# # distance restraint between the coms of the monomers &rst iat=-1,-1, iresid=1, r1=0.0, r2=18.0528067, r3=18.0528067, r4=99.000, rk2=5.0000, rk3=5.0000, igr1=1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,0, grnam1(1)=’O’, grnam1(2)=’O’, grnam1(3)=’O’, grnam1(4)=’O’, grnam1(5)=’O’, grnam1(6)=’O’, grnam1(7)=’O’, grnam1(8)=’O’, grnam1(9)=’O’, grnam1(10)=’O’, grnam1(11)=’O’, grnam1(12)=’O’, grnam1(13)=’O’, grnam1(14)=’O’, grnam1(15)=’O’, grnam1(16)=’O’, grnam1(17)=’O’, grnam1(18)=’O’, grnam1(19)=’O’, grnam1(20)=’O’, grnam1(21)=’O’, grnam1(22)=’O’, grnam1(23)=’O’, grnam1(24)=’O’, grnam1(25)=’O’, grnam1(26)=’O’, grnam1(27)=’O’, grnam1(28)=’O’, grnam1(29)=’O’, grnam1(30)=’O’, grnam1(31)=’O’, grnam1(32)=’O’, grnam1(33)=’O’, grnam1(34)=’O’, grnam1(35)=’O’, grnam1(36)=’O’, grnam1(37)=’O’, grnam1(38)=’O’, grnam1(39)=’O’, grnam1(40)=’O’, grnam1(41)=’O’, grnam1(42)=’O’, grnam1(43)=’O’, grnam1(44)=’O’, grnam1(45)=’O’, grnam1(46)=’O’, grnam1(47)=’O’, grnam1(48)=’O’, grnam1(49)=’O’, grnam1(50)=’O’, grnam1(51)=’O’, igr2=52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81,82,83,84,85,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,0, grnam2(1)=’O’, grnam2(2)=’O’, grnam2(3)=’O’, grnam2(4)=’O’, grnam2(5)=’O’, grnam2(6)=’O’, grnam2(7)=’O’, grnam2(8)=’O’, grnam2(9)=’O’, grnam2(10)=’O’, grnam2(11)=’O’, grnam2(12)=’O’, grnam2(13)=’O’, grnam2(14)=’O’, grnam2(15)=’O’, grnam2(16)=’O’, grnam2(17)=’O’, grnam2(18)=’O’, grnam2(19)=’O’, grnam2(20)=’O’, grnam2(21)=’O’, grnam2(22)=’O’, grnam2(23)=’O’, grnam2(24)=’O’, grnam2(25)=’O’, grnam2(26)=’O’, grnam2(27)=’O’, grnam2(28)=’O’, grnam2(29)=’O’, grnam2(30)=’O’, grnam2(31)=’O’, grnam2(32)=’O’, grnam2(33)=’O’, grnam2(34)=’O’, grnam2(35)=’O’, grnam2(36)=’O’, grnam2(37)=’O’, grnam2(38)=’O’, grnam2(39)=’O’, grnam2(40)=’O’, grnam2(41)=’O’, grnam2(42)=’O’, grnam2(43)=’O’, grnam2(44)=’O’, grnam2(45)=’O’, grnam2(46)=’O’, grnam2(47)=’O’, grnam2(48)=’O’, grnam2(49)=’O’, grnam2(50)=’O’, grnam2(51)=’O’ / # # chirality for residue 1 atoms: N C HA2 HA3 &rst iat=1,8,6,7, r1=10., r2=60., r3=80., r4=130., rk2 = 10., rk3=10., &end # # chirality for residue 2 atoms: CA CG2 CG1 HB &rst iat=12,16,20,15, &end # # chirality for residue 2 atoms: CB CD1 HG12 HG13 &rst iat=14,23,21,22, &end # # chirality for residue 2 atoms: N C HA CB &rst iat=10,27,13,14, &end # # chirality for residue 3 atoms: CA CG1 CG2 HB &rst iat=31,35,39,34, &end # # chirality for residue 3 atoms: N C HA CB &rst iat=29,43,32,33, &end # # chirality for residue 4 atoms: CA CG HB2 HB3 &rst iat=47,52,50,51, &end # # chirality for residue 4 atoms: CB CD HG2 HG3 &rst iat=49,55,53,54, &end # # chirality for residue 4 atoms: N C HA CB &rst iat=45,58,48,49, &end # # chirality for residue 5 atoms: CA CG HB2 HB3 &rst iat=62,67,65,66, &end # # chirality for residue 5 atoms: CB CD HG2 HG3 &rst iat=64,70,68,69, &end # # chirality for residue 5 atoms: N C HA CB &rst iat=60,75,63,64, &end # # chirality for residue 6 atoms: CA SG HB2 HB3 &rst iat=79,84,82,83, &end # # chirality for residue 6 atoms: N C HA CB &rst iat=77,85,80,81, &end # # chirality for residue 7 atoms: CA SG HB2 HB3 &rst iat=89,94,92,93, &end # # chirality for residue 7 atoms: N C HA CB &rst iat=87,95,90,91, &end # # chirality for residue 8 atoms: N C HA CB &rst iat=97,105,100,101, &end # # chirality for residue 9 atoms: CA OG HB2 HB3 &rst iat=109,114,112,113, &end # # chirality for residue 9 atoms: N C HA CB &rst iat=107,116,110,111, &end # # chirality for residue 10 atoms: CA CG1 CG2 HB &rst iat=120,124,128,123, &end # # chirality for residue 10 atoms: N C HA CB &rst iat=118,132,121,122, &end # # chirality for residue 11 atoms: CA SG HB2 HB3 &rst iat=136,141,139,140, &end # # chirality for residue 11 atoms: N C HA CB &rst iat=134,142,137,138, &end # # chirality for residue 12 atoms: CA OG HB2 HB3 &rst iat=146,151,149,150, &end # # chirality for residue 12 atoms: N C HA CB &rst iat=144,153,147,148, &end # # chirality for residue 13 atoms: CA CG HB2 HB3 &rst iat=157,162,160,161, &end # # chirality for residue 13 atoms: CB CD1 CD2 HG &rst iat=159,164,168,163, &end # # chirality for residue 13 atoms: N C HA CB &rst iat=155,172,158,159, &end # # chirality for residue 14 atoms: CA CG HB2 HB3 &rst iat=176,181,179,180, &end # # chirality for residue 14 atoms: N C HA CB &rst iat=174,193,177,178, &end # # chirality for residue 15 atoms: CA CG HB2 HB3 &rst iat=197,202,200,201, &end # # chirality for residue 15 atoms: CB CD HG2 HG3 &rst iat=199,205,203,204, &end # # chirality for residue 15 atoms: N C HA CB &rst iat=195,210,198,199, &end # # chirality for residue 16 atoms: CA CG HB2 HB3 &rst iat=214,219,217,218, &end # # chirality for residue 16 atoms: CB CD1 CD2 HG &rst iat=216,221,225,220, &end # # chirality for residue 16 atoms: N C HA CB &rst iat=212,229,215,216, &end # # chirality for residue 18 atoms: CA CG HB2 HB3 &rst iat=249,254,252,253, &end # # chirality for residue 18 atoms: N C HA CB &rst iat=247,259,250,251, &end # # chirality for residue 19 atoms: CA CG HB2 HB3 &rst iat=263,268,266,267, &end # # chirality for residue 19 atoms: N C HA CB &rst iat=261,280,264,265, &end # # chirality for residue 20 atoms: CA SG HB2 HB3 &rst iat=284,289,287,288, &end # # chirality for residue 20 atoms: N C HA CB &rst iat=282,290,285,286, &end # # chirality for residue 21 atoms: CA CG HB2 HB3 &rst iat=294,299,297,298, &end # # chirality for residue 21 atoms: N C HA CB &rst iat=292,304,295,296, &end # # chirality for residue 22 atoms: CA CG HB2 HB3 &rst iat=311,316,314,315, &end # # chirality for residue 22 atoms: N C HA CB &rst iat=307,327,312,313, &end # # chirality for residue 23 atoms: CA CG1 CG2 HB &rst iat=331,335,339,334, &end # # chirality for residue 23 atoms: N C HA CB &rst iat=329,343,332,333, &end # # chirality for residue 24 atoms: CA CG HB2 HB3 &rst iat=347,352,350,351, &end # # chirality for residue 24 atoms: N C HA CB &rst iat=345,357,348,349, &end # # chirality for residue 25 atoms: CA CG HB2 HB3 &rst iat=361,366,364,365, &end # # chirality for residue 25 atoms: CB CD HG2 HG3 &rst iat=363,369,367,368, &end # # chirality for residue 25 atoms: N C HA CB &rst iat=359,374,362,363, &end # # chirality for residue 26 atoms: CA CG HB2 HB3 &rst iat=378,383,381,382, &end # # chirality for residue 26 atoms: N C HA CB &rst iat=376,392,379,380, &end # # chirality for residue 27 atoms: CA CG HB2 HB3 &rst iat=396,401,399,400, &end # # chirality for residue 27 atoms: CB CD1 CD2 HG &rst iat=398,403,407,402, &end # # chirality for residue 27 atoms: N C HA CB &rst iat=394,411,397,398, &end # # chirality for residue 28 atoms: CA SG HB2 HB3 &rst iat=415,420,418,419, &end # # chirality for residue 28 atoms: N C HA CB &rst iat=413,421,416,417, &end # # chirality for residue 29 atoms: N C HA2 HA3 &rst iat=423,428,426,427, &end # # chirality for residue 30 atoms: CA OG HB2 HB3 &rst iat=432,437,435,436, &end # # chirality for residue 30 atoms: N C HA CB &rst iat=430,439,433,434, &end # # chirality for residue 31 atoms: CA CG HB2 HB3 &rst iat=443,448,446,447, &end # # chirality for residue 31 atoms: N C HA CB &rst iat=441,457,444,445, &end # # chirality for residue 32 atoms: CA CG HB2 HB3 &rst iat=461,466,464,465, &end # # chirality for residue 32 atoms: CB CD1 CD2 HG &rst iat=463,468,472,467, &end # # chirality for residue 32 atoms: N C HA CB &rst iat=459,476,462,463, &end # # chirality for residue 33 atoms: CA CG1 CG2 HB &rst iat=480,484,488,483, &end # # chirality for residue 33 atoms: N C HA CB &rst iat=478,492,481,482, &end # # chirality for residue 35 atoms: N C HA CB &rst iat=510,518,513,514, &end # # chirality for residue 36 atoms: CA CG HB2 HB3 &rst iat=522,527,525,526, &end # # chirality for residue 36 atoms: CB CD1 CD2 HG &rst iat=524,529,533,528, &end # # chirality for residue 36 atoms: N C HA CB &rst iat=520,537,523,524, &end # # chirality for residue 37 atoms: CA CG HB2 HB3 &rst iat=541,546,544,545, &end # # chirality for residue 37 atoms: N C HA CB &rst iat=539,558,542,543, &end # # chirality for residue 38 atoms: CA CG HB2 HB3 &rst iat=562,567,565,566, &end # # chirality for residue 38 atoms: CB CD1 CD2 HG &rst iat=564,569,573,568, &end # # chirality for residue 38 atoms: N C HA CB &rst iat=560,577,563,564, &end # # chirality for residue 39 atoms: CA CG1 CG2 HB &rst iat=581,585,589,584, &end # # chirality for residue 39 atoms: N C HA CB &rst iat=579,593,582,583, &end # # chirality for residue 40 atoms: CA SG HB2 HB3 &rst iat=597,602,600,601, &end # # chirality for residue 40 atoms: N C HA CB &rst iat=595,603,598,599, &end # # chirality for residue 41 atoms: N C HA2 HA3 &rst iat=605,610,608,609, &end # # chirality for residue 43 atoms: CA CG HB2 HB3 &rst iat=630,635,633,634, &end # # chirality for residue 43 atoms: CB CD HG2 HG3 &rst iat=632,638,636,637, &end # # chirality for residue 43 atoms: CG NE HD2 HD3 &rst iat=635,641,639,640, &end # # chirality for residue 43 atoms: N C HA CB &rst iat=628,650,631,632, &end # # chirality for residue 44 atoms: N C HA2 HA3 &rst iat=652,657,655,656, &end # # chirality for residue 45 atoms: CA CG HB2 HB3 &rst iat=661,666,664,665, &end # # chirality for residue 45 atoms: N C HA CB &rst iat=659,677,662,663, &end # # chirality for residue 46 atoms: CA CG HB2 HB3 &rst iat=681,686,684,685, &end # # chirality for residue 46 atoms: N C HA CB &rst iat=679,697,682,683, &end # # chirality for residue 47 atoms: CA CG HB2 HB3 &rst iat=701,706,704,705, &end # # chirality for residue 47 atoms: N C HA CB &rst iat=699,718,702,703, &end # # chirality for residue 48 atoms: CA CG2 OG1 HB &rst iat=722,726,730,725, &end # # chirality for residue 48 atoms: N C HA CB &rst iat=720,732,723,724, &end # # chirality for residue 49 atoms: CA CG HB2 HB3 &rst iat=744,738,742,743, &end # # chirality for residue 49 atoms: CB CD HG2 HG3 &rst iat=741,735,739,740, &end # # chirality for residue 49 atoms: CG N HD2 HD3 &rst iat=738,734,736,737, &end # # chirality for residue 49 atoms: N C HA CB &rst iat=734,746,745,741, &end # # chirality for residue 50 atoms: CA CG HB2 HB3 &rst iat=750,755,753,754, &end # # chirality for residue 50 atoms: CB CD HG2 HG3 &rst iat=752,758,756,757, &end # # chirality for residue 50 atoms: CD NZ HE2 HE3 &rst iat=758,764,762,763, &end # # chirality for residue 50 atoms: CG CE HD2 HD3 &rst iat=755,761,759,760, &end # # chirality for residue 50 atoms: N C HA CB &rst iat=748,768,751,752, &end # # chirality for residue 51 atoms: N C HA CB &rst iat=770,778,773,774, &end # # chirality for residue 52 atoms: N C HA2 HA3 &rst iat=781,788,786,787, &end # # chirality for residue 53 atoms: CA CG2 CG1 HB &rst iat=792,796,800,795, &end # # chirality for residue 53 atoms: CB CD1 HG12 HG13 &rst iat=794,803,801,802, &end # # chirality for residue 53 atoms: N C HA CB &rst iat=790,807,793,794, &end # # chirality for residue 54 atoms: CA CG1 CG2 HB &rst iat=811,815,819,814, &end # # chirality for residue 54 atoms: N C HA CB &rst iat=809,823,812,813, &end # # chirality for residue 56 atoms: CA CG HB2 HB3 &rst iat=843,848,846,847, &end # # chirality for residue 56 atoms: CB CD HG2 HG3 &rst iat=845,851,849,850, &end # # chirality for residue 56 atoms: N C HA CB &rst iat=841,856,844,845, &end # # chirality for residue 57 atoms: CA SG HB2 HB3 &rst iat=860,865,863,864, &end # # chirality for residue 57 atoms: N C HA CB &rst iat=858,866,861,862, &end # # chirality for residue 58 atoms: CA SG HB2 HB3 &rst iat=870,875,873,874, &end # # chirality for residue 58 atoms: N C HA CB &rst iat=868,876,871,872, &end # # chirality for residue 59 atoms: N C HA CB &rst iat=878,886,881,882, &end # # chirality for residue 60 atoms: CA OG HB2 HB3 &rst iat=890,895,893,894, &end # # chirality for residue 60 atoms: N C HA CB &rst iat=888,897,891,892, &end # # chirality for residue 61 atoms: CA CG1 CG2 HB &rst iat=901,905,909,904, &end # # chirality for residue 61 atoms: N C HA CB &rst iat=899,913,902,903, &end # # chirality for residue 62 atoms: CA SG HB2 HB3 &rst iat=917,922,920,921, &end # # chirality for residue 62 atoms: N C HA CB &rst iat=915,923,918,919, &end # # chirality for residue 63 atoms: CA OG HB2 HB3 &rst iat=927,932,930,931, &end # # chirality for residue 63 atoms: N C HA CB &rst iat=925,934,928,929, &end # # chirality for residue 64 atoms: CA CG HB2 HB3 &rst iat=938,943,941,942, &end # # chirality for residue 64 atoms: CB CD1 CD2 HG &rst iat=940,945,949,944, &end # # chirality for residue 64 atoms: N C HA CB &rst iat=936,953,939,940, &end # # chirality for residue 65 atoms: CA CG HB2 HB3 &rst iat=957,962,960,961, &end # # chirality for residue 65 atoms: N C HA CB &rst iat=955,974,958,959, &end # # chirality for residue 66 atoms: CA CG HB2 HB3 &rst iat=978,983,981,982, &end # # chirality for residue 66 atoms: CB CD HG2 HG3 &rst iat=980,986,984,985, &end # # chirality for residue 66 atoms: N C HA CB &rst iat=976,991,979,980, &end # # chirality for residue 67 atoms: CA CG HB2 HB3 &rst iat=995,1000,998,999, &end # # chirality for residue 67 atoms: CB CD1 CD2 HG &rst iat=997,1002,1006,1001, &end # # chirality for residue 67 atoms: N C HA CB &rst iat=993,1010,996,997, &end # # chirality for residue 69 atoms: CA CG HB2 HB3 &rst iat=1030,1035,1033,1034, &end # # chirality for residue 69 atoms: N C HA CB &rst iat=1028,1040,1031,1032, &end # # chirality for residue 70 atoms: CA CG HB2 HB3 &rst iat=1044,1049,1047,1048, &end # # chirality for residue 70 atoms: N C HA CB &rst iat=1042,1061,1045,1046, &end # # chirality for residue 71 atoms: CA SG HB2 HB3 &rst iat=1065,1070,1068,1069, &end # # chirality for residue 71 atoms: N C HA CB &rst iat=1063,1071,1066,1067, &end # # chirality for residue 72 atoms: CA CG HB2 HB3 &rst iat=1075,1080,1078,1079, &end # # chirality for residue 72 atoms: N C HA CB &rst iat=1073,1085,1076,1077, &end # # chirality for residue 73 atoms: CA CG HB2 HB3 &rst iat=1092,1097,1095,1096, &end # # chirality for residue 73 atoms: N C HA CB &rst iat=1088,1108,1093,1094, &end # # chirality for residue 74 atoms: CA CG1 CG2 HB &rst iat=1112,1116,1120,1115, &end # # chirality for residue 74 atoms: N C HA CB &rst iat=1110,1124,1113,1114, &end # # chirality for residue 75 atoms: CA CG HB2 HB3 &rst iat=1128,1133,1131,1132, &end # # chirality for residue 75 atoms: N C HA CB &rst iat=1126,1138,1129,1130, &end # # chirality for residue 76 atoms: CA CG HB2 HB3 &rst iat=1142,1147,1145,1146, &end # # chirality for residue 76 atoms: CB CD HG2 HG3 &rst iat=1144,1150,1148,1149, &end # # chirality for residue 76 atoms: N C HA CB &rst iat=1140,1155,1143,1144, &end # # chirality for residue 77 atoms: CA CG HB2 HB3 &rst iat=1159,1164,1162,1163, &end # # chirality for residue 77 atoms: N C HA CB &rst iat=1157,1173,1160,1161, &end # # chirality for residue 78 atoms: CA CG HB2 HB3 &rst iat=1177,1182,1180,1181, &end # # chirality for residue 78 atoms: CB CD1 CD2 HG &rst iat=1179,1184,1188,1183, &end # # chirality for residue 78 atoms: N C HA CB &rst iat=1175,1192,1178,1179, &end # # chirality for residue 79 atoms: CA SG HB2 HB3 &rst iat=1196,1201,1199,1200, &end # # chirality for residue 79 atoms: N C HA CB &rst iat=1194,1202,1197,1198, &end # # chirality for residue 80 atoms: N C HA2 HA3 &rst iat=1204,1209,1207,1208, &end # # chirality for residue 81 atoms: CA OG HB2 HB3 &rst iat=1213,1218,1216,1217, &end # # chirality for residue 81 atoms: N C HA CB &rst iat=1211,1220,1214,1215, &end # # chirality for residue 82 atoms: CA CG HB2 HB3 &rst iat=1224,1229,1227,1228, &end # # chirality for residue 82 atoms: N C HA CB &rst iat=1222,1238,1225,1226, &end # # chirality for residue 83 atoms: CA CG HB2 HB3 &rst iat=1242,1247,1245,1246, &end # # chirality for residue 83 atoms: CB CD1 CD2 HG &rst iat=1244,1249,1253,1248, &end # # chirality for residue 83 atoms: N C HA CB &rst iat=1240,1257,1243,1244, &end # # chirality for residue 84 atoms: CA CG1 CG2 HB &rst iat=1261,1265,1269,1264, &end # # chirality for residue 84 atoms: N C HA CB &rst iat=1259,1273,1262,1263, &end # # chirality for residue 86 atoms: N C HA CB &rst iat=1291,1299,1294,1295, &end # # chirality for residue 87 atoms: CA CG HB2 HB3 &rst iat=1303,1308,1306,1307, &end # # chirality for residue 87 atoms: CB CD1 CD2 HG &rst iat=1305,1310,1314,1309, &end # # chirality for residue 87 atoms: N C HA CB &rst iat=1301,1318,1304,1305, &end # # chirality for residue 88 atoms: CA CG HB2 HB3 &rst iat=1322,1327,1325,1326, &end # # chirality for residue 88 atoms: N C HA CB &rst iat=1320,1339,1323,1324, &end # # chirality for residue 89 atoms: CA CG HB2 HB3 &rst iat=1343,1348,1346,1347, &end # # chirality for residue 89 atoms: CB CD1 CD2 HG &rst iat=1345,1350,1354,1349, &end # # chirality for residue 89 atoms: N C HA CB &rst iat=1341,1358,1344,1345, &end # # chirality for residue 90 atoms: CA CG1 CG2 HB &rst iat=1362,1366,1370,1365, &end # # chirality for residue 90 atoms: N C HA CB &rst iat=1360,1374,1363,1364, &end # # chirality for residue 91 atoms: CA SG HB2 HB3 &rst iat=1378,1383,1381,1382, &end # # chirality for residue 91 atoms: N C HA CB &rst iat=1376,1384,1379,1380, &end # # chirality for residue 92 atoms: N C HA2 HA3 &rst iat=1386,1391,1389,1390, &end # # chirality for residue 94 atoms: CA CG HB2 HB3 &rst iat=1411,1416,1414,1415, &end # # chirality for residue 94 atoms: CB CD HG2 HG3 &rst iat=1413,1419,1417,1418, &end # # chirality for residue 94 atoms: CG NE HD2 HD3 &rst iat=1416,1422,1420,1421, &end # # chirality for residue 94 atoms: N C HA CB &rst iat=1409,1431,1412,1413, &end # # chirality for residue 95 atoms: N C HA2 HA3 &rst iat=1433,1438,1436,1437, &end # # chirality for residue 96 atoms: CA CG HB2 HB3 &rst iat=1442,1447,1445,1446, &end # # chirality for residue 96 atoms: N C HA CB &rst iat=1440,1458,1443,1444, &end # # chirality for residue 97 atoms: CA CG HB2 HB3 &rst iat=1462,1467,1465,1466, &end # # chirality for residue 97 atoms: N C HA CB &rst iat=1460,1478,1463,1464, &end # # chirality for residue 98 atoms: CA CG HB2 HB3 &rst iat=1482,1487,1485,1486, &end # # chirality for residue 98 atoms: N C HA CB &rst iat=1480,1499,1483,1484, &end # # chirality for residue 99 atoms: CA CG2 OG1 HB &rst iat=1503,1507,1511,1506, &end # # chirality for residue 99 atoms: N C HA CB &rst iat=1501,1513,1504,1505, &end # # chirality for residue 100 atoms: CA CG HB2 HB3 &rst iat=1525,1519,1523,1524, &end # # chirality for residue 100 atoms: CB CD HG2 HG3 &rst iat=1522,1516,1520,1521, &end # # chirality for residue 100 atoms: CG N HD2 HD3 &rst iat=1519,1515,1517,1518, &end # # chirality for residue 100 atoms: N C HA CB &rst iat=1515,1527,1526,1522, &end # # chirality for residue 101 atoms: CA CG HB2 HB3 &rst iat=1531,1536,1534,1535, &end # # chirality for residue 101 atoms: CB CD HG2 HG3 &rst iat=1533,1539,1537,1538, &end # # chirality for residue 101 atoms: CD NZ HE2 HE3 &rst iat=1539,1545,1543,1544, &end # # chirality for residue 101 atoms: CG CE HD2 HD3 &rst iat=1536,1542,1540,1541, &end # # chirality for residue 101 atoms: N C HA CB &rst iat=1529,1549,1532,1533, &end # # chirality for residue 102 atoms: N C HA CB &rst iat=1551,1559,1554,1555, &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=31,29,27,12, &end # # trans-omega constraint for residue 4 &rst iat=47,45,43,31, &end # # trans-omega constraint for residue 5 &rst iat=62,60,58,47, &end # # trans-omega constraint for residue 6 &rst iat=79,77,75,62, &end # # trans-omega constraint for residue 7 &rst iat=89,87,85,79, &end # # trans-omega constraint for residue 8 &rst iat=99,97,95,89, &end # # trans-omega constraint for residue 9 &rst iat=109,107,105,99, &end # # trans-omega constraint for residue 10 &rst iat=120,118,116,109, &end # # trans-omega constraint for residue 11 &rst iat=136,134,132,120, &end # # trans-omega constraint for residue 12 &rst iat=146,144,142,136, &end # # trans-omega constraint for residue 13 &rst iat=157,155,153,146, &end # # trans-omega constraint for residue 14 &rst iat=176,174,172,157, &end # # trans-omega constraint for residue 15 &rst iat=197,195,193,176, &end # # trans-omega constraint for residue 16 &rst iat=214,212,210,197, &end # # trans-omega constraint for residue 17 &rst iat=233,231,229,214, &end # # trans-omega constraint for residue 18 &rst iat=249,247,245,233, &end # # trans-omega constraint for residue 19 &rst iat=263,261,259,249, &end # # trans-omega constraint for residue 20 &rst iat=284,282,280,263, &end # # trans-omega constraint for residue 21 &rst iat=294,292,290,284, &end # # trans-omega constraint for residue 22 &rst iat=311,307,304,294, &end # # trans-omega constraint for residue 23 &rst iat=331,329,327,311, &end # # trans-omega constraint for residue 24 &rst iat=347,345,343,331, &end # # trans-omega constraint for residue 25 &rst iat=361,359,357,347, &end # # trans-omega constraint for residue 26 &rst iat=378,376,374,361, &end # # trans-omega constraint for residue 27 &rst iat=396,394,392,378, &end # # trans-omega constraint for residue 28 &rst iat=415,413,411,396, &end # # trans-omega constraint for residue 29 &rst iat=425,423,421,415, &end # # trans-omega constraint for residue 30 &rst iat=432,430,428,425, &end # # trans-omega constraint for residue 31 &rst iat=443,441,439,432, &end # # trans-omega constraint for residue 32 &rst iat=461,459,457,443, &end # # trans-omega constraint for residue 33 &rst iat=480,478,476,461, &end # # trans-omega constraint for residue 34 &rst iat=496,494,492,480, &end # # trans-omega constraint for residue 35 &rst iat=512,510,508,496, &end # # trans-omega constraint for residue 36 &rst iat=522,520,518,512, &end # # trans-omega constraint for residue 37 &rst iat=541,539,537,522, &end # # trans-omega constraint for residue 38 &rst iat=562,560,558,541, &end # # trans-omega constraint for residue 39 &rst iat=581,579,577,562, &end # # trans-omega constraint for residue 40 &rst iat=597,595,593,581, &end # # trans-omega constraint for residue 41 &rst iat=607,605,603,597, &end # # trans-omega constraint for residue 42 &rst iat=614,612,610,607, &end # # trans-omega constraint for residue 43 &rst iat=630,628,626,614, &end # # trans-omega constraint for residue 44 &rst iat=654,652,650,630, &end # # trans-omega constraint for residue 45 &rst iat=661,659,657,654, &end # # trans-omega constraint for residue 46 &rst iat=681,679,677,661, &end # # trans-omega constraint for residue 47 &rst iat=701,699,697,681, &end # # trans-omega constraint for residue 48 &rst iat=722,720,718,701, &end # # trans-omega constraint for residue 49 &rst iat=744,734,732,722, &end # # trans-omega constraint for residue 50 &rst iat=750,748,746,744, &end # # trans-omega constraint for residue 51 &rst iat=772,770,768,750, &end # # trans-omega constraint for residue 52 &rst iat=785,781,778,772, &end # # trans-omega constraint for residue 53 &rst iat=792,790,788,785, &end # # trans-omega constraint for residue 54 &rst iat=811,809,807,792, &end # # trans-omega constraint for residue 55 &rst iat=827,825,823,811, &end # # trans-omega constraint for residue 56 &rst iat=843,841,839,827, &end # # trans-omega constraint for residue 57 &rst iat=860,858,856,843, &end # # trans-omega constraint for residue 58 &rst iat=870,868,866,860, &end # # trans-omega constraint for residue 59 &rst iat=880,878,876,870, &end # # trans-omega constraint for residue 60 &rst iat=890,888,886,880, &end # # trans-omega constraint for residue 61 &rst iat=901,899,897,890, &end # # trans-omega constraint for residue 62 &rst iat=917,915,913,901, &end # # trans-omega constraint for residue 63 &rst iat=927,925,923,917, &end # # trans-omega constraint for residue 64 &rst iat=938,936,934,927, &end # # trans-omega constraint for residue 65 &rst iat=957,955,953,938, &end # # trans-omega constraint for residue 66 &rst iat=978,976,974,957, &end # # trans-omega constraint for residue 67 &rst iat=995,993,991,978, &end # # trans-omega constraint for residue 68 &rst iat=1014,1012,1010,995, &end # # trans-omega constraint for residue 69 &rst iat=1030,1028,1026,1014, &end # # trans-omega constraint for residue 70 &rst iat=1044,1042,1040,1030, &end # # trans-omega constraint for residue 71 &rst iat=1065,1063,1061,1044, &end # # trans-omega constraint for residue 72 &rst iat=1075,1073,1071,1065, &end # # trans-omega constraint for residue 73 &rst iat=1092,1088,1085,1075, &end # # trans-omega constraint for residue 74 &rst iat=1112,1110,1108,1092, &end # # trans-omega constraint for residue 75 &rst iat=1128,1126,1124,1112, &end # # trans-omega constraint for residue 76 &rst iat=1142,1140,1138,1128, &end # # trans-omega constraint for residue 77 &rst iat=1159,1157,1155,1142, &end # # trans-omega constraint for residue 78 &rst iat=1177,1175,1173,1159, &end # # trans-omega constraint for residue 79 &rst iat=1196,1194,1192,1177, &end # # trans-omega constraint for residue 80 &rst iat=1206,1204,1202,1196, &end # # trans-omega constraint for residue 81 &rst iat=1213,1211,1209,1206, &end # # trans-omega constraint for residue 82 &rst iat=1224,1222,1220,1213, &end # # trans-omega constraint for residue 83 &rst iat=1242,1240,1238,1224, &end # # trans-omega constraint for residue 84 &rst iat=1261,1259,1257,1242, &end # # trans-omega constraint for residue 85 &rst iat=1277,1275,1273,1261, &end # # trans-omega constraint for residue 86 &rst iat=1293,1291,1289,1277, &end # # trans-omega constraint for residue 87 &rst iat=1303,1301,1299,1293, &end # # trans-omega constraint for residue 88 &rst iat=1322,1320,1318,1303, &end # # trans-omega constraint for residue 89 &rst iat=1343,1341,1339,1322, &end # # trans-omega constraint for residue 90 &rst iat=1362,1360,1358,1343, &end # # trans-omega constraint for residue 91 &rst iat=1378,1376,1374,1362, &end # # trans-omega constraint for residue 92 &rst iat=1388,1386,1384,1378, &end # # trans-omega constraint for residue 93 &rst iat=1395,1393,1391,1388, &end # # trans-omega constraint for residue 94 &rst iat=1411,1409,1407,1395, &end # # trans-omega constraint for residue 95 &rst iat=1435,1433,1431,1411, &end # # trans-omega constraint for residue 96 &rst iat=1442,1440,1438,1435, &end # # trans-omega constraint for residue 97 &rst iat=1462,1460,1458,1442, &end # # trans-omega constraint for residue 98 &rst iat=1482,1480,1478,1462, &end # # trans-omega constraint for residue 99 &rst iat=1503,1501,1499,1482, &end # # trans-omega constraint for residue 100 &rst iat=1525,1515,1513,1503, &end # # trans-omega constraint for residue 101 &rst iat=1531,1529,1527,1525, &end # # trans-omega constraint for residue 102 &rst iat=1553,1551,1549,1531, &end