C C . ALA A 0 61 . 61 ALA A C 41.42 1.0 ? -1 -1 False <M> -1 0 . A61 -1 False 310 -2.0 -3.931 -5.804 1 311
ATOM O O . ALA A 0 61 . 61 ALA A O 33.51 1.0 ? -1 -1 False <M> -1 0 . A61 -1 False 311 -1.722 -5.137 -5.78 1 312
ATOM C CB . ALA A 0 61 . 61 ALA A CB 30.0 1.0 ? -1 -1 False <M> -1 0 . A61 -1 False 312 -1.568 -2.485 -3.797 1 313
ATOM N N . ASP A 0 62 . 62 ASP A N 4.12 1.0 ? -1 -1 False <M> -1 0 . A62 -1 False 313 -3.118 -3.476 -6.39 1 314
ATOM C CA . ASP A 0 62 . 62 ASP A CA 33.23 1.0 ? -1 -1 False <M> -1 0 . A62 -1 False 314 -4.075 -4.365 -7.064 1 315
ATOM C C . ASP A 0 62 . 62 ASP A C 1.24 1.0 ? -1 -1 False <M> -1 0 . A62 -1 False 315 -3.42 -5.044 -8.265 1 316
ATOM O O . ASP A 0 62 . 62 ASP A O 32.32 1.0 ? -1 -1 False <M> -1 0 . A62 -1 False 316 -3.596 -6.259 -8.48 1 317
ATOM C CB . ASP A 0 62 . 62 ASP A CB 15.01 1.0 ? -1 -1 False <M> -1 0 . A62 -1 False 317 -5.315 -3.589 -7.506 1 318
ATOM C CG . ASP A 0 62 . 62 ASP A CG 52.35 1.0 ? -1 -1 False <M> -1 0 . A62 -1 False 318 -6.379 -4.497 -8.119 1 319
ATOM O OD1 . ASP A 0 62 . 62 ASP A OD1 nan 1.0 ? -1 -1 False <M> -1 0 . A62 -1 False 319 -6.965 -5.302 -7.37 1 320
ATOM O OD2 . ASP A 0 62 . 62 ASP A OD2 nan 1.0 ? -1 -1 False <M> -1 0 . A62 -1 False 320 -6.594 -4.384 -9.33 1 321
ATOM N N . ARG A 0 63 . 63 ARG A N 4.41 1.0 ? -1 -1 False <M> -1 0 . A63 -1 False 321 -2.652 -4.282 -9.043 1 322
ATOM C CA . ARG A 0 63 . 63 ARG A CA 2.54 1.0 ? -1 -1 False <M> -1 0 . A63 -1 False 322 -1.953 -4.841 -10.201 1 323
ATOM C C . ARG A 0 63 . 63 ARG A C 23.41 1.0 ? -1 -1 False <M> -1 0 . A63 -1 False 323 -0.952 -5.915 -9.773 1 324
ATOM O O . ARG A 0 63 . 63 ARG A O 2.13 1.0 ? -1 -1 False <M> -1 0 . A63 -1 False 324 -0.864 -6.97 -10.418 1 325
ATOM C CB . ARG A 0 63 . 63 ARG A CB 12.44 1.0 ? -1 -1 False <M> -1 0 . A63 -1 False 325 -1.255 -3.723 -10.982 1 326
ATOM C CG . ARG A 0 63 . 63 ARG A CG 32.2 1.0 ? -1 -1 False <M> -1 0 . A63 -1 False 326 -0.479 -4.182 -12.203 1 327
ATOM C CD . ARG A 0 63 . 63 ARG A CD 5.32 1.0 ? -1 -1 False <M> -1 0 . A63 -1 False 327 -1.365 -4.895 -13.228 1 328
ATOM N NE . ARG A 0 63 . 63 ARG A NE 71.53 1.0 ? -1 -1 False <M> -1 0 . A63 -1 False 328 -0.635 -5.227 -14.439 1 329
ATOM C CZ . ARG A 0 63 . 63 ARG A CZ 14.02 1.0 ? -1 -1 False <M> -1 0 . A63 -1 False 329 -0.918 -6.287 -15.201 1 330
ATOM N NH1 . ARG A 0 63 . 63 ARG A NH1 72.33 1.0 ? -1 -1 False <M> -1 0 . A63 -1 False 330 -1.891 -7.136 -14.927 1 331
ATOM N NH2 . ARG A 0 63 . 63 ARG A NH2 35.2 1.0 +1 -1 -1 False <M> -1 0 . A63 -1 False 331 -0.225 -6.511 -16.294 1 332
ATOM N N . ILE A 0 64 . 64 ILE A N 4.31 1.0 ? -1 -1 False <M> -1 0 . A64 -1 False 332 -0.203 -5.681 -8.714 1 333
ATOM C CA . ILE A 0 64 . 64 ILE A CA 2.33 1.0 ? -1 -1 False <M> -1 0 . A64 -1 False 333 0.759 -6.663 -8.199 1 334
ATOM C C . ILE A 0 64 . 64 ILE A C 3.42 1.0 ? -1 -1 False <M> -1 0 . A64 -1 False 334 0.027 -7.932 -7.769 1 335
ATOM O O . ILE A 0 64 . 64 ILE A O 11.24 1.0 ? -1 -1 False <M> -1 0 . A64 -1 False 335 0.439 -9.045 -8.14 1 336
ATOM C CB . ILE A 0 64 . 64 ILE A CB 20.54 1.0 ? -1 -1 False <M> -1 0 . A64 -1 False 336 1.584 -6.069 -7.041 1 337
ATOM C CG1 . ILE A 0 64 . 64 ILE A CG1 nan 1.0 ? -1 -1 False <M> -1 0 . A64 -1 False 337 2.546 -4.993 -7.569 1 338
ATOM C CG2 . ILE A 0 64 . 64 ILE A CG2 nan 1.0 ? -1 -1 False <M> -1 0 . A64 -1 False 338 2.361 -7.173 -6.324 1 339
ATOM C CD1 . ILE A 0 64 . 64 ILE A CD1 4.52 1.0 ? -1 -1 False <M> -1 0 . A64 -1 False 339 3.21 -4.202 -6.451 1 340
ATOM N N . ALA A 0 65 . 65 ALA A N 22.02 1.0 ? -1 -1 False <M> -1 0 . A65 -1 False 340 -1.048 -7.776 -7.006 1 341
ATOM C CA . ALA A 0 65 . 65 ALA A CA 42.2 1.0 ? -1 -1 False <M> -1 0 . A65 -1 False 341 -1.819 -8.924 -6.55 1 342
ATOM C C . ALA A 0 65 . 65 ALA A C 22.03 1.0 ? -1 -1 False <M> -1 0 . A65 -1 False 342 -2.32 -9.759 -7.722 1 343
ATOM O O . ALA A 0 65 . 65 ALA A O 30.4 1.0 ? -1 -1 False <M> -1 0 . A65 -1 False 343 -2.241 -10.984 -7.688 1 344
ATOM C CB . ALA A 0 65 . 65 ALA A CB 44.44 1.0 ? -1 -1 False <M> -1 0 . A65 -1 False 344 -2.971 -8.453 -5.69 1 345
ATOM N N . LYS A 0 66 . 66 LYS A N 64.34 1.0 ? -1 -1 False <M> -1 0 . A66 -1 False 345 -2.847 -9.117 -8.765 1 346
ATOM C CA . LYS A 0 66 . 66 LYS A CA 60.33 1.0 ? -1 -1 False <M> -1 0 . A66 -1 False 346 -3.345 -9.82 -9.946 1 347
ATOM C C . LYS A 0 66 . 66 LYS A C 44.21 1.0 ? -1 -1 False <M> -1 0 . A66 -1 False 347 -2.208 -10.523 -10.689 1 348
ATOM O O . LYS A 0 66 . 66 LYS A O 54.15 1.0 ? -1 -1 False <M> -1 0 . A66 -1 False 348 -2.388 -11.637 -11.148 1 349
ATOM C CB . LYS A 0 66 . 66 LYS A CB 34.21 1.0 ? -1 -1 False <M> -1 0 . A66 -1 False 349 -4.073 -8.858 -10.894 1 350
ATOM C CG . LYS A 0 66 . 66 LYS A CG 55.5 1.0 ? -1 -1 False <M> -1 0 . A66 -1 False 350 -5.357 -8.248 -10.313 1 351
ATOM C CD . LYS A 0 66 . 66 LYS A CD 74.04 1.0 ? -1 -1 False <M> -1 0 . A66 -1 False 351 -6.373 -9.339 -10.019 1 352
ATOM C CE . LYS A 0 66 . 66 LYS A CE 45.11 1.0 ? -1 -1 False <M> -1 0 . A66 -1 False 352 -7.779 -8.766 -9.587 1 353
ATOM N NZ . LYS A 0 66 . 66 LYS A NZ 31.51 1.0 +1 -1 -1 False <M> -1 0 . A66 -1 False 353 -7.642 -7.984 -8.325 1 354
ATOM N N . THR A 0 67 . 67 THR A N 12.42 1.0 ? -1 -1 False <M> -1 0 . A67 -1 False 354 -1.09 -9.927 -10.819 1 355
ATOM C CA . THR A 0 67 . 67 THR A CA 51.44 1.0 ? -1 -1 False <M> -1 0 . A67 -1 False 355 0.072 -10.503 -11.532 1 356
ATOM C C . THR A 0 67 . 67 THR A C 65.43 1.0 ? -1 -1 False <M> -1 0 . A67 -1 False 356 0.589 -11.773 -10.844 1 357
ATOM O O . THR A 0 67 . 67 THR A O 11.44 1.0 ? -1 -1 False <M> -1 0 . A67 -1 False 357 0.951 -12.75 -11.53 1 358
ATOM C CB . THR A 0 67 . 67 THR A CB 35.22 1.0 ? -1 -1 False <M> -1 0 . A67 -1 False 358 1.209 -9.463 -11.638 1 359
ATOM O OG1 . THR A 0 67 . 67 THR A OG1 nan 1.0 ? -1 -1 False <M> -1 0 . A67 -1 False 359 0.745 -8.345 -12.406 1 360
ATOM C CG2 . THR A 0 67 . 67 THR A CG2 nan 1.0 ? -1 -1 False <M> -1 0 . A67 -1 False 360 2.425 -10.071 -12.338 1 361
ATOM N N . TYR A 0 68 . 68 TYR A N 3.33 1.0 ? -1 -1 False <M> -1 0 . A68 -1 False 361 0.578 -11.741 -9.539 1 362
ATOM C CA . TYR A 0 68 . 68 TYR A CA 40.02 1.0 ? -1 -1 False <M> -1 0 . A68 -1 False 362 1.196 -12.834 -8.777 1 363
ATOM C C . TYR A 0 68 . 68 TYR A C 42.13 1.0 ? -1 -1 False <M> -1 0 . A68 -1 False 363 0.185 -13.772 -8.128 1 364
ATOM O O . TYR A 0 68 . 68 TYR A O 4.35 1.0 ? -1 -1 False <M> -1 0 . A68 -1 False 364 0.581 -14.67 -7.38 1 365
ATOM C CB . TYR A 0 68 . 68 TYR A CB 74.25 1.0 ? -1 -1 False <M> -1 0 . A68 -1 False 365 2.163 -12.268 -7.732 1 366
ATOM C CG . TYR A 0 68 . 68 TYR A CG 51.15 1.0 ? -1 -1 False <M> -1 0 . A68 -1 False 366 3.374 -11.619 -8.355 1 367
ATOM C CD1 . TYR A 0 68 . 68 TYR A CD1 22.05 1.0 ? -1 -1 False <M> -1 0 . A68 -1 False 367 4.399 -12.395 -8.886 1 368
ATOM C CD2 . TYR A 0 68 . 68 TYR A CD2 44.23 1.0 ? -1 -1 False <M> -1 0 . A68 -1 False 368 3.491 -10.217 -8.42 1 369
ATOM C CE1 . TYR A 0 68 . 68 TYR A CE1 24.23 1.0 ? -1 -1 False <M> -1 0 . A68 -1 False 369 5.493 -11.79 -9.47 1 370
ATOM C CE2 . TYR A 0 68 . 68 TYR A CE2 24.13 1.0 ? -1 -1 False <M> -1 0 . A68 -1 False 370 4.594 -9.631 -9.013 1 371
ATOM C CZ . TYR A 0 68 . 68 TYR A CZ 12.24 1.0 ? -1 -1 False <M> -1 0 . A68 -1 False 371 5.591 -10.413 -9.544 1 372
ATOM O OH . TYR A 0 68 . 68 TYR A OH nan 1.0 ? -1 -1 False <M> -1 0 . A68 -1 False 372 6.704 -9.827 -10.125 1 373
ATOM N N . ASN A 0 69 . 69 ASN A N 14.0 1.0 ? -1 -1 False <M> -1 0 . A69 -1 False 373 -1.056 -13.602 -8.441 1 374
ATOM C CA . ASN A 0 69 . 69 ASN A CA 45.02 1.0 ? -1 -1 False <M> -1 0 . A69 -1 False 374 -2.145 -14.418 -7.872 1 375
ATOM C C . ASN A 0 69 . 69 ASN A C 14.14 1.0 ? -1 -1 False <M> -1 0 . A69 -1 False 375 -2.078 -14.466 -6.339 1 376
ATOM O O . ASN A 0 69 . 69 ASN A O 15.35 1.0 ? -1 -1 False <M> -1 0 . A69 -1 False 376 -2.032 -15.526 -5.724 1 377
ATOM C CB . ASN A 0 69 . 69 ASN A CB 0.14 1.0 ? -1 -1 False <M> -1 0 . A69 -1 False 377 -2.138 -15.824 -8.47 1 378
ATOM C CG . ASN A 0 69 . 69 ASN A CG 71.55 1.0 ? -1 -1 False <M> -1 0 . A69 -1 False 378 -3.444 -16.566 -8.209 1 379
ATOM O OD1 . ASN A 0 69 . 69 ASN A OD1 35.42 1.0 ? -1 -1 False <M> -1 0 . A69 -1 False 379 -4.528 -15.931 -8.12 1 380
ATOM N ND2 . ASN A 0 69 . 69 ASN A ND2 62.03 1.0 ? -1 -1 False <M> -1 0 . A69 -1 False 380 -3.385 -17.875 -8.047 1 381
ATOM N N . ILE A 0 70 . 70 ILE A N 51.44 1.0 ? -1 -1 False <M> -1 0 . A70 -1 False 381 -2.103 -13.289 -5.769 1 382
ATOM C CA . ILE A 0 70 . 70 ILE A CA 65.15 1.0 ? -1 -1 False <M> -1 0 . A70 -1 False 382 -2.056 -13.168 -4.304 1 383
ATOM C C . ILE A 0 70 . 70 ILE A C 31.23 1.0 ? -1 -1 False <M> -1 0 . A70 -1 False 383 -3.125 -12.186 -3.823 1 384
ATOM O O . ILE A 0 70 . 70 ILE A O 52.42 1.0 ? -1 -1 False <M> -1 0 . A70 -1 False 384 -3.667 -11.4 -4.629 1 385
ATOM C CB . ILE A 0 70 . 70 ILE A CB 43.11 1.0 ? -1 -1 False <M> -1 0 . A70 -1 False 385 -0.65 -12.75 -3.801 1 386
ATOM C CG1 . ILE A 0 70 . 70 ILE A CG1 61.24 1.0 ? -1 -1 False <M> -1 0 . A70 -1 False 386 -0.259 -11.361 -4.342 1 387
ATOM C CG2 . ILE A 0 70 . 70 ILE A CG2 30.34 1.0 ? -1 -1 False <M> -1 0 . A70 -1 False 387 0.395 -13.812 -4.161 1 388
ATOM C CD1 . ILE A 0 70 . 70 ILE A CD1 51.11 1.0 ? -1 -1 False <M> -1 0 . A70 -1 False 388 1.01 -10.814 -3.769 1 389
ATOM N N . SER A 0 71 . 71 SER A N 22.03 1.0 ? -1 -1 False <M> -1 0 . A71 -1 False 389 -3.409 -12.274 -2.471 1 390
ATOM C CA . SER A 0 71 . 71 SER A CA 31.14 1.0 ? -1 -1 False <M> -1 0 . A71 -1 False 390 -4.386 -11.391 -1.848 1 391
ATOM C C . SER A 0 71 . 71 SER A C 45.13 1.0 ? -1 -1 False <M> -1 0 . A71 -1 False 391 -3.731 -10.082 -1.457 1 392
ATOM O O . SER A 0 71 . 71 SER A O 64.41 1.0 ? -1 -1 False <M> -1 0 . A71 -1 False 392 -2.569 -10.043 -1.052 1 393
ATOM C CB . SER A 0 71 . 71 SER A CB 75.41 1.0 ? -1 -1 False <M> -1 0 . A71 -1 False 393 -5.003 -12.05 -0.618 1 394
ATOM O OG . SER A 0 71 . 71 SER A OG nan 1.0 ? -1 -1 False <M> -1 0 . A71 -1 False 394 -5.704 -13.217 -0.974 1 395
ATOM N N . VAL A 0 72 . 72 VAL A N 71.31 1.0 ? -1 -1 False <M> -1 0 . A72 -1 False 395 -4.516 -9.004 -1.551 1 396
ATOM C CA . VAL A 0 72 . 72 VAL A CA 21.44 1.0 ? -1 -1 False <M> -1 0 . A72 -1 False 396 -4.055 -7.686 -1.15 1 397
ATOM C C . VAL A 0 72 . 72 VAL A C 31.25 1.0 ? -1 -1 False <M> -1 0 . A72 -1 False 397 -5.188 -6.944 -0.462 1 398
ATOM O O . VAL A 0 72 . 72 VAL A O 73.2 1.0 ? -1 -1 False <M> -1 0 . A72 -1 False 398 -6.369 -7.164 -0.767 1 399
ATOM C CB . VAL A 0 72 . 72 VAL A CB 14.11 1.0 ? -1 -1 False <M> -1 0 . A72 -1 False 399 -3.52 -6.9 -2.371 1 400
ATOM C CG1 . VAL A 0 72 . 72 VAL A CG1 73.25 1.0 ? -1 -1 False <M> -1 0 . A72 -1 False 400 -4.648 -6.514 -3.328 1 401
ATOM C CG2 . VAL A 0 72 . 72 VAL A CG2 13.24 1.0 ? -1 -1 False <M> -1 0 . A72 -1 False 401 -2.746 -5.684 -1.922 1 402
ATOM N N . SER A 0 73 . 73 SER A N 12.25 1.0 ? -1 -1 False <M> -1 0 . A73 -1 False 402 -4.822 -6.083 0.491 1 403
ATOM C CA . SER A 0 73 . 73 SER A CA 43.31 1.0 ? -1 -1 False <M> -1 0 . A73 -1 False 403 -5.779 -5.184 1.126 1 404
ATOM C C . SER A 0 73 . 73 SER A C 42.41 1.0 ? -1 -1 False <M> -1 0 . A73 -1 False 404 -5.115 -3.846 1.389 1 405
ATOM O O . SER A 0 73 . 73 SER A O 10.03 1.0 ? -1 -1 False <M> -1 0 . A73 -1 False 405 -3.894 -3.778 1.587 1 406
ATOM C CB . SER A 0 73 . 73 SER A CB 12.11 1.0 ? -1 -1 False <M> -1 0 . A73 -1 False 406 -6.331 -5.777 2.424 1 407
ATOM O OG . SER A 0 73 . 73 SER A OG nan 1.0 ? -1 -1 False <M> -1 0 . A73 -1 False 407 -5.335 -5.902 3.401 1 408
ATOM N N . THR A 0 74 . 74 THR A N 14.22 1.0 ? -1 -1 False <M> -1 0 . A74 -1 False 408 -5.904 -2.807 1.402 1 409
ATOM C CA . THR A 0 74 . 74 THR A CA 2.41 1.0 ? -1 -1 False <M> -1 0 . A74 -1 False 409 -5.411 -1.449 1.674 1 410
ATOM C C . THR A 0 74 . 74 THR A C 31.32 1.0 ? -1 -1 False <M> -1 0 . A74 -1 False 410 -6.275 -0.761 2.739 1 411
ATOM O O . THR A 0 74 . 74 THR A O 24.33 1.0 ? -1 -1 False <M> -1 0 . A74 -1 False 411 -7.481 -1.005 2.812 1 412
ATOM C CB . THR A 0 74 . 74 THR A CB 71.53 1.0 ? -1 -1 False <M> -1 0 . A74 -1 False 412 -5.378 -0.58 0.405 1 413
ATOM O OG1 . THR A 0 74 . 74 THR A OG1 nan 1.0 ? -1 -1 False <M> -1 0 . A74 -1 False 413 -6.7 -0.385 -0.093 1 414
ATOM C CG2 . THR A 0 74 . 74 THR A CG2 nan 1.0 ? -1 -1 False <M> -1 0 . A74 -1 False 414 -4.508 -1.227 -0.689 1 415
ATOM N N . THR A 0 75 . 75 THR A N 74.53 1.0 ? -1 -1 False <M> -1 0 . A75 -1 False 415 -5.614 0.085 3.54 1 416
ATOM C CA . THR A 0 75 . 75 THR A CA 61.31 1.0 ? -1 -1 False <M> -1 0 . A75 -1 False 416 -6.288 0.9 4.56 1 417
ATOM C C . THR A 0 75 . 75 THR A C 42.52 1.0 ? -1 -1 False <M> -1 0 . A75 -1 False 417 -5.721 2.307 4.496 1 418
ATOM O O . THR A 0 75 . 75 THR A O 23.22 1.0 ? -1 -1 False <M> -1 0 . A75 -1 False 418 -4.511 2.492 4.495 1 419
ATOM C CB . THR A 0 75 . 75 THR A CB 60.05 1.0 ? -1 -1 False <M> -1 0 . A75 -1 False 419 -6.083 0.317 5.957 1 420
ATOM O OG1 . THR A 0 75 . 75 THR A OG1 54.01 1.0 ? -1 -1 False <M> -1 0 . A75 -1 False 420 -6.632 -0.994 6.015 1 421
ATOM C CG2 . THR A 0 75 . 75 THR A CG2 40.25 1.0 ? -1 -1 False <M> -1 0 . A75 -1 False 421 -6.754 1.181 7.031 1 422
ATOM N N . ILE A 0 76 . 76 ILE A N 44.14 1.0 ? -1 -1 False <M> -1 0 . A76 -1 False 422 -6.579 3.347 4.452 1 423
ATOM C CA . ILE A 0 76 . 76 ILE A CA 43.11 1.0 ? -1 -1 False <M> -1 0 . A76 -1 False 423 -6.208 4.753 4.449 1 424
ATOM C C . ILE A 0 76 . 76 ILE A C 4.14 1.0 ? -1 -1 False <M> -1 0 . A76 -1 False 424 -6.515 5.327 5.826 1 425
ATOM O O . ILE A 0 76 . 76 ILE A O 35.03 1.0 ? -1 -1 False <M> -1 0 . A76 -1 False 425 -7.673 5.261 6.295 1 426
ATOM C CB . ILE A 0 76 . 76 ILE A CB 23.03 1.0 ? -1 -1 False <M> -1 0 . A76 -1 False 426 -6.946 5.539 3.341 1 427
ATOM C CG1 . ILE A 0 76 . 76 ILE A CG1 24.4 1.0 ? -1 -1 False <M> -1 0 . A76 -1 False 427 -6.699 4.908 1.949 1 428
ATOM C CG2 . ILE A 0 76 . 76 ILE A CG2 10.3 1.0 ? -1 -1 False <M> -1 0 . A76 -1 False 428 -6.538 7.019 3.365 1 429
ATOM C CD1 . ILE A 0 76 . 76 ILE A CD1 40.22 1.0 ? -1 -1 False <M> -1 0 . A76 -1 False 429 -5.242 4.951 1.539 1 430
ATOM N N . ARG A 0 77 . 77 ARG A N 44.01 1.0 ? -1 -1 False <M> -1 0 . A77 -1 False 430 -5.502 5.87 6.427 1 431
ATOM C CA . ARG A 0 77 . 77 ARG A CA 12.33 1.0 ? -1 -1 False <M> -1 0 . A77 -1 False 431 -5.659 6.563 7.706 1 432
ATOM C C . ARG A 0 77 . 77 ARG A C 61.12 1.0 ? -1 -1 False <M> -1 0 . A77 -1 False 432 -5.67 8.067 7.424 1 433
ATOM O O . ARG A 0 77 . 77 ARG A O 31.51 1.0 ? -1 -1 False <M> -1 0 . A77 -1 False 433 -4.61 8.663 7.189 1 434
ATOM C CB . ARG A 0 77 . 77 ARG A CB 61.42 1.0 ? -1 -1 False <M> -1 0 . A77 -1 False 434 -4.522 6.189 8.663 1 435
ATOM C CG . ARG A 0 77 . 77 ARG A CG 13.31 1.0 ? -1 -1 False <M> -1 0 . A77 -1 False 435 -4.414 4.668 8.946 1 436
ATOM C CD . ARG A 0 77 . 77 ARG A CD 44.32 1.0 ? -1 -1 False <M> -1 0 . A77 -1 False 436 -5.611 4.131 9.767 1 437
ATOM N NE . ARG A 0 77 . 77 ARG A NE 2.14 1.0 ? -1 -1 False <M> -1 0 . A77 -1 False 437 -5.644 4.747 11.085 1 438
ATOM C CZ . ARG A 0 77 . 77 ARG A CZ 23.42 1.0 ? -1 -1 False <M> -1 0 . A77 -1 False 438 -6.641 4.571 11.905 1 439
ATOM N NH1 . ARG A 0 77 . 77 ARG A NH1 72.52 1.0 ? -1 -1 False <M> -1 0 . A77 -1 False 439 -7.73 3.829 11.593 1 440
ATOM N NH2 . ARG A 0 77 . 77 ARG A NH2 4.44 1.0 +1 -1 -1 False <M> -1 0 . A77 -1 False 440 -6.568 5.157 13.097 1 441
ATOM N N . HIS A 0 78 . 78 HIS A N 50.44 1.0 ? -1 -1 False <M> -1 0 . A78 -1 False 441 -6.873 8.707 7.42 1 442
ATOM C CA . HIS A 0 78 . 78 HIS A CA 72.22 1.0 ? -1 -1 False <M> -1 0 . A78 -1 False 442 -7.056 10.142 7.13 1 443
ATOM C C . HIS A 0 78 . 78 HIS A C 3.21 1.0 ? -1 -1 False <M> -1 0 . A78 -1 False 443 -6.672 11.006 8.336 1 444
ATOM O O . HIS A 0 78 . 78 HIS A O 41.33 1.0 ? -1 -1 False <M> -1 0 . A78 -1 False 444 -6.832 10.596 9.503 1 445
ATOM C CB . HIS A 0 78 . 78 HIS A CB 71.24 1.0 ? -1 -1 False <M> -1 0 . A78 -1 False 445 -8.511 10.428 6.732 1 446
ATOM C CG . HIS A 0 78 . 78 HIS A CG 15.42 1.0 ? -1 -1 False <M> -1 0 . A78 -1 False 446 -8.931 9.793 5.44 1 447
ATOM N ND1 . HIS A 0 78 . 78 HIS A ND1 nan 1.0 +1 -1 -1 False <M> -1 0 . A78 -1 False 447 -8.628 10.312 4.2 1 448
ATOM C CD2 . HIS A 0 78 . 78 HIS A CD2 63.21 1.0 ? -1 -1 False <M> -1 0 . A78 -1 False 448 -9.614 8.628 5.216 1 449
ATOM C CE1 . HIS A 0 78 . 78 HIS A CE1 nan 1.0 ? -1 -1 False <M> -1 0 . A78 -1 False 449 -9.097 9.529 3.263 1 450
ATOM N NE2 . HIS A 0 78 . 78 HIS A NE2 nan 1.0 ? -1 -1 False <M> -1 0 . A78 -1 False 450 -9.712 8.501 3.829 1 451
ATOM N N . HIS A 0 79 . 79 HIS A N 75.52 1.0 ? -1 -1 False <M> -1 0 . A79 -1 False 451 -6.148 12.237 8.102 1 452
ATOM C CA . HIS A 0 79 . 79 HIS A CA 41.24 1.0 ? -1 -1 False <M> -1 0 . A79 -1 False 452 -5.866 13.209 9.138 1 453
ATOM C C . HIS A 0 79 . 79 HIS A C 64.14 1.0 ? -1 -1 False <M> -1 0 . A79 -1 False 453 -7.184 13.702 9.702 1 454
ATOM O O . HIS A 0 79 . 79 HIS A O 4.01 1.0 ? -1 -1 False <M> -1 0 . A79 -1 False 454 -7.37 13.807 10.895 1 455
ATOM C CB . HIS A 0 79 . 79 HIS A CB 75.54 1.0 ? -1 -1 False <M> -1 0 . A79 -1 False 455 -5.031 14.366 8.564 1 456
ATOM C CG . HIS A 0 79 . 79 HIS A CG 53.25 1.0 ? -1 -1 False <M> -1 0 . A79 -1 False 456 -4.645 15.377 9.584 1 457
ATOM N ND1 . HIS A 0 79 . 79 HIS A ND1 nan 1.0 +1 -1 -1 False <M> -1 0 . A79 -1 False 457 -3.581 15.211 10.446 1 458
ATOM C CD2 . HIS A 0 79 . 79 HIS A CD2 nan 1.0 ? -1 -1 False <M> -1 0 . A79 -1 False 458 -5.172 16.588 9.89 1 459
ATOM C CE1 . HIS A 0 79 . 79 HIS A CE1 nan 1.0 ? -1 -1 False <M> -1 0 . A79 -1 False 459 -3.502 16.256 11.218 1 460
ATOM N NE2 . HIS A 0 79 . 79 HIS A NE2 nan 1.0 ? -1 -1 False <M> -1 0 . A79 -1 False 460 -4.459 17.115 10.895 1 461
#
_cell.length_a 1.0
_cell.length_b 1.0
_cell.length_c 1.0
_cell.angle_alpha 90.0
_cell.angle_beta 90.0
_cell.angle_gamma 90.0
#
loop_
_condition_InternalCoordinate_1_atom.idx0
_condition_InternalCoordinate_1_atom.val0
_condition_InternalCoordinate_1_atom.val1
_condition_InternalCoordinate_1_atom.val2
0 nan nan nan
1 nan nan nan
2 nan nan nan
3 nan nan nan
4 nan nan nan
5 nan nan nan
6 nan nan nan
7 nan nan nan
8 nan nan nan
9 nan nan nan
10 nan nan nan
11 nan nan nan
12 nan nan nan
13 nan nan nan
14 nan nan nan
15 nan nan nan
16 nan nan nan
17 nan nan nan
18 nan nan nan
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160 nan nan nan
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162 nan nan nan
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164 nan nan nan
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166 nan nan nan
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169 nan nan nan
170 nan nan nan
171 nan nan nan
172 nan nan nan
173 nan nan nan
174 nan nan nan
175 nan nan nan
176 nan nan nan
177 nan nan nan
178 nan nan nan
179 nan nan nan
180 nan nan nan
181 nan nan nan
182 nan nan nan
183 nan nan nan
184 nan nan nan
185 nan nan nan
186 nan nan nan
187 nan nan nan
188 nan nan nan
189 nan nan nan
190 nan nan nan
191 nan nan nan
192 nan nan nan
193 nan nan nan
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195 nan nan nan
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198 nan nan nan
199 nan nan nan
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212 nan nan nan
213 nan nan nan
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217 nan nan nan
218 nan nan nan
219 nan nan nan
220 nan nan nan
221 nan nan nan
222 nan nan nan
223 nan nan nan
224 nan nan nan
225 nan nan nan
226 nan nan nan
227 nan nan nan
228 nan nan nan
229 nan nan nan
230 nan nan nan
231 nan nan nan
232 nan nan nan
233 nan nan nan
234 nan nan nan
235 nan nan nan
236 nan nan nan
237 nan nan nan
238 nan nan nan
239 nan nan nan
240 nan nan nan
241 nan nan nan
242 nan nan nan
243 nan nan nan
244 nan nan nan
245 nan nan nan
246 nan nan nan
247 nan nan nan
248 nan nan nan
249 nan nan nan
250 nan nan nan
251 nan nan nan
252 nan nan nan
253 nan nan nan
254 nan nan nan
255 nan nan nan
256 nan nan nan
257 nan nan nan
258 nan nan nan
259 nan nan nan
260 nan nan nan
261 nan nan nan
262 nan nan nan
263 nan nan nan
264 nan nan nan
265 nan nan nan
266 nan nan nan
267 nan nan nan
268 nan nan nan
269 nan nan nan
270 nan nan nan
271 nan nan nan
272 nan nan nan
273 nan nan nan
274 nan nan nan
275 nan nan nan
276 nan nan nan
277 nan nan nan
278 nan nan nan
279 nan nan nan
280 nan nan nan
281 nan nan nan
282 nan nan nan
283 nan nan nan
284 nan nan nan
285 nan nan nan
286 nan nan nan
287 nan nan nan
288 nan nan nan
289 nan nan nan
290 nan nan nan
291 nan nan nan
292 nan nan nan
293 nan nan nan
294 nan nan nan
295 nan nan nan
296 nan nan nan
297 nan nan nan
298 nan nan nan
299 nan nan nan
300 nan nan nan
301 nan nan nan
302 nan nan nan
303 nan nan nan
304 nan nan nan
305 nan nan nan
306 nan nan nan
307 nan nan nan
308 nan nan nan
309 nan nan nan
310 nan nan nan
311 nan nan nan
312 nan nan nan
313 nan nan nan
314 nan nan nan
315 nan nan nan
316 nan nan nan
317 nan nan nan
318 nan nan nan
319 nan nan nan
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321 nan nan nan
322 nan nan nan
323 nan nan nan
324 nan nan nan
325 nan nan nan
326 nan nan nan
327 nan nan nan
328 nan nan nan
329 nan nan nan
330 nan nan nan
331 nan nan nan
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333 nan nan nan
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335 nan nan nan
336 nan nan nan
337 nan nan nan
338 nan nan nan
339 nan nan nan
340 nan nan nan
341 nan nan nan
342 nan nan nan
343 nan nan nan
344 nan nan nan
345 nan nan nan
346 nan nan nan
347 nan nan nan
348 nan nan nan
349 nan nan nan
350 nan nan nan
351 nan nan nan
352 nan nan nan
353 nan nan nan
354 nan nan nan
355 nan nan nan
356 nan nan nan
357 nan nan nan
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359 nan nan nan
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361 nan nan nan
362 nan nan nan
363 nan nan nan
364 nan nan nan
365 nan nan nan
366 nan nan nan
367 nan nan nan
368 nan nan nan
369 nan nan nan
370 nan nan nan
371 nan nan nan
372 nan nan nan
373 nan nan nan
374 nan nan nan
375 nan nan nan
376 nan nan nan
377 nan nan nan
378 nan nan nan
379 nan nan nan
380 nan nan nan
381 nan nan nan
382 nan nan nan
383 nan nan nan
384 nan nan nan
385 nan nan nan
386 nan nan nan
387 nan nan nan
388 nan nan nan
389 nan nan nan
390 nan nan nan
391 nan nan nan
392 nan nan nan
393 nan nan nan
394 nan nan nan
395 nan nan nan
396 nan nan nan
397 nan nan nan
398 nan nan nan
399 nan nan nan
400 nan nan nan
401 nan nan nan
402 nan nan nan
403 nan nan nan
404 nan nan nan
405 nan nan nan
406 nan nan nan
407 nan nan nan
408 nan nan nan
409 nan nan nan
410 nan nan nan
411 nan nan nan
412 nan nan nan
413 nan nan nan
414 nan nan nan
415 nan nan nan
416 nan nan nan
417 nan nan nan
418 nan nan nan
419 nan nan nan
420 nan nan nan
421 nan nan nan
422 nan nan nan
423 nan nan nan
424 nan nan nan
425 nan nan nan
426 nan nan nan
427 nan nan nan
428 nan nan nan
429 nan nan nan
430 nan nan nan
431 nan nan nan
432 nan nan nan
433 nan nan nan
434 nan nan nan
435 nan nan nan
436 nan nan nan
437 nan nan nan
438 nan nan nan
439 nan nan nan
440 nan nan nan
441 nan nan nan
442 nan nan nan
443 nan nan nan
444 nan nan nan
445 nan nan nan
446 nan nan nan
447 nan nan nan
448 nan nan nan
449 nan nan nan
450 nan nan nan
451 nan nan nan
452 nan nan nan
453 nan nan nan
454 nan nan nan
455 nan nan nan
456 nan nan nan
457 nan nan nan
458 nan nan nan
459 nan nan nan
460 nan nan nan
#
loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.charge
_chem_comp_atom.pdbx_aromatic_flag
_chem_comp_atom.pdbx_leaving_atom_flag
_chem_comp_atom.pdbx_model_Cartn_x_ideal
_chem_comp_atom.pdbx_model_Cartn_y_ideal
_chem_comp_atom.pdbx_model_Cartn_z_ideal
ALA N N 0 N N -0.9660000205039978 0.49300000071525574 1.5
ALA CA C 0 N N 0.25699999928474426 0.4180000126361847 0.6919999718666077
ALA C C 0 N N -0.09399999678134918 0.017000000923871994 -0.7160000205039978
ALA O O 0 N N -1.055999994277954 -0.6819999814033508 -0.9229999780654907
ALA CB C 0 N N 1.2039999961853027 -0.6200000047683716 1.2960000038146973
ALA OXT O 0 N Y 0.6610000133514404 0.4390000104904175 -1.7419999837875366
ALA H H 0 N N -1.3830000162124634 -0.42500001192092896 1.4819999933242798
ALA H2 H 0 N Y -0.6759999990463257 0.6610000133514404 2.4519999027252197
ALA HA H 0 N N 0.7459999918937683 1.3919999599456787 0.6819999814033508
ALA HB1 H 0 N N 1.4589999914169312 -0.33000001311302185 2.315999984741211
ALA HB2 H 0 N N 0.7149999737739563 -1.593999981880188 1.3070000410079956
ALA HB3 H 0 N N 2.11299991607666 -0.6759999990463257 0.6970000267028809
ALA HXT H 0 N Y 0.4350000023841858 0.18199999630451202 -2.6470000743865967
ARG N N 0 N N -0.4690000116825104 1.1100000143051147 -0.9929999709129333
ARG CA C 0 N N 0.004000000189989805 2.2939999103546143 -1.7079999446868896
ARG C C 0 N N -0.9070000052452087 2.5209999084472656 -2.9010000228881836
ARG O O 0 N N -1.8270000219345093 1.7890000343322754 -3.242000102996826
ARG CB C 0 N N 1.475000023841858 2.1500000953674316 -2.127000093460083
ARG CG C 0 N N 1.7450000047683716 1.0169999599456787 -3.130000114440918
ARG CD C 0 N N 3.2100000381469727 0.9539999961853027 -3.556999921798706
ARG NE N 0 N N 4.071000099182129 0.7260000109672546 -2.4210000038146973
ARG CZ C 0 N N 5.468999862670898 0.6240000128746033 -2.5280001163482666
ARG NH1 N 0 N N 6.258999824523926 0.40400001406669617 -1.4049999713897705
ARG NH2 N 1 N N 6.078000068664551 0.7440000176429749 -3.7730000019073486
ARG OXT O 0 N Y -0.5879999995231628 3.6589999198913574 -3.5739998817443848
ARG H H 0 N N -0.057999998331069946 0.902999997138977 -0.10899999737739563
ARG H2 H 0 N Y -1.0240000486373901 0.4519999921321869 -1.49399995803833
ARG HA H 0 N N -0.10300000011920929 3.1519999504089355 -1.034000039100647
ARG HB2 H 0 N N 2.0859999656677246 1.9880000352859497 -1.2300000190734863
ARG HB3 H 0 N N 1.8140000104904175 3.0989999771118164 -2.562999963760376
ARG HG2 H 0 N N 1.1360000371932983 1.1699999570846558 -4.0289998054504395
ARG HG3 H 0 N N 1.4470000267028809 0.05400000140070915 -2.697999954223633
ARG HD2 H 0 N N 3.3480000495910645 0.13300000131130219 -4.269000053405762
ARG HD3 H 0 N N 3.505000114440918 1.8799999952316284 -4.061999797821045
ARG HE H 0 N N 3.6740000247955322 0.6269999742507935 -1.4789999723434448
ARG HH11 H 0 N N 7.270999908447266 0.3310000002384186 -1.4839999675750732
ARG HH12 H 0 N N 5.857999801635742 0.3070000112056732 -0.47600001096725464
ARG HH21 H 0 N N 5.53000020980835 0.906000018119812 -4.613999843597412
ARG HH22 H 0 N N 7.0879998207092285 0.675000011920929 -3.874000072479248
ARG HXT H 0 N Y -1.1490000486373901 3.8550000190734863 -4.355000019073486
ASN N N 0 N N -0.2930000126361847 1.6859999895095825 0.09399999678134918
ASN CA C 0 N N -0.4480000138282776 0.2919999957084656 -0.3400000035762787
ASN C C 0 N N -1.8459999561309814 -0.17900000512599945 -0.03099999949336052
ASN O O 0 N N -2.509999990463257 0.4020000100135803 0.7940000295639038
ASN CB C 0 N N 0.5619999766349792 -0.5879999995231628 0.4009999930858612
ASN CG C 0 N N 1.9600000381469727 -0.19699999690055847 -0.0020000000949949026
ASN OD1 O 0 N N 2.131999969482422 0.6970000267028809 -0.8040000200271606
ASN ND2 N 0 N N 3.0190000534057617 -0.8410000205039978 0.5270000100135803
ASN OXT O 0 N Y -2.3529999256134033 -1.2430000305175781 -0.6729999780654907
ASN H H 0 N N -0.9039999842643738 2.296999931335449 -0.4269999861717224
ASN H2 H 0 N Y -0.453000009059906 1.7760000228881836 1.0859999656677246
ASN HA H 0 N N -0.27000001072883606 0.22300000488758087 -1.4129999876022339
ASN HB2 H 0 N N 0.44200000166893005 -0.45100000500679016 1.4759999513626099
ASN HB3 H 0 N N 0.3889999985694885 -1.6330000162124634 0.1459999978542328
ASN HD21 H 0 N N 2.88100004196167 -1.555999994277954 1.1679999828338623
ASN HD22 H 0 N N 3.9189999103546143 -0.5899999737739563 0.2680000066757202
ASN HXT H 0 N Y -3.253999948501587 -1.5080000162124634 -0.4410000145435333
ASP N N 0 N N -0.31700000166893005 1.687999963760376 0.06599999964237213
ASP CA C 0 N N -0.4699999988079071 0.28600001335144043 -0.3440000116825104
ASP C C 0 N N -1.8680000305175781 -0.18000000715255737 -0.028999999165534973
ASP O O 0 N N -2.5339999198913574 0.41499999165534973 0.7860000133514404
ASP CB C 0 N N 0.5389999747276306 -0.5799999833106995 0.4129999876022339
ASP CG C 0 N N 1.937999963760376 -0.19499999284744263 0.004000000189989805
ASP OD1 O 0 N N 2.1089999675750732 0.6809999942779541 -0.8100000023841858
ASP OD2 O 0 N N 2.992000102996826 -0.8259999752044678 0.5429999828338623
ASP OXT O 0 N Y -2.374000072479248 -1.25600004196167 -0.6520000100135803
ASP H H 0 N N -0.9279999732971191 2.2890000343322754 -0.46700000762939453
ASP H2 H 0 N Y -0.4779999852180481 1.7949999570846558 1.055999994277954
ASP HA H 0 N N -0.2919999957084656 0.19900000095367432 -1.4160000085830688
ASP HB2 H 0 N N 0.4189999997615814 -0.42500001192092896 1.4850000143051147
ASP HB3 H 0 N N 0.367000013589859 -1.6299999952316284 0.17599999904632568
ASP HD2 H 0 N N 3.86899995803833 -0.5450000166893005 0.25
ASP HXT H 0 N Y -3.2750000953674316 -1.5169999599456787 -0.41600000858306885
GLN N N 0 N N 1.8580000400543213 -0.14800000190734863 1.125
GLN CA C 0 N N 0.5170000195503235 0.45100000500679016 1.1119999885559082
GLN C C 0 N N -0.23600000143051147 0.02199999988079071 2.3440001010894775
GLN O O 0 N N -0.004999999888241291 -1.0490000247955322 2.8510000705718994
GLN CB C 0 N N -0.23600000143051147 -0.013000000268220901 -0.13500000536441803
GLN CG C 0 N N 0.5289999842643738 0.42100000381469727 -1.3849999904632568
GLN CD C 0 N N -0.21299999952316284 -0.035999998450279236 -2.614000082015991
GLN OE1 O 0 N N -1.2519999742507935 -0.6499999761581421 -2.5
GLN NE2 N 0 N N 0.2770000100135803 0.23600000143051147 -3.8389999866485596
GLN OXT O 0 N Y -1.1649999618530273 0.8309999704360962 2.878000020980835
GLN H H 0 N N 1.7289999723434448 -1.1480000019073486 1.1369999647140503
GLN H2 H 0 N Y 2.2860000133514404 0.07800000160932541 0.23999999463558197
GLN HA H 0 N N 0.6050000190734863 1.5369999408721924 1.0989999771118164
GLN HB2 H 0 N N -0.3240000009536743 -1.100000023841858 -0.12200000137090683
GLN HB3 H 0 N N -1.2309999465942383 0.4309999942779541 -0.14399999380111694
GLN HG2 H 0 N N 0.6169999837875366 1.5080000162124634 -1.3980000019073486
GLN HG3 H 0 N N 1.5240000486373901 -0.023000000044703484 -1.375
GLN HE21 H 0 N N -0.20000000298023224 -0.057999998331069946 -4.630000114440918
GLN HE22 H 0 N N 1.1089999675750732 0.7269999980926514 -3.930000066757202
GLN HXT H 0 N Y -1.6490000486373901 0.5559999942779541 3.6689999103546143
GLU N N 0 N N 1.1990000009536743 1.8669999837875366 -0.11699999868869781
GLU CA C 0 N N 1.1380000114440918 0.5149999856948853 0.453000009059906
GLU C C 0 N N 2.364000082015991 -0.25999999046325684 0.04100000113248825
GLU O O 0 N N 3.009999990463257 0.09600000083446503 -0.9160000085830688
GLU CB C 0 N N -0.11299999803304672 -0.20000000298023224 -0.06199999898672104
GLU CG C 0 N N -1.3600000143051147 0.5170000195503235 0.460999995470047
GLU CD C 0 N N -2.5929999351501465 -0.18700000643730164 -0.04600000008940697
GLU OE1 O 0 N N -2.484999895095825 -1.1610000133514404 -0.753000020980835
GLU OE2 O 0 N N -3.811000108718872 0.26899999380111694 0.28700000047683716
GLU OXT O 0 N Y 2.736999988555908 -1.3450000286102295 0.7369999885559082
GLU H H 0 N N 1.2369999885559082 1.8339999914169312 -1.125
GLU H2 H 0 N Y 0.42100000381469727 2.427000045776367 0.19699999690055847
GLU HA H 0 N N 1.0980000495910645 0.5799999833106995 1.5399999618530273
GLU HB2 H 0 N N -0.11699999868869781 -0.18700000643730164 -1.1519999504089355
GLU HB3 H 0 N N -0.11299999803304672 -1.2309999465942383 0.289000004529953
GLU HG2 H 0 N N -1.3569999933242798 0.5040000081062317 1.5509999990463257
GLU HG3 H 0 N N -1.3600000143051147 1.5479999780654907 0.10899999737739563
GLU HE2 H 0 N N -4.571000099182129 -0.2150000035762787 -0.06199999898672104
GLU HXT H 0 N Y 3.5299999713897705 -1.809000015258789 0.4350000023841858
GLY N N 0 N N 1.930999994277954 0.09000000357627869 -0.03400000184774399
GLY CA C 0 N N 0.7609999775886536 -0.7990000247955322 -0.00800000037997961
GLY C C 0 N N -0.49799999594688416 0.028999999165534973 -0.004999999888241291
GLY O O 0 N N -0.42899999022483826 1.2350000143051147 -0.023000000044703484
GLY OXT O 0 N Y -1.6970000267028809 -0.5740000009536743 0.017999999225139618
GLY H H 0 N N 1.909999966621399 0.7379999756813049 0.7379999756813049
GLY H2 H 0 N Y 2.7880001068115234 -0.44200000166893005 -0.03700000047683716
GLY HA2 H 0 N N 0.7720000147819519 -1.440000057220459 -0.8889999985694885
GLY HA3 H 0 N N 0.7929999828338623 -1.4149999618530273 0.890999972820282
GLY HXT H 0 N Y -2.4769999980926514 -0.0020000000949949026 0.01899999938905239
HIS N N 0 N N -0.03999999910593033 -1.2100000381469727 0.05299999937415123
HIS CA C 0 N N 1.1720000505447388 -1.7089999914169312 0.6520000100135803
HIS C C 0 N N 1.0829999446868896 -3.2070000171661377 0.9049999713897705
HIS O O 0 N N 0.03999999910593033 -3.7699999809265137 1.222000002861023
HIS CB C 0 N N 1.4839999675750732 -0.9750000238418579 1.9620000123977661
HIS CG C 0 Y N 2.940000057220459 -1.059999942779541 2.3529999256134033
HIS ND1 N 1 Y N 3.380000114440918 -2.075000047683716 3.128999948501587
HIS CD2 C 0 Y N 3.9600000381469727 -0.25099998712539673 2.0460000038146973
HIS CE1 C 0 Y N 4.692999839782715 -1.9079999923706055 3.316999912261963
HIS NE2 N 0 Y N 5.058000087738037 -0.8009999990463257 2.6619999408721924
HIS OXT O 0 N Y 2.246999979019165 -3.881999969482422 0.7440000176429749
HIS H H 0 N N -0.10199999809265137 -1.1549999713897705 -0.949999988079071
HIS H2 H 0 N Y -0.7149999737739563 -0.7409999966621399 0.6340000033378601
HIS HA H 0 N N 1.965000033378601 -1.5579999685287476 -0.08900000154972076
HIS HB2 H 0 N N 1.215000033378601 0.08699999749660492 1.878999948501587
HIS HB3 H 0 N N 0.859000027179718 -1.3680000305175781 2.7750000953674316
HIS HD1 H 0 N N 2.828000068664551 -2.8380000591278076 3.510999917984009
HIS HD2 H 0 N N 4.107999801635742 0.6470000147819519 1.4789999723434448
HIS HE1 H 0 N N 5.340000152587891 -2.549999952316284 3.8919999599456787
HIS HE2 H 0 N N 6.001999855041504 -0.42800000309944153 2.627000093460083
HIS HXT H 0 N Y 2.187999963760376 -4.8480000495910645 0.9010000228881836
ILE N N 0 N N -1.944000005722046 0.33500000834465027 -0.34299999475479126
ILE CA C 0 N N -0.4869999885559082 0.5189999938011169 -0.36899998784065247
ILE C C 0 N N 0.06599999964237213 -0.03200000151991844 -1.656999945640564
ILE O O 0 N N -0.48399999737739563 -0.9580000042915344 -2.203000068664551
ILE CB C 0 N N 0.14000000059604645 -0.21899999678134918 0.8140000104904175
ILE CG1 C 0 N N -0.42100000381469727 0.3409999907016754 2.121999979019165
ILE CG2 C 0 N N 1.6579999923706055 -0.027000000700354576 0.7879999876022339
ILE CD1 C 0 N N 0.20600000023841858 -0.3970000147819519 3.305000066757202
ILE OXT O 0 N Y 1.1710000038146973 0.5040000081062317 -2.197000026702881
ILE H H 0 N N -2.111999988555908 -0.656000018119812 -0.4099999964237213
ILE H2 H 0 N Y -2.25600004196167 0.621999979019165 0.5720000267028809
ILE HA H 0 N N -0.2529999911785126 1.5820000171661377 -0.29899999499320984
ILE HB H 0 N N -0.09200000017881393 -1.281000018119812 0.7440000176429749
ILE HG12 H 0 N N -1.5019999742507935 0.20399999618530273 2.1410000324249268
ILE HG13 H 0 N N -0.18799999356269836 1.402999997138977 2.191999912261963
ILE HG21 H 0 N N 1.8910000324249268 1.034000039100647 0.8569999933242798
ILE HG22 H 0 N N 2.1050000190734863 -0.5540000200271606 1.63100004196167
ILE HG23 H 0 N N 2.059000015258789 -0.4269999861717224 -0.14300000667572021
ILE HD11 H 0 N N -0.19300000369548798 0.0010000000474974513 4.236999988555908
ILE HD12 H 0 N N -0.026000000536441803 -1.4600000381469727 3.234999895095825
ILE HD13 H 0 N N 1.2869999408721924 -0.26100000739097595 3.2860000133514404
ILE HXT H 0 N Y 1.5269999504089355 0.15000000596046448 -3.0239999294281006
LEU N N 0 N N -1.6610000133514404 0.6269999742507935 -0.4059999883174896
LEU CA C 0 N N -0.20499999821186066 0.4410000145435333 -0.46700000762939453
LEU C C 0 N N 0.18000000715255737 -0.054999999701976776 -1.8359999656677246
LEU O O 0 N N -0.5910000205039978 -0.7310000061988831 -2.4739999771118164
LEU CB C 0 N N 0.22100000083446503 -0.5830000042915344 0.5849999785423279
LEU CG C 0 N N -0.17000000178813934 -0.07900000363588333 1.9759999513626099
LEU CD1 C 0 N N 0.25600001215934753 -1.1039999723434448 3.0290000438690186
LEU CD2 C 0 N N 0.5260000228881836 1.253999948501587 2.25
LEU OXT O 0 N Y 1.3819999694824219 0.2540000081062317 -2.3480000495910645
LEU H H 0 N N -2.0769999027252197 -0.2720000147819519 -0.5920000076293945
LEU H2 H 0 N Y -1.8839999437332153 0.8579999804496765 0.550000011920929
LEU HA H 0 N N 0.29100000858306885 1.3910000324249268 -0.2709999978542328
LEU HB2 H 0 N N 1.3009999990463257 -0.722000002861023 0.5400000214576721
LEU HB3 H 0 N N -0.2750000059604645 -1.534000039100647 0.38999998569488525
LEU HG H 0 N N -1.25 0.057999998331069946 2.0209999084472656
LEU HD11 H 0 N N -0.02199999988079071 -0.7450000047683716 4.019000053405762
LEU HD12 H 0 N N -0.23999999463558197 -2.055000066757202 2.8329999446868896
LEU HD13 H 0 N N 1.3359999656677246 -1.2430000305175781 2.9839999675750732
LEU HD21 H 0 N N 1.6059999465942383 1.1150000095367432 2.2049999237060547
LEU HD22 H 0 N N 0.22200000286102295 1.9839999675750732 1.5
LEU HD23 H 0 N N 0.24699999392032623 1.6130000352859497 3.240999937057495
LEU HXT H 0 N Y 1.6299999952316284 -0.06400000303983688 -3.2260000705718994
LYS N N 0 N N 1.4220000505447388 1.7960000038146973 0.1979999989271164
LYS CA C 0 N N 1.3940000534057617 0.35499998927116394 0.48399999737739563
LYS C C 0 N N 2.6570000648498535 -0.2840000092983246 -0.03200000151991844
LYS O O 0 N N 3.315999984741211 0.2750000059604645 -0.8759999871253967
LYS CB C 0 N N 0.18400000035762787 -0.27799999713897705 -0.20600000023841858
LYS CG C 0 N N -1.1019999980926514 0.28200000524520874 0.40700000524520874
LYS CD C 0 N N -2.312999963760376 -0.35100001096725464 -0.28299999237060547
LYS CE C 0 N N -3.5980000495910645 0.20800000429153442 0.32899999618530273
LYS NZ N 1 N N -4.761000156402588 -0.4000000059604645 -0.3319999873638153
LYS OXT O 0 N Y 3.049999952316284 -1.4759999513626099 0.44600000977516174
LYS H H 0 N N 1.4889999628067017 1.8910000324249268 -0.8040000200271606
LYS H2 H 0 N Y 0.5210000276565552 2.1619999408721924 0.46399998664855957
LYS HA H 0 N N 1.3220000267028809 0.20000000298023224 1.559999942779541
LYS HB2 H 0 N N 0.20999999344348907 -0.04699999839067459 -1.2699999809265137
LYS HB3 H 0 N N 0.210999995470047 -1.3589999675750732 -0.06800000369548798
LYS HG2 H 0 N N -1.128000020980835 0.05000000074505806 1.4709999561309814
LYS HG3 H 0 N N -1.1299999952316284 1.3630000352859497 0.26899999380111694
LYS HD2 H 0 N N -2.2869999408721924 -0.11999999731779099 -1.3480000495910645
LYS HD3 H 0 N N -2.2850000858306885 -1.4320000410079956 -0.14499999582767487
LYS HE2 H 0 N N -3.625 -0.023000000044703484 1.3940000534057617
LYS HE3 H 0 N N -3.625999927520752 1.2890000343322754 0.19200000166893005
LYS HZ1 H 0 N N -4.736000061035156 -0.1850000023841858 -1.3179999589920044
LYS HZ2 H 0 N N -4.735000133514404 -1.399999976158142 -0.20499999821186066
LYS HZ3 H 0 N N -5.609000205993652 -0.03099999949336052 0.07100000232458115
LYS HXT H 0 N Y 3.8610000610351562 -1.8860000371932983 0.11500000208616257
MET N N 0 N N -1.815999984741211 0.1420000046491623 -1.1660000085830688
MET CA C 0 N N -0.3919999897480011 0.49900001287460327 -1.2139999866485596
MET C C 0 N N 0.20600000023841858 0.0020000000949949026 -2.503999948501587
MET O O 0 N N -0.23600000143051147 -0.9890000224113464 -3.0329999923706055
MET CB C 0 N N 0.33399999141693115 -0.14499999582767487 -0.03200000151991844
MET CG C 0 N N -0.27300000190734863 0.35899999737739563 1.2769999504089355
MET SD S 0 N N 0.5889999866485596 -0.4050000011920929 2.677999973297119
MET CE C 0 N N -0.3140000104904175 0.3529999852180481 4.056000232696533
MET OXT O 0 N Y 1.2319999933242798 0.6610000133514404 -3.065999984741211
MET H H 0 N N -1.8650000095367432 -0.8640000224113464 -1.2200000286102295
MET H2 H 0 N Y -2.1489999294281006 0.39899998903274536 -0.24799999594688416
MET HA H 0 N N -0.28700000047683716 1.5820000171661377 -1.1579999923706055
MET HB2 H 0 N N 1.3910000324249268 0.11900000274181366 -0.06800000369548798
MET HB3 H 0 N N 0.2290000021457672 -1.2289999723434448 -0.08799999952316284
MET HG2 H 0 N N -1.3300000429153442 0.09399999678134918 1.312999963760376
MET HG3 H 0 N N -0.1679999977350235 1.4420000314712524 1.3329999446868896
MET HE1 H 0 N N 0.09000000357627869 -0.009999999776482582 5.0
MET HE2 H 0 N N -0.2070000022649765 1.4359999895095825 4.007999897003174
MET HE3 H 0 N N -1.36899995803833 0.08799999952316284 3.98799991607666
MET HXT H 0 N Y 1.6160000562667847 0.34200000762939453 -3.8940000534057617
PHE N N 0 N N 1.3170000314712524 0.9620000123977661 1.0140000581741333
PHE CA C 0 N N -0.019999999552965164 0.4259999990463257 1.2999999523162842
PHE C C 0 N N -0.10899999737739563 0.04699999839067459 2.75600004196167
PHE O O 0 N N 0.8790000081062317 -0.31700000166893005 3.3459999561309814
PHE CB C 0 N N -0.27000001072883606 -0.8090000152587891 0.4339999854564667
PHE CG C 0 Y N -0.1809999942779541 -0.4300000071525574 -1.0199999809265137
PHE CD1 C 0 Y N 1.031000018119812 -0.49799999594688416 -1.6799999475479126
PHE CD2 C 0 Y N -1.3140000104904175 -0.017999999225139618 -1.6979999542236328
PHE CE1 C 0 Y N 1.1119999885559082 -0.15000000596046448 -3.015000104904175
PHE CE2 C 0 Y N -1.2309999465942383 0.3330000042915344 -3.0320000648498535
PHE CZ C 0 Y N -0.017999999225139618 0.26499998569488525 -3.690999984741211
PHE OXT O 0 N Y -1.2860000133514404 0.11299999803304672 3.3959999084472656
PHE H H 0 N N 1.975000023841858 0.23000000417232513 1.2350000143051147
PHE H2 H 0 N Y 1.3650000095367432 1.1039999723434448 0.017000000923871994
PHE HA H 0 N N -0.7699999809265137 1.184000015258789 1.0759999752044678
PHE HB2 H 0 N N 0.47999998927116394 -1.5679999589920044 0.6589999794960022
PHE HB3 H 0 N N -1.2619999647140503 -1.2070000171661377 0.6460000276565552
PHE HD1 H 0 N N 1.9149999618530273 -0.8240000009536743 -1.1519999504089355
PHE HD2 H 0 N N -2.26200008392334 0.03400000184774399 -1.1829999685287476
PHE HE1 H 0 N N 2.059999942779541 -0.2029999941587448 -3.5299999713897705
PHE HE2 H 0 N N -2.115999937057495 0.6589999794960022 -3.559999942779541
PHE HZ H 0 N N 0.04500000178813934 0.5379999876022339 -4.734000205993652
PHE HXT H 0 N Y -1.343000054359436 -0.12999999523162842 4.329999923706055
SER N N 0 N N 1.524999976158142 0.49300000071525574 -0.6079999804496765
SER CA C 0 N N 0.10000000149011612 0.4690000116825104 -0.25200000405311584
SER C C 0 N N -0.05299999937415123 0.004000000189989805 1.1729999780654907
SER O O 0 N N 0.7509999871253967 -0.7599999904632568 1.6490000486373901
SER CB C 0 N N -0.6420000195503235 -0.48899999260902405 -1.184000015258789
SER OG O 0 N N -0.4959999918937683 -0.04899999871850014 -2.5350000858306885
SER OXT O 0 N Y -1.0839999914169312 0.4399999976158142 1.9129999876022339
SER H H 0 N N 1.8669999837875366 -0.4490000009536743 -0.49900001287460327
SER H2 H 0 N Y 1.5740000009536743 0.7070000171661377 -1.593000054359436
SER HA H 0 N N -0.3160000145435333 1.4709999561309814 -0.3540000021457672
SER HB2 H 0 N N -0.22499999403953552 -1.4910000562667847 -1.0809999704360962
SER HB3 H 0 N N -1.6990000009536743 -0.5070000290870667 -0.9200000166893005
SER HG H 0 N N -0.9779999852180481 -0.6790000200271606 -3.0880000591278076
SER HXT H 0 N Y -1.1829999685287476 0.1420000046491623 2.828000068664551
THR N N 0 N N 1.5429999828338623 -0.7020000219345093 0.4300000071525574
THR CA C 0 N N 0.12200000137090683 -0.7059999704360962 0.0560000017285347
THR C C 0 N N -0.03799999877810478 -0.09000000357627869 -1.309000015258789
THR O O 0 N N 0.7319999933242798 0.7609999775886536 -1.6829999685287476
THR CB C 0 N N -0.675000011920929 0.10400000214576721 1.0789999961853027
THR OG1 O 0 N N -0.19300000369548798 1.4479999542236328 1.1030000448226929
THR CG2 C 0 N N -0.5109999775886536 -0.5210000276565552 2.4660000801086426
THR OXT O 0 N Y -1.0390000343322754 -0.4880000054836273 -2.109999895095825
THR H H 0 N N 1.8389999866485596 0.26100000739097595 0.4339999854564667
THR H2 H 0 N Y 1.593000054359436 -1.024999976158142 1.3849999904632568
THR HA H 0 N N -0.24500000476837158 -1.7319999933242798 0.03799999877810478
THR HB H 0 N N -1.7289999723434448 0.10100000351667404 0.8019999861717224
THR HG1 H 0 N N 0.7400000095367432 1.406000018119812 1.3519999980926514
THR HG21 H 0 N N -1.0800000429153442 0.0560000017285347 3.194000005722046
THR HG22 H 0 N N -0.8790000081062317 -1.5470000505447388 2.447999954223633
THR HG23 H 0 N N 0.5419999957084656 -0.5180000066757202 2.743000030517578
THR HXT H 0 N Y -1.1430000066757202 -0.09200000017881393 -2.9860000610351562
TYR N N 0 N N 1.3200000524520874 0.9520000219345093 1.4279999732971191
TYR CA C 0 N N -0.017999999225139618 0.42899999022483826 1.7339999675750732
TYR C C 0 N N -0.10300000011920929 0.09399999678134918 3.2009999752044678
TYR O O 0 N N 0.8859999775886536 -0.2540000081062317 3.7990000247955322
TYR CB C 0 N N -0.27399998903274536 -0.8309999704360962 0.9070000052452087
TYR CG C 0 Y N -0.1889999955892563 -0.4959999918937683 -0.5590000152587891
TYR CD1 C 0 Y N 1.0219999551773071 -0.5889999866485596 -1.218999981880188
TYR CD2 C 0 Y N -1.3240000009536743 -0.10199999809265137 -1.24399995803833
TYR CE1 C 0 Y N 1.1030000448226929 -0.28200000524520874 -2.562999963760376
TYR CE2 C 0 Y N -1.246999979019165 0.20999999344348907 -2.5869998931884766
TYR CZ C 0 Y N -0.03200000151991844 0.11800000071525574 -3.252000093460083
TYR OH O 0 N N 0.04399999976158142 0.41999998688697815 -4.573999881744385
TYR OXT O 0 N Y -1.2790000438690186 0.18400000035762787 3.8420000076293945
TYR H H 0 N N 1.9769999980926514 0.22499999403953552 1.6690000295639038
TYR H2 H 0 N Y 1.3650000095367432 1.062999963760376 0.4259999990463257
TYR HA H 0 N N -0.7670000195503235 1.1829999685287476 1.4889999628067017
TYR HB2 H 0 N N 0.4729999899864197 -1.5850000381469727 1.1519999504089355
TYR HB3 H 0 N N -1.2680000066757202 -1.218999981880188 1.1339999437332153
TYR HD1 H 0 N N 1.9049999713897705 -0.9020000100135803 -0.6830000281333923
TYR HD2 H 0 N N -2.2690000534057617 -0.03099999949336052 -0.7269999980926514
TYR HE1 H 0 N N 2.0490000247955322 -0.3540000021457672 -3.078000068664551
TYR HE2 H 0 N N -2.131999969482422 0.5230000019073486 -3.121000051498413
TYR HH H 0 N N -0.12300000339746475 -0.39899998903274536 -5.059000015258789
TYR HXT H 0 N Y -1.3329999446868896 -0.029999999329447746 4.783999919891357
VAL N N 0 N N 1.5640000104904175 -0.6420000195503235 0.45399999618530273
VAL CA C 0 N N 0.14499999582767487 -0.6980000138282776 0.07900000363588333
VAL C C 0 N N -0.03700000047683716 -0.09300000220537186 -1.2879999876022339
VAL O O 0 N N 0.703000009059906 0.7839999794960022 -1.6640000343322754
VAL CB C 0 N N -0.6819999814033508 0.0860000029206276 1.0980000495910645
VAL CG1 C 0 N N -0.4970000088214874 -0.527999997138977 2.486999988555908
VAL CG2 C 0 N N -0.21799999475479126 1.5429999828338623 1.11899995803833
VAL OXT O 0 N Y -1.0219999551773071 -0.5289999842643738 -2.0889999866485596
VAL H H 0 N N 1.8250000476837158 0.3319999873638153 0.45500001311302185
VAL H2 H 0 N Y 1.6239999532699585 -0.9589999914169312 1.409999966621399
VAL HA H 0 N N -0.1860000044107437 -1.7359999418258667 0.06400000303983688
VAL HB H 0 N N -1.7359999418258667 0.04399999976158142 0.8199999928474426
VAL HG11 H 0 N N -1.0870000123977661 0.03099999949336052 3.2139999866485596
VAL HG12 H 0 N N -0.828000009059906 -1.565999984741211 2.4719998836517334
VAL HG13 H 0 N N 0.5550000071525574 -0.4860000014305115 2.765000104904175
VAL HG21 H 0 N N 0.8349999785423279 1.5850000381469727 1.3969999551773071
VAL HG22 H 0 N N -0.3499999940395355 1.9809999465942383 0.12999999523162842
VAL HG23 H 0 N N -0.8080000281333923 2.1029999256134033 1.8450000286102295
VAL HXT H 0 N Y -1.1390000581741333 -0.14000000059604645 -2.9670000076293945
#
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