NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype |
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655045 |
6lr2   |
cing | 1-original | 2 | AMBER | stereochemistry | chirality |
# Restraints file 2: RST.disang # # chirality for residue 1 atoms: N C HA2 HA3 &rst iat=1,8,6,7, r1=10., r2=60., r3=80., r4=130., rk2 = 250., rk3 = 250., &end # # chirality for residue 2 atoms: CA OG HB2 HB3 &rst iat=12,17,15,16, &end # # chirality for residue 2 atoms: N C HA CB &rst iat=10,19,13,14, &end # # chirality for residue 3 atoms: CA OG HB2 HB3 &rst iat=23,28,26,27, &end # # chirality for residue 3 atoms: N C HA CB &rst iat=21,30,24,25, &end # # chirality for residue 4 atoms: N C HA2 HA3 &rst iat=32,37,35,36, &end # # chirality for residue 5 atoms: CA OG HB2 HB3 &rst iat=41,46,44,45, &end # # chirality for residue 5 atoms: N C HA CB &rst iat=39,48,42,43, &end # # chirality for residue 6 atoms: CA OG HB2 HB3 &rst iat=52,57,55,56, &end # # chirality for residue 6 atoms: N C HA CB &rst iat=50,59,53,54, &end # # chirality for residue 7 atoms: N C HA2 HA3 &rst iat=61,66,64,65, &end # # chirality for residue 8 atoms: CA CG1 CG2 HB &rst iat=70,74,78,73, &end # # chirality for residue 8 atoms: N C HA CB &rst iat=68,82,71,72, &end # # chirality for residue 9 atoms: CA CG HB2 HB3 &rst iat=86,91,89,90, &end # # chirality for residue 9 atoms: CB CD HG2 HG3 &rst iat=88,94,92,93, &end # # chirality for residue 9 atoms: CG NE HD2 HD3 &rst iat=91,97,95,96, &end # # chirality for residue 9 atoms: N C HA CB &rst iat=84,106,87,88, &end # # chirality for residue 10 atoms: CA CG HB2 HB3 &rst iat=110,115,113,114, &end # # chirality for residue 10 atoms: N C HA CB &rst iat=108,127,111,112, &end # # chirality for residue 11 atoms: CA CG HB2 HB3 &rst iat=131,136,134,135, &end # # chirality for residue 11 atoms: N C HA CB &rst iat=129,147,132,133, &end # # chirality for residue 12 atoms: CA CG2 CG1 HB &rst iat=151,155,159,154, &end # # chirality for residue 12 atoms: CB CD1 HG12 HG13 &rst iat=153,162,160,161, &end # # chirality for residue 12 atoms: N C HA CB &rst iat=149,166,152,153, &end # # chirality for residue 13 atoms: CA CG HB2 HB3 &rst iat=170,175,173,174, &end # # chirality for residue 13 atoms: CB SD HG2 HG3 &rst iat=172,178,176,177, &end # # chirality for residue 13 atoms: N C HA CB &rst iat=168,183,171,172, &end # # chirality for residue 14 atoms: CA CG HB2 HB3 &rst iat=187,192,190,191, &end # # chirality for residue 14 atoms: CB CD HG2 HG3 &rst iat=189,195,193,194, &end # # chirality for residue 14 atoms: CD NZ HE2 HE3 &rst iat=195,201,199,200, &end # # chirality for residue 14 atoms: CG CE HD2 HD3 &rst iat=192,198,196,197, &end # # chirality for residue 14 atoms: N C HA CB &rst iat=185,205,188,189, &end # # chirality for residue 15 atoms: CA OG HB2 HB3 &rst iat=209,214,212,213, &end # # chirality for residue 15 atoms: N C HA CB &rst iat=207,216,210,211, &end # # chirality for residue 16 atoms: CA OG HB2 HB3 &rst iat=220,225,223,224, &end # # chirality for residue 16 atoms: N C HA CB &rst iat=218,227,221,222, &end # # chirality for residue 17 atoms: CA CG HB2 HB3 &rst iat=231,236,234,235, &end # # chirality for residue 17 atoms: N C HA CB &rst iat=229,241,232,233, &end # # chirality for residue 18 atoms: CA CG HB2 HB3 &rst iat=245,250,248,249, &end # # chirality for residue 18 atoms: CB CD1 CD2 HG &rst iat=247,252,256,251, &end # # chirality for residue 18 atoms: N C HA CB &rst iat=243,260,246,247, &end # # chirality for residue 19 atoms: CA CG HB2 HB3 &rst iat=264,269,267,268, &end # # chirality for residue 19 atoms: CB CD HG2 HG3 &rst iat=266,272,270,271, &end # # chirality for residue 19 atoms: CG NE HD2 HD3 &rst iat=269,275,273,274, &end # # chirality for residue 19 atoms: N C HA CB &rst iat=262,284,265,266, &end # # chirality for residue 20 atoms: CA CG HB2 HB3 &rst iat=288,293,291,292, &end # # chirality for residue 20 atoms: N C HA CB &rst iat=286,298,289,290, &end # # chirality for residue 21 atoms: CA CG HB2 HB3 &rst iat=302,307,305,306, &end # # chirality for residue 21 atoms: CB CD1 CD2 HG &rst iat=304,309,313,308, &end # # chirality for residue 21 atoms: N C HA CB &rst iat=300,317,303,304, &end # # chirality for residue 22 atoms: CA CG HB2 HB3 &rst iat=321,326,324,325, &end # # chirality for residue 22 atoms: CB CD HG2 HG3 &rst iat=323,329,327,328, &end # # chirality for residue 22 atoms: N C HA CB &rst iat=319,332,322,323, &end # # chirality for residue 23 atoms: CA CG2 CG1 HB &rst iat=336,340,344,339, &end # # chirality for residue 23 atoms: CB CD1 HG12 HG13 &rst iat=338,347,345,346, &end # # chirality for residue 23 atoms: N C HA CB &rst iat=334,351,337,338, &end # # chirality for residue 24 atoms: CA OG HB2 HB3 &rst iat=355,360,358,359, &end # # chirality for residue 24 atoms: N C HA CB &rst iat=353,362,356,357, &end # # chirality for residue 25 atoms: CA CG HB2 HB3 &rst iat=366,371,369,370, &end # # chirality for residue 25 atoms: CB CD HG2 HG3 &rst iat=368,374,372,373, &end # # chirality for residue 25 atoms: N C HA CB &rst iat=364,379,367,368, &end # # chirality for residue 26 atoms: CA CG HB2 HB3 &rst iat=383,388,386,387, &end # # chirality for residue 26 atoms: CB CD HG2 HG3 &rst iat=385,391,389,390, &end # # chirality for residue 26 atoms: N C HA CB &rst iat=381,396,384,385, &end # # chirality for residue 27 atoms: CA CG HB2 HB3 &rst iat=400,405,403,404, &end # # chirality for residue 27 atoms: CB CD HG2 HG3 &rst iat=402,408,406,407, &end # # chirality for residue 27 atoms: CD NZ HE2 HE3 &rst iat=408,414,412,413, &end # # chirality for residue 27 atoms: CG CE HD2 HD3 &rst iat=405,411,409,410, &end # # chirality for residue 27 atoms: N C HA CB &rst iat=398,418,401,402, &end # # chirality for residue 28 atoms: N C HA2 HA3 &rst iat=420,425,423,424, &end # # chirality for residue 29 atoms: CA CG2 CG1 HB &rst iat=429,433,437,432, &end # # chirality for residue 29 atoms: CB CD1 HG12 HG13 &rst iat=431,440,438,439, &end # # chirality for residue 29 atoms: N C HA CB &rst iat=427,444,430,431, &end # # chirality for residue 30 atoms: CA CG HB2 HB3 &rst iat=448,453,451,452, &end # # chirality for residue 30 atoms: N C HA CB &rst iat=446,468,449,450, &end # # chirality for residue 31 atoms: CA OG HB2 HB3 &rst iat=472,477,475,476, &end # # chirality for residue 31 atoms: N C HA CB &rst iat=470,479,473,474, &end # # chirality for residue 32 atoms: CA CG2 OG1 HB &rst iat=483,487,491,486, &end # # chirality for residue 32 atoms: N C HA CB &rst iat=481,493,484,485, &end # # chirality for residue 33 atoms: CA CG2 OG1 HB &rst iat=497,501,505,500, &end # # chirality for residue 33 atoms: N C HA CB &rst iat=495,507,498,499, &end # # chirality for residue 34 atoms: CA CG HB2 HB3 &rst iat=519,513,517,518, &end # # chirality for residue 34 atoms: CB CD HG2 HG3 &rst iat=516,510,514,515, &end # # chirality for residue 34 atoms: CG N HD2 HD3 &rst iat=513,509,511,512, &end # # chirality for residue 34 atoms: N C HA CB &rst iat=509,521,520,516, &end # # chirality for residue 35 atoms: CA OG HB2 HB3 &rst iat=525,530,528,529, &end # # chirality for residue 35 atoms: N C HA CB &rst iat=523,532,526,527, &end # # chirality for residue 36 atoms: CA CG HB2 HB3 &rst iat=536,541,539,540, &end # # chirality for residue 36 atoms: N C HA CB &rst iat=534,546,537,538, &end # # chirality for residue 37 atoms: CA CG HB2 HB3 &rst iat=550,555,553,554, &end # # chirality for residue 37 atoms: CB CD HG2 HG3 &rst iat=552,558,556,557, &end # # chirality for residue 37 atoms: N C HA CB &rst iat=548,561,551,552, &end # # chirality for residue 38 atoms: CA CG HB2 HB3 &rst iat=565,570,568,569, &end # # chirality for residue 38 atoms: CB CD HG2 HG3 &rst iat=567,573,571,572, &end # # chirality for residue 38 atoms: CG NE HD2 HD3 &rst iat=570,576,574,575, &end # # chirality for residue 38 atoms: N C HA CB &rst iat=563,585,566,567, &end # # chirality for residue 39 atoms: CA CG HB2 HB3 &rst iat=589,594,592,593, &end # # chirality for residue 39 atoms: CB CD HG2 HG3 &rst iat=591,597,595,596, &end # # chirality for residue 39 atoms: CD NZ HE2 HE3 &rst iat=597,603,601,602, &end # # chirality for residue 39 atoms: CG CE HD2 HD3 &rst iat=594,600,598,599, &end # # chirality for residue 39 atoms: N C HA CB &rst iat=587,607,590,591, &end # # chirality for residue 40 atoms: CA CG HB2 HB3 &rst iat=611,616,614,615, &end # # chirality for residue 40 atoms: CB CD1 CD2 HG &rst iat=613,618,622,617, &end # # chirality for residue 40 atoms: N C HA CB &rst iat=609,626,612,613, &end # # chirality for residue 41 atoms: CA CG HB2 HB3 &rst iat=630,635,633,634, &end # # chirality for residue 41 atoms: N C HA CB &rst iat=628,640,631,632, &end # # chirality for residue 42 atoms: CA CG HB2 HB3 &rst iat=644,649,647,648, &end # # chirality for residue 42 atoms: CB CD HG2 HG3 &rst iat=646,652,650,651, &end # # chirality for residue 42 atoms: CG NE HD2 HD3 &rst iat=649,655,653,654, &end # # chirality for residue 42 atoms: N C HA CB &rst iat=642,664,645,646, &end # # chirality for residue 43 atoms: N C HA CB &rst iat=666,674,669,670, &end # # chirality for residue 44 atoms: CA CG HB2 HB3 &rst iat=678,683,681,682, &end # # chirality for residue 44 atoms: N C HA CB &rst iat=676,694,679,680, &end # # chirality for residue 45 atoms: CA CG HB2 HB3 &rst iat=698,703,701,702, &end # # chirality for residue 45 atoms: N C HA CB &rst iat=696,718,699,700, &end # # chirality for residue 46 atoms: CA CG HB2 HB3 &rst iat=722,727,725,726, &end # # chirality for residue 46 atoms: CB CD HG2 HG3 &rst iat=724,730,728,729, &end # # chirality for residue 46 atoms: N C HA CB &rst iat=720,733,723,724, &end # # chirality for residue 47 atoms: CA OG HB2 HB3 &rst iat=737,742,740,741, &end # # chirality for residue 47 atoms: N C HA CB &rst iat=735,744,738,739, &end # # chirality for residue 48 atoms: CA OG HB2 HB3 &rst iat=748,753,751,752, &end # # chirality for residue 48 atoms: N C HA CB &rst iat=746,755,749,750, &end # # chirality for residue 49 atoms: CA CG2 CG1 HB &rst iat=759,763,767,762, &end # # chirality for residue 49 atoms: CB CD1 HG12 HG13 &rst iat=761,770,768,769, &end # # chirality for residue 49 atoms: N C HA CB &rst iat=757,774,760,761, &end # # chirality for residue 50 atoms: CA CG1 CG2 HB &rst iat=778,782,786,781, &end # # chirality for residue 50 atoms: N C HA CB &rst iat=776,790,779,780, &end # # chirality for residue 51 atoms: CA CG HB2 HB3 &rst iat=794,799,797,798, &end # # chirality for residue 51 atoms: N C HA CB &rst iat=792,811,795,796, &end # # chirality for residue 52 atoms: CA CG HB2 HB3 &rst iat=815,820,818,819, &end # # chirality for residue 52 atoms: CB CD1 CD2 HG &rst iat=817,822,826,821, &end # # chirality for residue 52 atoms: N C HA CB &rst iat=813,830,816,817, &end # # chirality for residue 53 atoms: CA CG1 CG2 HB &rst iat=834,838,842,837, &end # # chirality for residue 53 atoms: N C HA CB &rst iat=832,846,835,836, &end # # chirality for residue 54 atoms: CA CG HB2 HB3 &rst iat=850,855,853,854, &end # # chirality for residue 54 atoms: N C HA CB &rst iat=848,866,851,852, &end # # chirality for residue 55 atoms: CA OG HB2 HB3 &rst iat=870,875,873,874, &end # # chirality for residue 55 atoms: N C HA CB &rst iat=868,877,871,872, &end # # chirality for residue 56 atoms: CA CG1 CG2 HB &rst iat=881,885,889,884, &end # # chirality for residue 56 atoms: N C HA CB &rst iat=879,893,882,883, &end # # chirality for residue 57 atoms: CA CG HB2 HB3 &rst iat=897,902,900,901, &end # # chirality for residue 57 atoms: CB CD HG2 HG3 &rst iat=899,905,903,904, &end # # chirality for residue 57 atoms: N C HA CB &rst iat=895,910,898,899, &end # # chirality for residue 58 atoms: N C HA2 HA3 &rst iat=912,917,915,916, &end # # chirality for residue 59 atoms: CA OG HB2 HB3 &rst iat=921,926,924,925, &end # # chirality for residue 59 atoms: N C HA CB &rst iat=919,928,922,923, &end # # chirality for residue 60 atoms: N C HA2 HA3 &rst iat=930,935,933,934, &end # # chirality for residue 61 atoms: CA CG HB2 HB3 &rst iat=939,944,942,943, &end # # chirality for residue 61 atoms: N C HA CB &rst iat=937,952,940,941, &end # # chirality for residue 62 atoms: CA CG HB2 HB3 &rst iat=956,961,959,960, &end # # chirality for residue 62 atoms: N C HA CB &rst iat=954,972,957,958, &end # # chirality for residue 63 atoms: CA CG HB2 HB3 &rst iat=976,981,979,980, &end # # chirality for residue 63 atoms: CB CD HG2 HG3 &rst iat=978,984,982,983, &end # # chirality for residue 63 atoms: N C HA CB &rst iat=974,989,977,978, &end # # chirality for residue 64 atoms: N C HA2 HA3 &rst iat=991,996,994,995, &end # # chirality for residue 65 atoms: CA CG HB2 HB3 &rst iat=1000,1005,1003,1004, &end # # chirality for residue 65 atoms: N C HA CB &rst iat=998,1016,1001,1002, &end # # chirality for residue 66 atoms: CA OG HB2 HB3 &rst iat=1020,1025,1023,1024, &end # # chirality for residue 66 atoms: N C HA CB &rst iat=1018,1027,1021,1022, &end # # chirality for residue 67 atoms: CA CG HB2 HB3 &rst iat=1031,1036,1034,1035, &end # # chirality for residue 67 atoms: CB CD HG2 HG3 &rst iat=1033,1039,1037,1038, &end # # chirality for residue 67 atoms: CG NE HD2 HD3 &rst iat=1036,1042,1040,1041, &end # # chirality for residue 67 atoms: N C HA CB &rst iat=1029,1051,1032,1033, &end # # chirality for residue 68 atoms: CA CG HB2 HB3 &rst iat=1055,1060,1058,1059, &end # # chirality for residue 68 atoms: CB SD HG2 HG3 &rst iat=1057,1063,1061,1062, &end # # chirality for residue 68 atoms: N C HA CB &rst iat=1053,1068,1056,1057, &end # # chirality for residue 69 atoms: CA OG HB2 HB3 &rst iat=1072,1077,1075,1076, &end # # chirality for residue 69 atoms: N C HA CB &rst iat=1070,1079,1073,1074, &end # # chirality for residue 70 atoms: CA OG HB2 HB3 &rst iat=1083,1088,1086,1087, &end # # chirality for residue 70 atoms: N C HA CB &rst iat=1081,1090,1084,1085, &end # # chirality for residue 71 atoms: CA CG HB2 HB3 &rst iat=1094,1099,1097,1098, &end # # chirality for residue 71 atoms: CB CD HG2 HG3 &rst iat=1096,1102,1100,1101, &end # # chirality for residue 71 atoms: N C HA CB &rst iat=1092,1105,1095,1096, &end # # chirality for residue 72 atoms: CA CG2 CG1 HB &rst iat=1109,1113,1117,1112, &end # # chirality for residue 72 atoms: CB CD1 HG12 HG13 &rst iat=1111,1120,1118,1119, &end # # chirality for residue 72 atoms: N C HA CB &rst iat=1107,1124,1110,1111, &end # # chirality for residue 73 atoms: N C HA2 HA3 &rst iat=1126,1131,1129,1130, &end # # chirality for residue 74 atoms: CA CG HB2 HB3 &rst iat=1135,1140,1138,1139, &end # # chirality for residue 74 atoms: CB CD HG2 HG3 &rst iat=1137,1143,1141,1142, &end # # chirality for residue 74 atoms: CG NE HD2 HD3 &rst iat=1140,1146,1144,1145, &end # # chirality for residue 74 atoms: N C HA CB &rst iat=1133,1155,1136,1137, &end # # chirality for residue 75 atoms: CA CG HB2 HB3 &rst iat=1159,1164,1162,1163, &end # # chirality for residue 75 atoms: CB CD HG2 HG3 &rst iat=1161,1167,1165,1166, &end # # chirality for residue 75 atoms: N C HA CB &rst iat=1157,1170,1160,1161, &end # # chirality for residue 76 atoms: CA CG HB2 HB3 &rst iat=1174,1179,1177,1178, &end # # chirality for residue 76 atoms: CB CD HG2 HG3 &rst iat=1176,1182,1180,1181, &end # # chirality for residue 76 atoms: CD NZ HE2 HE3 &rst iat=1182,1188,1186,1187, &end # # chirality for residue 76 atoms: CG CE HD2 HD3 &rst iat=1179,1185,1183,1184, &end # # chirality for residue 76 atoms: N C HA CB &rst iat=1172,1192,1175,1176, &end # # chirality for residue 77 atoms: CA OG HB2 HB3 &rst iat=1196,1201,1199,1200, &end # # chirality for residue 77 atoms: N C HA CB &rst iat=1194,1203,1197,1198, &end # # chirality for residue 78 atoms: CA CG HB2 HB3 &rst iat=1207,1212,1210,1211, &end # # chirality for residue 78 atoms: CB CD HG2 HG3 &rst iat=1209,1215,1213,1214, &end # # chirality for residue 78 atoms: N C HA CB &rst iat=1205,1220,1208,1209, &end # # chirality for residue 79 atoms: CA CG HB2 HB3 &rst iat=1224,1229,1227,1228, &end # # chirality for residue 79 atoms: N C HA CB &rst iat=1222,1232,1225,1226, &end # # chirality for residue 80 atoms: CA CG HB2 HB3 &rst iat=1236,1241,1239,1240, &end # # chirality for residue 80 atoms: N C HA CB &rst iat=1234,1256,1237,1238, &end # # chirality for residue 81 atoms: N C HA2 HA3 &rst iat=1258,1263,1261,1262, &end # # chirality for residue 82 atoms: CA OG HB2 HB3 &rst iat=1267,1272,1270,1271, &end # # chirality for residue 82 atoms: N C HA CB &rst iat=1265,1274,1268,1269, &end # # chirality for residue 83 atoms: N C HA CB &rst iat=1276,1284,1279,1280, &end # # chirality for residue 84 atoms: N C HA2 HA3 &rst iat=1286,1291,1289,1290, &end # # chirality for residue 85 atoms: CA CG HB2 HB3 &rst iat=1295,1300,1298,1299, &end # # chirality for residue 85 atoms: CB CD1 CD2 HG &rst iat=1297,1302,1306,1301, &end # # chirality for residue 85 atoms: N C HA CB &rst iat=1293,1310,1296,1297, &end # # chirality for residue 86 atoms: N C HA2 HA3 &rst iat=1312,1317,1315,1316, &end # # chirality for residue 87 atoms: N C HA2 HA3 &rst iat=1319,1324,1322,1323, &end # # chirality for residue 88 atoms: CA CG1 CG2 HB &rst iat=1328,1332,1336,1331, &end # # chirality for residue 88 atoms: N C HA CB &rst iat=1326,1340,1329,1330, &end # # chirality for residue 89 atoms: CA CG HB2 HB3 &rst iat=1344,1349,1347,1348, &end # # chirality for residue 89 atoms: N C HA CB &rst iat=1342,1360,1345,1346, &end # # chirality for residue 90 atoms: CA CG HB2 HB3 &rst iat=1364,1369,1367,1368, &end # # chirality for residue 90 atoms: CB CD HG2 HG3 &rst iat=1366,1372,1370,1371, &end # # chirality for residue 90 atoms: CD NZ HE2 HE3 &rst iat=1372,1378,1376,1377, &end # # chirality for residue 90 atoms: CG CE HD2 HD3 &rst iat=1369,1375,1373,1374, &end # # chirality for residue 90 atoms: N C HA CB &rst iat=1362,1382,1365,1366, &end # # chirality for residue 91 atoms: CA CG1 CG2 HB &rst iat=1386,1390,1394,1389, &end # # chirality for residue 91 atoms: N C HA CB &rst iat=1384,1398,1387,1388, &end # # chirality for residue 92 atoms: CA CG HB2 HB3 &rst iat=1402,1407,1405,1406, &end # # chirality for residue 92 atoms: CB CD HG2 HG3 &rst iat=1404,1410,1408,1409, &end # # chirality for residue 92 atoms: N C HA CB &rst iat=1400,1413,1403,1404, &end # # chirality for residue 93 atoms: CA CG HB2 HB3 &rst iat=1417,1422,1420,1421, &end # # chirality for residue 93 atoms: N C HA CB &rst iat=1415,1437,1418,1419, &end # # chirality for residue 94 atoms: CA CG2 CG1 HB &rst iat=1441,1445,1449,1444, &end # # chirality for residue 94 atoms: CB CD1 HG12 HG13 &rst iat=1443,1452,1450,1451, &end # # chirality for residue 94 atoms: N C HA CB &rst iat=1439,1456,1442,1443, &end # # chirality for residue 95 atoms: CA CG HB2 HB3 &rst iat=1460,1465,1463,1464, &end # # chirality for residue 95 atoms: CB CD HG2 HG3 &rst iat=1462,1468,1466,1467, &end # # chirality for residue 95 atoms: CG NE HD2 HD3 &rst iat=1465,1471,1469,1470, &end # # chirality for residue 95 atoms: N C HA CB &rst iat=1458,1480,1461,1462, &end # # chirality for residue 96 atoms: CA CG HB2 HB3 &rst iat=1484,1489,1487,1488, &end # # chirality for residue 96 atoms: CB CD HG2 HG3 &rst iat=1486,1492,1490,1491, &end # # chirality for residue 96 atoms: CD NZ HE2 HE3 &rst iat=1492,1498,1496,1497, &end # # chirality for residue 96 atoms: CG CE HD2 HD3 &rst iat=1489,1495,1493,1494, &end # # chirality for residue 96 atoms: N C HA CB &rst iat=1482,1502,1485,1486, &end # # chirality for residue 97 atoms: CA CG HB2 HB3 &rst iat=1506,1511,1509,1510, &end # # chirality for residue 97 atoms: CB CD HG2 HG3 &rst iat=1508,1514,1512,1513, &end # # chirality for residue 97 atoms: N C HA CB &rst iat=1504,1517,1507,1508, &end # # chirality for residue 98 atoms: CA OG HB2 HB3 &rst iat=1521,1526,1524,1525, &end # # chirality for residue 98 atoms: N C HA CB &rst iat=1519,1528,1522,1523, &end # # chirality for residue 99 atoms: CA CG HB2 HB3 &rst iat=1532,1537,1535,1536, &end # # chirality for residue 99 atoms: CB CD1 CD2 HG &rst iat=1534,1539,1543,1538, &end # # chirality for residue 99 atoms: N C HA CB &rst iat=1530,1547,1533,1534, &end # # chirality for residue 100 atoms: CA CG HB2 HB3 &rst iat=1559,1553,1557,1558, &end # # chirality for residue 100 atoms: CB CD HG2 HG3 &rst iat=1556,1550,1554,1555, &end # # chirality for residue 100 atoms: CG N HD2 HD3 &rst iat=1553,1549,1551,1552, &end # # chirality for residue 100 atoms: N C HA CB &rst iat=1549,1561,1560,1556, &end # # chirality for residue 101 atoms: CA CG HB2 HB3 &rst iat=1565,1570,1568,1569, &end # # chirality for residue 101 atoms: N C HA CB &rst iat=1563,1581,1566,1567, &end # # chirality for residue 102 atoms: CA CG HB2 HB3 &rst iat=1585,1590,1588,1589, &end # # chirality for residue 102 atoms: CB CD HG2 HG3 &rst iat=1587,1593,1591,1592, &end # # chirality for residue 102 atoms: N C HA CB &rst iat=1583,1598,1586,1587, &end # # chirality for residue 103 atoms: CA CG HB2 HB3 &rst iat=1602,1607,1605,1606, &end # # chirality for residue 103 atoms: N C HA CB &rst iat=1600,1618,1603,1604, &end # # chirality for residue 104 atoms: N C HA CB &rst iat=1620,1628,1623,1624, &end # # chirality for residue 105 atoms: CA CG HB2 HB3 &rst iat=1632,1637,1635,1636, &end # # chirality for residue 105 atoms: N C HA CB &rst iat=1630,1645,1633,1634, &end # # chirality for residue 106 atoms: CA CG HB2 HB3 &rst iat=1649,1654,1652,1653, &end # # chirality for residue 106 atoms: N C HA CB &rst iat=1647,1662,1650,1651, &end # # chirality for residue 107 atoms: CA CG HB2 HB3 &rst iat=1666,1671,1669,1670, &end # # chirality for residue 107 atoms: CB CD1 CD2 HG &rst iat=1668,1673,1677,1672, &end # # chirality for residue 107 atoms: N C HA CB &rst iat=1664,1681,1667,1668, &end # # chirality for residue 108 atoms: CA CG HB2 HB3 &rst iat=1685,1690,1688,1689, &end # # chirality for residue 108 atoms: CB CD1 CD2 HG &rst iat=1687,1692,1696,1691, &end # # chirality for residue 108 atoms: N C HA CB &rst iat=1683,1700,1686,1687, &end # # chirality for residue 109 atoms: CA CG HB2 HB3 &rst iat=1704,1709,1707,1708, &end # # chirality for residue 109 atoms: N C HA CB &rst iat=1702,1714,1705,1706, &end # # chirality for residue 110 atoms: CA CG HB2 HB3 &rst iat=1726,1720,1724,1725, &end # # chirality for residue 110 atoms: CB CD HG2 HG3 &rst iat=1723,1717,1721,1722, &end # # chirality for residue 110 atoms: CG N HD2 HD3 &rst iat=1720,1716,1718,1719, &end # # chirality for residue 110 atoms: N C HA CB &rst iat=1716,1728,1727,1723, &end # # chirality for residue 111 atoms: CA CG HB2 HB3 &rst iat=1732,1737,1735,1736, &end # # chirality for residue 111 atoms: N C HA CB &rst iat=1730,1752,1733,1734, &end # # chirality for residue 112 atoms: CA CG HB2 HB3 &rst iat=1756,1761,1759,1760, &end # # chirality for residue 112 atoms: N C HA CB &rst iat=1754,1766,1757,1758, &end # # chirality for residue 113 atoms: CA CG HB2 HB3 &rst iat=1770,1775,1773,1774, &end # # chirality for residue 113 atoms: N C HA CB &rst iat=1768,1778,1771,1772, &end # # chirality for residue 114 atoms: CA CG HB2 HB3 &rst iat=1782,1787,1785,1786, &end # # chirality for residue 114 atoms: N C HA CB &rst iat=1780,1792,1783,1784, &end # # chirality for residue 115 atoms: CA CG HB2 HB3 &rst iat=1796,1801,1799,1800, &end # # chirality for residue 115 atoms: CB CD HG2 HG3 &rst iat=1798,1804,1802,1803, &end # # chirality for residue 115 atoms: CD NZ HE2 HE3 &rst iat=1804,1810,1808,1809, &end # # chirality for residue 115 atoms: CG CE HD2 HD3 &rst iat=1801,1807,1805,1806, &end # # chirality for residue 115 atoms: N C HA CB &rst iat=1794,1814,1797,1798, &end # # chirality for residue 116 atoms: CA CG HB2 HB3 &rst iat=1818,1823,1821,1822, &end # # chirality for residue 116 atoms: CB CD HG2 HG3 &rst iat=1820,1826,1824,1825, &end # # chirality for residue 116 atoms: CD NZ HE2 HE3 &rst iat=1826,1832,1830,1831, &end # # chirality for residue 116 atoms: CG CE HD2 HD3 &rst iat=1823,1829,1827,1828, &end # # chirality for residue 116 atoms: N C HA CB &rst iat=1816,1836,1819,1820, &end # # chirality for residue 117 atoms: CA CG1 CG2 HB &rst iat=1840,1844,1848,1843, &end # # chirality for residue 117 atoms: N C HA CB &rst iat=1838,1852,1841,1842, &end # # chirality for residue 118 atoms: CA CG HB2 HB3 &rst iat=1856,1861,1859,1860, &end # # chirality for residue 118 atoms: CB CD HG2 HG3 &rst iat=1858,1864,1862,1863, &end # # chirality for residue 118 atoms: N C HA CB &rst iat=1854,1869,1857,1858, &end # # chirality for residue 119 atoms: CA CG2 CG1 HB &rst iat=1873,1877,1881,1876, &end # # chirality for residue 119 atoms: CB CD1 HG12 HG13 &rst iat=1875,1884,1882,1883, &end # # chirality for residue 119 atoms: N C HA CB &rst iat=1871,1888,1874,1875, &end # # chirality for residue 120 atoms: CA OG HB2 HB3 &rst iat=1892,1897,1895,1896, &end # # chirality for residue 120 atoms: N C HA CB &rst iat=1890,1899,1893,1894, &end # # chirality for residue 121 atoms: CA CG HB2 HB3 &rst iat=1903,1908,1906,1907, &end # # chirality for residue 121 atoms: CB CD HG2 HG3 &rst iat=1905,1911,1909,1910, &end # # chirality for residue 121 atoms: CG NE HD2 HD3 &rst iat=1908,1914,1912,1913, &end # # chirality for residue 121 atoms: N C HA CB &rst iat=1901,1923,1904,1905, &end # # chirality for residue 122 atoms: CA CG HB2 HB3 &rst iat=1927,1932,1930,1931, &end # # chirality for residue 122 atoms: N C HA CB &rst iat=1925,1935,1928,1929, &end # # chirality for residue 123 atoms: N C HA2 HA3 &rst iat=1937,1942,1940,1941, &end # # chirality for residue 124 atoms: CA CG HB2 HB3 &rst iat=1946,1951,1949,1950, &end # # chirality for residue 124 atoms: CB CD HG2 HG3 &rst iat=1948,1954,1952,1953, &end # # chirality for residue 124 atoms: N C HA CB &rst iat=1944,1959,1947,1948, &end # # chirality for residue 125 atoms: CA CG HB2 HB3 &rst iat=1963,1968,1966,1967, &end # # chirality for residue 125 atoms: CB CD HG2 HG3 &rst iat=1965,1971,1969,1970, &end # # chirality for residue 125 atoms: N C HA CB &rst iat=1961,1974,1964,1965, &end # # chirality for residue 126 atoms: CA CG HB2 HB3 &rst iat=1978,1983,1981,1982, &end # # chirality for residue 126 atoms: CB CD1 CD2 HG &rst iat=1980,1985,1989,1984, &end # # chirality for residue 126 atoms: N C HA CB &rst iat=1976,1993,1979,1980, &end # # chirality for residue 127 atoms: CA CG HB2 HB3 &rst iat=1997,2002,2000,2001, &end # # chirality for residue 127 atoms: CB CD HG2 HG3 &rst iat=1999,2005,2003,2004, &end # # chirality for residue 127 atoms: N C HA CB &rst iat=1995,2008,1998,1999, &end # # chirality for residue 128 atoms: CA CG HB2 HB3 &rst iat=2020,2014,2018,2019, &end # # chirality for residue 128 atoms: CB CD HG2 HG3 &rst iat=2017,2011,2015,2016, &end # # chirality for residue 128 atoms: CG N HD2 HD3 &rst iat=2014,2010,2012,2013, &end # # chirality for residue 128 atoms: N C HA CB &rst iat=2010,2022,2021,2017, &end # # chirality for residue 129 atoms: CA CG HB2 HB3 &rst iat=2026,2031,2029,2030, &end # # chirality for residue 129 atoms: CB CD HG2 HG3 &rst iat=2028,2034,2032,2033, &end # # chirality for residue 129 atoms: N C HA CB &rst iat=2024,2039,2027,2028, &end # # chirality for residue 130 atoms: CA CG1 CG2 HB &rst iat=2043,2047,2051,2046, &end # # chirality for residue 130 atoms: N C HA CB &rst iat=2041,2055,2044,2045, &end # # chirality for residue 131 atoms: N C HA2 HA3 &rst iat=2057,2062,2060,2061, &end # # chirality for residue 132 atoms: CA CG HB2 HB3 &rst iat=2066,2071,2069,2070, &end # # chirality for residue 132 atoms: CB CD HG2 HG3 &rst iat=2068,2074,2072,2073, &end # # chirality for residue 132 atoms: N C HA CB &rst iat=2064,2077,2067,2068, &end # # chirality for residue 133 atoms: CA CG HB2 HB3 &rst iat=2081,2086,2084,2085, &end # # chirality for residue 133 atoms: CB CD HG2 HG3 &rst iat=2083,2089,2087,2088, &end # # chirality for residue 133 atoms: N C HA CB &rst iat=2079,2094,2082,2083, &end # # chirality for residue 134 atoms: CA CG HB2 HB3 &rst iat=2098,2103,2101,2102, &end # # chirality for residue 134 atoms: CB CD1 CD2 HG &rst iat=2100,2105,2109,2104, &end # # chirality for residue 134 atoms: N C HA CB &rst iat=2096,2113,2099,2100, &end # # chirality for residue 135 atoms: CA CG HB2 HB3 &rst iat=2117,2122,2120,2121, &end # # chirality for residue 135 atoms: CB CD1 CD2 HG &rst iat=2119,2124,2128,2123, &end # # chirality for residue 135 atoms: N C HA CB &rst iat=2115,2132,2118,2119, &end # # chirality for residue 136 atoms: CA CG HB2 HB3 &rst iat=2136,2141,2139,2140, &end # # chirality for residue 136 atoms: CB CD HG2 HG3 &rst iat=2138,2144,2142,2143, &end # # chirality for residue 136 atoms: N C HA CB &rst iat=2134,2149,2137,2138, &end # # chirality for residue 137 atoms: CA CG HB2 HB3 &rst iat=2153,2158,2156,2157, &end # # chirality for residue 137 atoms: CB CD1 CD2 HG &rst iat=2155,2160,2164,2159, &end # # chirality for residue 137 atoms: N C HA CB &rst iat=2151,2168,2154,2155, &end # # chirality for residue 138 atoms: CA CG HB2 HB3 &rst iat=2172,2177,2175,2176, &end # # chirality for residue 138 atoms: N C HA CB &rst iat=2170,2192,2173,2174, &end # # chirality for residue 139 atoms: CA CG HB2 HB3 &rst iat=2196,2201,2199,2200, &end # # chirality for residue 139 atoms: CB CD HG2 HG3 &rst iat=2198,2204,2202,2203, &end # # chirality for residue 139 atoms: N C HA CB &rst iat=2194,2207,2197,2198, &end # # chirality for residue 140 atoms: CA CG HB2 HB3 &rst iat=2211,2216,2214,2215, &end # # chirality for residue 140 atoms: CB CD HG2 HG3 &rst iat=2213,2219,2217,2218, &end # # chirality for residue 140 atoms: CG NE HD2 HD3 &rst iat=2216,2222,2220,2221, &end # # chirality for residue 140 atoms: N C HA CB &rst iat=2209,2231,2212,2213, &end # # chirality for residue 141 atoms: CA CG HB2 HB3 &rst iat=2235,2240,2238,2239, &end # # chirality for residue 141 atoms: CB CD1 CD2 HG &rst iat=2237,2242,2246,2241, &end # # chirality for residue 141 atoms: N C HA CB &rst iat=2233,2250,2236,2237, &end # # trans-omega constraint for residue 2 &rst iat=12,10,8,5, r1=150., r2=170., r3=190., r4=210., rk2 = 50., rk3=50., &end # # trans-omega constraint for residue 3 &rst iat=23,21,19,12, &end # # trans-omega constraint for residue 4 &rst iat=34,32,30,23, &end # # trans-omega constraint for residue 5 &rst iat=41,39,37,34, &end # # trans-omega constraint for residue 6 &rst iat=52,50,48,41, &end # # trans-omega constraint for residue 7 &rst iat=63,61,59,52, &end # # trans-omega constraint for residue 8 &rst iat=70,68,66,63, &end # # trans-omega constraint for residue 9 &rst iat=86,84,82,70, &end # # trans-omega constraint for residue 10 &rst iat=110,108,106,86, &end # # trans-omega constraint for residue 11 &rst iat=131,129,127,110, &end # # trans-omega constraint for residue 12 &rst iat=151,149,147,131, &end # # trans-omega constraint for residue 13 &rst iat=170,168,166,151, &end # # trans-omega constraint for residue 14 &rst iat=187,185,183,170, &end # # trans-omega constraint for residue 15 &rst iat=209,207,205,187, &end # # trans-omega constraint for residue 16 &rst iat=220,218,216,209, &end # # trans-omega constraint for residue 17 &rst iat=231,229,227,220, &end # # trans-omega constraint for residue 18 &rst iat=245,243,241,231, &end # # trans-omega constraint for residue 19 &rst iat=264,262,260,245, &end # # trans-omega constraint for residue 20 &rst iat=288,286,284,264, &end # # trans-omega constraint for residue 21 &rst iat=302,300,298,288, &end # # trans-omega constraint for residue 22 &rst iat=321,319,317,302, &end # # trans-omega constraint for residue 23 &rst iat=336,334,332,321, &end # # trans-omega constraint for residue 24 &rst iat=355,353,351,336, &end # # trans-omega constraint for residue 25 &rst iat=366,364,362,355, &end # # trans-omega constraint for residue 26 &rst iat=383,381,379,366, &end # # trans-omega constraint for residue 27 &rst iat=400,398,396,383, &end # # trans-omega constraint for residue 28 &rst iat=422,420,418,400, &end # # trans-omega constraint for residue 29 &rst iat=429,427,425,422, &end # # trans-omega constraint for residue 30 &rst iat=448,446,444,429, &end # # trans-omega constraint for residue 31 &rst iat=472,470,468,448, &end # # trans-omega constraint for residue 32 &rst iat=483,481,479,472, &end # # trans-omega constraint for residue 33 &rst iat=497,495,493,483, &end # # trans-omega constraint for residue 34 &rst iat=519,509,507,497, &end # # trans-omega constraint for residue 35 &rst iat=525,523,521,519, &end # # trans-omega constraint for residue 36 &rst iat=536,534,532,525, &end # # trans-omega constraint for residue 37 &rst iat=550,548,546,536, &end # # trans-omega constraint for residue 38 &rst iat=565,563,561,550, &end # # trans-omega constraint for residue 39 &rst iat=589,587,585,565, &end # # trans-omega constraint for residue 40 &rst iat=611,609,607,589, &end # # trans-omega constraint for residue 41 &rst iat=630,628,626,611, &end # # trans-omega constraint for residue 42 &rst iat=644,642,640,630, &end # # trans-omega constraint for residue 43 &rst iat=668,666,664,644, &end # # trans-omega constraint for residue 44 &rst iat=678,676,674,668, &end # # trans-omega constraint for residue 45 &rst iat=698,696,694,678, &end # # trans-omega constraint for residue 46 &rst iat=722,720,718,698, &end # # trans-omega constraint for residue 47 &rst iat=737,735,733,722, &end # # trans-omega constraint for residue 48 &rst iat=748,746,744,737, &end # # trans-omega constraint for residue 49 &rst iat=759,757,755,748, &end # # trans-omega constraint for residue 50 &rst iat=778,776,774,759, &end # # trans-omega constraint for residue 51 &rst iat=794,792,790,778, &end # # trans-omega constraint for residue 52 &rst iat=815,813,811,794, &end # # trans-omega constraint for residue 53 &rst iat=834,832,830,815, &end # # trans-omega constraint for residue 54 &rst iat=850,848,846,834, &end # # trans-omega constraint for residue 55 &rst iat=870,868,866,850, &end # # trans-omega constraint for residue 56 &rst iat=881,879,877,870, &end # # trans-omega constraint for residue 57 &rst iat=897,895,893,881, &end # # trans-omega constraint for residue 58 &rst iat=914,912,910,897, &end # # trans-omega constraint for residue 59 &rst iat=921,919,917,914, &end # # trans-omega constraint for residue 60 &rst iat=932,930,928,921, &end # # trans-omega constraint for residue 61 &rst iat=939,937,935,932, &end # # trans-omega constraint for residue 62 &rst iat=956,954,952,939, &end # # trans-omega constraint for residue 63 &rst iat=976,974,972,956, &end # # trans-omega constraint for residue 64 &rst iat=993,991,989,976, &end # # trans-omega constraint for residue 65 &rst iat=1000,998,996,993, &end # # trans-omega constraint for residue 66 &rst iat=1020,1018,1016,1000, &end # # trans-omega constraint for residue 67 &rst iat=1031,1029,1027,1020, &end # # trans-omega constraint for residue 68 &rst iat=1055,1053,1051,1031, &end # # trans-omega constraint for residue 69 &rst iat=1072,1070,1068,1055, &end # # trans-omega constraint for residue 70 &rst iat=1083,1081,1079,1072, &end # # trans-omega constraint for residue 71 &rst iat=1094,1092,1090,1083, &end # # trans-omega constraint for residue 72 &rst iat=1109,1107,1105,1094, &end # # trans-omega constraint for residue 73 &rst iat=1128,1126,1124,1109, &end # # trans-omega constraint for residue 74 &rst iat=1135,1133,1131,1128, &end # # trans-omega constraint for residue 75 &rst iat=1159,1157,1155,1135, &end # # trans-omega constraint for residue 76 &rst iat=1174,1172,1170,1159, &end # # trans-omega constraint for residue 77 &rst iat=1196,1194,1192,1174, &end # # trans-omega constraint for residue 78 &rst iat=1207,1205,1203,1196, &end # # trans-omega constraint for residue 79 &rst iat=1224,1222,1220,1207, &end # # trans-omega constraint for residue 80 &rst iat=1236,1234,1232,1224, &end # # trans-omega constraint for residue 81 &rst iat=1260,1258,1256,1236, &end # # trans-omega constraint for residue 82 &rst iat=1267,1265,1263,1260, &end # # trans-omega constraint for residue 83 &rst iat=1278,1276,1274,1267, &end # # trans-omega constraint for residue 84 &rst iat=1288,1286,1284,1278, &end # # trans-omega constraint for residue 85 &rst iat=1295,1293,1291,1288, &end # # trans-omega constraint for residue 86 &rst iat=1314,1312,1310,1295, &end # # trans-omega constraint for residue 87 &rst iat=1321,1319,1317,1314, &end # # trans-omega constraint for residue 88 &rst iat=1328,1326,1324,1321, &end # # trans-omega constraint for residue 89 &rst iat=1344,1342,1340,1328, &end # # trans-omega constraint for residue 90 &rst iat=1364,1362,1360,1344, &end # # trans-omega constraint for residue 91 &rst iat=1386,1384,1382,1364, &end # # trans-omega constraint for residue 92 &rst iat=1402,1400,1398,1386, &end # # trans-omega constraint for residue 93 &rst iat=1417,1415,1413,1402, &end # # trans-omega constraint for residue 94 &rst iat=1441,1439,1437,1417, &end # # trans-omega constraint for residue 95 &rst iat=1460,1458,1456,1441, &end # # trans-omega constraint for residue 96 &rst iat=1484,1482,1480,1460, &end # # trans-omega constraint for residue 97 &rst iat=1506,1504,1502,1484, &end # # trans-omega constraint for residue 98 &rst iat=1521,1519,1517,1506, &end # # trans-omega constraint for residue 99 &rst iat=1532,1530,1528,1521, &end # # trans-omega constraint for residue 100 &rst iat=1559,1549,1547,1532, &end # # trans-omega constraint for residue 101 &rst iat=1565,1563,1561,1559, &end # # trans-omega constraint for residue 102 &rst iat=1585,1583,1581,1565, &end # # trans-omega constraint for residue 103 &rst iat=1602,1600,1598,1585, &end # # trans-omega constraint for residue 104 &rst iat=1622,1620,1618,1602, &end # # trans-omega constraint for residue 105 &rst iat=1632,1630,1628,1622, &end # # trans-omega constraint for residue 106 &rst iat=1649,1647,1645,1632, &end # # trans-omega constraint for residue 107 &rst iat=1666,1664,1662,1649, &end # # trans-omega constraint for residue 108 &rst iat=1685,1683,1681,1666, &end # # trans-omega constraint for residue 109 &rst iat=1704,1702,1700,1685, &end # # trans-omega constraint for residue 110 &rst iat=1726,1716,1714,1704, &end # # trans-omega constraint for residue 111 &rst iat=1732,1730,1728,1726, &end # # trans-omega constraint for residue 112 &rst iat=1756,1754,1752,1732, &end # # trans-omega constraint for residue 113 &rst iat=1770,1768,1766,1756, &end # # trans-omega constraint for residue 114 &rst iat=1782,1780,1778,1770, &end # # trans-omega constraint for residue 115 &rst iat=1796,1794,1792,1782, &end # # trans-omega constraint for residue 116 &rst iat=1818,1816,1814,1796, &end # # trans-omega constraint for residue 117 &rst iat=1840,1838,1836,1818, &end # # trans-omega constraint for residue 118 &rst iat=1856,1854,1852,1840, &end # # trans-omega constraint for residue 119 &rst iat=1873,1871,1869,1856, &end # # trans-omega constraint for residue 120 &rst iat=1892,1890,1888,1873, &end # # trans-omega constraint for residue 121 &rst iat=1903,1901,1899,1892, &end # # trans-omega constraint for residue 122 &rst iat=1927,1925,1923,1903, &end # # trans-omega constraint for residue 123 &rst iat=1939,1937,1935,1927, &end # # trans-omega constraint for residue 124 &rst iat=1946,1944,1942,1939, &end # # trans-omega constraint for residue 125 &rst iat=1963,1961,1959,1946, &end # # trans-omega constraint for residue 126 &rst iat=1978,1976,1974,1963, &end # # trans-omega constraint for residue 127 &rst iat=1997,1995,1993,1978, &end # # trans-omega constraint for residue 128 &rst iat=2020,2010,2008,1997, &end # # trans-omega constraint for residue 129 &rst iat=2026,2024,2022,2020, &end # # trans-omega constraint for residue 130 &rst iat=2043,2041,2039,2026, &end # # trans-omega constraint for residue 131 &rst iat=2059,2057,2055,2043, &end # # trans-omega constraint for residue 132 &rst iat=2066,2064,2062,2059, &end # # trans-omega constraint for residue 133 &rst iat=2081,2079,2077,2066, &end # # trans-omega constraint for residue 134 &rst iat=2098,2096,2094,2081, &end # # trans-omega constraint for residue 135 &rst iat=2117,2115,2113,2098, &end # # trans-omega constraint for residue 136 &rst iat=2136,2134,2132,2117, &end # # trans-omega constraint for residue 137 &rst iat=2153,2151,2149,2136, &end # # trans-omega constraint for residue 138 &rst iat=2172,2170,2168,2153, &end # # trans-omega constraint for residue 139 &rst iat=2196,2194,2192,2172, &end # # trans-omega constraint for residue 140 &rst iat=2211,2209,2207,2196, &end # # trans-omega constraint for residue 141 &rst iat=2235,2233,2231,2211, &end #
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