# crcn.noe.RST # # 15 ARG+ QD 15 ARG+ HA 2.30 &rst iat= -1, 220, r3= 2.57, r4= 3.07, r1 = 1.3, r2 = 1.8, rk2=0.0, rk3=32.0, ir6=1, igr1= 228, 229, 0, 0, igr2= 0, 0, 0, 0, &end # # 15 ARG+ QD 15 ARG+ QB 3.50 &rst iat= -1, -1, r3= 4.29, r4= 4.79, igr1= 228, 229, 0, 0, igr2= 222, 223, 0, 0, &end # # 17 GLN QG 17 GLN HA 3.50 &rst iat= -1, 256, r3= 3.88, r4= 4.38, igr1= 261, 262, 0, 0, igr2= 0, 0, 0, 0, &end # # 18 LYS+ HA 18 LYS+ QG 3.50 &rst iat= 273, -1, r3= 3.88, r4= 4.38, igr1= 0, 0, 0, 0, igr2= 278, 279, 0, 0, &end # # 21 ARG+ QG 21 ARG+ HA 2.30 &rst iat= -1, 324, r3= 2.57, r4= 3.07, igr1= 329, 330, 0, 0, igr2= 0, 0, 0, 0, &end # # 22 VAL QQG 22 VAL HA 3.50 &rst iat= 349, 348, r3= 5.70, r4= 6.20, &end # # 24 LEU QB 24 LEU HN 4.30 &rst iat= -1, 369, r3= 4.73, r4= 5.23, igr1= 373, 374, 0, 0, igr2= 0, 0, 0, 0, &end # # 24 LEU QQD 24 LEU HA 3.50 &rst iat= 375, 371, r3= 5.70, r4= 6.20, &end # # 24 LEU QQD 24 LEU QB 3.50 &rst iat= 375, -1, r3= 6.08, r4= 6.58, igr1= 0, 0, 0, 0, igr2= 373, 374, 0, 0, &end # # 25 THR QG2 25 THR HA 2.30 &rst iat= -1, 390, r3= 2.73, r4= 3.23, igr1= 394, 395, 396, 0, igr2= 0, 0, 0, 0, &end # # 25 THR QG2 25 THR HN 3.50 &rst iat= -1, 388, r3= 4.08, r4= 4.58, igr1= 394, 395, 396, 0, igr2= 0, 0, 0, 0, &end # # 27 GLU- HA 27 GLU- QG 2.30 &rst iat= 419, -1, r3= 2.57, r4= 3.07, igr1= 0, 0, 0, 0, igr2= 424, 425, 0, 0, &end # # 28 GLN QB 28 GLN HN 3.50 &rst iat= -1, 432, r3= 3.88, r4= 4.38, igr1= 436, 437, 0, 0, igr2= 0, 0, 0, 0, &end # # 28 GLN QG 28 GLN HA 3.50 &rst iat= -1, 434, r3= 3.88, r4= 4.38, igr1= 439, 440, 0, 0, igr2= 0, 0, 0, 0, &end # # 28 GLN QG 28 GLN HN 3.50 &rst iat= -1, 432, r3= 3.88, r4= 4.38, igr1= 439, 440, 0, 0, igr2= 0, 0, 0, 0, &end # # 29 LYS+ QB 29 LYS+ HN 2.30 &rst iat= -1, 449, r3= 2.57, r4= 3.07, igr1= 453, 454, 0, 0, igr2= 0, 0, 0, 0, &end # # 29 LYS+ QD 29 LYS+ HA 2.30 &rst iat= -1, 451, r3= 2.57, r4= 3.07, igr1= 459, 460, 0, 0, igr2= 0, 0, 0, 0, &end # # 30 GLN QB 30 GLN HN 3.50 &rst iat= -1, 471, r3= 3.88, r4= 4.38, igr1= 475, 476, 0, 0, igr2= 0, 0, 0, 0, &end # # 30 GLN QG 30 GLN HA 2.30 &rst iat= -1, 473, r3= 2.57, r4= 3.07, igr1= 478, 479, 0, 0, igr2= 0, 0, 0, 0, &end # # 30 GLN QG 30 GLN HN 3.50 &rst iat= -1, 471, r3= 3.88, r4= 4.38, igr1= 478, 479, 0, 0, igr2= 0, 0, 0, 0, &end # # 31 GLU- QB 31 GLU- HN 3.50 &rst iat= -1, 488, r3= 3.88, r4= 4.38, igr1= 492, 493, 0, 0, igr2= 0, 0, 0, 0, &end # # 31 GLU- QG 31 GLU- HA 2.30 &rst iat= -1, 490, r3= 2.57, r4= 3.07, igr1= 495, 496, 0, 0, igr2= 0, 0, 0, 0, &end # # 32 ILE HA 32 ILE QG1 3.50 &rst iat= 505, -1, r3= 3.88, r4= 4.38, igr1= 0, 0, 0, 0, igr2= 513, 514, 0, 0, &end # # 32 ILE HA 32 ILE QG2 3.50 &rst iat= 505, -1, r3= 4.08, r4= 4.58, igr1= 0, 0, 0, 0, igr2= 509, 510, 511, 0, &end # # 32 ILE HB 32 ILE HN 3.50 &rst iat= 507, 503, r3= 3.50, r4= 4.00, &end # # 32 ILE HB 32 ILE QD1 3.50 &rst iat= 507, -1, r3= 4.08, r4= 4.58, igr1= 0, 0, 0, 0, igr2= 516, 517, 518, 0, &end # # 32 ILE QD1 32 ILE HA 3.50 &rst iat= -1, 505, r3= 4.08, r4= 4.58, igr1= 516, 517, 518, 0, igr2= 0, 0, 0, 0, &end # # 32 ILE QD1 32 ILE HN 3.50 &rst iat= -1, 503, r3= 4.08, r4= 4.58, igr1= 516, 517, 518, 0, igr2= 0, 0, 0, 0, &end # # 32 ILE QG1 32 ILE HN 2.30 &rst iat= -1, 503, r3= 2.57, r4= 3.07, igr1= 513, 514, 0, 0, igr2= 0, 0, 0, 0, &end # # 32 ILE QG2 32 ILE HN 6.00 &rst iat= -1, 503, r3= 6.74, r4= 7.24, igr1= 509, 510, 511, 0, igr2= 0, 0, 0, 0, &end # # 34 GLU- QB 34 GLU- HN 3.50 &rst iat= -1, 546, r3= 3.88, r4= 4.38, igr1= 550, 551, 0, 0, igr2= 0, 0, 0, 0, &end # # 34 GLU- QG 34 GLU- HA 2.30 &rst iat= -1, 548, r3= 2.57, r4= 3.07, igr1= 553, 554, 0, 0, igr2= 0, 0, 0, 0, &end # # 34 GLU- QG 34 GLU- HN 3.50 &rst iat= -1, 546, r3= 3.88, r4= 4.38, igr1= 553, 554, 0, 0, igr2= 0, 0, 0, 0, &end # # 35 ALA QB 35 ALA HN 2.30 &rst iat= -1, 561, r3= 2.73, r4= 3.23, igr1= 565, 566, 567, 0, igr2= 0, 0, 0, 0, &end # # 36 PHE CG 36 PHE HA 6.00 &rst iat= -1, 573, r3= 6.69, r4= 7.19, igr1= 579, 587, 0, 0, igr2= 0, 0, 0, 0, &end # # 36 PHE CG 36 PHE QB 6.00 &rst iat= -1, -1, r3= 7.27, r4= 7.77, igr1= 579, 587, 0, 0, igr2= 575, 576, 0, 0, &end # # 36 PHE HN 36 PHE CG 4.40 &rst iat= 571, -1, r3= 4.92, r4= 5.42, igr1= 0, 0, 0, 0, igr2= 579, 587, 0, 0, &end # # 36 PHE QB 36 PHE HN 3.50 &rst iat= -1, 571, r3= 3.88, r4= 4.38, igr1= 575, 576, 0, 0, igr2= 0, 0, 0, 0, &end # # 37 ASP- QB 37 ASP- HN 2.30 &rst iat= -1, 591, r3= 2.57, r4= 3.07, igr1= 595, 596, 0, 0, igr2= 0, 0, 0, 0, &end # # 38 LEU HA 38 LEU QD1 2.30 &rst iat= 605, -1, r3= 2.73, r4= 3.23, igr1= 0, 0, 0, 0, igr2= 612, 613, 614, 0, &end # # 38 LEU QB 38 LEU HN 2.30 &rst iat= -1, 603, r3= 2.57, r4= 3.07, igr1= 607, 608, 0, 0, igr2= 0, 0, 0, 0, &end # # 39 PHE CG 39 PHE HA 6.00 &rst iat= -1, 624, r3= 6.69, r4= 7.19, igr1= 630, 638, 0, 0, igr2= 0, 0, 0, 0, &end # # 39 PHE CG 39 PHE QB 6.00 &rst iat= -1, -1, r3= 7.27, r4= 7.77, igr1= 630, 638, 0, 0, igr2= 626, 627, 0, 0, &end # # 40 ASP- QB 40 ASP- HN 3.50 &rst iat= -1, 642, r3= 3.88, r4= 4.38, igr1= 646, 647, 0, 0, igr2= 0, 0, 0, 0, &end # # 41 THR HB 41 THR HN 3.50 &rst iat= 658, 654, r3= 3.50, r4= 4.00, &end # # 41 THR QG2 41 THR HA 2.30 &rst iat= -1, 656, r3= 2.73, r4= 3.23, igr1= 660, 661, 662, 0, igr2= 0, 0, 0, 0, &end # # 41 THR QG2 41 THR HN 3.50 &rst iat= -1, 654, r3= 4.08, r4= 4.58, igr1= 660, 661, 662, 0, igr2= 0, 0, 0, 0, &end # # 42 ASP- QB 42 ASP- HN 3.50 &rst iat= -1, 668, r3= 3.88, r4= 4.38, igr1= 672, 673, 0, 0, igr2= 0, 0, 0, 0, &end # # 44 SER QB 44 SER HN 3.50 &rst iat= -1, 687, r3= 3.88, r4= 4.38, igr1= 691, 692, 0, 0, igr2= 0, 0, 0, 0, &end # # 46 THR HA 46 THR QG2 6.00 &rst iat= 707, -1, r3= 6.74, r4= 7.24, igr1= 0, 0, 0, 0, igr2= 711, 712, 713, 0, &end # # 47 ILE HA 47 ILE QD1 6.00 &rst iat= 721, -1, r3= 6.74, r4= 7.24, igr1= 0, 0, 0, 0, igr2= 732, 733, 734, 0, &end # # 47 ILE HB 47 ILE HN 3.50 &rst iat= 723, 719, r3= 3.50, r4= 4.00, &end # # 47 ILE QD1 47 ILE HB 3.50 &rst iat= -1, 723, r3= 4.08, r4= 4.58, igr1= 732, 733, 734, 0, igr2= 0, 0, 0, 0, &end # # 47 ILE QG1 47 ILE HA 3.50 &rst iat= -1, 721, r3= 3.88, r4= 4.38, igr1= 729, 730, 0, 0, igr2= 0, 0, 0, 0, &end # # 47 ILE QG2 47 ILE HA 3.50 &rst iat= -1, 721, r3= 4.08, r4= 4.58, igr1= 725, 726, 727, 0, igr2= 0, 0, 0, 0, &end # # 49 ALA QB 49 ALA HN 2.30 &rst iat= -1, 750, r3= 2.73, r4= 3.23, igr1= 754, 755, 756, 0, igr2= 0, 0, 0, 0, &end # # 50 LYS+ QB 50 LYS+ HN 2.30 &rst iat= -1, 760, r3= 2.57, r4= 3.07, igr1= 764, 765, 0, 0, igr2= 0, 0, 0, 0, &end # # 50 LYS+ QD 50 LYS+ HA 2.30 &rst iat= -1, 762, r3= 2.57, r4= 3.07, igr1= 770, 771, 0, 0, igr2= 0, 0, 0, 0, &end # # 51 GLU- QB 51 GLU- HN 3.50 &rst iat= -1, 782, r3= 3.88, r4= 4.38, igr1= 786, 787, 0, 0, igr2= 0, 0, 0, 0, &end # # 51 GLU- QG 51 GLU- HN 3.50 &rst iat= -1, 782, r3= 3.88, r4= 4.38, igr1= 789, 790, 0, 0, igr2= 0, 0, 0, 0, &end # # 52 LEU HA 52 LEU HG 2.30 &rst iat= 799, 804, r3= 2.30, r4= 2.80, &end # # 52 LEU QB 52 LEU HN 3.50 &rst iat= -1, 797, r3= 3.88, r4= 4.38, igr1= 801, 802, 0, 0, igr2= 0, 0, 0, 0, &end # # 52 LEU QQD 52 LEU HA 3.50 &rst iat= 803, 799, r3= 5.70, r4= 6.20, &end # # 52 LEU QQD 52 LEU QB 3.50 &rst iat= 803, -1, r3= 6.08, r4= 6.58, igr1= 0, 0, 0, 0, igr2= 801, 802, 0, 0, &end # # 53 LYS+ HA 53 LYS+ QD 3.50 &rst iat= 818, -1, r3= 3.88, r4= 4.38, igr1= 0, 0, 0, 0, igr2= 826, 827, 0, 0, &end # # 53 LYS+ HA 53 LYS+ QG 3.50 &rst iat= 818, -1, r3= 3.88, r4= 4.38, igr1= 0, 0, 0, 0, igr2= 823, 824, 0, 0, &end # # 53 LYS+ QB 53 LYS+ HN 2.30 &rst iat= -1, 816, r3= 2.57, r4= 3.07, igr1= 820, 821, 0, 0, igr2= 0, 0, 0, 0, &end # # 54 VAL HB 54 VAL HN 2.30 &rst iat= 842, 838, r3= 2.30, r4= 2.80, &end # # 54 VAL QG1 54 VAL HA 2.30 &rst iat= -1, 840, r3= 2.73, r4= 3.23, igr1= 844, 845, 846, 0, igr2= 0, 0, 0, 0, &end # # 54 VAL QG1 54 VAL HN 2.30 &rst iat= -1, 838, r3= 2.73, r4= 3.23, igr1= 844, 845, 846, 0, igr2= 0, 0, 0, 0, &end # # 54 VAL QG2 54 VAL HA 3.50 &rst iat= -1, 840, r3= 4.08, r4= 4.58, igr1= 848, 849, 850, 0, igr2= 0, 0, 0, 0, &end # # 54 VAL QG2 54 VAL HN 3.50 &rst iat= -1, 838, r3= 4.08, r4= 4.58, igr1= 848, 849, 850, 0, igr2= 0, 0, 0, 0, &end # # 55 ALA QB 55 ALA HN 3.50 &rst iat= -1, 854, r3= 4.08, r4= 4.58, igr1= 858, 859, 860, 0, igr2= 0, 0, 0, 0, &end # # 56 MET QB 56 MET HN 4.30 &rst iat= -1, 864, r3= 4.73, r4= 5.23, igr1= 868, 869, 0, 0, igr2= 0, 0, 0, 0, &end # # 56 MET QG 56 MET HN 3.50 &rst iat= -1, 864, r3= 3.88, r4= 4.38, igr1= 871, 872, 0, 0, igr2= 0, 0, 0, 0, &end # # 57 ARG+ HA 57 ARG+ QG 2.30 &rst iat= 885, -1, r3= 2.57, r4= 3.07, igr1= 0, 0, 0, 0, igr2= 890, 891, 0, 0, &end # # 57 ARG+ QB 57 ARG+ HN 3.50 &rst iat= -1, 883, r3= 3.88, r4= 4.38, igr1= 887, 888, 0, 0, igr2= 0, 0, 0, 0, &end # # 57 ARG+ QD 57 ARG+ HA 3.50 &rst iat= -1, 885, r3= 3.88, r4= 4.38, igr1= 893, 894, 0, 0, igr2= 0, 0, 0, 0, &end # # 57 ARG+ QD 57 ARG+ QB 2.30 &rst iat= -1, -1, r3= 2.87, r4= 3.37, igr1= 893, 894, 0, 0, igr2= 887, 888, 0, 0, &end # # 58 ALA QB 58 ALA HN 2.30 &rst iat= -1, 907, r3= 2.73, r4= 3.23, igr1= 911, 912, 913, 0, igr2= 0, 0, 0, 0, &end # # 59 LEU QB 59 LEU QD1 3.50 &rst iat= -1, -1, r3= 4.50, r4= 5.00, igr1= 921, 922, 0, 0, igr2= 926, 927, 928, 0, &end # # 59 LEU QD1 59 LEU HA 3.50 &rst iat= -1, 919, r3= 4.08, r4= 4.58, igr1= 926, 927, 928, 0, igr2= 0, 0, 0, 0, &end # # 59 LEU QD2 59 LEU HA 2.30 &rst iat= -1, 919, r3= 2.73, r4= 3.23, igr1= 930, 931, 932, 0, igr2= 0, 0, 0, 0, &end # # 59 LEU QD2 59 LEU HN 3.50 &rst iat= -1, 917, r3= 4.08, r4= 4.58, igr1= 930, 931, 932, 0, igr2= 0, 0, 0, 0, &end # # 59 LEU QD2 59 LEU QB 2.30 &rst iat= -1, -1, r3= 3.04, r4= 3.54, igr1= 930, 931, 932, 0, igr2= 921, 922, 0, 0, &end # # 61 PHE CG 61 PHE HA 6.00 &rst iat= -1, 945, r3= 6.69, r4= 7.19, igr1= 951, 959, 0, 0, igr2= 0, 0, 0, 0, &end # # 61 PHE CG 61 PHE QB 6.00 &rst iat= -1, -1, r3= 7.27, r4= 7.77, igr1= 951, 959, 0, 0, igr2= 947, 948, 0, 0, &end # # 66 GLU- QG 66 GLU- HA 2.30 &rst iat= -1,1038, r3= 2.57, r4= 3.07, igr1=1043,1044, 0, 0, igr2= 0, 0, 0, 0, &end # # 68 ILE HA 68 ILE QD1 3.50 &rst iat=1068, -1, r3= 4.08, r4= 4.58, igr1= 0, 0, 0, 0, igr2=1079,1080,1081, 0, &end # # 68 ILE HA 68 ILE QG2 3.50 &rst iat=1068, -1, r3= 4.08, r4= 4.58, igr1= 0, 0, 0, 0, igr2=1072,1073,1074, 0, &end # # 68 ILE HB 68 ILE HN 3.50 &rst iat=1070,1066, r3= 3.50, r4= 4.00, &end # # 68 ILE HB 68 ILE QD1 3.50 &rst iat=1070, -1, r3= 4.08, r4= 4.58, igr1= 0, 0, 0, 0, igr2=1079,1080,1081, 0, &end # # 68 ILE QG1 68 ILE HA 3.50 &rst iat= -1,1068, r3= 3.88, r4= 4.38, igr1=1076,1077, 0, 0, igr2= 0, 0, 0, 0, &end # # 68 ILE QG1 68 ILE HN 4.30 &rst iat= -1,1066, r3= 4.73, r4= 5.23, igr1=1076,1077, 0, 0, igr2= 0, 0, 0, 0, &end # # 68 ILE QG2 68 ILE HN 3.50 &rst iat= -1,1066, r3= 4.08, r4= 4.58, igr1=1072,1073,1074, 0, igr2= 0, 0, 0, 0, &end # # 71 MET QB 71 MET HN 3.50 &rst iat= -1,1129, r3= 3.88, r4= 4.38, igr1=1133,1134, 0, 0, igr2= 0, 0, 0, 0, &end # # 72 ILE HA 72 ILE QG1 3.50 &rst iat=1150, -1, r3= 3.88, r4= 4.38, igr1= 0, 0, 0, 0, igr2=1158,1159, 0, 0, &end # # 72 ILE HB 72 ILE HN 3.50 &rst iat=1152,1148, r3= 3.50, r4= 4.00, &end # # 72 ILE QD1 72 ILE HA 3.50 &rst iat= -1,1150, r3= 4.08, r4= 4.58, igr1=1161,1162,1163, 0, igr2= 0, 0, 0, 0, &end # # 72 ILE QD1 72 ILE HN 4.30 &rst iat= -1,1148, r3= 4.94, r4= 5.44, igr1=1161,1162,1163, 0, igr2= 0, 0, 0, 0, &end # # 72 ILE QG1 72 ILE HN 3.50 &rst iat= -1,1148, r3= 3.88, r4= 4.38, igr1=1158,1159, 0, 0, igr2= 0, 0, 0, 0, &end # # 72 ILE QG2 72 ILE HA 3.50 &rst iat= -1,1150, r3= 4.08, r4= 4.58, igr1=1154,1155,1156, 0, igr2= 0, 0, 0, 0, &end # # 72 ILE QG2 72 ILE HN 3.50 &rst iat= -1,1148, r3= 4.08, r4= 4.58, igr1=1154,1155,1156, 0, igr2= 0, 0, 0, 0, &end # # 73 SER QB 73 SER HN 3.50 &rst iat= -1,1167, r3= 3.88, r4= 4.38, igr1=1171,1172, 0, 0, igr2= 0, 0, 0, 0, &end # # 74 GLU- QB 74 GLU- HN 3.50 &rst iat= -1,1178, r3= 3.88, r4= 4.38, igr1=1182,1183, 0, 0, igr2= 0, 0, 0, 0, &end # # 74 GLU- QG 74 GLU- HA 2.30 &rst iat= -1,1180, r3= 2.57, r4= 3.07, igr1=1185,1186, 0, 0, igr2= 0, 0, 0, 0, &end # # 74 GLU- QG 74 GLU- HN 3.50 &rst iat= -1,1178, r3= 3.88, r4= 4.38, igr1=1185,1186, 0, 0, igr2= 0, 0, 0, 0, &end # # 75 ILE HA 75 ILE QG1 3.50 &rst iat=1195, -1, r3= 3.88, r4= 4.38, igr1= 0, 0, 0, 0, igr2=1203,1204, 0, 0, &end # # 75 ILE HB 75 ILE HN 3.50 &rst iat=1197,1193, r3= 3.50, r4= 4.00, &end # # 75 ILE HB 75 ILE QD1 3.50 &rst iat=1197, -1, r3= 4.08, r4= 4.58, igr1= 0, 0, 0, 0, igr2=1206,1207,1208, 0, &end # # 75 ILE QD1 75 ILE HA 3.50 &rst iat= -1,1195, r3= 4.08, r4= 4.58, igr1=1206,1207,1208, 0, igr2= 0, 0, 0, 0, &end # # 75 ILE QD1 75 ILE HN 3.50 &rst iat= -1,1193, r3= 4.08, r4= 4.58, igr1=1206,1207,1208, 0, igr2= 0, 0, 0, 0, &end # # 75 ILE QG2 75 ILE HA 3.50 &rst iat= -1,1195, r3= 4.08, r4= 4.58, igr1=1199,1200,1201, 0, igr2= 0, 0, 0, 0, &end # # 75 ILE QG2 75 ILE HN 3.50 &rst iat= -1,1193, r3= 4.08, r4= 4.58, igr1=1199,1200,1201, 0, igr2= 0, 0, 0, 0, &end # # 76 ASP- QB 76 ASP- HN 3.50 &rst iat= -1,1212, r3= 3.88, r4= 4.38, igr1=1216,1217, 0, 0, igr2= 0, 0, 0, 0, &end # # 78 ASP- QB 78 ASP- HN 3.50 &rst iat= -1,1246, r3= 3.88, r4= 4.38, igr1=1250,1251, 0, 0, igr2= 0, 0, 0, 0, &end # # 82 THR QG2 82 THR HA 2.30 &rst iat= -1,1285, r3= 2.73, r4= 3.23, igr1=1289,1290,1291, 0, igr2= 0, 0, 0, 0, &end # # 83 ILE HA 83 ILE QD1 6.00 &rst iat=1299, -1, r3= 6.74, r4= 7.24, igr1= 0, 0, 0, 0, igr2=1310,1311,1312, 0, &end # # 83 ILE HA 83 ILE QG2 6.00 &rst iat=1299, -1, r3= 6.74, r4= 7.24, igr1= 0, 0, 0, 0, igr2=1303,1304,1305, 0, &end # # 83 ILE HB 83 ILE HN 3.50 &rst iat=1301,1297, r3= 3.50, r4= 4.00, &end # # 83 ILE QD1 83 ILE HB 3.50 &rst iat= -1,1301, r3= 4.08, r4= 4.58, igr1=1310,1311,1312, 0, igr2= 0, 0, 0, 0, &end # # 85 PHE CG 85 PHE HA 6.00 &rst iat= -1,1330, r3= 6.69, r4= 7.19, igr1=1336,1344, 0, 0, igr2= 0, 0, 0, 0, &end # # 85 PHE CG 85 PHE QB 6.00 &rst iat= -1, -1, r3= 7.27, r4= 7.77, igr1=1336,1344, 0, 0, igr2=1332,1333, 0, 0, &end # # 85 PHE QB 85 PHE HN 3.50 &rst iat= -1,1328, r3= 3.88, r4= 4.38, igr1=1332,1333, 0, 0, igr2= 0, 0, 0, 0, &end # # 86 GLU- HA 86 GLU- QG 3.50 &rst iat=1350, -1, r3= 3.88, r4= 4.38, igr1= 0, 0, 0, 0, igr2=1355,1356, 0, 0, &end # # 86 GLU- QB 86 GLU- HN 2.30 &rst iat= -1,1348, r3= 2.57, r4= 3.07, igr1=1352,1353, 0, 0, igr2= 0, 0, 0, 0, &end # # 86 GLU- QG 86 GLU- HN 3.50 &rst iat= -1,1348, r3= 3.88, r4= 4.38, igr1=1355,1356, 0, 0, igr2= 0, 0, 0, 0, &end # # 88 PHE QB 88 PHE CG 3.50 &rst iat= -1, -1, r3= 4.34, r4= 4.84, igr1=1382,1383, 0, 0, igr2=1386,1394, 0, 0, &end # # 88 PHE QB 88 PHE HN 2.30 &rst iat= -1,1378, r3= 2.57, r4= 3.07, igr1=1382,1383, 0, 0, igr2= 0, 0, 0, 0, &end # # 89 LEU HA 89 LEU QQD 3.50 &rst iat=1400,1404, r3= 5.70, r4= 6.20, &end # # 89 LEU QB 89 LEU HN 3.50 &rst iat= -1,1398, r3= 3.88, r4= 4.38, igr1=1402,1403, 0, 0, igr2= 0, 0, 0, 0, &end # # 89 LEU QB 89 LEU QQD 3.50 &rst iat= -1,1404, r3= 6.08, r4= 6.58, igr1=1402,1403, 0, 0, igr2= 0, 0, 0, 0, &end # # 90 THR HA 90 THR QG2 3.50 &rst iat=1419, -1, r3= 4.08, r4= 4.58, igr1= 0, 0, 0, 0, igr2=1423,1424,1425, 0, &end # # 90 THR HB 90 THR HN 3.50 &rst iat=1421,1417, r3= 3.50, r4= 4.00, &end # # 90 THR QG2 90 THR HN 3.50 &rst iat= -1,1417, r3= 4.08, r4= 4.58, igr1=1423,1424,1425, 0, igr2= 0, 0, 0, 0, &end # # 91 MET QG 91 MET HA 3.50 &rst iat= -1,1433, r3= 3.88, r4= 4.38, igr1=1438,1439, 0, 0, igr2= 0, 0, 0, 0, &end # # 93 THR HA 93 THR QG2 3.50 &rst iat=1471, -1, r3= 4.08, r4= 4.58, igr1= 0, 0, 0, 0, igr2=1475,1476,1477, 0, &end # # 93 THR HB 93 THR HN 3.50 &rst iat=1473,1469, r3= 3.50, r4= 4.00, &end # # 93 THR QG2 93 THR HN 3.50 &rst iat= -1,1469, r3= 4.08, r4= 4.58, igr1=1475,1476,1477, 0, igr2= 0, 0, 0, 0, &end # # 94 ALA QB 94 ALA HN 2.30 &rst iat= -1,1483, r3= 2.73, r4= 3.23, igr1=1487,1488,1489, 0, igr2= 0, 0, 0, 0, &end # # 26 GLU- HA 27 GLU- HN 3.50 &rst iat= 404, 417, r3= 3.50, r4= 4.00, &end # # 27 GLU- HN 26 GLU- HN 4.40 &rst iat= 417, 402, r3= 4.40, r4= 4.90, &end # # 28 GLN HN 27 GLU- HN 2.80 &rst iat= 432, 417, r3= 2.80, r4= 3.30, &end # # 29 LYS+ HN 28 GLN HN 2.80 &rst iat= 449, 432, r3= 2.80, r4= 3.30, &end # # 30 GLN HN 29 LYS+ HN 2.80 &rst iat= 471, 449, r3= 2.80, r4= 3.30, &end # # 30 GLN HN 31 GLU- HN 2.80 &rst iat= 471, 488, r3= 2.80, r4= 3.30, &end # # 32 ILE HN 31 GLU- HN 2.80 &rst iat= 503, 488, r3= 2.80, r4= 3.30, &end # # 32 ILE HA 33 ARG+ HN 3.50 &rst iat= 505, 522, r3= 3.50, r4= 4.00, &end # # 32 ILE HB 33 ARG+ HN 3.50 &rst iat= 507, 522, r3= 3.50, r4= 4.00, &end # # 33 ARG+ HN 32 ILE HN 2.80 &rst iat= 522, 503, r3= 2.80, r4= 3.30, &end # # 34 GLU- HN 33 ARG+ HN 2.80 &rst iat= 546, 522, r3= 2.80, r4= 3.30, &end # # 35 ALA HN 34 GLU- HN 2.80 &rst iat= 561, 546, r3= 2.80, r4= 3.30, &end # # 35 ALA HA 36 PHE HN 3.50 &rst iat= 563, 571, r3= 3.50, r4= 4.00, &end # # 35 ALA QB 36 PHE HN 3.50 &rst iat= -1, 571, r3= 4.08, r4= 4.58, igr1= 565, 566, 567, 0, igr2= 0, 0, 0, 0, &end # # 36 PHE HN 35 ALA HN 2.80 &rst iat= 571, 561, r3= 2.80, r4= 3.30, &end # # 37 ASP- QB 38 LEU HN 3.50 &rst iat= -1, 603, r3= 3.88, r4= 4.38, igr1= 595, 596, 0, 0, igr2= 0, 0, 0, 0, &end # # 38 LEU HN 37 ASP- HN 2.80 &rst iat= 603, 591, r3= 2.80, r4= 3.30, &end # # 39 PHE HN 38 LEU HN 2.80 &rst iat= 622, 603, r3= 2.80, r4= 3.30, &end # # 46 THR HN 45 GLY HN 2.80 &rst iat= 705, 698, r3= 2.80, r4= 3.30, &end # # 46 THR HN 45 GLY QA 3.50 &rst iat= 705, -1, r3= 3.88, r4= 4.38, igr1= 0, 0, 0, 0, igr2= 700, 701, 0, 0, &end # # 46 THR HB 47 ILE HN 3.50 &rst iat= 709, 719, r3= 3.50, r4= 4.00, &end # # 46 THR HN 47 ILE HN 4.40 &rst iat= 705, 719, r3= 4.40, r4= 4.90, &end # # 47 ILE HN 46 THR HA 2.80 &rst iat= 719, 707, r3= 2.80, r4= 3.30, &end # # 48 ASP- HN 47 ILE HA 2.80 &rst iat= 738, 721, r3= 2.80, r4= 3.30, &end # # 48 ASP- HN 47 ILE HB 4.40 &rst iat= 738, 723, r3= 4.40, r4= 4.90, &end # # 48 ASP- HN 47 ILE HN 4.40 &rst iat= 738, 719, r3= 4.40, r4= 4.90, &end # # 48 ASP- HA 49 ALA HN 3.50 &rst iat= 740, 750, r3= 3.50, r4= 4.00, &end # # 48 ASP- HN 49 ALA HN 4.40 &rst iat= 738, 750, r3= 4.40, r4= 4.90, &end # # 49 ALA HN 48 ASP- QB 2.80 &rst iat= 750, -1, r3= 3.12, r4= 3.62, igr1= 0, 0, 0, 0, igr2= 742, 743, 0, 0, &end # # 49 ALA QB 50 LYS+ HN 3.50 &rst iat= -1, 760, r3= 4.08, r4= 4.58, igr1= 754, 755, 756, 0, igr2= 0, 0, 0, 0, &end # # 50 LYS+ HN 49 ALA HN 2.80 &rst iat= 760, 750, r3= 2.80, r4= 3.30, &end # # 50 LYS+ QB 51 GLU- HN 3.50 &rst iat= -1, 782, r3= 3.88, r4= 4.38, igr1= 764, 765, 0, 0, igr2= 0, 0, 0, 0, &end # # 51 GLU- HN 50 LYS+ HN 2.80 &rst iat= 782, 760, r3= 2.80, r4= 3.30, &end # # 51 GLU- QB 52 LEU HN 6.00 &rst iat= -1, 797, r3= 6.52, r4= 7.02, igr1= 786, 787, 0, 0, igr2= 0, 0, 0, 0, &end # # 52 LEU HN 51 GLU- HN 2.80 &rst iat= 797, 782, r3= 2.80, r4= 3.30, &end # # 52 LEU QB 53 LYS+ HN 3.50 &rst iat= -1, 816, r3= 3.88, r4= 4.38, igr1= 801, 802, 0, 0, igr2= 0, 0, 0, 0, &end # # 53 LYS+ HN 52 LEU HN 3.50 &rst iat= 816, 797, r3= 3.50, r4= 4.00, &end # # 53 LYS+ HN 54 VAL HN 2.80 &rst iat= 816, 838, r3= 2.80, r4= 3.30, &end # # 55 ALA HN 56 MET HN 2.80 &rst iat= 854, 864, r3= 2.80, r4= 3.30, &end # # 55 ALA QB 56 MET HN 3.50 &rst iat= -1, 864, r3= 4.08, r4= 4.58, igr1= 858, 859, 860, 0, igr2= 0, 0, 0, 0, &end # # 57 ARG+ HN 56 MET HN 3.50 &rst iat= 883, 864, r3= 3.50, r4= 4.00, &end # # 59 LEU HN 58 ALA HN 2.80 &rst iat= 917, 907, r3= 2.80, r4= 3.30, &end # # 71 MET HN 70 LYS+ HN 2.80 &rst iat=1129,1107, r3= 2.80, r4= 3.30, &end # # 71 MET HN 72 ILE HN 3.50 &rst iat=1129,1148, r3= 3.50, r4= 4.00, &end # # 72 ILE HA 73 SER HN 3.50 &rst iat=1150,1167, r3= 3.50, r4= 4.00, &end # # 72 ILE HB 73 SER HN 3.50 &rst iat=1152,1167, r3= 3.50, r4= 4.00, &end # # 73 SER HN 72 ILE HN 2.80 &rst iat=1167,1148, r3= 2.80, r4= 3.30, &end # # 74 GLU- HN 73 SER HN 2.80 &rst iat=1178,1167, r3= 2.80, r4= 3.30, &end # # 75 ILE HN 76 ASP- HN 2.80 &rst iat=1193,1212, r3= 2.80, r4= 3.30, &end # # 82 THR HN 81 GLY HN 2.80 &rst iat=1283,1276, r3= 2.80, r4= 3.30, &end # # 82 THR HN 81 GLY QA 3.50 &rst iat=1283, -1, r3= 3.88, r4= 4.38, igr1= 0, 0, 0, 0, igr2=1278,1279, 0, 0, &end # # 82 THR HB 83 ILE HN 3.50 &rst iat=1287,1297, r3= 3.50, r4= 4.00, &end # # 82 THR HN 83 ILE HN 4.40 &rst iat=1283,1297, r3= 4.40, r4= 4.90, &end # # 83 ILE HN 82 THR HA 2.80 &rst iat=1297,1285, r3= 2.80, r4= 3.30, &end # # 84 ASP- HN 83 ILE HA 2.80 &rst iat=1316,1299, r3= 2.80, r4= 3.30, &end # # 84 ASP- HN 83 ILE HN 4.40 &rst iat=1316,1297, r3= 4.40, r4= 4.90, &end # # 84 ASP- HA 85 PHE HN 3.50 &rst iat=1318,1328, r3= 3.50, r4= 4.00, &end # # 84 ASP- HN 85 PHE HN 4.40 &rst iat=1316,1328, r3= 4.40, r4= 4.90, &end # # 85 PHE HN 84 ASP- QB 2.80 &rst iat=1328, -1, r3= 3.12, r4= 3.62, igr1= 0, 0, 0, 0, igr2=1320,1321, 0, 0, &end # # 85 PHE HA 86 GLU- HN 4.30 &rst iat=1330,1348, r3= 4.30, r4= 4.80, &end # # 85 PHE HN 86 GLU- HN 3.50 &rst iat=1328,1348, r3= 3.50, r4= 4.00, &end # # 85 PHE QB 86 GLU- HN 4.30 &rst iat= -1,1348, r3= 4.73, r4= 5.23, igr1=1332,1333, 0, 0, igr2= 0, 0, 0, 0, &end # # 86 GLU- HA 87 GLU- HN 4.30 &rst iat=1350,1363, r3= 4.30, r4= 4.80, &end # # 87 GLU- HN 86 GLU- HN 2.80 &rst iat=1363,1348, r3= 2.80, r4= 3.30, &end # # 88 PHE HN 87 GLU- HN 2.80 &rst iat=1378,1363, r3= 2.80, r4= 3.30, &end # # 88 PHE QB 89 LEU HG 3.50 &rst iat= -1,1405, r3= 3.88, r4= 4.38, igr1=1382,1383, 0, 0, igr2= 0, 0, 0, 0, &end # # 90 THR HN 89 LEU HN 2.80 &rst iat=1417,1398, r3= 2.80, r4= 3.30, &end # # 90 THR HN 91 MET HN 2.80 &rst iat=1417,1431, r3= 2.80, r4= 3.30, &end # # 91 MET HA 92 MET HN 3.50 &rst iat=1433,1450, r3= 3.50, r4= 4.00, &end # # 92 MET HN 91 MET HN 2.80 &rst iat=1450,1431, r3= 2.80, r4= 3.30, &end # # 93 THR HN 92 MET HN 3.50 &rst iat=1469,1450, r3= 3.50, r4= 4.00, &end # # 93 THR HA 94 ALA HN 4.30 &rst iat=1471,1483, r3= 4.30, r4= 4.80, &end # # 94 ALA HN 93 THR HN 2.80 &rst iat=1483,1469, r3= 2.80, r4= 3.30, &end # # 26 GLU- HA 29 LYS+ HN 3.50 &rst iat= 404, 449, r3= 3.50, r4= 4.00, &end # # 27 GLU- HA 30 GLN HN 3.50 &rst iat= 419, 471, r3= 3.50, r4= 4.00, &end # # 29 LYS+ HA 32 ILE HN 3.50 &rst iat= 451, 503, r3= 3.50, r4= 4.00, &end # # 32 ILE HN 28 GLN HA 2.80 &rst iat= 503, 434, r3= 2.80, r4= 3.30, &end # # 32 ILE HB 29 LYS+ HA 3.50 &rst iat= 507, 451, r3= 3.50, r4= 4.00, &end # # 32 ILE HA 35 ALA HN 3.50 &rst iat= 505, 561, r3= 3.50, r4= 4.00, &end # # 35 ALA HN 33 ARG+ HA 3.50 &rst iat= 561, 524, r3= 3.50, r4= 4.00, &end # # 35 ALA HA 38 LEU HN 3.50 &rst iat= 563, 603, r3= 3.50, r4= 4.00, &end # # 36 PHE HN 33 ARG+ HA 3.50 &rst iat= 571, 524, r3= 3.50, r4= 4.00, &end # # 37 ASP- HN 34 GLU- HA 3.50 &rst iat= 591, 548, r3= 3.50, r4= 4.00, &end # # 37 ASP- HN 35 ALA HA 4.40 &rst iat= 591, 563, r3= 4.40, r4= 4.90, &end # # 38 LEU HN 34 GLU- HA 4.40 &rst iat= 603, 548, r3= 4.40, r4= 4.90, &end # # 38 LEU HN 36 PHE HA 4.40 &rst iat= 603, 573, r3= 4.40, r4= 4.90, &end # # 39 PHE HN 35 ALA HA 3.50 &rst iat= 622, 563, r3= 3.50, r4= 4.00, &end # # 39 PHE HN 36 PHE HA 4.40 &rst iat= 622, 573, r3= 4.40, r4= 4.90, &end # # 49 ALA HA 52 LEU HN 6.00 &rst iat= 752, 797, r3= 6.00, r4= 6.50, &end # # 49 ALA HA 52 LEU QB 3.50 &rst iat= 752, -1, r3= 3.88, r4= 4.38, igr1= 0, 0, 0, 0, igr2= 801, 802, 0, 0, &end # # 51 GLU- HN 49 ALA HA 4.40 &rst iat= 782, 752, r3= 4.40, r4= 4.90, &end # # 52 LEU HA 55 ALA HN 3.50 &rst iat= 799, 854, r3= 3.50, r4= 4.00, &end # # 53 LYS+ HN 49 ALA HA 3.50 &rst iat= 816, 752, r3= 3.50, r4= 4.00, &end # # 53 LYS+ HN 50 LYS+ HA 3.50 &rst iat= 816, 762, r3= 3.50, r4= 4.00, &end # # 54 VAL HN 51 GLU- HA 4.40 &rst iat= 838, 784, r3= 4.40, r4= 4.90, &end # # 55 ALA HN 51 GLU- HA 4.40 &rst iat= 854, 784, r3= 4.40, r4= 4.90, &end # # 55 ALA HA 58 ALA HN 6.00 &rst iat= 856, 907, r3= 6.00, r4= 6.50, &end # # 55 ALA HA 58 ALA QB 3.50 &rst iat= 856, -1, r3= 4.08, r4= 4.58, igr1= 0, 0, 0, 0, igr2= 911, 912, 913, 0, &end # # 56 MET HN 52 LEU HA 4.40 &rst iat= 864, 799, r3= 4.40, r4= 4.90, &end # # 56 MET HN 53 LYS+ HA 4.40 &rst iat= 864, 818, r3= 4.40, r4= 4.90, &end # # 56 MET HN 54 VAL HA 4.40 &rst iat= 864, 840, r3= 4.40, r4= 4.90, &end # # 57 ARG+ HN 54 VAL HA 4.40 &rst iat= 883, 840, r3= 4.40, r4= 4.90, &end # # 58 ALA HN 54 VAL HA 4.40 &rst iat= 907, 840, r3= 4.40, r4= 4.90, &end # # 58 ALA HN 56 MET HA 4.40 &rst iat= 907, 866, r3= 4.40, r4= 4.90, &end # # 68 ILE HA 71 MET HN 3.50 &rst iat=1068,1129, r3= 3.50, r4= 4.00, &end # # 69 LYS+ HN 66 GLU- HA 3.50 &rst iat=1085,1038, r3= 3.50, r4= 4.00, &end # # 69 LYS+ HA 72 ILE HN 3.50 &rst iat=1087,1148, r3= 3.50, r4= 4.00, &end # # 72 ILE HN 68 ILE HA 4.40 &rst iat=1148,1068, r3= 4.40, r4= 4.90, &end # # 73 SER HN 69 LYS+ HA 4.40 &rst iat=1167,1087, r3= 4.40, r4= 4.90, &end # # 74 GLU- HN 72 ILE HA 4.40 &rst iat=1178,1150, r3= 4.40, r4= 4.90, &end # # 75 ILE HN 71 MET HA 3.50 &rst iat=1193,1131, r3= 3.50, r4= 4.00, &end # # 85 PHE CG 88 PHE QB 6.00 &rst iat= -1, -1, r3= 7.27, r4= 7.77, igr1=1336,1344, 0, 0, igr2=1382,1383, 0, 0, &end # # 86 GLU- HA 89 LEU HN 3.50 &rst iat=1350,1398, r3= 3.50, r4= 4.00, &end # # 88 PHE CG 85 PHE HA 6.00 &rst iat= -1,1330, r3= 6.69, r4= 7.19, igr1=1386,1394, 0, 0, igr2= 0, 0, 0, 0, &end # # 88 PHE HN 86 GLU- HA 4.40 &rst iat=1378,1350, r3= 4.40, r4= 4.90, &end # # 88 PHE HA 91 MET HN 3.50 &rst iat=1380,1431, r3= 3.50, r4= 4.00, &end # # 89 LEU HA 92 MET HN 4.30 &rst iat=1400,1450, r3= 4.30, r4= 4.80, &end # # 90 THR HN 86 GLU- HA 3.50 &rst iat=1417,1350, r3= 3.50, r4= 4.00, &end # # 90 THR HN 87 GLU- HA 3.50 &rst iat=1417,1365, r3= 3.50, r4= 4.00, &end # # 91 MET HN 89 LEU HA 4.40 &rst iat=1431,1400, r3= 4.40, r4= 4.90, &end # # 93 THR HN 89 LEU HA 4.40 &rst iat=1469,1400, r3= 4.40, r4= 4.90, &end # # 93 THR HN 90 THR HA 4.40 &rst iat=1469,1419, r3= 4.40, r4= 4.90, &end # # 93 THR HN 91 MET HA 4.40 &rst iat=1469,1433, r3= 4.40, r4= 4.90, &end # # 36 PHE CZ 46 THR HA 6.00 &rst iat= -1, 707, r3= 6.69, r4= 7.19, igr1= 581, 585, 0, 0, igr2= 0, 0, 0, 0, &end # # 36 PHE HZ 46 THR HA 6.00 &rst iat= 583, 707, r3= 6.00, r4= 6.50, &end # # 36 PHE CG 47 ILE QD1 6.00 &rst iat= -1, -1, r3= 7.51, r4= 8.01, igr1= 579, 587, 0, 0, igr2= 732, 733, 734, 0, &end # # 36 PHE CZ 47 ILE QD1 6.00 &rst iat= -1, -1, r3= 7.51, r4= 8.01, igr1= 581, 585, 0, 0, igr2= 732, 733, 734, 0, &end # # 36 PHE CZ 84 ASP- HA 6.00 &rst iat= -1,1318, r3= 6.69, r4= 7.19, igr1= 581, 585, 0, 0, igr2= 0, 0, 0, 0, &end # # 36 PHE HZ 84 ASP- HA 6.00 &rst iat= 583,1318, r3= 6.00, r4= 6.50, &end # # 36 PHE CG 85 PHE HA 6.00 &rst iat= -1,1330, r3= 6.69, r4= 7.19, igr1= 579, 587, 0, 0, igr2= 0, 0, 0, 0, &end # # 36 PHE CZ 85 PHE HA 6.00 &rst iat= -1,1330, r3= 6.69, r4= 7.19, igr1= 581, 585, 0, 0, igr2= 0, 0, 0, 0, &end # # 36 PHE CG 88 PHE QB 6.00 &rst iat= -1, -1, r3= 7.27, r4= 7.77, igr1= 579, 587, 0, 0, igr2=1382,1383, 0, 0, &end # # 36 PHE CZ 88 PHE QB 6.00 &rst iat= -1, -1, r3= 7.27, r4= 7.77, igr1= 581, 585, 0, 0, igr2=1382,1383, 0, 0, &end # # 39 PHE CG 47 ILE QD1 6.00 &rst iat= -1, -1, r3= 7.51, r4= 8.01, igr1= 630, 638, 0, 0, igr2= 732, 733, 734, 0, &end # # 40 ASP- HA 47 ILE QD1 6.00 &rst iat= 644, -1, r3= 6.74, r4= 7.24, igr1= 0, 0, 0, 0, igr2= 732, 733, 734, 0, &end # # 46 THR HN 36 PHE CZ 4.40 &rst iat= 705, -1, r3= 4.92, r4= 5.42, igr1= 0, 0, 0, 0, igr2= 581, 585, 0, 0, &end # # 46 THR HN 36 PHE HZ 4.40 &rst iat= 705, 583, r3= 4.40, r4= 4.90, &end # # 47 ILE HN 83 ILE HB 3.50 &rst iat= 719,1301, r3= 3.50, r4= 4.00, &end # # 47 ILE HN 84 ASP- HA 4.40 &rst iat= 719,1318, r3= 4.40, r4= 4.90, &end # # 49 ALA HN 82 THR HA 2.80 &rst iat= 750,1285, r3= 2.80, r4= 3.30, &end # # 75 ILE QD1 32 ILE QG1 2.30 &rst iat= -1, -1, r3= 3.04, r4= 3.54, igr1=1206,1207,1208, 0, igr2= 513, 514, 0, 0, &end # # 83 ILE HN 47 ILE HN 4.40 &rst iat=1297, 719, r3= 4.40, r4= 4.90, &end # # 84 ASP- HA 46 THR HA 6.00 &rst iat=1318, 707, r3= 6.00, r4= 6.50, &end # # 85 PHE CG 36 PHE QB 6.00 &rst iat= -1, -1, r3= 7.27, r4= 7.77, igr1=1336,1344, 0, 0, igr2= 575, 576, 0, 0, &end # # 85 PHE CZ 36 PHE QB 6.00 &rst iat= -1, -1, r3= 7.27, r4= 7.77, igr1=1338,1342, 0, 0, igr2= 575, 576, 0, 0, &end # # 88 PHE CG 47 ILE QD1 6.00 &rst iat= -1, -1, r3= 7.51, r4= 8.01, igr1=1386,1394, 0, 0, igr2= 732, 733, 734, 0, &end # crcn.dihed.RST &rst iat= 399, 401, 403, 414, r1=-120.0, r2=-90.0, r3=-30.0, r4= 0.0, rk2=50.0, rk3=50.0, &end &rst iat= 414, 416, 418, 429, r1=-110.0, r2=-80.0, r3=-40.0, r4=-10.0, &end &rst iat= 429, 431, 433, 446, r1=-120.0, r2=-90.0, r3=-30.0, r4= 0.0, &end &rst iat= 446, 448, 450, 468, r1=-110.0, r2=-80.0, r3=-40.0, r4=-10.0, &end &rst iat= 468, 470, 472, 485, r1=-110.0, r2=-80.0, r3=-40.0, r4=-10.0, &end &rst iat= 485, 487, 489, 500, r1=-110.0, r2=-80.0, r3=-40.0, r4=-10.0, &end &rst iat= 500, 502, 504, 519, r1=-110.0, r2=-80.0, r3=-40.0, r4=-10.0, &end &rst iat= 519, 521, 523, 543, r1=-110.0, r2=-80.0, r3=-40.0, r4=-10.0, &end &rst iat= 543, 545, 547, 558, r1=-110.0, r2=-80.0, r3=-40.0, r4=-10.0, &end &rst iat= 558, 560, 562, 568, r1=-110.0, r2=-80.0, r3=-40.0, r4=-10.0, &end &rst iat= 568, 570, 572, 588, r1=-110.0, r2=-80.0, r3=-40.0, r4=-10.0, &end &rst iat= 588, 590, 592, 600, r1=-110.0, r2=-80.0, r3=-40.0, r4=-10.0, &end &rst iat= 600, 602, 604, 619, r1=-120.0, r2=-90.0, r3=-30.0, r4= 0.0, &end &rst iat= 651, 653, 655, 665, r1=-110.0, r2=-80.0, r3= 0.0, r4= 30.0, &end &rst iat= 665, 667, 669, 677, r1=-210.0, r2=-180.0, r3=-80.0, r4=-50.0, &end &rst iat= 702, 704, 706, 716, r1=-190.0, r2=-160.0, r3=-120.0, r4=-90.0, &end &rst iat= 716, 718, 720, 735, r1=-190.0, r2=-160.0, r3=-120.0, r4=-90.0, &end &rst iat= 735, 737, 739, 747, r1=-190.0, r2=-160.0, r3=-120.0, r4=-90.0, &end &rst iat= 747, 749, 751, 757, r1=-110.0, r2=-80.0, r3= 0.0, r4= 30.0, &end &rst iat= 779, 781, 783, 794, r1=-110.0, r2=-80.0, r3=-40.0, r4=-10.0, &end &rst iat= 794, 796, 798, 813, r1=-110.0, r2=-80.0, r3=-40.0, r4=-10.0, &end &rst iat= 813, 815, 817, 835, r1=-110.0, r2=-80.0, r3=-40.0, r4=-10.0, &end &rst iat= 851, 853, 855, 861, r1=-110.0, r2=-80.0, r3=-40.0, r4=-10.0, &end &rst iat= 861, 863, 865, 880, r1=-110.0, r2=-80.0, r3=-40.0, r4=-10.0, &end &rst iat= 880, 882, 884, 904, r1=-110.0, r2=-80.0, r3=-40.0, r4=-10.0, &end &rst iat= 904, 906, 908, 914, r1=-110.0, r2=-80.0, r3=-40.0, r4=-10.0, &end &rst iat= 940, 942, 944, 960, r1=-210.0, r2=-180.0, r3=-80.0, r4=-50.0, &end &rst iat=1033,1035,1037,1048, r1=-120.0, r2=-90.0, r3=-30.0, r4= 0.0, &end &rst iat=1048,1050,1052,1063, r1=-110.0, r2=-80.0, r3=-40.0, r4=-10.0, &end &rst iat=1063,1065,1067,1082, r1=-110.0, r2=-80.0, r3=-40.0, r4=-10.0, &end &rst iat=1082,1084,1086,1104, r1=-110.0, r2=-80.0, r3=-40.0, r4=-10.0, &end &rst iat=1104,1106,1108,1126, r1=-110.0, r2=-80.0, r3=-40.0, r4=-10.0, &end &rst iat=1126,1128,1130,1145, r1=-110.0, r2=-80.0, r3=-40.0, r4=-10.0, &end &rst iat=1145,1147,1149,1164, r1=-110.0, r2=-80.0, r3=-40.0, r4=-10.0, &end &rst iat=1164,1166,1168,1175, r1=-110.0, r2=-80.0, r3=-40.0, r4=-10.0, &end &rst iat=1243,1245,1247,1255, r1=-210.0, r2=-180.0, r3=-80.0, r4=-50.0, &end &rst iat=1280,1282,1284,1294, r1=-190.0, r2=-160.0, r3=-120.0, r4=-90.0, &end &rst iat=1294,1296,1298,1313, r1=-190.0, r2=-160.0, r3=-120.0, r4=-90.0, &end &rst iat=1313,1315,1317,1325, r1=-190.0, r2=-160.0, r3=-120.0, r4=-90.0, &end &rst iat=1325,1327,1329,1345, r1=-110.0, r2=-80.0, r3= 0.0, r4= 30.0, &end &rst iat=1345,1347,1349,1360, r1=-120.0, r2=-90.0, r3=-30.0, r4= 0.0, &end &rst iat=1360,1362,1364,1375, r1=-110.0, r2=-80.0, r3=-40.0, r4=-10.0, &end &rst iat=1375,1377,1379,1395, r1=-110.0, r2=-80.0, r3=-40.0, r4=-10.0, &end &rst iat=1395,1397,1399,1414, r1=-110.0, r2=-80.0, r3=-40.0, r4=-10.0, &end &rst iat=1414,1416,1418,1428, r1=-110.0, r2=-80.0, r3=-40.0, r4=-10.0, &end &rst iat=1428,1430,1432,1447, r1=-110.0, r2=-80.0, r3=-40.0, r4=-10.0, &end &rst iat=1447,1449,1451,1466, r1=-120.0, r2=-90.0, r3=-30.0, r4= 0.0, &end &rst iat= 401, 403, 414, 416, r1=-110.0, r2=-80.0, r3= 0.0, r4= 30.0, &end &rst iat= 416, 418, 429, 431, r1=-110.0, r2=-80.0, r3= 0.0, r4= 30.0, &end &rst iat= 431, 433, 446, 448, r1=-110.0, r2=-80.0, r3= 0.0, r4= 30.0, &end &rst iat= 448, 450, 468, 470, r1=-110.0, r2=-80.0, r3= 0.0, r4= 30.0, &end &rst iat= 470, 472, 485, 487, r1=-110.0, r2=-80.0, r3= 0.0, r4= 30.0, &end &rst iat= 487, 489, 500, 502, r1=-110.0, r2=-80.0, r3= 0.0, r4= 30.0, &end &rst iat= 502, 504, 519, 521, r1=-110.0, r2=-80.0, r3= 0.0, r4= 30.0, &end &rst iat= 521, 523, 543, 545, r1=-110.0, r2=-80.0, r3= 0.0, r4= 30.0, &end &rst iat= 545, 547, 558, 560, r1=-110.0, r2=-80.0, r3= 0.0, r4= 30.0, &end &rst iat= 560, 562, 568, 570, r1=-110.0, r2=-80.0, r3= 0.0, r4= 30.0, &end &rst iat= 570, 572, 588, 590, r1=-110.0, r2=-80.0, r3= 0.0, r4= 30.0, &end &rst iat= 590, 592, 600, 602, r1=-110.0, r2=-80.0, r3= 0.0, r4= 30.0, &end &rst iat= 781, 783, 794, 796, r1=-110.0, r2=-80.0, r3= 0.0, r4= 30.0, &end &rst iat= 796, 798, 813, 815, r1=-110.0, r2=-80.0, r3= 0.0, r4= 30.0, &end &rst iat= 853, 855, 861, 863, r1=-110.0, r2=-80.0, r3= 0.0, r4= 30.0, &end &rst iat= 863, 865, 880, 882, r1=-110.0, r2=-80.0, r3= 0.0, r4= 30.0, &end &rst iat= 882, 884, 904, 906, r1=-110.0, r2=-80.0, r3= 0.0, r4= 30.0, &end &rst iat=1035,1037,1048,1050, r1=-110.0, r2=-80.0, r3= 0.0, r4= 30.0, &end &rst iat=1050,1052,1063,1065, r1=-110.0, r2=-80.0, r3= 0.0, r4= 30.0, &end &rst iat=1065,1067,1082,1084, r1=-110.0, r2=-80.0, r3= 0.0, r4= 30.0, &end &rst iat=1084,1086,1104,1106, r1=-110.0, r2=-80.0, r3= 0.0, r4= 30.0, &end &rst iat=1106,1108,1126,1128, r1=-110.0, r2=-80.0, r3= 0.0, r4= 30.0, &end &rst iat=1128,1130,1145,1147, r1=-110.0, r2=-80.0, r3= 0.0, r4= 30.0, &end &rst iat=1147,1149,1164,1166, r1=-110.0, r2=-80.0, r3= 0.0, r4= 30.0, &end &rst iat=1347,1349,1360,1362, r1=-110.0, r2=-80.0, r3= 0.0, r4= 30.0, &end &rst iat=1362,1364,1375,1377, r1=-110.0, r2=-80.0, r3= 0.0, r4= 30.0, &end &rst iat=1377,1379,1395,1397, r1=-110.0, r2=-80.0, r3= 0.0, r4= 30.0, &end &rst iat=1397,1399,1414,1416, r1=-110.0, r2=-80.0, r3= 0.0, r4= 30.0, &end &rst iat=1416,1418,1428,1430, r1=-110.0, r2=-80.0, r3= 0.0, r4= 30.0, &end &rst iat=1430,1432,1447,1449, r1=-110.0, r2=-80.0, r3= 0.0, r4= 30.0, &end # crcn.chirality.RST # # 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 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 CG HB2 HB3 &rst iat=23,28,26,27, &end # # chirality for residue 3 atoms: CB SD HG2 HG3 &rst iat=25,31,29,30, &end # # chirality for residue 3 atoms: N C HA CB &rst iat=21,38,24,25, &end # # chirality for residue 4 atoms: CA OG HB2 HB3 &rst iat=42,47,45,46, &end # # chirality for residue 4 atoms: N C HA CB &rst iat=40,49,43,44, &end # # chirality for residue 5 atoms: CA CG HB2 HB3 &rst iat=53,58,56,57, &end # # chirality for residue 5 atoms: N C HA CB &rst iat=51,70,54,55, &end # # chirality for residue 6 atoms: CA CG HB2 HB3 &rst iat=74,79,77,78, &end # # chirality for residue 6 atoms: CB CD HG2 HG3 &rst iat=76,82,80,81, &end # # chirality for residue 6 atoms: CD NZ HE2 HE3 &rst iat=82,88,86,87, &end # # chirality for residue 6 atoms: CG CE HD2 HD3 &rst iat=79,85,83,84, &end # # chirality for residue 6 atoms: N C HA CB &rst iat=72,92,75,76, &end # # chirality for residue 7 atoms: N C HA CB &rst iat=94,102,97,98, &end # # chirality for residue 8 atoms: CA CG HB2 HB3 &rst iat=106,111,109,110, &end # # chirality for residue 8 atoms: CB CD HG2 HG3 &rst iat=108,114,112,113, &end # # chirality for residue 8 atoms: CD NZ HE2 HE3 &rst iat=114,120,118,119, &end # # chirality for residue 8 atoms: CG CE HD2 HD3 &rst iat=111,117,115,116, &end # # chirality for residue 8 atoms: N C HA CB &rst iat=104,124,107,108, &end # # chirality for residue 9 atoms: CA CG2 OG1 HB &rst iat=128,132,136,131, &end # # chirality for residue 9 atoms: N C HA CB &rst iat=126,138,129,130, &end # # chirality for residue 10 atoms: CA CG1 CG2 HB &rst iat=142,146,150,145, &end # # chirality for residue 10 atoms: N C HA CB &rst iat=140,154,143,144, &end # # chirality for residue 11 atoms: CA CG1 CG2 HB &rst iat=158,162,166,161, &end # # chirality for residue 11 atoms: N C HA CB &rst iat=156,170,159,160, &end # # chirality for residue 12 atoms: CA OG HB2 HB3 &rst iat=174,179,177,178, &end # # chirality for residue 12 atoms: N C HA CB &rst iat=172,181,175,176, &end # # chirality for residue 13 atoms: N C HA CB &rst iat=183,191,186,187, &end # # chirality for residue 14 atoms: CA CG HB2 HB3 &rst iat=195,200,198,199, &end # # chirality for residue 14 atoms: CB CD HG2 HG3 &rst iat=197,203,201,202, &end # # chirality for residue 14 atoms: CG NE HD2 HD3 &rst iat=200,206,204,205, &end # # chirality for residue 14 atoms: N C HA CB &rst iat=193,215,196,197, &end # # chirality for residue 15 atoms: CA CG HB2 HB3 &rst iat=219,224,222,223, &end # # chirality for residue 15 atoms: CB CD HG2 HG3 &rst iat=221,227,225,226, &end # # chirality for residue 15 atoms: CG NE HD2 HD3 &rst iat=224,230,228,229, &end # # chirality for residue 15 atoms: N C HA CB &rst iat=217,239,220,221, &end # # chirality for residue 16 atoms: CA CG HB2 HB3 &rst iat=243,248,246,247, &end # # chirality for residue 16 atoms: N C HA CB &rst iat=241,251,244,245, &end # # chirality for residue 17 atoms: CA CG HB2 HB3 &rst iat=255,260,258,259, &end # # chirality for residue 17 atoms: CB CD HG2 HG3 &rst iat=257,263,261,262, &end # # chirality for residue 17 atoms: N C HA CB &rst iat=253,268,256,257, &end # # chirality for residue 18 atoms: CA CG HB2 HB3 &rst iat=272,277,275,276, &end # # chirality for residue 18 atoms: CB CD HG2 HG3 &rst iat=274,280,278,279, &end # # chirality for residue 18 atoms: CD NZ HE2 HE3 &rst iat=280,286,284,285, &end # # chirality for residue 18 atoms: CG CE HD2 HD3 &rst iat=277,283,281,282, &end # # chirality for residue 18 atoms: N C HA CB &rst iat=270,290,273,274, &end # # chirality for residue 19 atoms: CA CG HB2 HB3 &rst iat=294,299,297,298, &end # # chirality for residue 19 atoms: CB CD HG2 HG3 &rst iat=296,302,300,301, &end # # chirality for residue 19 atoms: CD NZ HE2 HE3 &rst iat=302,308,306,307, &end # # chirality for residue 19 atoms: CG CE HD2 HD3 &rst iat=299,305,303,304, &end # # chirality for residue 19 atoms: N C HA CB &rst iat=292,312,295,296, &end # # chirality for residue 20 atoms: N C HA2 HA3 &rst iat=314,319,317,318, &end # # chirality for residue 21 atoms: CA CG HB2 HB3 &rst iat=323,328,326,327, &end # # chirality for residue 21 atoms: CB CD HG2 HG3 &rst iat=325,331,329,330, &end # # chirality for residue 21 atoms: CG NE HD2 HD3 &rst iat=328,334,332,333, &end # # chirality for residue 21 atoms: N C HA CB &rst iat=321,343,324,325, &end # # chirality for residue 22 atoms: CA CG1 CG2 HB &rst iat=347,351,355,350, &end # # chirality for residue 22 atoms: N C HA CB &rst iat=345,359,348,349, &end # # chirality for residue 23 atoms: N C HA2 HA3 &rst iat=361,366,364,365, &end # # chirality for residue 24 atoms: CA CG HB2 HB3 &rst iat=370,375,373,374, &end # # chirality for residue 24 atoms: CB CD1 CD2 HG &rst iat=372,377,381,376, &end # # chirality for residue 24 atoms: N C HA CB &rst iat=368,385,371,372, &end # # chirality for residue 25 atoms: CA CG2 OG1 HB &rst iat=389,393,397,392, &end # # chirality for residue 25 atoms: N C HA CB &rst iat=387,399,390,391, &end # # chirality for residue 26 atoms: CA CG HB2 HB3 &rst iat=403,408,406,407, &end # # chirality for residue 26 atoms: CB CD HG2 HG3 &rst iat=405,411,409,410, &end # # chirality for residue 26 atoms: N C HA CB &rst iat=401,414,404,405, &end # # chirality for residue 27 atoms: CA CG HB2 HB3 &rst iat=418,423,421,422, &end # # chirality for residue 27 atoms: CB CD HG2 HG3 &rst iat=420,426,424,425, &end # # chirality for residue 27 atoms: N C HA CB &rst iat=416,429,419,420, &end # # chirality for residue 28 atoms: CA CG HB2 HB3 &rst iat=433,438,436,437, &end # # chirality for residue 28 atoms: CB CD HG2 HG3 &rst iat=435,441,439,440, &end # # chirality for residue 28 atoms: N C HA CB &rst iat=431,446,434,435, &end # # chirality for residue 29 atoms: CA CG HB2 HB3 &rst iat=450,455,453,454, &end # # chirality for residue 29 atoms: CB CD HG2 HG3 &rst iat=452,458,456,457, &end # # chirality for residue 29 atoms: CD NZ HE2 HE3 &rst iat=458,464,462,463, &end # # chirality for residue 29 atoms: CG CE HD2 HD3 &rst iat=455,461,459,460, &end # # chirality for residue 29 atoms: N C HA CB &rst iat=448,468,451,452, &end # # chirality for residue 30 atoms: CA CG HB2 HB3 &rst iat=472,477,475,476, &end # # chirality for residue 30 atoms: CB CD HG2 HG3 &rst iat=474,480,478,479, &end # # chirality for residue 30 atoms: N C HA CB &rst iat=470,485,473,474, &end # # chirality for residue 31 atoms: CA CG HB2 HB3 &rst iat=489,494,492,493, &end # # chirality for residue 31 atoms: CB CD HG2 HG3 &rst iat=491,497,495,496, &end # # chirality for residue 31 atoms: N C HA CB &rst iat=487,500,490,491, &end # # chirality for residue 32 atoms: CA CG2 CG1 HB &rst iat=504,508,512,507, &end # # chirality for residue 32 atoms: CB CD1 HG12 HG13 &rst iat=506,515,513,514, &end # # chirality for residue 32 atoms: N C HA CB &rst iat=502,519,505,506, &end # # chirality for residue 33 atoms: CA CG HB2 HB3 &rst iat=523,528,526,527, &end # # chirality for residue 33 atoms: CB CD HG2 HG3 &rst iat=525,531,529,530, &end # # chirality for residue 33 atoms: CG NE HD2 HD3 &rst iat=528,534,532,533, &end # # chirality for residue 33 atoms: N C HA CB &rst iat=521,543,524,525, &end # # chirality for residue 34 atoms: CA CG HB2 HB3 &rst iat=547,552,550,551, &end # # chirality for residue 34 atoms: CB CD HG2 HG3 &rst iat=549,555,553,554, &end # # chirality for residue 34 atoms: N C HA CB &rst iat=545,558,548,549, &end # # chirality for residue 35 atoms: N C HA CB &rst iat=560,568,563,564, &end # # chirality for residue 36 atoms: CA CG HB2 HB3 &rst iat=572,577,575,576, &end # # chirality for residue 36 atoms: N C HA CB &rst iat=570,588,573,574, &end # # chirality for residue 37 atoms: CA CG HB2 HB3 &rst iat=592,597,595,596, &end # # chirality for residue 37 atoms: N C HA CB &rst iat=590,600,593,594, &end # # chirality for residue 38 atoms: CA CG HB2 HB3 &rst iat=604,609,607,608, &end # # chirality for residue 38 atoms: CB CD1 CD2 HG &rst iat=606,611,615,610, &end # # chirality for residue 38 atoms: N C HA CB &rst iat=602,619,605,606, &end # # chirality for residue 39 atoms: CA CG HB2 HB3 &rst iat=623,628,626,627, &end # # chirality for residue 39 atoms: N C HA CB &rst iat=621,639,624,625, &end # # chirality for residue 40 atoms: CA CG HB2 HB3 &rst iat=643,648,646,647, &end # # chirality for residue 40 atoms: N C HA CB &rst iat=641,651,644,645, &end # # chirality for residue 41 atoms: CA CG2 OG1 HB &rst iat=655,659,663,658, &end # # chirality for residue 41 atoms: N C HA CB &rst iat=653,665,656,657, &end # # chirality for residue 42 atoms: CA CG HB2 HB3 &rst iat=669,674,672,673, &end # # chirality for residue 42 atoms: N C HA CB &rst iat=667,677,670,671, &end # # chirality for residue 43 atoms: N C HA2 HA3 &rst iat=679,684,682,683, &end # # chirality for residue 44 atoms: CA OG HB2 HB3 &rst iat=688,693,691,692, &end # # chirality for residue 44 atoms: N C HA CB &rst iat=686,695,689,690, &end # # chirality for residue 45 atoms: N C HA2 HA3 &rst iat=697,702,700,701, &end # # chirality for residue 46 atoms: CA CG2 OG1 HB &rst iat=706,710,714,709, &end # # chirality for residue 46 atoms: N C HA CB &rst iat=704,716,707,708, &end # # chirality for residue 47 atoms: CA CG2 CG1 HB &rst iat=720,724,728,723, &end # # chirality for residue 47 atoms: CB CD1 HG12 HG13 &rst iat=722,731,729,730, &end # # chirality for residue 47 atoms: N C HA CB &rst iat=718,735,721,722, &end # # chirality for residue 48 atoms: CA CG HB2 HB3 &rst iat=739,744,742,743, &end # # chirality for residue 48 atoms: N C HA CB &rst iat=737,747,740,741, &end # # chirality for residue 49 atoms: N C HA CB &rst iat=749,757,752,753, &end # # chirality for residue 50 atoms: CA CG HB2 HB3 &rst iat=761,766,764,765, &end # # chirality for residue 50 atoms: CB CD HG2 HG3 &rst iat=763,769,767,768, &end # # chirality for residue 50 atoms: CD NZ HE2 HE3 &rst iat=769,775,773,774, &end # # chirality for residue 50 atoms: CG CE HD2 HD3 &rst iat=766,772,770,771, &end # # chirality for residue 50 atoms: N C HA CB &rst iat=759,779,762,763, &end # # chirality for residue 51 atoms: CA CG HB2 HB3 &rst iat=783,788,786,787, &end # # chirality for residue 51 atoms: CB CD HG2 HG3 &rst iat=785,791,789,790, &end # # chirality for residue 51 atoms: N C HA CB &rst iat=781,794,784,785, &end # # chirality for residue 52 atoms: CA CG HB2 HB3 &rst iat=798,803,801,802, &end # # chirality for residue 52 atoms: CB CD1 CD2 HG &rst iat=800,805,809,804, &end # # chirality for residue 52 atoms: N C HA CB &rst iat=796,813,799,800, &end # # chirality for residue 53 atoms: CA CG HB2 HB3 &rst iat=817,822,820,821, &end # # chirality for residue 53 atoms: CB CD HG2 HG3 &rst iat=819,825,823,824, &end # # chirality for residue 53 atoms: CD NZ HE2 HE3 &rst iat=825,831,829,830, &end # # chirality for residue 53 atoms: CG CE HD2 HD3 &rst iat=822,828,826,827, &end # # chirality for residue 53 atoms: N C HA CB &rst iat=815,835,818,819, &end # # chirality for residue 54 atoms: CA CG1 CG2 HB &rst iat=839,843,847,842, &end # # chirality for residue 54 atoms: N C HA CB &rst iat=837,851,840,841, &end # # chirality for residue 55 atoms: N C HA CB &rst iat=853,861,856,857, &end # # chirality for residue 56 atoms: CA CG HB2 HB3 &rst iat=865,870,868,869, &end # # chirality for residue 56 atoms: CB SD HG2 HG3 &rst iat=867,873,871,872, &end # # chirality for residue 56 atoms: N C HA CB &rst iat=863,880,866,867, &end # # chirality for residue 57 atoms: CA CG HB2 HB3 &rst iat=884,889,887,888, &end # # chirality for residue 57 atoms: CB CD HG2 HG3 &rst iat=886,892,890,891, &end # # chirality for residue 57 atoms: CG NE HD2 HD3 &rst iat=889,895,893,894, &end # # chirality for residue 57 atoms: N C HA CB &rst iat=882,904,885,886, &end # # chirality for residue 58 atoms: N C HA CB &rst iat=906,914,909,910, &end # # chirality for residue 59 atoms: CA CG HB2 HB3 &rst iat=918,923,921,922, &end # # chirality for residue 59 atoms: CB CD1 CD2 HG &rst iat=920,925,929,924, &end # # chirality for residue 59 atoms: N C HA CB &rst iat=916,933,919,920, &end # # chirality for residue 60 atoms: N C HA2 HA3 &rst iat=935,940,938,939, &end # # chirality for residue 61 atoms: CA CG HB2 HB3 &rst iat=944,949,947,948, &end # # chirality for residue 61 atoms: N C HA CB &rst iat=942,960,945,946, &end # # chirality for residue 62 atoms: CA CG HB2 HB3 &rst iat=964,969,967,968, &end # # chirality for residue 62 atoms: CB CD HG2 HG3 &rst iat=966,972,970,971, &end # # chirality for residue 62 atoms: N C HA CB &rst iat=962,975,965,966, &end # # chirality for residue 63 atoms: CA CG HB2 HB3 &rst iat=987,981,985,986, &end # # chirality for residue 63 atoms: CB CD HG2 HG3 &rst iat=984,978,982,983, &end # # chirality for residue 63 atoms: CG N HD2 HD3 &rst iat=981,977,979,980, &end # # chirality for residue 63 atoms: N C HA CB &rst iat=977,989,988,984, &end # # chirality for residue 64 atoms: CA CG HB2 HB3 &rst iat=993,998,996,997, &end # # chirality for residue 64 atoms: CB CD HG2 HG3 &rst iat=995,1001,999,1000, &end # # chirality for residue 64 atoms: CD NZ HE2 HE3 &rst iat=1001,1007,1005,1006, &end # # chirality for residue 64 atoms: CG CE HD2 HD3 &rst iat=998,1004,1002,1003, &end # # chirality for residue 64 atoms: N C HA CB &rst iat=991,1011,994,995, &end # # chirality for residue 65 atoms: CA CG HB2 HB3 &rst iat=1015,1020,1018,1019, &end # # chirality for residue 65 atoms: CB CD HG2 HG3 &rst iat=1017,1023,1021,1022, &end # # chirality for residue 65 atoms: CD NZ HE2 HE3 &rst iat=1023,1029,1027,1028, &end # # chirality for residue 65 atoms: CG CE HD2 HD3 &rst iat=1020,1026,1024,1025, &end # # chirality for residue 65 atoms: N C HA CB &rst iat=1013,1033,1016,1017, &end # # chirality for residue 66 atoms: CA CG HB2 HB3 &rst iat=1037,1042,1040,1041, &end # # chirality for residue 66 atoms: CB CD HG2 HG3 &rst iat=1039,1045,1043,1044, &end # # chirality for residue 66 atoms: N C HA CB &rst iat=1035,1048,1038,1039, &end # # chirality for residue 67 atoms: CA CG HB2 HB3 &rst iat=1052,1057,1055,1056, &end # # chirality for residue 67 atoms: CB CD HG2 HG3 &rst iat=1054,1060,1058,1059, &end # # chirality for residue 67 atoms: N C HA CB &rst iat=1050,1063,1053,1054, &end # # chirality for residue 68 atoms: CA CG2 CG1 HB &rst iat=1067,1071,1075,1070, &end # # chirality for residue 68 atoms: CB CD1 HG12 HG13 &rst iat=1069,1078,1076,1077, &end # # chirality for residue 68 atoms: N C HA CB &rst iat=1065,1082,1068,1069, &end # # chirality for residue 69 atoms: CA CG HB2 HB3 &rst iat=1086,1091,1089,1090, &end # # chirality for residue 69 atoms: CB CD HG2 HG3 &rst iat=1088,1094,1092,1093, &end # # chirality for residue 69 atoms: CD NZ HE2 HE3 &rst iat=1094,1100,1098,1099, &end # # chirality for residue 69 atoms: CG CE HD2 HD3 &rst iat=1091,1097,1095,1096, &end # # chirality for residue 69 atoms: N C HA CB &rst iat=1084,1104,1087,1088, &end # # chirality for residue 70 atoms: CA CG HB2 HB3 &rst iat=1108,1113,1111,1112, &end # # chirality for residue 70 atoms: CB CD HG2 HG3 &rst iat=1110,1116,1114,1115, &end # # chirality for residue 70 atoms: CD NZ HE2 HE3 &rst iat=1116,1122,1120,1121, &end # # chirality for residue 70 atoms: CG CE HD2 HD3 &rst iat=1113,1119,1117,1118, &end # # chirality for residue 70 atoms: N C HA CB &rst iat=1106,1126,1109,1110, &end # # chirality for residue 71 atoms: CA CG HB2 HB3 &rst iat=1130,1135,1133,1134, &end # # chirality for residue 71 atoms: CB SD HG2 HG3 &rst iat=1132,1138,1136,1137, &end # # chirality for residue 71 atoms: N C HA CB &rst iat=1128,1145,1131,1132, &end # # chirality for residue 72 atoms: CA CG2 CG1 HB &rst iat=1149,1153,1157,1152, &end # # chirality for residue 72 atoms: CB CD1 HG12 HG13 &rst iat=1151,1160,1158,1159, &end # # chirality for residue 72 atoms: N C HA CB &rst iat=1147,1164,1150,1151, &end # # chirality for residue 73 atoms: CA OG HB2 HB3 &rst iat=1168,1173,1171,1172, &end # # chirality for residue 73 atoms: N C HA CB &rst iat=1166,1175,1169,1170, &end # # chirality for residue 74 atoms: CA CG HB2 HB3 &rst iat=1179,1184,1182,1183, &end # # chirality for residue 74 atoms: CB CD HG2 HG3 &rst iat=1181,1187,1185,1186, &end # # chirality for residue 74 atoms: N C HA CB &rst iat=1177,1190,1180,1181, &end # # chirality for residue 75 atoms: CA CG2 CG1 HB &rst iat=1194,1198,1202,1197, &end # # chirality for residue 75 atoms: CB CD1 HG12 HG13 &rst iat=1196,1205,1203,1204, &end # # chirality for residue 75 atoms: N C HA CB &rst iat=1192,1209,1195,1196, &end # # chirality for residue 76 atoms: CA CG HB2 HB3 &rst iat=1213,1218,1216,1217, &end # # chirality for residue 76 atoms: N C HA CB &rst iat=1211,1221,1214,1215, &end # # chirality for residue 77 atoms: CA CG HB2 HB3 &rst iat=1225,1230,1228,1229, &end # # chirality for residue 77 atoms: CB CD HG2 HG3 &rst iat=1227,1233,1231,1232, &end # # chirality for residue 77 atoms: CD NZ HE2 HE3 &rst iat=1233,1239,1237,1238, &end # # chirality for residue 77 atoms: CG CE HD2 HD3 &rst iat=1230,1236,1234,1235, &end # # chirality for residue 77 atoms: N C HA CB &rst iat=1223,1243,1226,1227, &end # # chirality for residue 78 atoms: CA CG HB2 HB3 &rst iat=1247,1252,1250,1251, &end # # chirality for residue 78 atoms: N C HA CB &rst iat=1245,1255,1248,1249, &end # # chirality for residue 79 atoms: N C HA2 HA3 &rst iat=1257,1262,1260,1261, &end # # chirality for residue 80 atoms: CA OG HB2 HB3 &rst iat=1266,1271,1269,1270, &end # # chirality for residue 80 atoms: N C HA CB &rst iat=1264,1273,1267,1268, &end # # chirality for residue 81 atoms: N C HA2 HA3 &rst iat=1275,1280,1278,1279, &end # # chirality for residue 82 atoms: CA CG2 OG1 HB &rst iat=1284,1288,1292,1287, &end # # chirality for residue 82 atoms: N C HA CB &rst iat=1282,1294,1285,1286, &end # # chirality for residue 83 atoms: CA CG2 CG1 HB &rst iat=1298,1302,1306,1301, &end # # chirality for residue 83 atoms: CB CD1 HG12 HG13 &rst iat=1300,1309,1307,1308, &end # # chirality for residue 83 atoms: N C HA CB &rst iat=1296,1313,1299,1300, &end # # chirality for residue 84 atoms: CA CG HB2 HB3 &rst iat=1317,1322,1320,1321, &end # # chirality for residue 84 atoms: N C HA CB &rst iat=1315,1325,1318,1319, &end # # chirality for residue 85 atoms: CA CG HB2 HB3 &rst iat=1329,1334,1332,1333, &end # # chirality for residue 85 atoms: N C HA CB &rst iat=1327,1345,1330,1331, &end # # chirality for residue 86 atoms: CA CG HB2 HB3 &rst iat=1349,1354,1352,1353, &end # # chirality for residue 86 atoms: CB CD HG2 HG3 &rst iat=1351,1357,1355,1356, &end # # chirality for residue 86 atoms: N C HA CB &rst iat=1347,1360,1350,1351, &end # # chirality for residue 87 atoms: CA CG HB2 HB3 &rst iat=1364,1369,1367,1368, &end # # chirality for residue 87 atoms: CB CD HG2 HG3 &rst iat=1366,1372,1370,1371, &end # # chirality for residue 87 atoms: N C HA CB &rst iat=1362,1375,1365,1366, &end # # chirality for residue 88 atoms: CA CG HB2 HB3 &rst iat=1379,1384,1382,1383, &end # # chirality for residue 88 atoms: N C HA CB &rst iat=1377,1395,1380,1381, &end # # chirality for residue 89 atoms: CA CG HB2 HB3 &rst iat=1399,1404,1402,1403, &end # # chirality for residue 89 atoms: CB CD1 CD2 HG &rst iat=1401,1406,1410,1405, &end # # chirality for residue 89 atoms: N C HA CB &rst iat=1397,1414,1400,1401, &end # # chirality for residue 90 atoms: CA CG2 OG1 HB &rst iat=1418,1422,1426,1421, &end # # chirality for residue 90 atoms: N C HA CB &rst iat=1416,1428,1419,1420, &end # # chirality for residue 91 atoms: CA CG HB2 HB3 &rst iat=1432,1437,1435,1436, &end # # chirality for residue 91 atoms: CB SD HG2 HG3 &rst iat=1434,1440,1438,1439, &end # # chirality for residue 91 atoms: N C HA CB &rst iat=1430,1447,1433,1434, &end # # chirality for residue 92 atoms: CA CG HB2 HB3 &rst iat=1451,1456,1454,1455, &end # # chirality for residue 92 atoms: CB SD HG2 HG3 &rst iat=1453,1459,1457,1458, &end # # chirality for residue 92 atoms: N C HA CB &rst iat=1449,1466,1452,1453, &end # # chirality for residue 93 atoms: CA CG2 OG1 HB &rst iat=1470,1474,1478,1473, &end # # chirality for residue 93 atoms: N C HA CB &rst iat=1468,1480,1471,1472, &end # # chirality for residue 94 atoms: N C HA CB &rst iat=1482,1490,1485,1486, &end # # chirality for residue 95 atoms: CA CG HB2 HB3 &rst iat=1494,1499,1497,1498, &end # # chirality for residue 95 atoms: CB CD HG2 HG3 &rst iat=1496,1502,1500,1501, &end # # chirality for residue 95 atoms: CD NZ HE2 HE3 &rst iat=1502,1508,1506,1507, &end # # chirality for residue 95 atoms: CG CE HD2 HD3 &rst iat=1499,1505,1503,1504, &end # # chirality for residue 95 atoms: N C HA CB &rst iat=1492,1512,1495,1496, &end # # chirality for residue 96 atoms: CA CG HB2 HB3 &rst iat=1516,1521,1519,1520, &end # # chirality for residue 96 atoms: CB SD HG2 HG3 &rst iat=1518,1524,1522,1523, &end # # chirality for residue 96 atoms: N C HA CB &rst iat=1514,1531,1517,1518, &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=42,40,38,23, &end # # trans-omega constraint for residue 5 &rst iat=53,51,49,42, &end # # trans-omega constraint for residue 6 &rst iat=74,72,70,53, &end # # trans-omega constraint for residue 7 &rst iat=96,94,92,74, &end # # trans-omega constraint for residue 8 &rst iat=106,104,102,96, &end # # trans-omega constraint for residue 9 &rst iat=128,126,124,106, &end # # trans-omega constraint for residue 10 &rst iat=142,140,138,128, &end # # trans-omega constraint for residue 11 &rst iat=158,156,154,142, &end # # trans-omega constraint for residue 12 &rst iat=174,172,170,158, &end # # trans-omega constraint for residue 13 &rst iat=185,183,181,174, &end # # trans-omega constraint for residue 14 &rst iat=195,193,191,185, &end # # trans-omega constraint for residue 15 &rst iat=219,217,215,195, &end # # trans-omega constraint for residue 16 &rst iat=243,241,239,219, &end # # trans-omega constraint for residue 17 &rst iat=255,253,251,243, &end # # trans-omega constraint for residue 18 &rst iat=272,270,268,255, &end # # trans-omega constraint for residue 19 &rst iat=294,292,290,272, &end # # trans-omega constraint for residue 20 &rst iat=316,314,312,294, &end # # trans-omega constraint for residue 21 &rst iat=323,321,319,316, &end # # trans-omega constraint for residue 22 &rst iat=347,345,343,323, &end # # trans-omega constraint for residue 23 &rst iat=363,361,359,347, &end # # trans-omega constraint for residue 24 &rst iat=370,368,366,363, &end # # trans-omega constraint for residue 25 &rst iat=389,387,385,370, &end # # trans-omega constraint for residue 26 &rst iat=403,401,399,389, &end # # trans-omega constraint for residue 27 &rst iat=418,416,414,403, &end # # trans-omega constraint for residue 28 &rst iat=433,431,429,418, &end # # trans-omega constraint for residue 29 &rst iat=450,448,446,433, &end # # trans-omega constraint for residue 30 &rst iat=472,470,468,450, &end # # trans-omega constraint for residue 31 &rst iat=489,487,485,472, &end # # trans-omega constraint for residue 32 &rst iat=504,502,500,489, &end # # trans-omega constraint for residue 33 &rst iat=523,521,519,504, &end # # trans-omega constraint for residue 34 &rst iat=547,545,543,523, &end # # trans-omega constraint for residue 35 &rst iat=562,560,558,547, &end # # trans-omega constraint for residue 36 &rst iat=572,570,568,562, &end # # trans-omega constraint for residue 37 &rst iat=592,590,588,572, &end # # trans-omega constraint for residue 38 &rst iat=604,602,600,592, &end # # trans-omega constraint for residue 39 &rst iat=623,621,619,604, &end # # trans-omega constraint for residue 40 &rst iat=643,641,639,623, &end # # trans-omega constraint for residue 41 &rst iat=655,653,651,643, &end # # trans-omega constraint for residue 42 &rst iat=669,667,665,655, &end # # trans-omega constraint for residue 43 &rst iat=681,679,677,669, &end # # trans-omega constraint for residue 44 &rst iat=688,686,684,681, &end # # trans-omega constraint for residue 45 &rst iat=699,697,695,688, &end # # trans-omega constraint for residue 46 &rst iat=706,704,702,699, &end # # trans-omega constraint for residue 47 &rst iat=720,718,716,706, &end # # trans-omega constraint for residue 48 &rst iat=739,737,735,720, &end # # trans-omega constraint for residue 49 &rst iat=751,749,747,739, &end # # trans-omega constraint for residue 50 &rst iat=761,759,757,751, &end # # trans-omega constraint for residue 51 &rst iat=783,781,779,761, &end # # trans-omega constraint for residue 52 &rst iat=798,796,794,783, &end # # trans-omega constraint for residue 53 &rst iat=817,815,813,798, &end # # trans-omega constraint for residue 54 &rst iat=839,837,835,817, &end # # trans-omega constraint for residue 55 &rst iat=855,853,851,839, &end # # trans-omega constraint for residue 56 &rst iat=865,863,861,855, &end # # trans-omega constraint for residue 57 &rst iat=884,882,880,865, &end # # trans-omega constraint for residue 58 &rst iat=908,906,904,884, &end # # trans-omega constraint for residue 59 &rst iat=918,916,914,908, &end # # trans-omega constraint for residue 60 &rst iat=937,935,933,918, &end # # trans-omega constraint for residue 61 &rst iat=944,942,940,937, &end # # trans-omega constraint for residue 62 &rst iat=964,962,960,944, &end # # trans-omega constraint for residue 63 &rst iat=987,977,975,964, &end # # trans-omega constraint for residue 64 &rst iat=993,991,989,987, &end # # trans-omega constraint for residue 65 &rst iat=1015,1013,1011,993, &end # # trans-omega constraint for residue 66 &rst iat=1037,1035,1033,1015, &end # # trans-omega constraint for residue 67 &rst iat=1052,1050,1048,1037, &end # # trans-omega constraint for residue 68 &rst iat=1067,1065,1063,1052, &end # # trans-omega constraint for residue 69 &rst iat=1086,1084,1082,1067, &end # # trans-omega constraint for residue 70 &rst iat=1108,1106,1104,1086, &end # # trans-omega constraint for residue 71 &rst iat=1130,1128,1126,1108, &end # # trans-omega constraint for residue 72 &rst iat=1149,1147,1145,1130, &end # # trans-omega constraint for residue 73 &rst iat=1168,1166,1164,1149, &end # # trans-omega constraint for residue 74 &rst iat=1179,1177,1175,1168, &end # # trans-omega constraint for residue 75 &rst iat=1194,1192,1190,1179, &end # # trans-omega constraint for residue 76 &rst iat=1213,1211,1209,1194, &end # # trans-omega constraint for residue 77 &rst iat=1225,1223,1221,1213, &end # # trans-omega constraint for residue 78 &rst iat=1247,1245,1243,1225, &end # # trans-omega constraint for residue 79 &rst iat=1259,1257,1255,1247, &end # # trans-omega constraint for residue 80 &rst iat=1266,1264,1262,1259, &end # # trans-omega constraint for residue 81 &rst iat=1277,1275,1273,1266, &end # # trans-omega constraint for residue 82 &rst iat=1284,1282,1280,1277, &end # # trans-omega constraint for residue 83 &rst iat=1298,1296,1294,1284, &end # # trans-omega constraint for residue 84 &rst iat=1317,1315,1313,1298, &end # # trans-omega constraint for residue 85 &rst iat=1329,1327,1325,1317, &end # # trans-omega constraint for residue 86 &rst iat=1349,1347,1345,1329, &end # # trans-omega constraint for residue 87 &rst iat=1364,1362,1360,1349, &end # # trans-omega constraint for residue 88 &rst iat=1379,1377,1375,1364, &end # # trans-omega constraint for residue 89 &rst iat=1399,1397,1395,1379, &end # # trans-omega constraint for residue 90 &rst iat=1418,1416,1414,1399, &end # # trans-omega constraint for residue 91 &rst iat=1432,1430,1428,1418, &end # # trans-omega constraint for residue 92 &rst iat=1451,1449,1447,1432, &end # # trans-omega constraint for residue 93 &rst iat=1470,1468,1466,1451, &end # # trans-omega constraint for residue 94 &rst iat=1484,1482,1480,1470, &end # # trans-omega constraint for residue 95 &rst iat=1494,1492,1490,1484, &end # # trans-omega constraint for residue 96 &rst iat=1516,1514,1512,1494, &end