# # 12 ARG HN 12 ARG QG 1.08 &rst ixpk= 0, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 1.21, r4= 1.71, rk2=50.0, rk3=50.0, ir6=1, ialtd=0, igr2= 176, 177, &end # # 33 MET HN 33 MET QG 7.95 &rst ixpk= 0, nxpk= 0, iat= 514, -1, r1= 1.30, r2= 1.80, r3= 8.92, r4= 9.42, igr2= 521, 522, &end # # 12 ARG HN 12 ARG QD 1.10 &rst ixpk= 0, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 1.23, r4= 1.73, igr2= 179, 180, &end # # 58 VAL QG2 59 ALA HN 1.15 &rst ixpk= 0, nxpk= 0, iat= -1, 908, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, igr1= 902, 903, 904, &end # # 39 GLU QG 40 ARG HN 8.16 &rst ixpk= 0, nxpk= 0, iat= -1, 613, r1= 1.30, r2= 1.80, r3= 9.16, r4= 9.66, igr1= 605, 606, &end # # 10 LEU HA 77 HIS HA 6.69 &rst ixpk= 0, nxpk= 0, iat= 133,1184, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19, &end # # 16 LEU HA 18 TYR HN 1.11 &rst ixpk= 0, nxpk= 0, iat= 245, 286, r1= 1.30, r2= 1.80, r3= 1.11, r4= 1.61, &end # # 38 ALA HA 41 GLY HN 7.80 &rst ixpk= 0, nxpk= 0, iat= 590, 637, r1= 1.30, r2= 1.80, r3= 7.80, r4= 8.30, &end # # 22 PHE HA 33 MET HN 7.84 &rst ixpk= 0, nxpk= 0, iat= 352, 514, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34, &end # # 39 GLU HN 39 GLU QG 7.80 &rst ixpk= 0, nxpk= 0, iat= 598, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26, igr2= 605, 606, &end # # 67 HIS HN 68 ILE HB 1.16 &rst ixpk= 0, nxpk= 0, iat=1035,1056, r1= 1.30, r2= 1.80, r3= 1.16, r4= 1.66, &end # # 21 GLY QA 38 ALA QB 7.95 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.72, r4=11.22, igr1= 345, 346, igr2= 592, 593, 594, &end # # 5 ASN HA 6 VAL HB 7.96 &rst ixpk= 0, nxpk= 0, iat= 59, 75, r1= 1.30, r2= 1.80, r3= 7.96, r4= 8.46, &end # # 34 ARG HA 39 GLU QB 7.49 &rst ixpk= 0, nxpk= 0, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2= 602, 603, &end # # 34 ARG HA 35 GLY QA 1.08 &rst ixpk= 0, nxpk= 0, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 1.21, r4= 1.71, igr2= 557, 558, &end # # 72 ALA QB 76 ILE QD1 4.79 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41, igr1=1119,1120,1121, igr2=1176,1177,1178, &end # # 13 ARG QG 73 VAL HB 7.75 &rst ixpk= 0, nxpk= 0, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 8.70, r4= 9.20, igr1= 200, 201, &end # # 72 ALA HA 73 VAL HN 0.69 &rst ixpk= 0, nxpk= 0, iat=1117,1125, r1= 1.30, r2= 1.80, r3= 0.69, r4= 1.19, &end # # 69 LEU QB 69 LEU HG 0.69 &rst ixpk= 0, nxpk= 0, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 0.77, r4= 1.27, igr1=1075,1076, &end # # 37 ILE QG2 38 ALA HN 1.09 &rst ixpk= 0, nxpk= 0, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 1.31, r4= 1.81, igr1= 575, 576, 577, &end # # 17 ARG HN 17 ARG QD 8.37 &rst ixpk= 0, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 9.40, r4= 9.90, igr2= 272, 273, &end # # 48 ARG QG 49 ILE HN 1.08 &rst ixpk= 0, nxpk= 0, iat= -1, 755, r1= 1.30, r2= 1.80, r3= 1.21, r4= 1.71, igr1= 738, 739, &end # # 11 ILE QD1 37 ILE QG1 4.94 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16, igr1= 163, 164, 165, igr2= 579, 580, &end # # 9 VAL HA 10 LEU HN 0.71 &rst ixpk= 0, nxpk= 0, iat= 117, 131, r1= 1.30, r2= 1.80, r3= 0.71, r4= 1.21, &end # # 10 LEU QB 10 LEU QD1 0.73 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 0.98, r4= 1.48, igr1= 135, 136, igr2= 140, 141, 142, &end # # 28 ILE QD1 48 ARG QG 0.73 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 0.98, r4= 1.48, igr1= 448, 449, 450, igr2= 738, 739, &end # # 77 HIS QB 78 MET HN 7.59 &rst ixpk= 0, nxpk= 0, iat= -1,1199, r1= 1.30, r2= 1.80, r3= 8.52, r4= 9.02, igr1=1186,1187, &end # # 39 GLU QG 40 ARG HA 7.70 &rst ixpk= 0, nxpk= 0, iat= -1, 615, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14, igr1= 605, 606, &end # # 79 LYS QD 79 LYS QE 0.73 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 0.92, r4= 1.42, igr1=1226,1227, igr2=1229,1230, &end # # 13 ARG HE 18 TYR QB 1.11 &rst ixpk= 0, nxpk= 0, iat= 206, -1, r1= 1.30, r2= 1.80, r3= 1.25, r4= 1.75, igr2= 290, 291, &end # # 10 LEU QB 10 LEU QD2 0.73 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 0.98, r4= 1.48, igr1= 135, 136, igr2= 144, 145, 146, &end # # 6 VAL HA 7 THR HN 0.73 &rst ixpk= 0, nxpk= 0, iat= 73, 87, r1= 1.30, r2= 1.80, r3= 0.73, r4= 1.23, &end # # 65 ILE HA 68 ILE QD1 5.13 &rst ixpk= 0, nxpk= 0, iat=1002, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, igr2=1065,1066,1067, &end # # 60 THR HA 61 PRO QD 0.73 &rst ixpk= 0, nxpk= 0, iat= 920, -1, r1= 1.30, r2= 1.80, r3= 0.82, r4= 1.32, igr2= 933, 934, &end # # 20 LEU QB 20 LEU QD1 0.76 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.02, r4= 1.52, igr1= 328, 329, igr2= 333, 334, 335, &end # # 61 PRO QB 63 GLU HN 7.77 &rst ixpk= 0, nxpk= 0, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 8.72, r4= 9.22, igr1= 939, 940, &end # # 79 LYS QG 79 LYS QE 0.74 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 0.93, r4= 1.43, igr1=1223,1224, igr2=1229,1230, &end # # 49 ILE HA 49 ILE QG2 0.75 &rst ixpk= 0, nxpk= 0, iat= 757, -1, r1= 1.30, r2= 1.80, r3= 0.90, r4= 1.40, igr2= 761, 762, 763, &end # # 58 VAL HA 59 ALA QB 1.18 &rst ixpk= 0, nxpk= 0, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 1.42, r4= 1.92, igr2= 912, 913, 914, &end # # 34 ARG QG 35 GLY QA 1.09 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.37, r4= 1.87, igr1= 538, 539, igr2= 557, 558, &end # # 20 LEU QB 20 LEU QD2 0.76 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.02, r4= 1.52, igr1= 328, 329, igr2= 337, 338, 339, &end # # 60 THR QG2 68 ILE QD1 5.44 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35, igr1= 924, 925, 926, igr2=1065,1066,1067, &end # # 76 ILE HB 76 ILE QD1 0.77 &rst ixpk= 0, nxpk= 0, iat=1167, -1, r1= 1.30, r2= 1.80, r3= 0.92, r4= 1.42, igr2=1176,1177,1178, &end # # 50 ILE QG1 51 GLU QB 1.13 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.42, r4= 1.92, igr1= 784, 785, igr2= 797, 798, &end # # 49 ILE HA 80 THR QG2 5.50 &rst ixpk= 0, nxpk= 0, iat= 757, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1244,1245,1246, &end # # 31 SER HA 32 LEU HN 0.78 &rst ixpk= 0, nxpk= 0, iat= 486, 495, r1= 1.30, r2= 1.80, r3= 0.78, r4= 1.28, &end # # 15 ASP HA 73 VAL QG1 5.60 &rst ixpk= 0, nxpk= 0, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2=1131,1132,1133, &end # # 50 ILE HB 50 ILE QD1 0.80 &rst ixpk= 0, nxpk= 0, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 0.96, r4= 1.46, igr2= 787, 788, 789, &end # # 73 VAL HA 73 VAL QG2 0.79 &rst ixpk= 0, nxpk= 0, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 0.95, r4= 1.45, igr2=1135,1136,1137, &end # # 28 ILE QG2 29 ILE HN 5.51 &rst ixpk= 0, nxpk= 0, iat= -1, 454, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, igr1= 441, 442, 443, &end # # 60 THR QG2 61 PRO QD 5.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05, igr1= 924, 925, 926, igr2= 933, 934, &end # # 51 GLU QG 79 LYS QG 1.07 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.35, r4= 1.85, igr1= 800, 801, igr2=1223,1224, &end # # 61 PRO HA 62 HIS QB 1.13 &rst ixpk= 0, nxpk= 0, iat= 942, -1, r1= 1.30, r2= 1.80, r3= 1.27, r4= 1.77, igr2= 950, 951, &end # # 45 VAL HN 45 VAL HB 0.79 &rst ixpk= 0, nxpk= 0, iat= 691, 695, r1= 1.30, r2= 1.80, r3= 0.79, r4= 1.29, &end # # 73 VAL HA 73 VAL QG1 0.79 &rst ixpk= 0, nxpk= 0, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 0.95, r4= 1.45, igr2=1131,1132,1133, &end # # 28 ILE QG2 83 ALA QB 0.80 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.15, r4= 1.65, igr1= 441, 442, 443, igr2=1287,1288,1289, &end # # 29 ILE QG2 30 CYS QB 1.14 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.54, r4= 2.04, igr1= 460, 461, 462, igr2= 477, 478, &end # # 37 ILE HA 37 ILE QG2 0.80 &rst ixpk= 0, nxpk= 0, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 0.96, r4= 1.46, igr2= 575, 576, 577, &end # # 51 GLU QB 56 SER HA 1.17 &rst ixpk= 0, nxpk= 0, iat= -1, 867, r1= 1.30, r2= 1.80, r3= 1.31, r4= 1.81, igr1= 797, 798, &end # # 15 ASP HA 73 VAL QG2 5.60 &rst ixpk= 0, nxpk= 0, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2=1135,1136,1137, &end # # 37 ILE HB 37 ILE QD1 0.80 &rst ixpk= 0, nxpk= 0, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 0.96, r4= 1.46, igr2= 582, 583, 584, &end # # 60 THR QG2 65 ILE QG1 0.81 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.09, r4= 1.59, igr1= 924, 925, 926, igr2=1010,1011, &end # # 32 LEU QB 32 LEU QD2 0.80 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.08, r4= 1.58, igr1= 499, 500, igr2= 508, 509, 510, &end # # 7 THR HN 7 THR HB 0.80 &rst ixpk= 0, nxpk= 0, iat= 87, 91, r1= 1.30, r2= 1.80, r3= 0.80, r4= 1.30, &end # # 8 THR QG2 9 VAL HN 5.64 &rst ixpk= 0, nxpk= 0, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27, igr1= 107, 108, 109, &end # # 11 ILE HA 11 ILE QD1 5.64 &rst ixpk= 0, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27, igr2= 163, 164, 165, &end # # 9 VAL QG1 10 LEU HN 6.39 &rst ixpk= 0, nxpk= 0, iat= -1, 131, r1= 1.30, r2= 1.80, r3= 7.67, r4= 8.17, igr1= 121, 122, 123, &end # # 7 THR QG2 8 THR HN 0.81 &rst ixpk= 0, nxpk= 0, iat= -1, 101, r1= 1.30, r2= 1.80, r3= 0.97, r4= 1.47, igr1= 93, 94, 95, &end # # 78 MET QE 80 THR QG2 0.81 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.17, r4= 1.67, igr1=1210,1211,1212, igr2=1244,1245,1246, &end # # 69 LEU HA 72 ALA QB 0.81 &rst ixpk= 0, nxpk= 0, iat=1073, -1, r1= 1.30, r2= 1.80, r3= 0.97, r4= 1.47, igr2=1119,1120,1121, &end # # 8 THR HA 8 THR QG2 0.81 &rst ixpk= 0, nxpk= 0, iat= 103, -1, r1= 1.30, r2= 1.80, r3= 0.97, r4= 1.47, igr2= 107, 108, 109, &end # # 57 VAL HB 65 ILE QD1 0.82 &rst ixpk= 0, nxpk= 0, iat= 880, -1, r1= 1.30, r2= 1.80, r3= 0.98, r4= 1.48, igr2=1013,1014,1015, &end # # 49 ILE QG2 50 ILE HN 0.81 &rst ixpk= 0, nxpk= 0, iat= -1, 774, r1= 1.30, r2= 1.80, r3= 0.97, r4= 1.47, igr1= 761, 762, 763, &end # # 11 ILE QD1 37 ILE QG2 5.69 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.21, r4= 8.71, igr1= 163, 164, 165, igr2= 575, 576, 577, &end # # 12 ARG QG 75 GLU HA 1.08 &rst ixpk= 0, nxpk= 0, iat= -1,1150, r1= 1.30, r2= 1.80, r3= 1.21, r4= 1.71, igr1= 176, 177, &end # # 75 GLU HA 75 GLU QG 0.86 &rst ixpk= 0, nxpk= 0, iat=1150, -1, r1= 1.30, r2= 1.80, r3= 0.97, r4= 1.47, igr2=1155,1156, &end # # 79 LYS QB 79 LYS QE 0.82 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.03, r4= 1.53, igr1=1220,1221, igr2=1229,1230, &end # # 72 ALA QB 73 VAL HN 5.72 &rst ixpk= 0, nxpk= 0, iat= -1,1125, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37, igr1=1119,1120,1121, &end # # 45 VAL QG1 46 GLY HN 6.51 &rst ixpk= 0, nxpk= 0, iat= -1, 707, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32, igr1= 697, 698, 699, &end # # 6 VAL HN 6 VAL HB 0.82 &rst ixpk= 0, nxpk= 0, iat= 71, 75, r1= 1.30, r2= 1.80, r3= 0.82, r4= 1.32, &end # # 12 ARG HN 37 ILE QG2 1.10 &rst ixpk= 0, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 1.32, r4= 1.82, igr2= 575, 576, 577, &end # # 8 THR HN 8 THR HB 0.82 &rst ixpk= 0, nxpk= 0, iat= 101, 105, r1= 1.30, r2= 1.80, r3= 0.82, r4= 1.32, &end # # 10 LEU HA 10 LEU QD1 6.53 &rst ixpk= 0, nxpk= 0, iat= 133, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34, igr2= 140, 141, 142, &end # # 49 ILE QG2 78 MET QG 5.79 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.80, r4= 8.30, igr1= 761, 762, 763, igr2=1206,1207, &end # # 84 ALA HN 84 ALA QB 0.83 &rst ixpk= 0, nxpk= 0, iat=1293, -1, r1= 1.30, r2= 1.80, r3= 1.00, r4= 1.50, igr2=1297,1298,1299, &end # # 49 ILE QG2 51 GLU HN 5.81 &rst ixpk= 0, nxpk= 0, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48, igr1= 761, 762, 763, &end # # 73 VAL HA 76 ILE QD1 5.83 &rst ixpk= 0, nxpk= 0, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr2=1176,1177,1178, &end # # 49 ILE HA 51 GLU HN 1.08 &rst ixpk= 0, nxpk= 0, iat= 757, 793, r1= 1.30, r2= 1.80, r3= 1.08, r4= 1.58, &end # # 78 MET QB 78 MET QE 0.83 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.12, r4= 1.62, igr1=1203,1204, igr2=1210,1211,1212, &end # # 61 PRO QD 64 LYS QG 8.26 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.41, r4=10.91, igr1= 933, 934, igr2= 985, 986, &end # # 76 ILE QG2 78 MET QG 0.84 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.13, r4= 1.63, igr1=1169,1170,1171, igr2=1206,1207, &end # # 11 ILE QD1 38 ALA HA 0.84 &rst ixpk= 0, nxpk= 0, iat= -1, 590, r1= 1.30, r2= 1.80, r3= 1.01, r4= 1.51, igr1= 163, 164, 165, &end # # 73 VAL HB 74 GLY HN 5.90 &rst ixpk= 0, nxpk= 0, iat=1129,1141, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 76 ILE QG2 77 HIS HN 0.84 &rst ixpk= 0, nxpk= 0, iat= -1,1182, r1= 1.30, r2= 1.80, r3= 1.01, r4= 1.51, igr1=1169,1170,1171, &end # # 52 ILE QG2 53 ASN HN 0.83 &rst ixpk= 0, nxpk= 0, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 1.00, r4= 1.50, igr1= 814, 815, 816, &end # # 57 VAL QG1 60 THR QG2 1.02 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.47, r4= 1.97, igr1= 882, 883, 884, igr2= 924, 925, 926, &end # # 54 GLY HN 77 HIS QB 7.56 &rst ixpk= 0, nxpk= 0, iat= 841, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99, igr2=1186,1187, &end # # 11 ILE HA 12 ARG HN 0.85 &rst ixpk= 0, nxpk= 0, iat= 152, 169, r1= 1.30, r2= 1.80, r3= 0.85, r4= 1.35, &end # # 18 TYR HA 19 GLN HN 0.85 &rst ixpk= 0, nxpk= 0, iat= 288, 307, r1= 1.30, r2= 1.80, r3= 0.85, r4= 1.35, &end # # 49 ILE QG1 80 THR QG2 0.85 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.15, r4= 1.65, igr1= 765, 766, igr2=1244,1245,1246, &end # # 32 LEU HA 32 LEU QD1 7.00 &rst ixpk= 0, nxpk= 0, iat= 497, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2= 504, 505, 506, &end # # 57 VAL HB 60 THR HB 0.85 &rst ixpk= 0, nxpk= 0, iat= 880, 922, r1= 1.30, r2= 1.80, r3= 0.85, r4= 1.35, &end # # 22 PHE QB 32 LEU QD1 6.98 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.41, r4= 9.91, igr1= 354, 355, igr2= 504, 505, 506, &end # # 29 ILE QG2 46 GLY HN 0.85 &rst ixpk= 0, nxpk= 0, iat= -1, 707, r1= 1.30, r2= 1.80, r3= 1.02, r4= 1.52, igr1= 460, 461, 462, &end # # 51 GLU QB 52 ILE HN 7.80 &rst ixpk= 0, nxpk= 0, iat= -1, 808, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26, igr1= 797, 798, &end # # 37 ILE HN 37 ILE QG2 6.00 &rst ixpk= 0, nxpk= 0, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr2= 575, 576, 577, &end # # 13 ARG QG 73 VAL QG2 6.02 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.11, r4= 8.61, igr1= 200, 201, igr2=1135,1136,1137, &end # # 50 ILE HN 50 ILE QG2 6.02 &rst ixpk= 0, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73, igr2= 780, 781, 782, &end # # 10 LEU QD2 75 GLU QG 0.86 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.16, r4= 1.66, igr1= 144, 145, 146, igr2=1155,1156, &end # # 10 LEU QD1 75 GLU HA 6.60 &rst ixpk= 0, nxpk= 0, iat= -1,1150, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1= 140, 141, 142, &end # # 20 LEU HN 21 GLY QA 1.17 &rst ixpk= 0, nxpk= 0, iat= 324, -1, r1= 1.30, r2= 1.80, r3= 1.31, r4= 1.81, igr2= 345, 346, &end # # 20 LEU HA 37 ILE QD1 6.02 &rst ixpk= 0, nxpk= 0, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73, igr2= 582, 583, 584, &end # # 52 ILE QG2 76 ILE HA 8.37 &rst ixpk= 0, nxpk= 0, iat= -1,1165, r1= 1.30, r2= 1.80, r3=10.05, r4=10.55, igr1= 814, 815, 816, &end # # 68 ILE HN 68 ILE HB 0.86 &rst ixpk= 0, nxpk= 0, iat=1052,1056, r1= 1.30, r2= 1.80, r3= 0.86, r4= 1.36, &end # # 60 THR HB 65 ILE QD1 6.16 &rst ixpk= 0, nxpk= 0, iat= 922, -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90, igr2=1013,1014,1015, &end # # 38 ALA HN 38 ALA QB 0.87 &rst ixpk= 0, nxpk= 0, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 1.04, r4= 1.54, igr2= 592, 593, 594, &end # # 11 ILE QD1 12 ARG HN 6.14 &rst ixpk= 0, nxpk= 0, iat= -1, 169, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87, igr1= 163, 164, 165, &end # # 53 ASN HN 78 MET HA 7.30 &rst ixpk= 0, nxpk= 0, iat= 827,1201, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80, &end # # 53 ASN QD2 76 ILE QD1 7.80 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.51, r4=11.01, igr1= 836, 837, igr2=1176,1177,1178, &end # # 29 ILE QD1 49 ILE QD1 6.32 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.12, r4= 9.62, igr1= 467, 468, 469, igr2= 768, 769, 770, &end # # 7 THR HN 7 THR QG2 6.20 &rst ixpk= 0, nxpk= 0, iat= 87, -1, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95, igr2= 93, 94, 95, &end # # 52 ILE QG2 78 MET QG 0.89 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.20, r4= 1.70, igr1= 814, 815, 816, igr2=1206,1207, &end # # 32 LEU QB 32 LEU QD1 0.80 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.08, r4= 1.58, igr1= 499, 500, igr2= 504, 505, 506, &end # # 68 ILE HN 68 ILE QD1 0.89 &rst ixpk= 0, nxpk= 0, iat=1052, -1, r1= 1.30, r2= 1.80, r3= 1.07, r4= 1.57, igr2=1065,1066,1067, &end # # 56 SER QB 57 VAL HN 1.11 &rst ixpk= 0, nxpk= 0, iat= -1, 876, r1= 1.30, r2= 1.80, r3= 1.25, r4= 1.75, igr1= 869, 870, &end # # 53 ASN QB 53 ASN QD2 0.89 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.12, r4= 1.62, igr1= 831, 832, igr2= 836, 837, &end # # 63 GLU HA 66 VAL HB 6.25 &rst ixpk= 0, nxpk= 0, iat= 965,1023, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75, &end # # 11 ILE QD1 37 ILE HB 0.90 &rst ixpk= 0, nxpk= 0, iat= -1, 573, r1= 1.30, r2= 1.80, r3= 1.08, r4= 1.58, igr1= 163, 164, 165, &end # # 62 HIS HA 65 ILE HN 1.17 &rst ixpk= 0, nxpk= 0, iat= 948,1000, r1= 1.30, r2= 1.80, r3= 1.17, r4= 1.67, &end # # 68 ILE HN 68 ILE QG2 6.27 &rst ixpk= 0, nxpk= 0, iat=1052, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2=1058,1059,1060, &end # # 13 ARG QB 76 ILE QD1 0.90 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.21, r4= 1.71, igr1= 197, 198, igr2=1176,1177,1178, &end # # 13 ARG HE 73 VAL HA 1.10 &rst ixpk= 0, nxpk= 0, iat= 206,1127, r1= 1.30, r2= 1.80, r3= 1.10, r4= 1.60, &end # # 18 TYR QB 37 ILE QD1 0.90 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.21, r4= 1.71, igr1= 290, 291, igr2= 582, 583, 584, &end # # 11 ILE QD1 13 ARG HA 8.05 &rst ixpk= 0, nxpk= 0, iat= -1, 195, r1= 1.30, r2= 1.80, r3= 9.67, r4=10.17, igr1= 163, 164, 165, &end # # 64 LYS HA 68 ILE QD1 1.14 &rst ixpk= 0, nxpk= 0, iat= 980, -1, r1= 1.30, r2= 1.80, r3= 1.37, r4= 1.87, igr2=1065,1066,1067, &end # # 16 LEU HN 16 LEU QB 0.90 &rst ixpk= 0, nxpk= 0, iat= 243, -1, r1= 1.30, r2= 1.80, r3= 1.01, r4= 1.51, igr2= 247, 248, &end # # 15 ASP QB 16 LEU HN 6.32 &rst ixpk= 0, nxpk= 0, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr1= 235, 236, &end # # 47 HIS QB 80 THR HB 6.35 &rst ixpk= 0, nxpk= 0, iat= -1,1242, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63, igr1= 718, 719, &end # # 18 TYR HA 37 ILE QD1 1.12 &rst ixpk= 0, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 1.35, r4= 1.85, igr2= 582, 583, 584, &end # # 72 ALA HN 76 ILE QD1 1.18 &rst ixpk= 0, nxpk= 0, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 1.42, r4= 1.92, igr2=1176,1177,1178, &end # # 65 ILE HA 65 ILE QG1 0.91 &rst ixpk= 0, nxpk= 0, iat=1002, -1, r1= 1.30, r2= 1.80, r3= 1.02, r4= 1.52, igr2=1010,1011, &end # # 49 ILE HA 80 THR HB 1.15 &rst ixpk= 0, nxpk= 0, iat= 757,1242, r1= 1.30, r2= 1.80, r3= 1.15, r4= 1.65, &end # # 64 LYS HA 68 ILE HN 8.42 &rst ixpk= 0, nxpk= 0, iat= 980,1052, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92, &end # # 68 ILE HB 69 LEU HN 0.91 &rst ixpk= 0, nxpk= 0, iat=1056,1071, r1= 1.30, r2= 1.80, r3= 0.91, r4= 1.41, &end # # 28 ILE QG2 46 GLY QA 0.91 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.23, r4= 1.73, igr1= 441, 442, 443, igr2= 709, 710, &end # # 52 ILE QG2 53 ASN QB 6.44 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.68, r4= 9.18, igr1= 814, 815, 816, igr2= 831, 832, &end # # 60 THR QG2 65 ILE QD1 0.93 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.34, r4= 1.84, igr1= 924, 925, 926, igr2=1013,1014,1015, &end # # 68 ILE QG2 69 LEU HN 0.91 &rst ixpk= 0, nxpk= 0, iat= -1,1071, r1= 1.30, r2= 1.80, r3= 1.09, r4= 1.59, igr1=1058,1059,1060, &end # # 9 VAL QG2 10 LEU HN 6.39 &rst ixpk= 0, nxpk= 0, iat= -1, 131, r1= 1.30, r2= 1.80, r3= 7.67, r4= 8.17, igr1= 125, 126, 127, &end # # 49 ILE QG2 78 MET QB 6.39 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.61, r4= 9.11, igr1= 761, 762, 763, igr2=1203,1204, &end # # 29 ILE QG2 31 SER HN 6.41 &rst ixpk= 0, nxpk= 0, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20, igr1= 460, 461, 462, &end # # 45 VAL HN 45 VAL QG1 0.92 &rst ixpk= 0, nxpk= 0, iat= 691, -1, r1= 1.30, r2= 1.80, r3= 1.10, r4= 1.60, igr2= 697, 698, 699, &end # # 64 LYS QD 68 ILE QD1 7.86 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.60, r4=11.10, igr1= 988, 989, igr2=1065,1066,1067, &end # # 50 ILE QG2 58 VAL HB 6.42 &rst ixpk= 0, nxpk= 0, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 7.71, r4= 8.21, igr1= 780, 781, 782, &end # # 28 ILE HA 28 ILE QD1 0.92 &rst ixpk= 0, nxpk= 0, iat= 437, -1, r1= 1.30, r2= 1.80, r3= 1.10, r4= 1.60, igr2= 448, 449, 450, &end # # 65 ILE QG2 66 VAL HN 0.92 &rst ixpk= 0, nxpk= 0, iat= -1,1019, r1= 1.30, r2= 1.80, r3= 1.10, r4= 1.60, igr1=1006,1007,1008, &end # # 49 ILE QD1 78 MET QE 4.32 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73, igr1= 768, 769, 770, igr2=1210,1211,1212, &end # # 68 ILE QG2 69 LEU HA 6.46 &rst ixpk= 0, nxpk= 0, iat= -1,1073, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26, igr1=1058,1059,1060, &end # # 65 ILE HA 68 ILE QG2 7.38 &rst ixpk= 0, nxpk= 0, iat=1002, -1, r1= 1.30, r2= 1.80, r3= 8.86, r4= 9.36, igr2=1058,1059,1060, &end # # 13 ARG QD 76 ILE QD1 6.49 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25, igr1= 203, 204, igr2=1176,1177,1178, &end # # 47 HIS HA 82 PRO HA 0.93 &rst ixpk= 0, nxpk= 0, iat= 716,1279, r1= 1.30, r2= 1.80, r3= 0.93, r4= 1.43, &end # # 65 ILE HA 68 ILE HN 7.59 &rst ixpk= 0, nxpk= 0, iat=1002,1052, r1= 1.30, r2= 1.80, r3= 7.59, r4= 8.09, &end # # 28 ILE QG1 83 ALA QB 0.95 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.28, r4= 1.78, igr1= 445, 446, igr2=1287,1288,1289, &end # # 65 ILE HB 66 VAL HN 0.93 &rst ixpk= 0, nxpk= 0, iat=1004,1019, r1= 1.30, r2= 1.80, r3= 0.93, r4= 1.43, &end # # 11 ILE HN 11 ILE HB 0.93 &rst ixpk= 0, nxpk= 0, iat= 150, 154, r1= 1.30, r2= 1.80, r3= 0.93, r4= 1.43, &end # # 49 ILE HA 80 THR HA 0.93 &rst ixpk= 0, nxpk= 0, iat= 757,1240, r1= 1.30, r2= 1.80, r3= 0.93, r4= 1.43, &end # # 37 ILE HB 38 ALA HN 1.09 &rst ixpk= 0, nxpk= 0, iat= 573, 588, r1= 1.30, r2= 1.80, r3= 1.09, r4= 1.59, &end # # 62 HIS HA 65 ILE QD1 0.94 &rst ixpk= 0, nxpk= 0, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 1.13, r4= 1.63, igr2=1013,1014,1015, &end # # 71 ASN HN 71 ASN QB 0.93 &rst ixpk= 0, nxpk= 0, iat=1101, -1, r1= 1.30, r2= 1.80, r3= 1.04, r4= 1.54, igr2=1105,1106, &end # # 44 ARG HA 44 ARG QD 6.49 &rst ixpk= 0, nxpk= 0, iat= 669, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78, igr2= 677, 678, &end # # 28 ILE QG1 48 ARG QG 7.10 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.95, r4= 9.45, igr1= 445, 446, igr2= 738, 739, &end # # 34 ARG HA 34 ARG QG 0.93 &rst ixpk= 0, nxpk= 0, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 1.04, r4= 1.54, igr2= 538, 539, &end # # 9 VAL QG2 43 VAL HB 7.86 &rst ixpk= 0, nxpk= 0, iat= -1, 655, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94, igr1= 125, 126, 127, &end # # 57 VAL HA 65 ILE QD1 1.10 &rst ixpk= 0, nxpk= 0, iat= 878, -1, r1= 1.30, r2= 1.80, r3= 1.32, r4= 1.82, igr2=1013,1014,1015, &end # # 48 ARG QD 83 ALA QB 1.20 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.62, r4= 2.12, igr1= 741, 742, igr2=1287,1288,1289, &end # # 45 VAL QG2 46 GLY HN 6.51 &rst ixpk= 0, nxpk= 0, iat= -1, 707, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32, igr1= 701, 702, 703, &end # # 65 ILE QD1 66 VAL HN 8.12 &rst ixpk= 0, nxpk= 0, iat= -1,1019, r1= 1.30, r2= 1.80, r3= 9.75, r4=10.25, igr1=1013,1014,1015, &end # # 83 ALA QB 84 ALA HN 6.54 &rst ixpk= 0, nxpk= 0, iat= -1,1293, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35, igr1=1287,1288,1289, &end # # 48 ARG QB 83 ALA QB 6.54 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32, igr1= 735, 736, igr2=1287,1288,1289, &end # # 65 ILE HN 65 ILE QD1 0.94 &rst ixpk= 0, nxpk= 0, iat=1000, -1, r1= 1.30, r2= 1.80, r3= 1.13, r4= 1.63, igr2=1013,1014,1015, &end # # 52 ILE QG2 72 ALA QB 6.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02, igr1= 814, 815, 816, igr2=1119,1120,1121, &end # # 29 ILE QD1 47 HIS QB 6.53 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30, igr1= 467, 468, 469, igr2= 718, 719, &end # # 10 LEU HA 10 LEU QD2 6.53 &rst ixpk= 0, nxpk= 0, iat= 133, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34, igr2= 144, 145, 146, &end # # 53 ASN HA 77 HIS QB 6.53 &rst ixpk= 0, nxpk= 0, iat= 829, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83, igr2=1186,1187, &end # # 39 GLU HA 39 GLU QG 0.94 &rst ixpk= 0, nxpk= 0, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 1.06, r4= 1.56, igr2= 605, 606, &end # # 24 VAL QG1 27 GLY QA 0.94 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.27, r4= 1.77, igr1= 387, 388, 389, igr2= 430, 431, &end # # 78 MET QB 80 THR QG2 6.54 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32, igr1=1203,1204, igr2=1244,1245,1246, &end # # 50 ILE HA 50 ILE QD1 6.77 &rst ixpk= 0, nxpk= 0, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 8.13, r4= 8.63, igr2= 787, 788, 789, &end # # 11 ILE QD1 41 GLY QA 0.94 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.27, r4= 1.77, igr1= 163, 164, 165, igr2= 639, 640, &end # # 46 GLY QA 83 ALA QB 7.73 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.42, r4=10.92, igr1= 709, 710, igr2=1287,1288,1289, &end # # 52 ILE QG2 77 HIS HN 1.26 &rst ixpk= 0, nxpk= 0, iat= -1,1182, r1= 1.30, r2= 1.80, r3= 1.51, r4= 2.01, igr1= 814, 815, 816, &end # # 8 THR HN 8 THR QG2 6.58 &rst ixpk= 0, nxpk= 0, iat= 101, -1, r1= 1.30, r2= 1.80, r3= 7.90, r4= 8.40, igr2= 107, 108, 109, &end # # 29 ILE HA 29 ILE QD1 6.58 &rst ixpk= 0, nxpk= 0, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 7.90, r4= 8.40, igr2= 467, 468, 469, &end # # 57 VAL HB 60 THR QG2 0.95 &rst ixpk= 0, nxpk= 0, iat= 880, -1, r1= 1.30, r2= 1.80, r3= 1.14, r4= 1.64, igr2= 924, 925, 926, &end # # 52 ILE QG2 53 ASN QD2 6.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1= 814, 815, 816, igr2= 836, 837, &end # # 24 VAL HN 24 VAL QG1 0.96 &rst ixpk= 0, nxpk= 0, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 1.15, r4= 1.65, igr2= 387, 388, 389, &end # # 51 GLU QB 79 LYS QG 6.62 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.34, r4= 8.84, igr1= 797, 798, igr2=1223,1224, &end # # 32 LEU QD1 33 MET HN 1.21 &rst ixpk= 0, nxpk= 0, iat= -1, 514, r1= 1.30, r2= 1.80, r3= 1.45, r4= 1.95, igr1= 504, 505, 506, &end # # 40 ARG HN 40 ARG QG 0.94 &rst ixpk= 0, nxpk= 0, iat= 613, -1, r1= 1.30, r2= 1.80, r3= 1.06, r4= 1.56, igr2= 620, 621, &end # # 10 LEU QD2 75 GLU HA 6.60 &rst ixpk= 0, nxpk= 0, iat= -1,1150, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1= 144, 145, 146, &end # # 71 ASN QB 71 ASN QD2 0.94 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.18, r4= 1.68, igr1=1105,1106, igr2=1110,1111, &end # # 53 ASN QD2 76 ILE QG2 0.95 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.28, r4= 1.78, igr1= 836, 837, igr2=1169,1170,1171, &end # # 22 PHE QB 29 ILE QG2 6.69 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.02, r4= 9.52, igr1= 354, 355, igr2= 460, 461, 462, &end # # 24 VAL QG1 28 ILE HN 7.19 &rst ixpk= 0, nxpk= 0, iat= -1, 435, r1= 1.30, r2= 1.80, r3= 8.63, r4= 9.13, igr1= 387, 388, 389, &end # # 53 ASN QD2 72 ALA QB 0.95 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.28, r4= 1.78, igr1= 836, 837, igr2=1119,1120,1121, &end # # 13 ARG QB 37 ILE QD1 6.81 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68, igr1= 197, 198, igr2= 582, 583, 584, &end # # 57 VAL QG2 65 ILE QG1 6.84 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.22, r4= 9.72, igr1= 886, 887, 888, igr2=1010,1011, &end # # 78 MET QB 79 LYS HN 6.67 &rst ixpk= 0, nxpk= 0, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 7.49, r4= 7.99, igr1=1203,1204, &end # # 29 ILE HN 29 ILE QD1 6.67 &rst ixpk= 0, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 8.01, r4= 8.51, igr2= 467, 468, 469, &end # # 24 VAL HA 29 ILE HA 6.69 &rst ixpk= 0, nxpk= 0, iat= 383, 456, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19, &end # # 57 VAL HA 60 THR HB 6.67 &rst ixpk= 0, nxpk= 0, iat= 878, 922, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17, &end # # 9 VAL QG2 78 MET QB 6.69 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.02, r4= 9.52, igr1= 125, 126, 127, igr2=1203,1204, &end # # 10 LEU HN 10 LEU HG 8.10 &rst ixpk= 0, nxpk= 0, iat= 131, 138, r1= 1.30, r2= 1.80, r3= 8.10, r4= 8.60, &end # # 68 ILE HN 68 ILE QG1 0.95 &rst ixpk= 0, nxpk= 0, iat=1052, -1, r1= 1.30, r2= 1.80, r3= 1.07, r4= 1.57, igr2=1062,1063, &end # # 24 VAL HN 24 VAL QG2 0.96 &rst ixpk= 0, nxpk= 0, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 1.15, r4= 1.65, igr2= 391, 392, 393, &end # # 19 GLN HN 19 GLN QB 0.95 &rst ixpk= 0, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 1.07, r4= 1.57, igr2= 311, 312, &end # # 23 SER HN 29 ILE QG2 0.96 &rst ixpk= 0, nxpk= 0, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 1.15, r4= 1.65, igr2= 460, 461, 462, &end # # 38 ALA QB 39 GLU HN 6.70 &rst ixpk= 0, nxpk= 0, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55, igr1= 592, 593, 594, &end # # 65 ILE HA 65 ILE QD1 6.79 &rst ixpk= 0, nxpk= 0, iat=1002, -1, r1= 1.30, r2= 1.80, r3= 8.15, r4= 8.65, igr2=1013,1014,1015, &end # # 11 ILE HN 76 ILE HB 7.59 &rst ixpk= 0, nxpk= 0, iat= 150,1167, r1= 1.30, r2= 1.80, r3= 7.59, r4= 8.09, &end # # 57 VAL QG2 58 VAL HN 1.07 &rst ixpk= 0, nxpk= 0, iat= -1, 892, r1= 1.30, r2= 1.80, r3= 1.29, r4= 1.79, igr1= 886, 887, 888, &end # # 65 ILE HN 65 ILE QG2 0.96 &rst ixpk= 0, nxpk= 0, iat=1000, -1, r1= 1.30, r2= 1.80, r3= 1.15, r4= 1.65, igr2=1006,1007,1008, &end # # 28 ILE QD1 48 ARG QD 6.79 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65, igr1= 448, 449, 450, igr2= 741, 742, &end # # 13 ARG QD 73 VAL HA 6.72 &rst ixpk= 0, nxpk= 0, iat= -1,1127, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04, igr1= 203, 204, &end # # 73 VAL HN 76 ILE QD1 1.12 &rst ixpk= 0, nxpk= 0, iat=1125, -1, r1= 1.30, r2= 1.80, r3= 1.35, r4= 1.85, igr2=1176,1177,1178, &end # # 13 ARG HN 76 ILE QD1 1.09 &rst ixpk= 0, nxpk= 0, iat= 193, -1, r1= 1.30, r2= 1.80, r3= 1.31, r4= 1.81, igr2=1176,1177,1178, &end # # 11 ILE HN 76 ILE QD1 8.16 &rst ixpk= 0, nxpk= 0, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30, igr2=1176,1177,1178, &end # # 28 ILE HN 28 ILE QG1 6.79 &rst ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 7.62, r4= 8.12, igr2= 445, 446, &end # # 52 ILE HA 78 MET QG 7.75 &rst ixpk= 0, nxpk= 0, iat= 810, -1, r1= 1.30, r2= 1.80, r3= 8.70, r4= 9.20, igr2=1206,1207, &end # # 66 VAL HA 69 LEU HG 0.96 &rst ixpk= 0, nxpk= 0, iat=1021,1078, r1= 1.30, r2= 1.80, r3= 0.96, r4= 1.46, &end # # 33 MET HN 33 MET QB 0.97 &rst ixpk= 0, nxpk= 0, iat= 514, -1, r1= 1.30, r2= 1.80, r3= 1.09, r4= 1.59, igr2= 518, 519, &end # # 13 ARG QB 74 GLY HN 7.93 &rst ixpk= 0, nxpk= 0, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1= 197, 198, &end # # 48 ARG QD 50 ILE QG2 6.89 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.29, r4= 9.79, igr1= 741, 742, igr2= 780, 781, 782, &end # # 78 MET QG 79 LYS HN 1.14 &rst ixpk= 0, nxpk= 0, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 1.28, r4= 1.78, igr1=1206,1207, &end # # 78 MET HN 78 MET QG 7.68 &rst ixpk= 0, nxpk= 0, iat=1199, -1, r1= 1.30, r2= 1.80, r3= 8.62, r4= 9.12, igr2=1206,1207, &end # # 29 ILE HB 45 VAL HA 0.97 &rst ixpk= 0, nxpk= 0, iat= 458, 693, r1= 1.30, r2= 1.80, r3= 0.97, r4= 1.47, &end # # 64 LYS HA 67 HIS HN 6.79 &rst ixpk= 0, nxpk= 0, iat= 980,1035, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29, &end # # 28 ILE HN 28 ILE QG2 6.79 &rst ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 8.15, r4= 8.65, igr2= 441, 442, 443, &end # # 11 ILE QG1 38 ALA HA 0.97 &rst ixpk= 0, nxpk= 0, iat= -1, 590, r1= 1.30, r2= 1.80, r3= 1.09, r4= 1.59, igr1= 160, 161, &end # # 76 ILE HN 76 ILE QG2 6.79 &rst ixpk= 0, nxpk= 0, iat=1163, -1, r1= 1.30, r2= 1.80, r3= 8.15, r4= 8.65, igr2=1169,1170,1171, &end # # 69 LEU HA 69 LEU HG 0.97 &rst ixpk= 0, nxpk= 0, iat=1073,1078, r1= 1.30, r2= 1.80, r3= 0.97, r4= 1.47, &end # # 9 VAL QG1 43 VAL HN 1.00 &rst ixpk= 0, nxpk= 0, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 1.20, r4= 1.70, igr1= 121, 122, 123, &end # # 62 HIS HA 65 ILE HB 6.84 &rst ixpk= 0, nxpk= 0, iat= 948,1004, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34, &end # # 78 MET HN 78 MET QE 6.82 &rst ixpk= 0, nxpk= 0, iat=1199, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69, igr2=1210,1211,1212, &end # # 47 HIS QB 80 THR QG2 6.84 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.22, r4= 9.72, igr1= 718, 719, igr2=1244,1245,1246, &end # # 15 ASP HN 73 VAL QG1 7.30 &rst ixpk= 0, nxpk= 0, iat= 231, -1, r1= 1.30, r2= 1.80, r3= 8.77, r4= 9.27, igr2=1131,1132,1133, &end # # 59 ALA HN 59 ALA QB 0.98 &rst ixpk= 0, nxpk= 0, iat= 908, -1, r1= 1.30, r2= 1.80, r3= 1.18, r4= 1.68, igr2= 912, 913, 914, &end # # 10 LEU QB 11 ILE HN 7.79 &rst ixpk= 0, nxpk= 0, iat= -1, 150, r1= 1.30, r2= 1.80, r3= 8.74, r4= 9.24, igr1= 135, 136, &end # # 11 ILE HN 11 ILE QG2 0.99 &rst ixpk= 0, nxpk= 0, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 1.19, r4= 1.69, igr2= 156, 157, 158, &end # # 6 VAL HA 7 THR HB 7.59 &rst ixpk= 0, nxpk= 0, iat= 73, 91, r1= 1.30, r2= 1.80, r3= 7.59, r4= 8.09, &end # # 15 ASP HA 16 LEU HG 0.98 &rst ixpk= 0, nxpk= 0, iat= 233, 250, r1= 1.30, r2= 1.80, r3= 0.98, r4= 1.48, &end # # 50 ILE QD1 79 LYS QG 7.03 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.48, r4= 9.98, igr1= 787, 788, 789, igr2=1223,1224, &end # # 22 PHE QB 38 ALA QB 6.88 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.27, r4= 9.77, igr1= 354, 355, igr2= 592, 593, 594, &end # # 37 ILE HN 37 ILE HB 0.98 &rst ixpk= 0, nxpk= 0, iat= 569, 573, r1= 1.30, r2= 1.80, r3= 0.98, r4= 1.48, &end # # 28 ILE HA 28 ILE QG1 0.99 &rst ixpk= 0, nxpk= 0, iat= 437, -1, r1= 1.30, r2= 1.80, r3= 1.11, r4= 1.61, igr2= 445, 446, &end # # 32 LEU HA 32 LEU QD2 7.00 &rst ixpk= 0, nxpk= 0, iat= 497, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2= 508, 509, 510, &end # # 37 ILE HN 37 ILE QD1 6.91 &rst ixpk= 0, nxpk= 0, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80, igr2= 582, 583, 584, &end # # 49 ILE HA 49 ILE QD1 1.00 &rst ixpk= 0, nxpk= 0, iat= 757, -1, r1= 1.30, r2= 1.80, r3= 1.20, r4= 1.70, igr2= 768, 769, 770, &end # # 13 ARG QG 15 ASP HN 0.99 &rst ixpk= 0, nxpk= 0, iat= -1, 231, r1= 1.30, r2= 1.80, r3= 1.11, r4= 1.61, igr1= 200, 201, &end # # 27 GLY QA 65 ILE QG2 6.93 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84, igr1= 430, 431, igr2=1006,1007,1008, &end # # 28 ILE QD1 83 ALA HA 1.12 &rst ixpk= 0, nxpk= 0, iat= -1,1285, r1= 1.30, r2= 1.80, r3= 1.35, r4= 1.85, igr1= 448, 449, 450, &end # # 52 ILE HN 52 ILE QG2 1.00 &rst ixpk= 0, nxpk= 0, iat= 808, -1, r1= 1.30, r2= 1.80, r3= 1.20, r4= 1.70, igr2= 814, 815, 816, &end # # 13 ARG QG 73 VAL HA 0.99 &rst ixpk= 0, nxpk= 0, iat= -1,1127, r1= 1.30, r2= 1.80, r3= 1.11, r4= 1.61, igr1= 200, 201, &end # # 67 HIS QB 68 ILE HN 6.96 &rst ixpk= 0, nxpk= 0, iat= -1,1052, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31, igr1=1039,1040, &end # # 60 THR HB 65 ILE QG2 1.08 &rst ixpk= 0, nxpk= 0, iat= 922, -1, r1= 1.30, r2= 1.80, r3= 1.30, r4= 1.80, igr2=1006,1007,1008, &end # # 6 VAL HB 7 THR HA 1.24 &rst ixpk= 0, nxpk= 0, iat= 75, 89, r1= 1.30, r2= 1.80, r3= 1.24, r4= 1.74, &end # # 57 VAL HA 60 THR QG2 1.01 &rst ixpk= 0, nxpk= 0, iat= 878, -1, r1= 1.30, r2= 1.80, r3= 1.21, r4= 1.71, igr2= 924, 925, 926, &end # # 10 LEU HA 10 LEU HG 1.00 &rst ixpk= 0, nxpk= 0, iat= 133, 138, r1= 1.30, r2= 1.80, r3= 1.00, r4= 1.50, &end # # 9 VAL QG2 43 VAL HN 1.00 &rst ixpk= 0, nxpk= 0, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 1.20, r4= 1.70, igr1= 125, 126, 127, &end # # 22 PHE QB 32 LEU QD2 6.98 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.41, r4= 9.91, igr1= 354, 355, igr2= 508, 509, 510, &end # # 61 PRO QB 64 LYS HN 6.98 &rst ixpk= 0, nxpk= 0, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33, igr1= 939, 940, &end # # 9 VAL HN 80 THR QG2 1.06 &rst ixpk= 0, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 1.27, r4= 1.77, igr2=1244,1245,1246, &end # # 60 THR QG2 65 ILE QG2 6.98 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.07, r4=10.57, igr1= 924, 925, 926, igr2=1006,1007,1008, &end # # 73 VAL HN 73 VAL HB 1.00 &rst ixpk= 0, nxpk= 0, iat=1125,1129, r1= 1.30, r2= 1.80, r3= 1.00, r4= 1.50, &end # # 51 GLU QG 56 SER HA 1.00 &rst ixpk= 0, nxpk= 0, iat= -1, 867, r1= 1.30, r2= 1.80, r3= 1.12, r4= 1.62, igr1= 800, 801, &end # # 8 THR QG2 79 LYS HN 1.14 &rst ixpk= 0, nxpk= 0, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 1.37, r4= 1.87, igr1= 107, 108, 109, &end # # 11 ILE HN 76 ILE QG2 7.03 &rst ixpk= 0, nxpk= 0, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 8.44, r4= 8.94, igr2=1169,1170,1171, &end # # 44 ARG QB 44 ARG QD 1.01 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.27, r4= 1.77, igr1= 671, 672, igr2= 677, 678, &end # # 10 LEU HN 10 LEU QD2 8.09 &rst ixpk= 0, nxpk= 0, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 9.72, r4=10.22, igr2= 144, 145, 146, &end # # 10 LEU QD1 75 GLU QG 0.86 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.16, r4= 1.66, igr1= 140, 141, 142, igr2=1155,1156, &end # # 19 GLN HA 20 LEU QD1 1.05 &rst ixpk= 0, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 1.26, r4= 1.76, igr2= 333, 334, 335, &end # # 8 THR QG2 79 LYS HA 1.01 &rst ixpk= 0, nxpk= 0, iat= -1,1218, r1= 1.30, r2= 1.80, r3= 1.21, r4= 1.71, igr1= 107, 108, 109, &end # # 17 ARG HA 17 ARG QD 7.05 &rst ixpk= 0, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41, igr2= 272, 273, &end # # 57 VAL QG2 60 THR QG2 1.02 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.47, r4= 1.97, igr1= 886, 887, 888, igr2= 924, 925, 926, &end # # 49 ILE HA 50 ILE QG2 1.01 &rst ixpk= 0, nxpk= 0, iat= 757, -1, r1= 1.30, r2= 1.80, r3= 1.21, r4= 1.71, igr2= 780, 781, 782, &end # # 11 ILE HB 76 ILE HN 7.80 &rst ixpk= 0, nxpk= 0, iat= 154,1163, r1= 1.30, r2= 1.80, r3= 7.80, r4= 8.30, &end # # 20 LEU HA 20 LEU HG 1.01 &rst ixpk= 0, nxpk= 0, iat= 326, 331, r1= 1.30, r2= 1.80, r3= 1.01, r4= 1.51, &end # # 27 GLY HN 28 ILE QD1 7.14 &rst ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07, igr2= 448, 449, 450, &end # # 68 ILE HA 71 ASN QB 1.17 &rst ixpk= 0, nxpk= 0, iat=1054, -1, r1= 1.30, r2= 1.80, r3= 1.31, r4= 1.81, igr2=1105,1106, &end # # 32 LEU QD1 43 VAL HN 1.18 &rst ixpk= 0, nxpk= 0, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 1.42, r4= 1.92, igr1= 504, 505, 506, &end # # 26 ASN QB 28 ILE QD1 1.05 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.42, r4= 1.92, igr1= 418, 419, igr2= 448, 449, 450, &end # # 44 ARG HN 44 ARG QB 1.02 &rst ixpk= 0, nxpk= 0, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 1.14, r4= 1.64, igr2= 671, 672, &end # # 60 THR HB 65 ILE QG1 7.10 &rst ixpk= 0, nxpk= 0, iat= 922, -1, r1= 1.30, r2= 1.80, r3= 7.97, r4= 8.47, igr2=1010,1011, &end # # 28 ILE HB 29 ILE HN 1.09 &rst ixpk= 0, nxpk= 0, iat= 439, 454, r1= 1.30, r2= 1.80, r3= 1.09, r4= 1.59, &end # # 11 ILE HN 11 ILE QG1 7.14 &rst ixpk= 0, nxpk= 0, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 8.01, r4= 8.51, igr2= 160, 161, &end # # 12 ARG QG 75 GLU QG 1.03 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.30, r4= 1.80, igr1= 176, 177, igr2=1155,1156, &end # # 20 LEU HA 37 ILE HB 1.12 &rst ixpk= 0, nxpk= 0, iat= 326, 573, r1= 1.30, r2= 1.80, r3= 1.12, r4= 1.62, &end # # 13 ARG QB 73 VAL HA 1.02 &rst ixpk= 0, nxpk= 0, iat= -1,1127, r1= 1.30, r2= 1.80, r3= 1.14, r4= 1.64, igr1= 197, 198, &end # # 50 ILE HA 58 VAL HA 1.02 &rst ixpk= 0, nxpk= 0, iat= 776, 894, r1= 1.30, r2= 1.80, r3= 1.02, r4= 1.52, &end # # 28 ILE QG1 29 ILE HN 8.38 &rst ixpk= 0, nxpk= 0, iat= -1, 454, r1= 1.30, r2= 1.80, r3= 9.41, r4= 9.91, igr1= 445, 446, &end # # 82 PRO HA 83 ALA QB 1.02 &rst ixpk= 0, nxpk= 0, iat=1279, -1, r1= 1.30, r2= 1.80, r3= 1.22, r4= 1.72, igr2=1287,1288,1289, &end # # 28 ILE QG2 48 ARG HA 1.04 &rst ixpk= 0, nxpk= 0, iat= -1, 733, r1= 1.30, r2= 1.80, r3= 1.25, r4= 1.75, igr1= 441, 442, 443, &end # # 29 ILE QD1 80 THR HB 1.15 &rst ixpk= 0, nxpk= 0, iat= -1,1242, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, igr1= 467, 468, 469, &end # # 29 ILE QD1 43 VAL HA 1.02 &rst ixpk= 0, nxpk= 0, iat= -1, 653, r1= 1.30, r2= 1.80, r3= 1.22, r4= 1.72, igr1= 467, 468, 469, &end # # 29 ILE QD1 47 HIS HN 7.63 &rst ixpk= 0, nxpk= 0, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 9.16, r4= 9.66, igr1= 467, 468, 469, &end # # 29 ILE QG2 30 CYS HN 0.90 &rst ixpk= 0, nxpk= 0, iat= -1, 473, r1= 1.30, r2= 1.80, r3= 1.08, r4= 1.58, igr1= 460, 461, 462, &end # # 30 CYS QB 31 SER HN 1.18 &rst ixpk= 0, nxpk= 0, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 1.32, r4= 1.82, igr1= 477, 478, &end # # 29 ILE HA 29 ILE QG1 1.03 &rst ixpk= 0, nxpk= 0, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 1.16, r4= 1.66, igr2= 464, 465, &end # # 48 ARG HN 83 ALA QB 1.02 &rst ixpk= 0, nxpk= 0, iat= 731, -1, r1= 1.30, r2= 1.80, r3= 1.22, r4= 1.72, igr2=1287,1288,1289, &end # # 24 VAL QG2 28 ILE HN 7.19 &rst ixpk= 0, nxpk= 0, iat= -1, 435, r1= 1.30, r2= 1.80, r3= 8.63, r4= 9.13, igr1= 391, 392, 393, &end # # 44 ARG HA 45 VAL HB 1.03 &rst ixpk= 0, nxpk= 0, iat= 669, 695, r1= 1.30, r2= 1.80, r3= 1.03, r4= 1.53, &end # # 29 ILE QG2 32 LEU QB 7.19 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.69, r4=10.19, igr1= 460, 461, 462, igr2= 499, 500, &end # # 52 ILE QD1 57 VAL HN 7.63 &rst ixpk= 0, nxpk= 0, iat= -1, 876, r1= 1.30, r2= 1.80, r3= 9.16, r4= 9.66, igr1= 821, 822, 823, &end # # 57 VAL QG1 65 ILE HA 1.22 &rst ixpk= 0, nxpk= 0, iat= -1,1002, r1= 1.30, r2= 1.80, r3= 1.47, r4= 1.97, igr1= 882, 883, 884, &end # # 52 ILE QD1 65 ILE HA 1.05 &rst ixpk= 0, nxpk= 0, iat= -1,1002, r1= 1.30, r2= 1.80, r3= 1.26, r4= 1.76, igr1= 821, 822, 823, &end # # 50 ILE QG2 58 VAL HA 1.03 &rst ixpk= 0, nxpk= 0, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 1.24, r4= 1.74, igr1= 780, 781, 782, &end # # 50 ILE QD1 80 THR HN 8.47 &rst ixpk= 0, nxpk= 0, iat= -1,1238, r1= 1.30, r2= 1.80, r3=10.17, r4=10.67, igr1= 787, 788, 789, &end # # 50 ILE QG2 80 THR HA 1.03 &rst ixpk= 0, nxpk= 0, iat= -1,1240, r1= 1.30, r2= 1.80, r3= 1.24, r4= 1.74, igr1= 780, 781, 782, &end # # 71 ASN HN 72 ALA QB 1.03 &rst ixpk= 0, nxpk= 0, iat=1101, -1, r1= 1.30, r2= 1.80, r3= 1.24, r4= 1.74, igr2=1119,1120,1121, &end # # 63 GLU HA 66 VAL HN 1.03 &rst ixpk= 0, nxpk= 0, iat= 965,1019, r1= 1.30, r2= 1.80, r3= 1.03, r4= 1.53, &end # # 9 VAL HB 10 LEU HN 7.23 &rst ixpk= 0, nxpk= 0, iat= 119, 131, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73, &end # # 24 VAL HB 25 GLN HN 7.72 &rst ixpk= 0, nxpk= 0, iat= 385, 397, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, &end # # 30 CYS HN 30 CYS QB 1.03 &rst ixpk= 0, nxpk= 0, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 1.16, r4= 1.66, igr2= 477, 478, &end # # 53 ASN QD2 76 ILE HA 7.31 &rst ixpk= 0, nxpk= 0, iat= -1,1165, r1= 1.30, r2= 1.80, r3= 8.21, r4= 8.71, igr1= 836, 837, &end # # 21 GLY QA 33 MET QG 1.18 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.49, r4= 1.99, igr1= 345, 346, igr2= 521, 522, &end # # 10 LEU HN 10 LEU QD1 8.09 &rst ixpk= 0, nxpk= 0, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 9.72, r4=10.22, igr2= 140, 141, 142, &end # # 44 ARG QB 45 VAL HN 7.26 &rst ixpk= 0, nxpk= 0, iat= -1, 691, r1= 1.30, r2= 1.80, r3= 8.15, r4= 8.65, igr1= 671, 672, &end # # 79 LYS HN 80 THR QG2 1.04 &rst ixpk= 0, nxpk= 0, iat=1216, -1, r1= 1.30, r2= 1.80, r3= 1.25, r4= 1.75, igr2=1244,1245,1246, &end # # 8 THR HB 9 VAL HN 7.28 &rst ixpk= 0, nxpk= 0, iat= 105, 115, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78, &end # # 52 ILE QG2 78 MET HA 1.04 &rst ixpk= 0, nxpk= 0, iat= -1,1201, r1= 1.30, r2= 1.80, r3= 1.25, r4= 1.75, igr1= 814, 815, 816, &end # # 37 ILE HA 37 ILE QD1 1.05 &rst ixpk= 0, nxpk= 0, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 1.26, r4= 1.76, igr2= 582, 583, 584, &end # # 37 ILE HA 40 ARG HN 7.68 &rst ixpk= 0, nxpk= 0, iat= 571, 613, r1= 1.30, r2= 1.80, r3= 7.68, r4= 8.18, &end # # 15 ASP HN 73 VAL QG2 7.30 &rst ixpk= 0, nxpk= 0, iat= 231, -1, r1= 1.30, r2= 1.80, r3= 8.77, r4= 9.27, igr2=1135,1136,1137, &end # # 11 ILE QD1 37 ILE QD1 5.14 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 163, 164, 165, igr2= 582, 583, 584, &end # # 62 HIS HA 65 ILE QG2 7.33 &rst ixpk= 0, nxpk= 0, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30, igr2=1006,1007,1008, &end # # 68 ILE QD1 69 LEU HN 1.04 &rst ixpk= 0, nxpk= 0, iat= -1,1071, r1= 1.30, r2= 1.80, r3= 1.25, r4= 1.75, igr1=1065,1066,1067, &end # # 13 ARG HE 37 ILE QD1 1.12 &rst ixpk= 0, nxpk= 0, iat= 206, -1, r1= 1.30, r2= 1.80, r3= 1.35, r4= 1.85, igr2= 582, 583, 584, &end # # 49 ILE QG2 80 THR HA 7.35 &rst ixpk= 0, nxpk= 0, iat= -1,1240, r1= 1.30, r2= 1.80, r3= 8.83, r4= 9.33, igr1= 761, 762, 763, &end # # 13 ARG HN 37 ILE QD1 8.19 &rst ixpk= 0, nxpk= 0, iat= 193, -1, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34, igr2= 582, 583, 584, &end # # 29 ILE QG2 47 HIS HN 1.06 &rst ixpk= 0, nxpk= 0, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 1.27, r4= 1.77, igr1= 460, 461, 462, &end # # 27 GLY HN 65 ILE QD1 1.06 &rst ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 1.27, r4= 1.77, igr2=1013,1014,1015, &end # # 26 ASN HA 62 HIS QB 1.05 &rst ixpk= 0, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 1.18, r4= 1.68, igr2= 950, 951, &end # # 74 GLY HN 76 ILE QD1 1.07 &rst ixpk= 0, nxpk= 0, iat=1141, -1, r1= 1.30, r2= 1.80, r3= 1.29, r4= 1.79, igr2=1176,1177,1178, &end # # 60 THR QG2 61 PRO QB 1.12 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.51, r4= 2.01, igr1= 924, 925, 926, igr2= 939, 940, &end # # 65 ILE QG2 69 LEU HN 1.09 &rst ixpk= 0, nxpk= 0, iat= -1,1071, r1= 1.30, r2= 1.80, r3= 1.31, r4= 1.81, igr1=1006,1007,1008, &end # # 52 ILE HN 52 ILE QD1 7.37 &rst ixpk= 0, nxpk= 0, iat= 808, -1, r1= 1.30, r2= 1.80, r3= 8.85, r4= 9.35, igr2= 821, 822, 823, &end # # 60 THR QG2 65 ILE HA 1.06 &rst ixpk= 0, nxpk= 0, iat= -1,1002, r1= 1.30, r2= 1.80, r3= 1.27, r4= 1.77, igr1= 924, 925, 926, &end # # 45 VAL HA 46 GLY QA 1.10 &rst ixpk= 0, nxpk= 0, iat= 693, -1, r1= 1.30, r2= 1.80, r3= 1.23, r4= 1.73, igr2= 709, 710, &end # # 11 ILE QD1 41 GLY HN 8.07 &rst ixpk= 0, nxpk= 0, iat= -1, 637, r1= 1.30, r2= 1.80, r3= 9.69, r4=10.19, igr1= 163, 164, 165, &end # # 52 ILE QG2 53 ASN HA 1.05 &rst ixpk= 0, nxpk= 0, iat= -1, 829, r1= 1.30, r2= 1.80, r3= 1.26, r4= 1.76, igr1= 814, 815, 816, &end # # 10 LEU HG 11 ILE HN 7.42 &rst ixpk= 0, nxpk= 0, iat= 138, 150, r1= 1.30, r2= 1.80, r3= 7.42, r4= 7.92, &end # # 31 SER HN 45 VAL QG2 7.49 &rst ixpk= 0, nxpk= 0, iat= 484, -1, r1= 1.30, r2= 1.80, r3= 9.00, r4= 9.50, igr2= 701, 702, 703, &end # # 43 VAL HA 44 ARG HA 1.38 &rst ixpk= 0, nxpk= 0, iat= 653, 669, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, &end # # 9 VAL QG1 43 VAL HB 7.86 &rst ixpk= 0, nxpk= 0, iat= -1, 655, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94, igr1= 121, 122, 123, &end # # 37 ILE HA 37 ILE QG1 1.06 &rst ixpk= 0, nxpk= 0, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 1.19, r4= 1.69, igr2= 579, 580, &end # # 75 GLU QG 76 ILE HN 8.44 &rst ixpk= 0, nxpk= 0, iat= -1,1163, r1= 1.30, r2= 1.80, r3= 9.47, r4= 9.97, igr1=1155,1156, &end # # 50 ILE QG1 79 LYS QB 7.42 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.35, r4= 9.85, igr1= 784, 785, igr2=1220,1221, &end # # 27 GLY HN 65 ILE QG2 7.75 &rst ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 9.31, r4= 9.81, igr2=1006,1007,1008, &end # # 13 ARG HE 16 LEU HA 1.06 &rst ixpk= 0, nxpk= 0, iat= 206, 245, r1= 1.30, r2= 1.80, r3= 1.06, r4= 1.56, &end # # 67 HIS HA 71 ASN QD2 1.14 &rst ixpk= 0, nxpk= 0, iat=1037, -1, r1= 1.30, r2= 1.80, r3= 1.28, r4= 1.78, igr2=1110,1111, &end # # 38 ALA QB 43 VAL HN 1.06 &rst ixpk= 0, nxpk= 0, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 1.27, r4= 1.77, igr1= 592, 593, 594, &end # # 60 THR QG2 64 LYS HA 1.08 &rst ixpk= 0, nxpk= 0, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 1.30, r4= 1.80, igr1= 924, 925, 926, &end # # 49 ILE QG2 51 GLU HA 7.53 &rst ixpk= 0, nxpk= 0, iat= -1, 795, r1= 1.30, r2= 1.80, r3= 9.04, r4= 9.54, igr1= 761, 762, 763, &end # # 6 VAL HA 81 MET QB 7.46 &rst ixpk= 0, nxpk= 0, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 8.37, r4= 8.87, igr2=1256,1257, &end # # 44 ARG HN 44 ARG QD 8.17 &rst ixpk= 0, nxpk= 0, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 9.17, r4= 9.67, igr2= 677, 678, &end # # 29 ILE QD1 44 ARG HN 1.06 &rst ixpk= 0, nxpk= 0, iat= -1, 667, r1= 1.30, r2= 1.80, r3= 1.27, r4= 1.77, igr1= 467, 468, 469, &end # # 60 THR HN 65 ILE QD1 7.58 &rst ixpk= 0, nxpk= 0, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 9.10, r4= 9.60, igr2=1013,1014,1015, &end # # 44 ARG QD 45 VAL HN 1.16 &rst ixpk= 0, nxpk= 0, iat= -1, 691, r1= 1.30, r2= 1.80, r3= 1.30, r4= 1.80, igr1= 677, 678, &end # # 29 ILE QD1 49 ILE HN 1.08 &rst ixpk= 0, nxpk= 0, iat= -1, 755, r1= 1.30, r2= 1.80, r3= 1.30, r4= 1.80, igr1= 467, 468, 469, &end # # 79 LYS HA 79 LYS QD 0.84 &rst ixpk= 0, nxpk= 0, iat=1218, -1, r1= 1.30, r2= 1.80, r3= 0.94, r4= 1.44, igr2=1226,1227, &end # # 9 VAL HB 79 LYS HA 1.17 &rst ixpk= 0, nxpk= 0, iat= 119,1218, r1= 1.30, r2= 1.80, r3= 1.17, r4= 1.67, &end # # 10 LEU HA 11 ILE HN 0.86 &rst ixpk= 0, nxpk= 0, iat= 133, 150, r1= 1.30, r2= 1.80, r3= 0.86, r4= 1.36, &end # # 51 GLU HA 57 VAL QG1 6.47 &rst ixpk= 0, nxpk= 0, iat= 795, -1, r1= 1.30, r2= 1.80, r3= 7.77, r4= 8.27, igr2= 882, 883, 884, &end # # 22 PHE HA 32 LEU HA 0.93 &rst ixpk= 0, nxpk= 0, iat= 352, 497, r1= 1.30, r2= 1.80, r3= 0.93, r4= 1.43, &end # # 78 MET HA 78 MET QG 0.96 &rst ixpk= 0, nxpk= 0, iat=1201, -1, r1= 1.30, r2= 1.80, r3= 1.08, r4= 1.58, igr2=1206,1207, &end # # 52 ILE HA 78 MET HA 6.75 &rst ixpk= 0, nxpk= 0, iat= 810,1201, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, &end # # 8 THR HA 79 LYS HA 6.74 &rst ixpk= 0, nxpk= 0, iat= 103,1218, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, &end # # 49 ILE QG2 78 MET HA 6.88 &rst ixpk= 0, nxpk= 0, iat= -1,1201, r1= 1.30, r2= 1.80, r3= 8.26, r4= 8.76, igr1= 761, 762, 763, &end # # 6 VAL HA 81 MET HA 6.88 &rst ixpk= 0, nxpk= 0, iat= 73,1254, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38, &end # # 78 MET HA 78 MET QE 1.06 &rst ixpk= 0, nxpk= 0, iat=1201, -1, r1= 1.30, r2= 1.80, r3= 1.27, r4= 1.77, igr2=1210,1211,1212, &end # # 45 VAL HB 46 GLY HN 1.07 &rst ixpk= 0, nxpk= 0, iat= 695, 707, r1= 1.30, r2= 1.80, r3= 1.07, r4= 1.57, &end # # 9 VAL HA 10 LEU QB 8.10 &rst ixpk= 0, nxpk= 0, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59, igr2= 135, 136, &end # # 13 ARG QG 18 TYR QB 1.08 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.36, r4= 1.86, igr1= 200, 201, igr2= 290, 291, &end # # 47 HIS HN 83 ALA QB 1.23 &rst ixpk= 0, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 1.48, r4= 1.98, igr2=1287,1288,1289, &end # # 47 HIS QB 80 THR HA 1.19 &rst ixpk= 0, nxpk= 0, iat= -1,1240, r1= 1.30, r2= 1.80, r3= 1.34, r4= 1.84, igr1= 718, 719, &end # # 48 ARG HN 81 MET QB 1.22 &rst ixpk= 0, nxpk= 0, iat= 731, -1, r1= 1.30, r2= 1.80, r3= 1.37, r4= 1.87, igr2=1256,1257, &end # # 7 THR HN 81 MET QG 8.57 &rst ixpk= 0, nxpk= 0, iat= 87, -1, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12, igr2=1259,1260, &end # # 48 ARG HN 81 MET QG 1.22 &rst ixpk= 0, nxpk= 0, iat= 731, -1, r1= 1.30, r2= 1.80, r3= 1.37, r4= 1.87, igr2=1259,1260, &end # # 48 ARG HN 80 THR HB 7.73 &rst ixpk= 0, nxpk= 0, iat= 731,1242, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23, &end # # 48 ARG HA 49 ILE HB 1.20 &rst ixpk= 0, nxpk= 0, iat= 733, 759, r1= 1.30, r2= 1.80, r3= 1.20, r4= 1.70, &end # # 50 ILE QG2 81 MET QB 0.96 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.29, r4= 1.79, igr1= 780, 781, 782, igr2=1256,1257, &end # # 50 ILE HN 80 THR QG2 0.89 &rst ixpk= 0, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 1.07, r4= 1.57, igr2=1244,1245,1246, &end # # 79 LYS HA 80 THR QG2 0.93 &rst ixpk= 0, nxpk= 0, iat=1218, -1, r1= 1.30, r2= 1.80, r3= 1.12, r4= 1.62, igr2=1244,1245,1246, &end # # 9 VAL HN 79 LYS HA 7.56 &rst ixpk= 0, nxpk= 0, iat= 115,1218, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, &end # # 50 ILE QD1 79 LYS QD 1.14 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.54, r4= 2.04, igr1= 787, 788, 789, igr2=1226,1227, &end # # 8 THR QG2 79 LYS QD 7.67 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.34, r4=10.84, igr1= 107, 108, 109, igr2=1226,1227, &end # # 52 ILE QG2 54 GLY HN 1.16 &rst ixpk= 0, nxpk= 0, iat= -1, 841, r1= 1.30, r2= 1.80, r3= 1.39, r4= 1.89, igr1= 814, 815, 816, &end # # 76 ILE QG2 78 MET HA 1.14 &rst ixpk= 0, nxpk= 0, iat= -1,1201, r1= 1.30, r2= 1.80, r3= 1.37, r4= 1.87, igr1=1169,1170,1171, &end # # 78 MET HA 79 LYS QG 8.12 &rst ixpk= 0, nxpk= 0, iat=1201, -1, r1= 1.30, r2= 1.80, r3= 9.11, r4= 9.61, igr2=1223,1224, &end # # 49 ILE QD1 78 MET QB 8.44 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.38, r4=11.88, igr1= 768, 769, 770, igr2=1203,1204, &end # # 9 VAL HB 78 MET QG 8.12 &rst ixpk= 0, nxpk= 0, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 9.11, r4= 9.61, igr2=1206,1207, &end # # 76 ILE QG2 77 HIS HA 7.42 &rst ixpk= 0, nxpk= 0, iat= -1,1184, r1= 1.30, r2= 1.80, r3= 8.91, r4= 9.41, igr1=1169,1170,1171, &end # # 10 LEU QB 77 HIS HA 8.35 &rst ixpk= 0, nxpk= 0, iat= -1,1184, r1= 1.30, r2= 1.80, r3= 9.37, r4= 9.87, igr1= 135, 136, &end # # 77 HIS HA 78 MET QB 1.16 &rst ixpk= 0, nxpk= 0, iat=1184, -1, r1= 1.30, r2= 1.80, r3= 1.30, r4= 1.80, igr2=1203,1204, &end # # 76 ILE HA 77 HIS QB 1.16 &rst ixpk= 0, nxpk= 0, iat=1165, -1, r1= 1.30, r2= 1.80, r3= 1.30, r4= 1.80, igr2=1186,1187, &end # # 11 ILE QG2 75 GLU HA 1.15 &rst ixpk= 0, nxpk= 0, iat= -1,1150, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, igr1= 156, 157, 158, &end # # 75 GLU HA 76 ILE QG1 1.10 &rst ixpk= 0, nxpk= 0, iat=1150, -1, r1= 1.30, r2= 1.80, r3= 1.23, r4= 1.73, igr2=1173,1174, &end # # 16 LEU QD1 71 ASN QB 8.45 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.39, r4=11.89, igr1= 252, 253, 254, igr2=1105,1106, &end # # 68 ILE QG2 71 ASN QB 1.24 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.67, r4= 2.17, igr1=1058,1059,1060, igr2=1105,1106, &end # # 70 SER QB 71 ASN QD2 8.07 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.17, r4=10.67, igr1=1094,1095, igr2=1110,1111, &end # # 69 LEU HA 76 ILE QG2 7.86 &rst ixpk= 0, nxpk= 0, iat=1073, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94, igr2=1169,1170,1171, &end # # 69 LEU HG 70 SER HN 8.17 &rst ixpk= 0, nxpk= 0, iat=1078,1090, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67, &end # # 68 ILE HA 71 ASN HN 8.47 &rst ixpk= 0, nxpk= 0, iat=1054,1101, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97, &end # # 66 VAL HB 67 HIS HA 8.29 &rst ixpk= 0, nxpk= 0, iat=1023,1037, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79, &end # # 27 GLY QA 65 ILE QD1 0.91 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.23, r4= 1.73, igr1= 430, 431, igr2=1013,1014,1015, &end # # 67 HIS HA 70 SER QB 0.97 &rst ixpk= 0, nxpk= 0, iat=1037, -1, r1= 1.30, r2= 1.80, r3= 1.09, r4= 1.59, igr2=1094,1095, &end # # 67 HIS QB 68 ILE QD1 1.15 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.55, r4= 2.05, igr1=1039,1040, igr2=1065,1066,1067, &end # # 62 HIS HA 66 VAL HN 1.22 &rst ixpk= 0, nxpk= 0, iat= 948,1019, r1= 1.30, r2= 1.80, r3= 1.22, r4= 1.72, &end # # 65 ILE HA 69 LEU HN 1.22 &rst ixpk= 0, nxpk= 0, iat=1002,1071, r1= 1.30, r2= 1.80, r3= 1.22, r4= 1.72, &end # # 64 LYS HN 65 ILE HB 8.40 &rst ixpk= 0, nxpk= 0, iat= 978,1004, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90, &end # # 57 VAL HB 65 ILE QG1 0.97 &rst ixpk= 0, nxpk= 0, iat= 880, -1, r1= 1.30, r2= 1.80, r3= 1.09, r4= 1.59, igr2=1010,1011, &end # # 58 VAL QG1 59 ALA HN 1.15 &rst ixpk= 0, nxpk= 0, iat= -1, 908, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, igr1= 898, 899, 900, &end # # 57 VAL HN 58 VAL HA 1.23 &rst ixpk= 0, nxpk= 0, iat= 876, 894, r1= 1.30, r2= 1.80, r3= 1.23, r4= 1.73, &end # # 52 ILE HN 56 SER HA 1.19 &rst ixpk= 0, nxpk= 0, iat= 808, 867, r1= 1.30, r2= 1.80, r3= 1.19, r4= 1.69, &end # # 50 ILE QG2 51 GLU HN 7.67 &rst ixpk= 0, nxpk= 0, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 9.21, r4= 9.71, igr1= 780, 781, 782, &end # # 60 THR HB 64 LYS QB 7.42 &rst ixpk= 0, nxpk= 0, iat= 922, -1, r1= 1.30, r2= 1.80, r3= 8.33, r4= 8.83, igr2= 982, 983, &end # # 14 PRO HA 74 GLY HN 1.15 &rst ixpk= 0, nxpk= 0, iat= 227,1141, r1= 1.30, r2= 1.80, r3= 1.15, r4= 1.65, &end # # 37 ILE HA 40 ARG QB 6.60 &rst ixpk= 0, nxpk= 0, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 617, 618, &end # # 29 ILE QD1 45 VAL HA 8.40 &rst ixpk= 0, nxpk= 0, iat= -1, 693, r1= 1.30, r2= 1.80, r3=10.09, r4=10.59, igr1= 467, 468, 469, &end # # 6 VAL HA 82 PRO QD 8.21 &rst ixpk= 0, nxpk= 0, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 9.22, r4= 9.72, igr2=1270,1271, &end # # 60 THR HA 61 PRO QB 1.21 &rst ixpk= 0, nxpk= 0, iat= 920, -1, r1= 1.30, r2= 1.80, r3= 1.36, r4= 1.86, igr2= 939, 940, &end # # 50 ILE HA 58 VAL HB 6.75 &rst ixpk= 0, nxpk= 0, iat= 776, 896, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, &end # # 50 ILE HA 57 VAL HN 1.14 &rst ixpk= 0, nxpk= 0, iat= 776, 876, r1= 1.30, r2= 1.80, r3= 1.14, r4= 1.64, &end # # 53 ASN QB 76 ILE HA 1.23 &rst ixpk= 0, nxpk= 0, iat= -1,1165, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, igr1= 831, 832, &end # # 62 HIS HA 65 ILE QG1 8.51 &rst ixpk= 0, nxpk= 0, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 9.55, r4=10.05, igr2=1010,1011, &end # # 7 THR QG2 9 VAL HA 1.16 &rst ixpk= 0, nxpk= 0, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 1.39, r4= 1.89, igr1= 93, 94, 95, &end # # 9 VAL HA 42 GLY QA 1.21 &rst ixpk= 0, nxpk= 0, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 1.36, r4= 1.86, igr2= 646, 647, &end # # 39 GLU HA 43 VAL HB 1.09 &rst ixpk= 0, nxpk= 0, iat= 600, 655, r1= 1.30, r2= 1.80, r3= 1.09, r4= 1.59, &end # # 32 LEU HG 39 GLU HA 7.80 &rst ixpk= 0, nxpk= 0, iat= 502, 600, r1= 1.30, r2= 1.80, r3= 7.80, r4= 8.30, &end # # 28 ILE HA 29 ILE HB 8.14 &rst ixpk= 0, nxpk= 0, iat= 437, 458, r1= 1.30, r2= 1.80, r3= 8.14, r4= 8.64, &end # # 28 ILE HA 48 ARG HA 1.00 &rst ixpk= 0, nxpk= 0, iat= 437, 733, r1= 1.30, r2= 1.80, r3= 1.00, r4= 1.50, &end # # 63 GLU QB 64 LYS HA 7.93 &rst ixpk= 0, nxpk= 0, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1= 967, 968, &end # # 64 LYS HA 64 LYS QE 8.49 &rst ixpk= 0, nxpk= 0, iat= 980, -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03, igr2= 991, 992, &end # # 18 TYR HA 19 GLN QG 7.72 &rst ixpk= 0, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 8.67, r4= 9.17, igr2= 314, 315, &end # # 17 ARG QB 18 TYR HA 8.28 &rst ixpk= 0, nxpk= 0, iat= -1, 288, r1= 1.30, r2= 1.80, r3= 9.29, r4= 9.79, igr1= 266, 267, &end # # 31 SER HA 31 SER QB 0.75 &rst ixpk= 0, nxpk= 0, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 0.84, r4= 1.34, igr2= 488, 489, &end # # 32 LEU HG 34 ARG HA 1.27 &rst ixpk= 0, nxpk= 0, iat= 502, 533, r1= 1.30, r2= 1.80, r3= 1.27, r4= 1.77, &end # # 20 LEU HA 22 PHE QD 1.23 &rst ixpk= 0, nxpk= 0, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, igr2= 358, 366, &end # # 1 GLU HA 1 GLU QG 0.95 &rst ixpk= 0, nxpk= 0, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 1.07, r4= 1.57, igr2= 11, 12, &end # # 13 ARG QD 16 LEU HA 8.14 &rst ixpk= 0, nxpk= 0, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64, igr1= 203, 204, &end # # 22 PHE HA 32 LEU QB 8.49 &rst ixpk= 0, nxpk= 0, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03, igr2= 499, 500, &end # # 22 PHE HA 38 ALA QB 1.28 &rst ixpk= 0, nxpk= 0, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 1.54, r4= 2.04, igr2= 592, 593, 594, &end # # 51 GLU HA 52 ILE HB 7.61 &rst ixpk= 0, nxpk= 0, iat= 795, 812, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, &end # # 51 GLU HA 56 SER HA 5.60 &rst ixpk= 0, nxpk= 0, iat= 795, 867, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end # # 51 GLU HA 58 VAL HN 1.21 &rst ixpk= 0, nxpk= 0, iat= 795, 892, r1= 1.30, r2= 1.80, r3= 1.21, r4= 1.71, &end # # 19 GLN HA 19 GLN QG 0.84 &rst ixpk= 0, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 0.94, r4= 1.44, igr2= 314, 315, &end # # 37 ILE QG1 38 ALA HA 1.17 &rst ixpk= 0, nxpk= 0, iat= -1, 590, r1= 1.30, r2= 1.80, r3= 1.31, r4= 1.81, igr1= 579, 580, &end # # 33 MET HA 34 ARG QB 7.26 &rst ixpk= 0, nxpk= 0, iat= 516, -1, r1= 1.30, r2= 1.80, r3= 8.15, r4= 8.65, igr2= 535, 536, &end # # 50 ILE QD1 79 LYS HA 8.65 &rst ixpk= 0, nxpk= 0, iat= -1,1218, r1= 1.30, r2= 1.80, r3=10.39, r4=10.89, igr1= 787, 788, 789, &end # # 78 MET QB 79 LYS HA 1.29 &rst ixpk= 0, nxpk= 0, iat= -1,1218, r1= 1.30, r2= 1.80, r3= 1.45, r4= 1.95, igr1=1203,1204, &end # # 79 LYS HA 79 LYS QE 1.29 &rst ixpk= 0, nxpk= 0, iat=1218, -1, r1= 1.30, r2= 1.80, r3= 1.45, r4= 1.95, igr2=1229,1230, &end # # 26 ASN HA 28 ILE QD1 8.38 &rst ixpk= 0, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3=10.06, r4=10.56, igr2= 448, 449, 450, &end # # 26 ASN HA 28 ILE HN 9.22 &rst ixpk= 0, nxpk= 0, iat= 416, 435, r1= 1.30, r2= 1.80, r3= 9.22, r4= 9.72, &end # # 53 ASN HA 54 GLY QA 1.16 &rst ixpk= 0, nxpk= 0, iat= 829, -1, r1= 1.30, r2= 1.80, r3= 1.30, r4= 1.80, igr2= 843, 844, &end # # 51 GLU QG 53 ASN HA 1.29 &rst ixpk= 0, nxpk= 0, iat= -1, 829, r1= 1.30, r2= 1.80, r3= 1.45, r4= 1.95, igr1= 800, 801, &end # # 51 GLU HN 78 MET HA 1.22 &rst ixpk= 0, nxpk= 0, iat= 793,1201, r1= 1.30, r2= 1.80, r3= 1.22, r4= 1.72, &end # # 54 GLY QA 55 GLN HA 7.65 &rst ixpk= 0, nxpk= 0, iat= -1, 850, r1= 1.30, r2= 1.80, r3= 8.59, r4= 9.09, igr1= 843, 844, &end # # 55 GLN HA 56 SER QB 8.61 &rst ixpk= 0, nxpk= 0, iat= 850, -1, r1= 1.30, r2= 1.80, r3= 9.66, r4=10.16, igr2= 869, 870, &end # # 47 HIS QB 81 MET HA 1.27 &rst ixpk= 0, nxpk= 0, iat= -1,1254, r1= 1.30, r2= 1.80, r3= 1.43, r4= 1.93, igr1= 718, 719, &end # # 15 ASP HA 73 VAL HB 1.02 &rst ixpk= 0, nxpk= 0, iat= 233,1129, r1= 1.30, r2= 1.80, r3= 1.02, r4= 1.52, &end # # 15 ASP HA 16 LEU HA 7.96 &rst ixpk= 0, nxpk= 0, iat= 233, 245, r1= 1.30, r2= 1.80, r3= 7.96, r4= 8.46, &end # # 48 ARG QB 83 ALA HA 0.98 &rst ixpk= 0, nxpk= 0, iat= -1,1285, r1= 1.30, r2= 1.80, r3= 1.10, r4= 1.60, igr1= 735, 736, &end # # 61 PRO QD 64 LYS QB 0.91 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.15, r4= 1.65, igr1= 933, 934, igr2= 982, 983, &end # # 31 SER HA 32 LEU QB 1.23 &rst ixpk= 0, nxpk= 0, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, igr2= 499, 500, &end # # 24 VAL QG2 27 GLY QA 0.94 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.27, r4= 1.77, igr1= 391, 392, 393, igr2= 430, 431, &end # # 27 GLY QA 49 ILE HB 8.65 &rst ixpk= 0, nxpk= 0, iat= -1, 759, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21, igr1= 430, 431, &end # # 27 GLY QA 49 ILE QG1 1.27 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.60, r4= 2.10, igr1= 430, 431, igr2= 765, 766, &end # # 35 GLY QA 39 GLU QB 8.72 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.99, r4=11.49, igr1= 557, 558, igr2= 602, 603, &end # # 11 ILE QG1 41 GLY QA 1.25 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.57, r4= 2.07, igr1= 160, 161, igr2= 639, 640, &end # # 74 GLY QA 75 GLU HA 1.02 &rst ixpk= 0, nxpk= 0, iat= -1,1150, r1= 1.30, r2= 1.80, r3= 1.14, r4= 1.64, igr1=1143,1144, &end # # 33 MET QB 36 GLY QA 1.13 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.42, r4= 1.92, igr1= 518, 519, igr2= 564, 565, &end # # 17 ARG QG 17 ARG QD 0.74 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 0.93, r4= 1.43, igr1= 269, 270, igr2= 272, 273, &end # # 48 ARG QG 48 ARG QD 0.74 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 0.93, r4= 1.43, igr1= 738, 739, igr2= 741, 742, &end # # 15 ASP QB 16 LEU HG 1.13 &rst ixpk= 0, nxpk= 0, iat= -1, 250, r1= 1.30, r2= 1.80, r3= 1.27, r4= 1.77, igr1= 235, 236, &end # # 51 GLU QB 79 LYS QE 1.27 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.60, r4= 2.10, igr1= 797, 798, igr2=1229,1230, &end # # 20 LEU QB 21 GLY QA 8.54 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.76, r4=11.26, igr1= 328, 329, igr2= 345, 346, &end # # 20 LEU QB 22 PHE HN 8.57 &rst ixpk= 0, nxpk= 0, iat= -1, 350, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12, igr1= 328, 329, &end # # 10 LEU HA 11 ILE HB 8.47 &rst ixpk= 0, nxpk= 0, iat= 133, 154, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97, &end # # 22 PHE QB 32 LEU QB 8.26 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.41, r4=10.91, igr1= 354, 355, igr2= 499, 500, &end # # 22 PHE QB 32 LEU HA 8.16 &rst ixpk= 0, nxpk= 0, iat= -1, 497, r1= 1.30, r2= 1.80, r3= 9.16, r4= 9.66, igr1= 354, 355, &end # # 48 ARG QG 49 ILE HB 1.26 &rst ixpk= 0, nxpk= 0, iat= -1, 759, r1= 1.30, r2= 1.80, r3= 1.41, r4= 1.91, igr1= 738, 739, &end # # 68 ILE HB 69 LEU HA 1.24 &rst ixpk= 0, nxpk= 0, iat=1056,1073, r1= 1.30, r2= 1.80, r3= 1.24, r4= 1.74, &end # # 67 HIS QB 68 ILE HB 8.98 &rst ixpk= 0, nxpk= 0, iat= -1,1056, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58, igr1=1039,1040, &end # # 5 ASN QB 82 PRO QG 1.12 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.41, r4= 1.91, igr1= 61, 62, igr2=1273,1274, &end # # 9 VAL QG1 78 MET QB 6.69 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.02, r4= 9.52, igr1= 121, 122, 123, igr2=1203,1204, &end # # 60 THR QG2 65 ILE HB 8.37 &rst ixpk= 0, nxpk= 0, iat= -1,1004, r1= 1.30, r2= 1.80, r3=10.05, r4=10.55, igr1= 924, 925, 926, &end # # 51 GLU QG 79 LYS QB 7.82 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.85, r4=10.35, igr1= 800, 801, igr2=1220,1221, &end # # 51 GLU HN 51 GLU QG 8.68 &rst ixpk= 0, nxpk= 0, iat= 793, -1, r1= 1.30, r2= 1.80, r3= 9.74, r4=10.24, igr2= 800, 801, &end # # 35 GLY HN 39 GLU QG 1.30 &rst ixpk= 0, nxpk= 0, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 1.46, r4= 1.96, igr2= 605, 606, &end # # 74 GLY QA 75 GLU QG 1.22 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.54, r4= 2.04, igr1=1143,1144, igr2=1155,1156, &end # # 13 ARG QD 73 VAL HB 1.25 &rst ixpk= 0, nxpk= 0, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 1.40, r4= 1.90, igr1= 203, 204, &end # # 73 VAL HB 74 GLY QA 8.70 &rst ixpk= 0, nxpk= 0, iat=1129, -1, r1= 1.30, r2= 1.80, r3= 9.77, r4=10.27, igr2=1143,1144, &end # # 13 ARG HN 73 VAL HB 8.78 &rst ixpk= 0, nxpk= 0, iat= 193,1129, r1= 1.30, r2= 1.80, r3= 8.78, r4= 9.28, &end # # 51 GLU QB 55 GLN HN 8.56 &rst ixpk= 0, nxpk= 0, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11, igr1= 797, 798, &end # # 24 VAL HB 29 ILE HA 8.42 &rst ixpk= 0, nxpk= 0, iat= 385, 456, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92, &end # # 9 VAL HB 78 MET QB 1.02 &rst ixpk= 0, nxpk= 0, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 1.14, r4= 1.64, igr2=1203,1204, &end # # 8 THR QG2 9 VAL HB 8.68 &rst ixpk= 0, nxpk= 0, iat= -1, 119, r1= 1.30, r2= 1.80, r3=10.42, r4=10.92, igr1= 107, 108, 109, &end # # 9 VAL HB 80 THR QG2 7.95 &rst ixpk= 0, nxpk= 0, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 9.55, r4=10.05, igr2=1244,1245,1246, &end # # 8 THR HA 9 VAL HB 1.19 &rst ixpk= 0, nxpk= 0, iat= 103, 119, r1= 1.30, r2= 1.80, r3= 1.19, r4= 1.69, &end # # 9 VAL HB 77 HIS HA 1.27 &rst ixpk= 0, nxpk= 0, iat= 119,1184, r1= 1.30, r2= 1.80, r3= 1.27, r4= 1.77, &end # # 9 VAL HB 78 MET HA 9.13 &rst ixpk= 0, nxpk= 0, iat= 119,1201, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, &end # # 44 ARG QB 47 HIS QB 8.66 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.91, r4=11.41, igr1= 671, 672, igr2= 718, 719, &end # # 29 ILE QG2 47 HIS QB 1.19 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.60, r4= 2.10, igr1= 460, 461, 462, igr2= 718, 719, &end # # 29 ILE QG1 47 HIS QB 1.28 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.61, r4= 2.11, igr1= 464, 465, igr2= 718, 719, &end # # 29 ILE HB 47 HIS QB 8.85 &rst ixpk= 0, nxpk= 0, iat= 458, -1, r1= 1.30, r2= 1.80, r3= 9.93, r4=10.43, igr2= 718, 719, &end # # 47 HIS QB 48 ARG QB 1.27 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.60, r4= 2.10, igr1= 718, 719, igr2= 735, 736, &end # # 46 GLY HN 47 HIS QB 9.22 &rst ixpk= 0, nxpk= 0, iat= 707, -1, r1= 1.30, r2= 1.80, r3=10.35, r4=10.85, igr2= 718, 719, &end # # 6 VAL HB 79 LYS QB 1.16 &rst ixpk= 0, nxpk= 0, iat= 75, -1, r1= 1.30, r2= 1.80, r3= 1.30, r4= 1.80, igr2=1220,1221, &end # # 32 LEU HA 33 MET QB 8.52 &rst ixpk= 0, nxpk= 0, iat= 497, -1, r1= 1.30, r2= 1.80, r3= 9.56, r4=10.06, igr2= 518, 519, &end # # 13 ARG QB 13 ARG HE 8.59 &rst ixpk= 0, nxpk= 0, iat= -1, 206, r1= 1.30, r2= 1.80, r3= 9.64, r4=10.14, igr1= 197, 198, &end # # 62 HIS QB 63 GLU QB 1.23 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.55, r4= 2.05, igr1= 950, 951, igr2= 967, 968, &end # # 82 PRO QB 84 ALA QB 8.77 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.82, r4=12.32, igr1=1276,1277, igr2=1297,1298,1299, &end # # 82 PRO QB 83 ALA QB 8.38 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.30, r4=11.80, igr1=1276,1277, igr2=1287,1288,1289, &end # # 53 ASN HN 78 MET QG 1.27 &rst ixpk= 0, nxpk= 0, iat= 827, -1, r1= 1.30, r2= 1.80, r3= 1.43, r4= 1.93, igr2=1206,1207, &end # # 43 VAL HA 44 ARG QB 8.75 &rst ixpk= 0, nxpk= 0, iat= 653, -1, r1= 1.30, r2= 1.80, r3= 9.82, r4=10.32, igr2= 671, 672, &end # # 66 VAL HB 67 HIS QB 1.07 &rst ixpk= 0, nxpk= 0, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 1.20, r4= 1.70, igr2=1039,1040, &end # # 64 LYS QB 67 HIS QB 7.67 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.66, r4=10.16, igr1= 982, 983, igr2=1039,1040, &end # # 25 GLN QG 30 CYS QB 7.54 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.50, r4=10.00, igr1= 404, 405, igr2= 477, 478, &end # # 25 GLN QB 30 CYS QB 1.21 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.52, r4= 2.02, igr1= 401, 402, igr2= 477, 478, &end # # 29 ILE HA 30 CYS QB 8.42 &rst ixpk= 0, nxpk= 0, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 9.45, r4= 9.95, igr2= 477, 478, &end # # 25 GLN HN 30 CYS QB 1.31 &rst ixpk= 0, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 1.47, r4= 1.97, igr2= 477, 478, &end # # 64 LYS HN 65 ILE QG1 1.22 &rst ixpk= 0, nxpk= 0, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 1.37, r4= 1.87, igr2=1010,1011, &end # # 32 LEU HG 39 GLU QB 1.12 &rst ixpk= 0, nxpk= 0, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 1.26, r4= 1.76, igr2= 602, 603, &end # # 8 THR HA 79 LYS QD 8.72 &rst ixpk= 0, nxpk= 0, iat= 103, -1, r1= 1.30, r2= 1.80, r3= 9.79, r4=10.29, igr2=1226,1227, &end # # 79 LYS HN 79 LYS QD 8.82 &rst ixpk= 0, nxpk= 0, iat=1216, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40, igr2=1226,1227, &end # # 65 ILE HA 68 ILE QG1 1.21 &rst ixpk= 0, nxpk= 0, iat=1002, -1, r1= 1.30, r2= 1.80, r3= 1.36, r4= 1.86, igr2=1062,1063, &end # # 64 LYS QG 68 ILE QG1 1.28 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.61, r4= 2.11, igr1= 985, 986, igr2=1062,1063, &end # # 12 ARG QB 12 ARG QG 0.73 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 0.92, r4= 1.42, igr1= 173, 174, igr2= 176, 177, &end # # 12 ARG QG 74 GLY QA 9.21 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.60, r4=12.10, igr1= 176, 177, igr2=1143,1144, &end # # 12 ARG QG 75 GLU HN 1.20 &rst ixpk= 0, nxpk= 0, iat= -1,1148, r1= 1.30, r2= 1.80, r3= 1.35, r4= 1.85, igr1= 176, 177, &end # # 12 ARG QG 13 ARG HN 8.99 &rst ixpk= 0, nxpk= 0, iat= -1, 193, r1= 1.30, r2= 1.80, r3=10.09, r4=10.59, igr1= 176, 177, &end # # 10 LEU HG 75 GLU QG 8.09 &rst ixpk= 0, nxpk= 0, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58, igr2=1155,1156, &end # # 28 ILE QG1 48 ARG HA 7.93 &rst ixpk= 0, nxpk= 0, iat= -1, 733, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1= 445, 446, &end # # 81 MET HA 82 PRO QG 1.22 &rst ixpk= 0, nxpk= 0, iat=1254, -1, r1= 1.30, r2= 1.80, r3= 1.37, r4= 1.87, igr2=1273,1274, &end # # 48 ARG HA 49 ILE QG1 1.27 &rst ixpk= 0, nxpk= 0, iat= 733, -1, r1= 1.30, r2= 1.80, r3= 1.43, r4= 1.93, igr2= 765, 766, &end # # 40 ARG QG 41 GLY HN 8.16 &rst ixpk= 0, nxpk= 0, iat= -1, 637, r1= 1.30, r2= 1.80, r3= 9.16, r4= 9.66, igr1= 620, 621, &end # # 10 LEU HG 75 GLU HA 1.21 &rst ixpk= 0, nxpk= 0, iat= 138,1150, r1= 1.30, r2= 1.80, r3= 1.21, r4= 1.71, &end # # 13 ARG QG 16 LEU HA 1.28 &rst ixpk= 0, nxpk= 0, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 1.44, r4= 1.94, igr1= 200, 201, &end # # 48 ARG QG 81 MET QG 1.21 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.52, r4= 2.02, igr1= 738, 739, igr2=1259,1260, &end # # 48 ARG HA 48 ARG QG 1.06 &rst ixpk= 0, nxpk= 0, iat= 733, -1, r1= 1.30, r2= 1.80, r3= 1.19, r4= 1.69, igr2= 738, 739, &end # # 48 ARG QG 50 ILE QG2 0.91 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.23, r4= 1.73, igr1= 738, 739, igr2= 780, 781, 782, &end # # 48 ARG QG 50 ILE HA 8.68 &rst ixpk= 0, nxpk= 0, iat= -1, 776, r1= 1.30, r2= 1.80, r3= 9.74, r4=10.24, igr1= 738, 739, &end # # 48 ARG HN 48 ARG QG 1.19 &rst ixpk= 0, nxpk= 0, iat= 731, -1, r1= 1.30, r2= 1.80, r3= 1.34, r4= 1.84, igr2= 738, 739, &end # # 32 LEU QD2 43 VAL HN 1.18 &rst ixpk= 0, nxpk= 0, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 1.42, r4= 1.92, igr1= 508, 509, 510, &end # # 63 GLU QB 64 LYS QG 1.17 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.47, r4= 1.97, igr1= 967, 968, igr2= 985, 986, &end # # 16 LEU QD2 17 ARG HN 1.32 &rst ixpk= 0, nxpk= 0, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 1.59, r4= 2.09, igr1= 256, 257, 258, &end # # 16 LEU QD2 71 ASN QB 8.45 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.39, r4=11.89, igr1= 256, 257, 258, igr2=1105,1106, &end # # 31 SER QB 45 VAL QG2 1.13 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.52, r4= 2.02, igr1= 488, 489, igr2= 701, 702, 703, &end # # 19 GLN HA 20 LEU QD2 1.05 &rst ixpk= 0, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 1.26, r4= 1.76, igr2= 337, 338, 339, &end # # 60 THR QG2 64 LYS QB 0.69 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 0.93, r4= 1.43, igr1= 924, 925, 926, igr2= 982, 983, &end # # 60 THR QG2 64 LYS QE 1.12 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.51, r4= 2.01, igr1= 924, 925, 926, igr2= 991, 992, &end # # 8 THR QG2 9 VAL HA 0.98 &rst ixpk= 0, nxpk= 0, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 1.18, r4= 1.68, igr1= 107, 108, 109, &end # # 8 THR QG2 77 HIS HA 8.68 &rst ixpk= 0, nxpk= 0, iat= -1,1184, r1= 1.30, r2= 1.80, r3=10.42, r4=10.92, igr1= 107, 108, 109, &end # # 8 THR QG2 77 HIS QB 1.26 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.70, r4= 2.20, igr1= 107, 108, 109, igr2=1186,1187, &end # # 7 THR QG2 9 VAL HN 8.03 &rst ixpk= 0, nxpk= 0, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 9.64, r4=10.14, igr1= 93, 94, 95, &end # # 31 SER QB 45 VAL QG1 1.13 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.52, r4= 2.02, igr1= 488, 489, igr2= 697, 698, 699, &end # # 31 SER HN 45 VAL QG1 7.49 &rst ixpk= 0, nxpk= 0, iat= 484, -1, r1= 1.30, r2= 1.80, r3= 9.00, r4= 9.50, igr2= 697, 698, 699, &end # # 13 ARG QG 73 VAL QG1 6.02 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.11, r4= 8.61, igr1= 200, 201, igr2=1131,1132,1133, &end # # 83 ALA HN 84 ALA QB 1.20 &rst ixpk= 0, nxpk= 0, iat=1283, -1, r1= 1.30, r2= 1.80, r3= 1.44, r4= 1.94, igr2=1297,1298,1299, &end # # 57 VAL QG1 65 ILE QG1 6.84 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.22, r4= 9.72, igr1= 882, 883, 884, igr2=1010,1011, &end # # 78 MET QG 80 THR QG2 7.77 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.47, r4=10.97, igr1=1206,1207, igr2=1244,1245,1246, &end # # 57 VAL QG1 58 VAL HN 1.07 &rst ixpk= 0, nxpk= 0, iat= -1, 892, r1= 1.30, r2= 1.80, r3= 1.29, r4= 1.79, igr1= 882, 883, 884, &end # # 51 GLU HN 80 THR QG2 1.10 &rst ixpk= 0, nxpk= 0, iat= 793, -1, r1= 1.30, r2= 1.80, r3= 1.32, r4= 1.82, igr2=1244,1245,1246, &end # # 81 MET HN 83 ALA QB 1.27 &rst ixpk= 0, nxpk= 0, iat=1252, -1, r1= 1.30, r2= 1.80, r3= 1.53, r4= 2.03, igr2=1287,1288,1289, &end # # 57 VAL QG2 65 ILE HA 1.22 &rst ixpk= 0, nxpk= 0, iat= -1,1002, r1= 1.30, r2= 1.80, r3= 1.47, r4= 1.97, igr1= 886, 887, 888, &end # # 49 ILE QG2 50 ILE HA 1.02 &rst ixpk= 0, nxpk= 0, iat= -1, 776, r1= 1.30, r2= 1.80, r3= 1.22, r4= 1.72, igr1= 761, 762, 763, &end # # 49 ILE QG2 52 ILE HN 1.18 &rst ixpk= 0, nxpk= 0, iat= -1, 808, r1= 1.30, r2= 1.80, r3= 1.42, r4= 1.92, igr1= 761, 762, 763, &end # # 37 ILE HN 38 ALA QB 8.80 &rst ixpk= 0, nxpk= 0, iat= 569, -1, r1= 1.30, r2= 1.80, r3=10.57, r4=11.07, igr2= 592, 593, 594, &end # # 29 ILE QG2 45 VAL HB 7.10 &rst ixpk= 0, nxpk= 0, iat= -1, 695, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1= 460, 461, 462, &end # # 29 ILE QG2 32 LEU HA 7.89 &rst ixpk= 0, nxpk= 0, iat= -1, 497, r1= 1.30, r2= 1.80, r3= 9.48, r4= 9.98, igr1= 460, 461, 462, &end # # 29 ILE QG2 44 ARG HN 8.07 &rst ixpk= 0, nxpk= 0, iat= -1, 667, r1= 1.30, r2= 1.80, r3= 9.69, r4=10.19, igr1= 460, 461, 462, &end # # 24 VAL HA 29 ILE QG2 1.22 &rst ixpk= 0, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 1.47, r4= 1.97, igr2= 460, 461, 462, &end # # 57 VAL HA 59 ALA QB 8.77 &rst ixpk= 0, nxpk= 0, iat= 878, -1, r1= 1.30, r2= 1.80, r3=10.53, r4=11.03, igr2= 912, 913, 914, &end # # 37 ILE QG2 40 ARG QB 1.17 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.58, r4= 2.08, igr1= 575, 576, 577, igr2= 617, 618, &end # # 18 TYR QB 37 ILE QG2 1.25 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.69, r4= 2.19, igr1= 290, 291, igr2= 575, 576, 577, &end # # 37 ILE QG2 40 ARG QD 1.23 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.66, r4= 2.16, igr1= 575, 576, 577, igr2= 623, 624, &end # # 14 PRO QD 37 ILE QG2 8.65 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.66, r4=12.16, igr1= 218, 219, igr2= 575, 576, 577, &end # # 11 ILE HA 37 ILE QG2 1.19 &rst ixpk= 0, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 1.43, r4= 1.93, igr2= 575, 576, 577, &end # # 36 GLY QA 37 ILE QG2 7.75 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.45, r4=10.95, igr1= 564, 565, igr2= 575, 576, 577, &end # # 13 ARG HA 37 ILE QG2 1.22 &rst ixpk= 0, nxpk= 0, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 1.47, r4= 1.97, igr2= 575, 576, 577, &end # # 37 ILE QG2 37 ILE QG1 0.85 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.15, r4= 1.65, igr1= 575, 576, 577, igr2= 579, 580, &end # # 68 ILE HA 72 ALA QB 1.17 &rst ixpk= 0, nxpk= 0, iat=1054, -1, r1= 1.30, r2= 1.80, r3= 1.41, r4= 1.91, igr2=1119,1120,1121, &end # # 71 ASN QB 72 ALA QB 1.23 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.66, r4= 2.16, igr1=1105,1106, igr2=1119,1120,1121, &end # # 69 LEU HN 72 ALA QB 8.75 &rst ixpk= 0, nxpk= 0, iat=1071, -1, r1= 1.30, r2= 1.80, r3=10.51, r4=11.01, igr2=1119,1120,1121, &end # # 11 ILE QD1 13 ARG QB 0.94 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.27, r4= 1.77, igr1= 163, 164, 165, igr2= 197, 198, &end # # 11 ILE QD1 37 ILE HA 1.20 &rst ixpk= 0, nxpk= 0, iat= -1, 571, r1= 1.30, r2= 1.80, r3= 1.44, r4= 1.94, igr1= 163, 164, 165, &end # # 11 ILE QD1 13 ARG QD 8.56 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04, igr1= 163, 164, 165, igr2= 203, 204, &end # # 11 ILE QD1 38 ALA HN 8.12 &rst ixpk= 0, nxpk= 0, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 9.75, r4=10.25, igr1= 163, 164, 165, &end # # 11 ILE QD1 13 ARG HN 1.12 &rst ixpk= 0, nxpk= 0, iat= -1, 193, r1= 1.30, r2= 1.80, r3= 1.35, r4= 1.85, igr1= 163, 164, 165, &end # # 11 ILE QD1 37 ILE HN 1.16 &rst ixpk= 0, nxpk= 0, iat= -1, 569, r1= 1.30, r2= 1.80, r3= 1.39, r4= 1.89, igr1= 163, 164, 165, &end # # 50 ILE QG2 58 VAL HN 1.26 &rst ixpk= 0, nxpk= 0, iat= -1, 892, r1= 1.30, r2= 1.80, r3= 1.51, r4= 2.01, igr1= 780, 781, 782, &end # # 28 ILE QG2 29 ILE HB 1.03 &rst ixpk= 0, nxpk= 0, iat= -1, 458, r1= 1.30, r2= 1.80, r3= 1.24, r4= 1.74, igr1= 441, 442, 443, &end # # 28 ILE QG2 30 CYS QB 7.91 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.66, r4=11.16, igr1= 441, 442, 443, igr2= 477, 478, &end # # 28 ILE QG2 47 HIS HN 1.10 &rst ixpk= 0, nxpk= 0, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 1.32, r4= 1.82, igr1= 441, 442, 443, &end # # 28 ILE QG2 49 ILE HN 8.24 &rst ixpk= 0, nxpk= 0, iat= -1, 755, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40, igr1= 441, 442, 443, &end # # 69 LEU QQD 76 ILE QG2 5.46 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.84, r4= 9.34, igr1=1084,1085,1086,1080,1081,1082, igr2=1169,1170,1171, &end # # 76 ILE QG2 77 HIS QB 1.20 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.62, r4= 2.12, igr1=1169,1170,1171, igr2=1186,1187, &end # # 53 ASN QB 76 ILE QG2 8.16 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.00, r4=11.50, igr1= 831, 832, igr2=1169,1170,1171, &end # # 43 VAL HA 78 MET QE 7.37 &rst ixpk= 0, nxpk= 0, iat= 653, -1, r1= 1.30, r2= 1.80, r3= 8.85, r4= 9.35, igr2=1210,1211,1212, &end # # 9 VAL HA 78 MET QE 1.09 &rst ixpk= 0, nxpk= 0, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 1.31, r4= 1.81, igr2=1210,1211,1212, &end # # 10 LEU HA 78 MET QE 8.44 &rst ixpk= 0, nxpk= 0, iat= 133, -1, r1= 1.30, r2= 1.80, r3=10.14, r4=10.64, igr2=1210,1211,1212, &end # # 78 MET QE 80 THR HN 8.72 &rst ixpk= 0, nxpk= 0, iat= -1,1238, r1= 1.30, r2= 1.80, r3=10.47, r4=10.97, igr1=1210,1211,1212, &end # # 78 MET QE 79 LYS HN 1.06 &rst ixpk= 0, nxpk= 0, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 1.27, r4= 1.77, igr1=1210,1211,1212, &end # # 13 ARG HA 76 ILE QD1 8.26 &rst ixpk= 0, nxpk= 0, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 9.92, r4=10.42, igr2=1176,1177,1178, &end # # 49 ILE QD1 78 MET QG 1.14 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.54, r4= 2.04, igr1= 768, 769, 770, igr2=1206,1207, &end # # 27 GLY QA 49 ILE QD1 8.09 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.91, r4=11.41, igr1= 430, 431, igr2= 768, 769, 770, &end # # 28 ILE HA 49 ILE QD1 9.10 &rst ixpk= 0, nxpk= 0, iat= 437, -1, r1= 1.30, r2= 1.80, r3=10.93, r4=11.43, igr2= 768, 769, 770, &end # # 49 ILE QD1 51 GLU HN 8.10 &rst ixpk= 0, nxpk= 0, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 9.73, r4=10.23, igr1= 768, 769, 770, &end # # 29 ILE HN 49 ILE QD1 1.13 &rst ixpk= 0, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 1.36, r4= 1.86, igr2= 768, 769, 770, &end # # 52 ILE QD1 57 VAL HB 0.97 &rst ixpk= 0, nxpk= 0, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 1.16, r4= 1.66, igr1= 821, 822, 823, &end # # 52 ILE HA 52 ILE QD1 7.37 &rst ixpk= 0, nxpk= 0, iat= 810, -1, r1= 1.30, r2= 1.80, r3= 8.85, r4= 9.35, igr2= 821, 822, 823, &end # # 51 GLU HA 52 ILE QD1 8.14 &rst ixpk= 0, nxpk= 0, iat= 795, -1, r1= 1.30, r2= 1.80, r3= 9.78, r4=10.28, igr2= 821, 822, 823, &end # # 52 ILE QD1 78 MET QG 7.95 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.72, r4=11.22, igr1= 821, 822, 823, igr2=1206,1207, &end # # 11 ILE QG2 13 ARG QB 1.07 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.44, r4= 1.94, igr1= 156, 157, 158, igr2= 197, 198, &end # # 11 ILE QG2 37 ILE HB 1.16 &rst ixpk= 0, nxpk= 0, iat= -1, 573, r1= 1.30, r2= 1.80, r3= 1.39, r4= 1.89, igr1= 156, 157, 158, &end # # 11 ILE QG2 41 GLY QA 1.13 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.52, r4= 2.02, igr1= 156, 157, 158, igr2= 639, 640, &end # # 11 ILE QG2 12 ARG HN 8.24 &rst ixpk= 0, nxpk= 0, iat= -1, 169, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40, igr1= 156, 157, 158, &end # # 64 LYS QG 68 ILE QD1 5.79 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.80, r4= 8.30, igr1= 985, 986, igr2=1065,1066,1067, &end # # 13 ARG HA 37 ILE QD1 6.32 &rst ixpk= 0, nxpk= 0, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 7.59, r4= 8.09, igr2= 582, 583, 584, &end # # 55 GLN QE2 68 ILE QD1 1.15 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.55, r4= 2.05, igr1= 860, 861, igr2=1065,1066,1067, &end # # 18 TYR HN 37 ILE QD1 1.25 &rst ixpk= 0, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 1.50, r4= 2.00, igr2= 582, 583, 584, &end # # 37 ILE QD1 38 ALA HN 8.29 &rst ixpk= 0, nxpk= 0, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 9.96, r4=10.46, igr1= 582, 583, 584, &end # # 12 ARG HN 37 ILE QD1 8.26 &rst ixpk= 0, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 9.92, r4=10.42, igr2= 582, 583, 584, &end # # 14 PRO QD 37 ILE QD1 7.44 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.03, r4=10.53, igr1= 218, 219, igr2= 582, 583, 584, &end # # 68 ILE HA 68 ILE QD1 0.91 &rst ixpk= 0, nxpk= 0, iat=1054, -1, r1= 1.30, r2= 1.80, r3= 1.09, r4= 1.59, igr2=1065,1066,1067, &end # # 64 LYS QE 68 ILE QD1 0.95 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.28, r4= 1.78, igr1= 991, 992, igr2=1065,1066,1067, &end # # 29 ILE QG2 29 ILE QD1 0.69 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.00, r4= 1.50, igr1= 460, 461, 462, igr2= 467, 468, 469, &end # # 29 ILE QD1 49 ILE QG1 6.35 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, igr1= 467, 468, 469, igr2= 765, 766, &end # # 65 ILE QG2 65 ILE QD1 0.66 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 0.95, r4= 1.45, igr1=1006,1007,1008, igr2=1013,1014,1015, &end # # 50 ILE QD1 81 MET QG 0.96 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.29, r4= 1.79, igr1= 787, 788, 789, igr2=1259,1260, &end # # 60 THR HA 65 ILE QD1 8.40 &rst ixpk= 0, nxpk= 0, iat= 920, -1, r1= 1.30, r2= 1.80, r3=10.09, r4=10.59, igr2=1013,1014,1015, &end # # 50 ILE QD1 51 GLU HN 7.84 &rst ixpk= 0, nxpk= 0, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92, igr1= 787, 788, 789, &end # # 50 ILE HN 50 ILE QD1 6.95 &rst ixpk= 0, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, igr2= 787, 788, 789, &end # # 28 ILE QD1 48 ARG HA 0.98 &rst ixpk= 0, nxpk= 0, iat= -1, 733, r1= 1.30, r2= 1.80, r3= 1.18, r4= 1.68, igr1= 448, 449, 450, &end # # 27 GLY QA 28 ILE QD1 1.21 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.63, r4= 2.13, igr1= 430, 431, igr2= 448, 449, 450, &end # # 28 ILE QD1 49 ILE HN 1.14 &rst ixpk= 0, nxpk= 0, iat= -1, 755, r1= 1.30, r2= 1.80, r3= 1.37, r4= 1.87, igr1= 448, 449, 450, &end # # 68 ILE QG2 72 ALA QB 0.78 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.12, r4= 1.62, igr1=1058,1059,1060, igr2=1119,1120,1121, &end # # 53 ASN QB 72 ALA QB 9.08 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.24, r4=12.74, igr1= 831, 832, igr2=1119,1120,1121, &end # # 12 ARG QD 75 GLU QG 1.08 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.36, r4= 1.86, igr1= 179, 180, igr2=1155,1156, &end # # 11 ILE HA 12 ARG QB 1.08 &rst ixpk= 0, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 1.21, r4= 1.71, igr2= 173, 174, &end # # 12 ARG QB 74 GLY QA 1.25 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.57, r4= 2.07, igr1= 173, 174, igr2=1143,1144, &end # # 12 ARG QB 12 ARG QD 0.81 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.02, r4= 1.52, igr1= 173, 174, igr2= 179, 180, &end # # 11 ILE QD1 12 ARG QB 8.73 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.77, r4=12.27, igr1= 163, 164, 165, igr2= 173, 174, &end # # 12 ARG HN 12 ARG QB 0.89 &rst ixpk= 0, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 1.00, r4= 1.50, igr2= 173, 174, &end # # 12 ARG QB 13 ARG HN 1.10 &rst ixpk= 0, nxpk= 0, iat= -1, 193, r1= 1.30, r2= 1.80, r3= 1.23, r4= 1.73, igr1= 173, 174, &end # # 48 ARG HA 48 ARG QD 8.70 &rst ixpk= 0, nxpk= 0, iat= 733, -1, r1= 1.30, r2= 1.80, r3= 9.77, r4=10.27, igr2= 741, 742, &end # # 12 ARG HA 12 ARG QD 1.19 &rst ixpk= 0, nxpk= 0, iat= 171, -1, r1= 1.30, r2= 1.80, r3= 1.34, r4= 1.84, igr2= 179, 180, &end # # 12 ARG QD 75 GLU HA 8.09 &rst ixpk= 0, nxpk= 0, iat= -1,1150, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58, igr1= 179, 180, &end # # 14 PRO QD 15 ASP HN 1.22 &rst ixpk= 0, nxpk= 0, iat= -1, 231, r1= 1.30, r2= 1.80, r3= 1.37, r4= 1.87, igr1= 218, 219, &end # # 13 ARG HN 14 PRO QD 9.17 &rst ixpk= 0, nxpk= 0, iat= 193, -1, r1= 1.30, r2= 1.80, r3=10.29, r4=10.79, igr2= 218, 219, &end # # 19 GLN QB 19 GLN QG 0.74 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 0.93, r4= 1.43, igr1= 311, 312, igr2= 314, 315, &end # # 19 GLN HN 19 GLN QG 6.47 &rst ixpk= 0, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 7.26, r4= 7.76, igr2= 314, 315, &end # # 23 SER QB 29 ILE QG2 1.11 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.50, r4= 2.00, igr1= 374, 375, igr2= 460, 461, 462, &end # # 23 SER QB 29 ILE HA 8.98 &rst ixpk= 0, nxpk= 0, iat= -1, 456, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58, igr1= 374, 375, &end # # 23 SER QB 24 VAL HN 1.07 &rst ixpk= 0, nxpk= 0, iat= -1, 381, r1= 1.30, r2= 1.80, r3= 1.20, r4= 1.70, igr1= 374, 375, &end # # 25 GLN QB 26 ASN QB 1.28 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.61, r4= 2.11, igr1= 401, 402, igr2= 418, 419, &end # # 25 GLN QG 26 ASN QB 9.62 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.12, r4=12.62, igr1= 404, 405, igr2= 418, 419, &end # # 34 ARG QB 35 GLY HN 7.17 &rst ixpk= 0, nxpk= 0, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55, igr1= 535, 536, &end # # 34 ARG HA 34 ARG QD 6.72 &rst ixpk= 0, nxpk= 0, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04, igr2= 541, 542, &end # # 34 ARG QD 35 GLY HN 1.10 &rst ixpk= 0, nxpk= 0, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 1.23, r4= 1.73, igr1= 541, 542, &end # # 43 VAL HA 44 ARG QG 1.10 &rst ixpk= 0, nxpk= 0, iat= 653, -1, r1= 1.30, r2= 1.80, r3= 1.23, r4= 1.73, igr2= 674, 675, &end # # 44 ARG HN 44 ARG QG 0.95 &rst ixpk= 0, nxpk= 0, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 1.07, r4= 1.57, igr2= 674, 675, &end # # 44 ARG QG 45 VAL HN 1.04 &rst ixpk= 0, nxpk= 0, iat= -1, 691, r1= 1.30, r2= 1.80, r3= 1.17, r4= 1.67, igr1= 674, 675, &end # # 28 ILE HA 48 ARG QB 1.23 &rst ixpk= 0, nxpk= 0, iat= 437, -1, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, igr2= 735, 736, &end # # 48 ARG QB 48 ARG QD 0.95 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.20, r4= 1.70, igr1= 735, 736, igr2= 741, 742, &end # # 48 ARG QB 81 MET QG 1.11 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.40, r4= 1.90, igr1= 735, 736, igr2=1259,1260, &end # # 28 ILE QD1 48 ARG QB 6.23 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90, igr1= 448, 449, 450, igr2= 735, 736, &end # # 48 ARG QB 81 MET HN 1.02 &rst ixpk= 0, nxpk= 0, iat= -1,1252, r1= 1.30, r2= 1.80, r3= 1.14, r4= 1.64, igr1= 735, 736, &end # # 49 ILE HN 49 ILE QG1 0.94 &rst ixpk= 0, nxpk= 0, iat= 755, -1, r1= 1.30, r2= 1.80, r3= 1.06, r4= 1.56, igr2= 765, 766, &end # # 50 ILE QG1 81 MET QG 8.63 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.87, r4=11.37, igr1= 784, 785, igr2=1259,1260, &end # # 49 ILE HA 50 ILE QG1 8.56 &rst ixpk= 0, nxpk= 0, iat= 757, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11, igr2= 784, 785, &end # # 50 ILE QG1 80 THR HA 1.14 &rst ixpk= 0, nxpk= 0, iat= -1,1240, r1= 1.30, r2= 1.80, r3= 1.28, r4= 1.78, igr1= 784, 785, &end # # 50 ILE QG1 51 GLU HN 1.04 &rst ixpk= 0, nxpk= 0, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 1.17, r4= 1.67, igr1= 784, 785, &end # # 50 ILE HN 50 ILE QG1 6.81 &rst ixpk= 0, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, igr2= 784, 785, &end # # 63 GLU HA 63 GLU QB 0.76 &rst ixpk= 0, nxpk= 0, iat= 965, -1, r1= 1.30, r2= 1.80, r3= 0.85, r4= 1.35, igr2= 967, 968, &end # # 63 GLU QB 63 GLU QG 0.70 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 0.88, r4= 1.38, igr1= 967, 968, igr2= 970, 971, &end # # 63 GLU QB 65 ILE HN 9.29 &rst ixpk= 0, nxpk= 0, iat= -1,1000, r1= 1.30, r2= 1.80, r3=10.43, r4=10.93, igr1= 967, 968, &end # # 63 GLU QB 66 VAL HN 1.22 &rst ixpk= 0, nxpk= 0, iat= -1,1019, r1= 1.30, r2= 1.80, r3= 1.37, r4= 1.87, igr1= 967, 968, &end # # 63 GLU HA 63 GLU QG 0.91 &rst ixpk= 0, nxpk= 0, iat= 965, -1, r1= 1.30, r2= 1.80, r3= 1.02, r4= 1.52, igr2= 970, 971, &end # # 63 GLU QG 64 LYS QG 1.23 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.55, r4= 2.05, igr1= 970, 971, igr2= 985, 986, &end # # 63 GLU QG 64 LYS HN 7.49 &rst ixpk= 0, nxpk= 0, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 970, 971, &end # # 63 GLU HN 63 GLU QG 6.96 &rst ixpk= 0, nxpk= 0, iat= 963, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31, igr2= 970, 971, &end # # 63 GLU QG 64 LYS HA 1.28 &rst ixpk= 0, nxpk= 0, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 1.44, r4= 1.94, igr1= 970, 971, &end # # 64 LYS QB 65 ILE HN 6.63 &rst ixpk= 0, nxpk= 0, iat= -1,1000, r1= 1.30, r2= 1.80, r3= 7.44, r4= 7.94, igr1= 982, 983, &end # # 60 THR HA 64 LYS QB 8.29 &rst ixpk= 0, nxpk= 0, iat= 920, -1, r1= 1.30, r2= 1.80, r3= 9.31, r4= 9.81, igr2= 982, 983, &end # # 64 LYS QB 64 LYS QE 7.26 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65, igr1= 982, 983, igr2= 991, 992, &end # # 64 LYS QG 64 LYS QE 0.81 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.02, r4= 1.52, igr1= 985, 986, igr2= 991, 992, &end # # 69 LEU HA 69 LEU QQD 0.69 &rst ixpk= 0, nxpk= 0, iat=1073, -1, r1= 1.30, r2= 1.80, r3= 0.93, r4= 1.43, igr2=1084,1085,1086,1080,1081,1082, &end # # 69 LEU HN 69 LEU QQD 0.94 &rst ixpk= 0, nxpk= 0, iat=1071, -1, r1= 1.30, r2= 1.80, r3= 1.27, r4= 1.77, igr2=1084,1085,1086,1080,1081,1082, &end # # 11 ILE HN 76 ILE QG1 1.26 &rst ixpk= 0, nxpk= 0, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 1.41, r4= 1.91, igr2=1173,1174, &end # # 75 GLU HN 76 ILE QG1 8.99 &rst ixpk= 0, nxpk= 0, iat=1148, -1, r1= 1.30, r2= 1.80, r3=10.09, r4=10.59, igr2=1173,1174, &end # # 73 VAL HN 76 ILE QG1 8.77 &rst ixpk= 0, nxpk= 0, iat=1125, -1, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34, igr2=1173,1174, &end # # 76 ILE HA 76 ILE QG1 0.92 &rst ixpk= 0, nxpk= 0, iat=1165, -1, r1= 1.30, r2= 1.80, r3= 1.03, r4= 1.53, igr2=1173,1174, &end # # 37 ILE HN 37 ILE QG1 7.23 &rst ixpk= 0, nxpk= 0, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 8.12, r4= 8.62, igr2= 579, 580, &end # # 8 THR HA 79 LYS QG 1.09 &rst ixpk= 0, nxpk= 0, iat= 103, -1, r1= 1.30, r2= 1.80, r3= 1.22, r4= 1.72, igr2=1223,1224, &end # # 79 LYS QG 79 LYS QD 0.67 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 0.84, r4= 1.34, igr1=1223,1224, igr2=1226,1227, &end # # 8 THR QG2 79 LYS QG 0.95 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.28, r4= 1.78, igr1= 107, 108, 109, igr2=1223,1224, &end # # 79 LYS QG 80 THR HN 1.12 &rst ixpk= 0, nxpk= 0, iat= -1,1238, r1= 1.30, r2= 1.80, r3= 1.26, r4= 1.76, igr1=1223,1224, &end # # 61 PRO QG 64 LYS HN 7.31 &rst ixpk= 0, nxpk= 0, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 8.21, r4= 8.71, igr1= 936, 937, &end # # 61 PRO QG 64 LYS QD 1.06 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.34, r4= 1.84, igr1= 936, 937, igr2= 988, 989, &end # # 60 THR QG2 61 PRO QG 6.72 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56, igr1= 924, 925, 926, igr2= 936, 937, &end # # 5 ASN QB 82 PRO QD 8.12 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.23, r4=10.73, igr1= 61, 62, igr2=1270,1271, &end # # 6 VAL HA 81 MET QG 1.03 &rst ixpk= 0, nxpk= 0, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 1.16, r4= 1.66, igr2=1259,1260, &end # # 10 LEU HG 12 ARG QD 7.91 &rst ixpk= 0, nxpk= 0, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 8.88, r4= 9.38, igr2= 179, 180, &end # # 40 ARG HA 40 ARG QD 7.19 &rst ixpk= 0, nxpk= 0, iat= 615, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57, igr2= 623, 624, &end # # 29 ILE QG2 45 VAL HA 0.73 &rst ixpk= 0, nxpk= 0, iat= -1, 693, r1= 1.30, r2= 1.80, r3= 0.88, r4= 1.38, igr1= 460, 461, 462, &end # # 50 ILE QG2 81 MET QG 0.86 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.16, r4= 1.66, igr1= 780, 781, 782, igr2=1259,1260, &end # # 50 ILE QD1 79 LYS QB 0.89 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.20, r4= 1.70, igr1= 787, 788, 789, igr2=1220,1221, &end # # 51 GLU QB 79 LYS QB 6.44 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.11, r4= 8.61, igr1= 797, 798, igr2=1220,1221, &end # # 80 THR HN 80 THR QG2 6.07 &rst ixpk= 0, nxpk= 0, iat=1238, -1, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79, igr2=1244,1245,1246, &end # # 60 THR HN 60 THR QG2 0.95 &rst ixpk= 0, nxpk= 0, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 1.14, r4= 1.64, igr2= 924, 925, 926, &end # # 61 PRO QD 64 LYS QD 7.38 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.30, r4= 9.80, igr1= 933, 934, igr2= 988, 989, &end # # 64 LYS HA 64 LYS QG 0.90 &rst ixpk= 0, nxpk= 0, iat= 980, -1, r1= 1.30, r2= 1.80, r3= 1.01, r4= 1.51, igr2= 985, 986, &end # # 64 LYS HA 64 LYS QD 6.72 &rst ixpk= 0, nxpk= 0, iat= 980, -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04, igr2= 988, 989, &end # # 65 ILE HA 68 ILE HB 0.84 &rst ixpk= 0, nxpk= 0, iat=1002,1056, r1= 1.30, r2= 1.80, r3= 0.84, r4= 1.34, &end # # 81 MET QG 82 PRO QD 7.96 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.03, r4=10.53, igr1=1259,1260, igr2=1270,1271, &end # # 81 MET QB 82 PRO QD 0.83 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.05, r4= 1.55, igr1=1256,1257, igr2=1270,1271, &end # # 51 GLU HA 57 VAL QG2 6.47 &rst ixpk= 0, nxpk= 0, iat= 795, -1, r1= 1.30, r2= 1.80, r3= 7.77, r4= 8.27, igr2= 886, 887, 888, &end # # 51 GLU QG 54 GLY QA 8.05 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.14, r4=10.64, igr1= 800, 801, igr2= 843, 844, &end # # 64 LYS HA 67 HIS QB 0.83 &rst ixpk= 0, nxpk= 0, iat= 980, -1, r1= 1.30, r2= 1.80, r3= 0.93, r4= 1.43, igr2=1039,1040, &end # # 64 LYS QD 67 HIS QB 1.23 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.55, r4= 2.05, igr1= 988, 989, igr2=1039,1040, &end # # 7 THR HA 8 THR HB 7.70 &rst ixpk= 0, nxpk= 0, iat= 89, 105, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20, &end # # 21 GLY QA 33 MET QB 1.05 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.32, r4= 1.82, igr1= 345, 346, igr2= 518, 519, &end # # 37 ILE QG2 37 ILE QD1 0.74 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.07, r4= 1.57, igr1= 575, 576, 577, igr2= 582, 583, 584, &end # # 40 ARG QB 40 ARG QD 0.81 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.02, r4= 1.52, igr1= 617, 618, igr2= 623, 624, &end # # 44 ARG HA 45 VAL HA 1.19 &rst ixpk= 0, nxpk= 0, iat= 669, 693, r1= 1.30, r2= 1.80, r3= 1.19, r4= 1.69, &end # # 65 ILE QG2 65 ILE QG1 0.77 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.04, r4= 1.54, igr1=1006,1007,1008, igr2=1010,1011, &end # # 57 VAL HB 65 ILE QG2 0.97 &rst ixpk= 0, nxpk= 0, iat= 880, -1, r1= 1.30, r2= 1.80, r3= 1.16, r4= 1.66, igr2=1006,1007,1008, &end # # 66 VAL HA 69 LEU QB 0.88 &rst ixpk= 0, nxpk= 0, iat=1021, -1, r1= 1.30, r2= 1.80, r3= 0.99, r4= 1.49, igr2=1075,1076, &end # # 69 LEU QQD 72 ALA QB 0.86 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.39, r4= 1.89, igr1=1084,1085,1086,1080,1081,1082, igr2=1119,1120,1121, &end # # 72 ALA HA 76 ILE QD1 7.77 &rst ixpk= 0, nxpk= 0, iat=1117, -1, r1= 1.30, r2= 1.80, r3= 9.33, r4= 9.83, igr2=1176,1177,1178, &end # # 20 LEU QB 22 PHE QE 7.17 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.03, r4= 9.53, igr1= 328, 329, igr2= 360, 364, &end # # 20 LEU QB 22 PHE QD 0.96 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.21, r4= 1.71, igr1= 328, 329, igr2= 358, 366, &end # # 22 PHE HA 22 PHE QD 1.13 &rst ixpk= 0, nxpk= 0, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 1.27, r4= 1.77, igr2= 358, 366, &end # # 22 PHE QE 24 VAL HB 7.37 &rst ixpk= 0, nxpk= 0, iat= -1, 385, r1= 1.30, r2= 1.80, r3= 8.27, r4= 8.77, igr1= 360, 364, &end # # 22 PHE QE 24 VAL QG2 0.84 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.13, r4= 1.63, igr1= 360, 364, igr2= 391, 392, 393, &end # # 22 PHE QE 24 VAL QG1 0.84 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.13, r4= 1.63, igr1= 360, 364, igr2= 387, 388, 389, &end # # 22 PHE QD 29 ILE HA 8.45 &rst ixpk= 0, nxpk= 0, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 9.48, r4= 9.98, igr1= 358, 366, &end # # 22 PHE QD 29 ILE QG2 5.84 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37, igr1= 358, 366, igr2= 460, 461, 462, &end # # 22 PHE QD 29 ILE QG1 7.31 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.21, r4= 9.71, igr1= 358, 366, igr2= 464, 465, &end # # 22 PHE QD 29 ILE QD1 6.56 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.84, r4= 9.34, igr1= 358, 366, igr2= 467, 468, 469, &end # # 18 TYR QE 37 ILE QG2 8.14 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.97, r4=11.47, igr1= 296, 301, igr2= 575, 576, 577, &end # # 18 TYR QD 37 ILE QG2 7.44 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.03, r4=10.53, igr1= 294, 303, igr2= 575, 576, 577, &end # # 18 TYR QD 37 ILE QD1 7.03 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.48, r4= 9.98, igr1= 294, 303, igr2= 582, 583, 584, &end # # 22 PHE QD 38 ALA HA 8.59 &rst ixpk= 0, nxpk= 0, iat= -1, 590, r1= 1.30, r2= 1.80, r3= 9.64, r4=10.14, igr1= 358, 366, &end # # 22 PHE QD 38 ALA QB 0.80 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.08, r4= 1.58, igr1= 358, 366, igr2= 592, 593, 594, &end # # 22 PHE QD 43 VAL QG2 1.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.35, r4= 1.85, igr1= 358, 366, igr2= 661, 662, 663, &end # # 22 PHE QD 43 VAL QG1 1.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.35, r4= 1.85, igr1= 358, 366, igr2= 657, 658, 659, &end # # 22 PHE QD 43 VAL HB 1.33 &rst ixpk= 0, nxpk= 0, iat= -1, 655, r1= 1.30, r2= 1.80, r3= 1.49, r4= 1.99, igr1= 358, 366, &end # # 14 PRO QG 18 TYR QD 1.22 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.54, r4= 2.04, igr1= 221, 222, igr2= 294, 303, &end # # 14 PRO QD 18 TYR QD 1.30 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.64, r4= 2.14, igr1= 218, 219, igr2= 294, 303, &end # # 15 ASP HA 18 TYR QD 1.38 &rst ixpk= 0, nxpk= 0, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 1.55, r4= 2.05, igr2= 294, 303, &end # # 15 ASP QB 18 TYR QD 1.27 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.60, r4= 2.10, igr1= 235, 236, igr2= 294, 303, &end # # 17 ARG HA 18 TYR QD 1.33 &rst ixpk= 0, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 1.49, r4= 1.99, igr2= 294, 303, &end # # 17 ARG QB 18 TYR QD 1.29 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.63, r4= 2.13, igr1= 266, 267, igr2= 294, 303, &end # # 17 ARG QG 18 TYR QD 8.96 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.29, r4=11.79, igr1= 269, 270, igr2= 294, 303, &end # # 14 PRO QB 18 TYR QE 1.09 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.37, r4= 1.87, igr1= 224, 225, igr2= 296, 301, &end # # 14 PRO QB 18 TYR QD 8.73 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.00, r4=11.50, igr1= 224, 225, igr2= 294, 303, &end # # 18 TYR HA 18 TYR QD 1.09 &rst ixpk= 0, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 1.22, r4= 1.72, igr2= 294, 303, &end # # 32 LEU QD2 33 MET HN 1.21 &rst ixpk= 0, nxpk= 0, iat= -1, 514, r1= 1.30, r2= 1.80, r3= 1.45, r4= 1.95, igr1= 508, 509, 510, &end # # 74 GLY QA 75 GLU HN 0.79 &rst ixpk= 0, nxpk= 0, iat= -1,1148, r1= 1.30, r2= 1.80, r3= 0.89, r4= 1.39, igr1=1143,1144, &end # # 79 LYS HA 80 THR HN 0.79 &rst ixpk= 0, nxpk= 0, iat=1218,1238, r1= 1.30, r2= 1.80, r3= 0.79, r4= 1.29, &end # # 56 SER HA 57 VAL HN 0.80 &rst ixpk= 0, nxpk= 0, iat= 867, 876, r1= 1.30, r2= 1.80, r3= 0.80, r4= 1.30, &end # # 5 ASN HA 6 VAL HN 0.81 &rst ixpk= 0, nxpk= 0, iat= 59, 71, r1= 1.30, r2= 1.80, r3= 0.81, r4= 1.31, &end # # 57 VAL HN 58 VAL HN 5.74 &rst ixpk= 0, nxpk= 0, iat= 876, 892, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, &end # # 75 GLU HN 75 GLU QB 0.82 &rst ixpk= 0, nxpk= 0, iat=1148, -1, r1= 1.30, r2= 1.80, r3= 0.92, r4= 1.42, igr2=1152,1153, &end # # 16 LEU HN 16 LEU HG 5.93 &rst ixpk= 0, nxpk= 0, iat= 243, 250, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, &end # # 28 ILE HN 28 ILE HB 0.85 &rst ixpk= 0, nxpk= 0, iat= 435, 439, r1= 1.30, r2= 1.80, r3= 0.85, r4= 1.35, &end # # 17 ARG HN 18 TYR HN 0.85 &rst ixpk= 0, nxpk= 0, iat= 262, 286, r1= 1.30, r2= 1.80, r3= 0.85, r4= 1.35, &end # # 61 PRO HA 62 HIS HN 0.85 &rst ixpk= 0, nxpk= 0, iat= 942, 946, r1= 1.30, r2= 1.80, r3= 0.85, r4= 1.35, &end # # 50 ILE HN 51 GLU HN 0.86 &rst ixpk= 0, nxpk= 0, iat= 774, 793, r1= 1.30, r2= 1.80, r3= 0.86, r4= 1.36, &end # # 24 VAL HA 25 GLN HN 0.86 &rst ixpk= 0, nxpk= 0, iat= 383, 397, r1= 1.30, r2= 1.80, r3= 0.86, r4= 1.36, &end # # 55 GLN HA 56 SER HN 0.86 &rst ixpk= 0, nxpk= 0, iat= 850, 865, r1= 1.30, r2= 1.80, r3= 0.86, r4= 1.36, &end # # 52 ILE HA 53 ASN HN 0.86 &rst ixpk= 0, nxpk= 0, iat= 810, 827, r1= 1.30, r2= 1.80, r3= 0.86, r4= 1.36, &end # # 65 ILE HN 65 ILE QG1 0.86 &rst ixpk= 0, nxpk= 0, iat=1000, -1, r1= 1.30, r2= 1.80, r3= 0.97, r4= 1.47, igr2=1010,1011, &end # # 83 ALA HA 84 ALA HN 0.87 &rst ixpk= 0, nxpk= 0, iat=1285,1293, r1= 1.30, r2= 1.80, r3= 0.87, r4= 1.37, &end # # 39 GLU QB 40 ARG HN 6.14 &rst ixpk= 0, nxpk= 0, iat= -1, 613, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39, igr1= 602, 603, &end # # 27 GLY HN 28 ILE HN 0.88 &rst ixpk= 0, nxpk= 0, iat= 428, 435, r1= 1.30, r2= 1.80, r3= 0.88, r4= 1.38, &end # # 17 ARG HN 17 ARG QB 0.88 &rst ixpk= 0, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 0.99, r4= 1.49, igr2= 266, 267, &end # # 47 HIS HA 48 ARG HN 0.88 &rst ixpk= 0, nxpk= 0, iat= 716, 731, r1= 1.30, r2= 1.80, r3= 0.88, r4= 1.38, &end # # 80 THR HB 81 MET HN 0.89 &rst ixpk= 0, nxpk= 0, iat=1242,1252, r1= 1.30, r2= 1.80, r3= 0.89, r4= 1.39, &end # # 49 ILE HN 49 ILE HB 0.89 &rst ixpk= 0, nxpk= 0, iat= 755, 759, r1= 1.30, r2= 1.80, r3= 0.89, r4= 1.39, &end # # 16 LEU QB 17 ARG HN 0.89 &rst ixpk= 0, nxpk= 0, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 1.00, r4= 1.50, igr1= 247, 248, &end # # 52 ILE HN 52 ILE HB 0.89 &rst ixpk= 0, nxpk= 0, iat= 808, 812, r1= 1.30, r2= 1.80, r3= 0.89, r4= 1.39, &end # # 65 ILE HN 68 ILE QD1 0.90 &rst ixpk= 0, nxpk= 0, iat=1000, -1, r1= 1.30, r2= 1.80, r3= 1.08, r4= 1.58, igr2=1065,1066,1067, &end # # 33 MET HA 34 ARG HN 0.90 &rst ixpk= 0, nxpk= 0, iat= 516, 531, r1= 1.30, r2= 1.80, r3= 0.90, r4= 1.40, &end # # 49 ILE HN 49 ILE QD1 6.35 &rst ixpk= 0, nxpk= 0, iat= 755, -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13, igr2= 768, 769, 770, &end # # 51 GLU HA 57 VAL HN 6.35 &rst ixpk= 0, nxpk= 0, iat= 795, 876, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85, &end # # 77 HIS HN 77 HIS QB 0.91 &rst ixpk= 0, nxpk= 0, iat=1182, -1, r1= 1.30, r2= 1.80, r3= 1.02, r4= 1.52, igr2=1186,1187, &end # # 76 ILE HN 76 ILE HB 0.92 &rst ixpk= 0, nxpk= 0, iat=1163,1167, r1= 1.30, r2= 1.80, r3= 0.92, r4= 1.42, &end # # 53 ASN HA 54 GLY HN 0.86 &rst ixpk= 0, nxpk= 0, iat= 829, 841, r1= 1.30, r2= 1.80, r3= 0.86, r4= 1.36, &end # # 30 CYS HN 31 SER HN 6.42 &rst ixpk= 0, nxpk= 0, iat= 473, 484, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92, &end # # 39 GLU HN 39 GLU QB 0.92 &rst ixpk= 0, nxpk= 0, iat= 598, -1, r1= 1.30, r2= 1.80, r3= 1.03, r4= 1.53, igr2= 602, 603, &end # # 34 ARG HN 34 ARG QB 0.92 &rst ixpk= 0, nxpk= 0, iat= 531, -1, r1= 1.30, r2= 1.80, r3= 1.03, r4= 1.53, igr2= 535, 536, &end # # 60 THR QG2 65 ILE HN 6.58 &rst ixpk= 0, nxpk= 0, iat= -1,1000, r1= 1.30, r2= 1.80, r3= 7.90, r4= 8.40, igr1= 924, 925, 926, &end # # 59 ALA QB 60 THR HN 0.93 &rst ixpk= 0, nxpk= 0, iat= -1, 918, r1= 1.30, r2= 1.80, r3= 1.12, r4= 1.62, igr1= 912, 913, 914, &end # # 28 ILE HN 28 ILE QD1 6.58 &rst ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 7.90, r4= 8.40, igr2= 448, 449, 450, &end # # 75 GLU HN 75 GLU QG 0.93 &rst ixpk= 0, nxpk= 0, iat=1148, -1, r1= 1.30, r2= 1.80, r3= 1.04, r4= 1.54, igr2=1155,1156, &end # # 40 ARG HN 41 GLY HN 0.93 &rst ixpk= 0, nxpk= 0, iat= 613, 637, r1= 1.30, r2= 1.80, r3= 0.93, r4= 1.43, &end # # 47 HIS HA 83 ALA HN 0.93 &rst ixpk= 0, nxpk= 0, iat= 716,1283, r1= 1.30, r2= 1.80, r3= 0.93, r4= 1.43, &end # # 66 VAL HB 67 HIS HN 6.54 &rst ixpk= 0, nxpk= 0, iat=1023,1035, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04, &end # # 52 ILE HN 55 GLN HN 6.56 &rst ixpk= 0, nxpk= 0, iat= 808, 848, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, &end # # 35 GLY HN 36 GLY HN 6.20 &rst ixpk= 0, nxpk= 0, iat= 555, 562, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end # # 69 LEU HN 70 SER HN 0.94 &rst ixpk= 0, nxpk= 0, iat=1071,1090, r1= 1.30, r2= 1.80, r3= 0.94, r4= 1.44, &end # # 69 LEU QB 70 SER HN 6.60 &rst ixpk= 0, nxpk= 0, iat= -1,1090, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1075,1076, &end # # 62 HIS QB 63 GLU HN 0.94 &rst ixpk= 0, nxpk= 0, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 1.06, r4= 1.56, igr1= 950, 951, &end # # 29 ILE HN 29 ILE QG1 6.63 &rst ixpk= 0, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 7.44, r4= 7.94, igr2= 464, 465, &end # # 48 ARG HN 81 MET HN 6.63 &rst ixpk= 0, nxpk= 0, iat= 731,1252, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13, &end # # 70 SER HN 71 ASN HN 6.65 &rst ixpk= 0, nxpk= 0, iat=1090,1101, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15, &end # # 51 GLU HN 51 GLU QB 0.95 &rst ixpk= 0, nxpk= 0, iat= 793, -1, r1= 1.30, r2= 1.80, r3= 1.07, r4= 1.57, igr2= 797, 798, &end # # 39 GLU HN 40 ARG HN 0.95 &rst ixpk= 0, nxpk= 0, iat= 598, 613, r1= 1.30, r2= 1.80, r3= 0.95, r4= 1.45, &end # # 63 GLU HN 64 LYS HN 0.95 &rst ixpk= 0, nxpk= 0, iat= 963, 978, r1= 1.30, r2= 1.80, r3= 0.95, r4= 1.45, &end # # 59 ALA HN 60 THR HN 6.75 &rst ixpk= 0, nxpk= 0, iat= 908, 918, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, &end # # 51 GLU QG 54 GLY HN 6.56 &rst ixpk= 0, nxpk= 0, iat= -1, 841, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86, igr1= 800, 801, &end # # 54 GLY HN 55 GLN HN 0.91 &rst ixpk= 0, nxpk= 0, iat= 841, 848, r1= 1.30, r2= 1.80, r3= 0.91, r4= 1.41, &end # # 29 ILE HB 47 HIS HN 0.98 &rst ixpk= 0, nxpk= 0, iat= 458, 714, r1= 1.30, r2= 1.80, r3= 0.98, r4= 1.48, &end # # 16 LEU HN 17 ARG HN 6.82 &rst ixpk= 0, nxpk= 0, iat= 243, 262, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32, &end # # 22 PHE QB 23 SER HN 6.82 &rst ixpk= 0, nxpk= 0, iat= -1, 370, r1= 1.30, r2= 1.80, r3= 7.66, r4= 8.16, igr1= 354, 355, &end # # 34 ARG HA 36 GLY HN 6.44 &rst ixpk= 0, nxpk= 0, iat= 533, 562, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94, &end # # 80 THR QG2 81 MET HN 6.84 &rst ixpk= 0, nxpk= 0, iat= -1,1252, r1= 1.30, r2= 1.80, r3= 8.21, r4= 8.71, igr1=1244,1245,1246, &end # # 56 SER HN 56 SER QB 0.98 &rst ixpk= 0, nxpk= 0, iat= 865, -1, r1= 1.30, r2= 1.80, r3= 1.10, r4= 1.60, igr2= 869, 870, &end # # 32 LEU HN 32 LEU QB 0.98 &rst ixpk= 0, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 1.10, r4= 1.60, igr2= 499, 500, &end # # 83 ALA HN 84 ALA HN 6.89 &rst ixpk= 0, nxpk= 0, iat=1283,1293, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39, &end # # 51 GLU HN 79 LYS HN 6.93 &rst ixpk= 0, nxpk= 0, iat= 793,1216, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, &end # # 69 LEU HA 72 ALA HN 6.93 &rst ixpk= 0, nxpk= 0, iat=1073,1115, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, &end # # 50 ILE HN 80 THR HA 6.95 &rst ixpk= 0, nxpk= 0, iat= 774,1240, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45, &end # # 47 HIS QB 81 MET HN 1.00 &rst ixpk= 0, nxpk= 0, iat= -1,1252, r1= 1.30, r2= 1.80, r3= 1.12, r4= 1.62, igr1= 718, 719, &end # # 24 VAL HA 30 CYS HN 7.07 &rst ixpk= 0, nxpk= 0, iat= 383, 473, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57, &end # # 53 ASN HN 54 GLY HN 1.01 &rst ixpk= 0, nxpk= 0, iat= 827, 841, r1= 1.30, r2= 1.80, r3= 1.01, r4= 1.51, &end # # 34 ARG QG 35 GLY HN 1.01 &rst ixpk= 0, nxpk= 0, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 1.13, r4= 1.63, igr1= 538, 539, &end # # 36 GLY HN 39 GLU QB 0.96 &rst ixpk= 0, nxpk= 0, iat= 562, -1, r1= 1.30, r2= 1.80, r3= 1.08, r4= 1.58, igr2= 602, 603, &end # # 67 HIS HN 68 ILE HN 7.10 &rst ixpk= 0, nxpk= 0, iat=1035,1052, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60, &end # # 39 GLU HA 43 VAL HN 7.12 &rst ixpk= 0, nxpk= 0, iat= 600, 651, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62, &end # # 49 ILE QG2 79 LYS HN 7.16 &rst ixpk= 0, nxpk= 0, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 8.60, r4= 9.10, igr1= 761, 762, 763, &end # # 6 VAL HB 7 THR HN 7.16 &rst ixpk= 0, nxpk= 0, iat= 75, 87, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66, &end # # 53 ASN HN 77 HIS QB 1.02 &rst ixpk= 0, nxpk= 0, iat= 827, -1, r1= 1.30, r2= 1.80, r3= 1.14, r4= 1.64, igr2=1186,1187, &end # # 47 HIS QB 48 ARG HN 1.02 &rst ixpk= 0, nxpk= 0, iat= -1, 731, r1= 1.30, r2= 1.80, r3= 1.14, r4= 1.64, igr1= 718, 719, &end # # 56 SER HA 58 VAL HN 1.03 &rst ixpk= 0, nxpk= 0, iat= 867, 892, r1= 1.30, r2= 1.80, r3= 1.03, r4= 1.53, &end # # 68 ILE HA 71 ASN QD2 1.38 &rst ixpk= 0, nxpk= 0, iat=1054, -1, r1= 1.30, r2= 1.80, r3= 1.55, r4= 2.05, igr2=1110,1111, &end # # 25 GLN HN 28 ILE HN 7.31 &rst ixpk= 0, nxpk= 0, iat= 397, 435, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81, &end # # 67 HIS HN 68 ILE QD1 1.05 &rst ixpk= 0, nxpk= 0, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 1.26, r4= 1.76, igr2=1065,1066,1067, &end # # 11 ILE HN 76 ILE HN 7.37 &rst ixpk= 0, nxpk= 0, iat= 150,1163, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87, &end # # 14 PRO QG 15 ASP HN 1.05 &rst ixpk= 0, nxpk= 0, iat= -1, 231, r1= 1.30, r2= 1.80, r3= 1.18, r4= 1.68, igr1= 221, 222, &end # # 45 VAL HA 47 HIS HN 7.42 &rst ixpk= 0, nxpk= 0, iat= 693, 714, r1= 1.30, r2= 1.80, r3= 7.42, r4= 7.92, &end # # 71 ASN QB 72 ALA HN 1.07 &rst ixpk= 0, nxpk= 0, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 1.20, r4= 1.70, igr1=1105,1106, &end # # 5 ASN HN 6 VAL HN 1.07 &rst ixpk= 0, nxpk= 0, iat= 57, 71, r1= 1.30, r2= 1.80, r3= 1.07, r4= 1.57, &end # # 29 ILE HB 46 GLY HN 1.07 &rst ixpk= 0, nxpk= 0, iat= 458, 707, r1= 1.30, r2= 1.80, r3= 1.07, r4= 1.57, &end # # 23 SER HN 31 SER HN 1.08 &rst ixpk= 0, nxpk= 0, iat= 370, 484, r1= 1.30, r2= 1.80, r3= 1.08, r4= 1.58, &end # # 82 PRO QB 83 ALA HN 1.08 &rst ixpk= 0, nxpk= 0, iat= -1,1283, r1= 1.30, r2= 1.80, r3= 1.21, r4= 1.71, igr1=1276,1277, &end # # 58 VAL HN 59 ALA HN 1.08 &rst ixpk= 0, nxpk= 0, iat= 892, 908, r1= 1.30, r2= 1.80, r3= 1.08, r4= 1.58, &end # # 57 VAL HA 60 THR HN 7.61 &rst ixpk= 0, nxpk= 0, iat= 878, 918, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, &end # # 17 ARG QB 18 TYR HN 7.63 &rst ixpk= 0, nxpk= 0, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, igr1= 266, 267, &end # # 7 THR HB 80 THR HN 1.09 &rst ixpk= 0, nxpk= 0, iat= 91,1238, r1= 1.30, r2= 1.80, r3= 1.09, r4= 1.59, &end # # 66 VAL HA 69 LEU HN 1.10 &rst ixpk= 0, nxpk= 0, iat=1021,1071, r1= 1.30, r2= 1.80, r3= 1.10, r4= 1.60, &end # # 13 ARG HE 18 TYR HN 7.67 &rst ixpk= 0, nxpk= 0, iat= 206, 286, r1= 1.30, r2= 1.80, r3= 7.67, r4= 8.17, &end # # 48 ARG HN 83 ALA HN 7.68 &rst ixpk= 0, nxpk= 0, iat= 731,1283, r1= 1.30, r2= 1.80, r3= 7.68, r4= 8.18, &end # # 7 THR HB 8 THR HN 7.68 &rst ixpk= 0, nxpk= 0, iat= 91, 101, r1= 1.30, r2= 1.80, r3= 7.68, r4= 8.18, &end # # 53 ASN HA 77 HIS HN 1.10 &rst ixpk= 0, nxpk= 0, iat= 829,1182, r1= 1.30, r2= 1.80, r3= 1.10, r4= 1.60, &end # # 51 GLU QB 57 VAL HN 7.79 &rst ixpk= 0, nxpk= 0, iat= -1, 876, r1= 1.30, r2= 1.80, r3= 8.74, r4= 9.24, igr1= 797, 798, &end # # 6 VAL HA 80 THR HN 7.82 &rst ixpk= 0, nxpk= 0, iat= 73,1238, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32, &end # # 53 ASN HN 77 HIS HN 7.38 &rst ixpk= 0, nxpk= 0, iat= 827,1182, r1= 1.30, r2= 1.80, r3= 7.38, r4= 7.88, &end # # 62 HIS HN 63 GLU HN 1.12 &rst ixpk= 0, nxpk= 0, iat= 946, 963, r1= 1.30, r2= 1.80, r3= 1.12, r4= 1.62, &end # # 64 LYS HN 64 LYS QD 1.12 &rst ixpk= 0, nxpk= 0, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 1.26, r4= 1.76, igr2= 988, 989, &end # # 48 ARG HN 82 PRO HA 1.12 &rst ixpk= 0, nxpk= 0, iat= 731,1279, r1= 1.30, r2= 1.80, r3= 1.12, r4= 1.62, &end # # 35 GLY HN 39 GLU QB 7.84 &rst ixpk= 0, nxpk= 0, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30, igr2= 602, 603, &end # # 57 VAL HB 60 THR HN 7.89 &rst ixpk= 0, nxpk= 0, iat= 880, 918, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39, &end # # 29 ILE HN 48 ARG HA 7.89 &rst ixpk= 0, nxpk= 0, iat= 454, 733, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39, &end # # 39 GLU HA 42 GLY HN 1.06 &rst ixpk= 0, nxpk= 0, iat= 600, 644, r1= 1.30, r2= 1.80, r3= 1.06, r4= 1.56, &end # # 12 ARG HA 76 ILE HN 7.91 &rst ixpk= 0, nxpk= 0, iat= 171,1163, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41, &end # # 10 LEU HN 11 ILE HN 7.93 &rst ixpk= 0, nxpk= 0, iat= 131, 150, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, &end # # 40 ARG HA 42 GLY HN 7.51 &rst ixpk= 0, nxpk= 0, iat= 615, 644, r1= 1.30, r2= 1.80, r3= 7.51, r4= 8.01, &end # # 52 ILE HB 53 ASN HN 1.14 &rst ixpk= 0, nxpk= 0, iat= 812, 827, r1= 1.30, r2= 1.80, r3= 1.14, r4= 1.64, &end # # 82 PRO QB 84 ALA HN 1.14 &rst ixpk= 0, nxpk= 0, iat= -1,1293, r1= 1.30, r2= 1.80, r3= 1.28, r4= 1.78, igr1=1276,1277, &end # # 10 LEU HA 78 MET HN 1.15 &rst ixpk= 0, nxpk= 0, iat= 133,1199, r1= 1.30, r2= 1.80, r3= 1.15, r4= 1.65, &end # # 50 ILE HA 58 VAL HN 1.15 &rst ixpk= 0, nxpk= 0, iat= 776, 892, r1= 1.30, r2= 1.80, r3= 1.15, r4= 1.65, &end # # 64 LYS HN 66 VAL HN 1.16 &rst ixpk= 0, nxpk= 0, iat= 978,1019, r1= 1.30, r2= 1.80, r3= 1.16, r4= 1.66, &end # # 51 GLU HA 55 GLN HN 1.16 &rst ixpk= 0, nxpk= 0, iat= 795, 848, r1= 1.30, r2= 1.80, r3= 1.16, r4= 1.66, &end # # 8 THR HA 80 THR HN 1.17 &rst ixpk= 0, nxpk= 0, iat= 103,1238, r1= 1.30, r2= 1.80, r3= 1.17, r4= 1.67, &end # # 42 GLY HN 43 VAL HB 1.10 &rst ixpk= 0, nxpk= 0, iat= 644, 655, r1= 1.30, r2= 1.80, r3= 1.10, r4= 1.60, &end # # 28 ILE HA 49 ILE HN 1.17 &rst ixpk= 0, nxpk= 0, iat= 437, 755, r1= 1.30, r2= 1.80, r3= 1.17, r4= 1.67, &end # # 53 ASN QB 54 GLY HN 7.70 &rst ixpk= 0, nxpk= 0, iat= -1, 841, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14, igr1= 831, 832, &end # # 55 GLN QE2 68 ILE QG2 8.17 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.01, r4=11.51, igr1= 860, 861, igr2=1058,1059,1060, &end # # 49 ILE HA 81 MET HN 1.17 &rst ixpk= 0, nxpk= 0, iat= 757,1252, r1= 1.30, r2= 1.80, r3= 1.17, r4= 1.67, &end # # 7 THR HN 8 THR HN 1.17 &rst ixpk= 0, nxpk= 0, iat= 87, 101, r1= 1.30, r2= 1.80, r3= 1.17, r4= 1.67, &end # # 12 ARG HN 13 ARG HN 9.62 &rst ixpk= 0, nxpk= 0, iat= 169, 193, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12, &end # # 2 THR HN 2 THR QG2 1.18 &rst ixpk= 0, nxpk= 0, iat= 19, -1, r1= 1.30, r2= 1.80, r3= 1.42, r4= 1.92, igr2= 25, 26, 27, &end # # 7 THR HN 81 MET HA 1.19 &rst ixpk= 0, nxpk= 0, iat= 87,1254, r1= 1.30, r2= 1.80, r3= 1.19, r4= 1.69, &end # # 76 ILE QG1 77 HIS HN 1.19 &rst ixpk= 0, nxpk= 0, iat= -1,1182, r1= 1.30, r2= 1.80, r3= 1.34, r4= 1.84, igr1=1173,1174, &end # # 6 VAL HN 7 THR HN 1.20 &rst ixpk= 0, nxpk= 0, iat= 71, 87, r1= 1.30, r2= 1.80, r3= 1.20, r4= 1.70, &end # # 52 ILE HB 55 GLN HN 1.20 &rst ixpk= 0, nxpk= 0, iat= 812, 848, r1= 1.30, r2= 1.80, r3= 1.20, r4= 1.70, &end # # 57 VAL QG1 60 THR HN 1.38 &rst ixpk= 0, nxpk= 0, iat= -1, 918, r1= 1.30, r2= 1.80, r3= 1.66, r4= 2.16, igr1= 882, 883, 884, &end # # 36 GLY HN 37 ILE HN 1.14 &rst ixpk= 0, nxpk= 0, iat= 562, 569, r1= 1.30, r2= 1.80, r3= 1.14, r4= 1.64, &end # # 76 ILE HB 77 HIS HN 8.44 &rst ixpk= 0, nxpk= 0, iat=1167,1182, r1= 1.30, r2= 1.80, r3= 8.44, r4= 8.94, &end # # 52 ILE HA 79 LYS HN 1.21 &rst ixpk= 0, nxpk= 0, iat= 810,1216, r1= 1.30, r2= 1.80, r3= 1.21, r4= 1.71, &end # # 48 ARG HN 50 ILE QG2 8.45 &rst ixpk= 0, nxpk= 0, iat= 731, -1, r1= 1.30, r2= 1.80, r3=10.15, r4=10.65, igr2= 780, 781, 782, &end # # 79 LYS HN 80 THR HN 8.56 &rst ixpk= 0, nxpk= 0, iat=1216,1238, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end # # 36 GLY HN 39 GLU HN 8.09 &rst ixpk= 0, nxpk= 0, iat= 562, 598, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, &end # # 34 ARG QB 36 GLY HN 8.09 &rst ixpk= 0, nxpk= 0, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58, igr1= 535, 536, &end # # 78 MET HN 79 LYS HN 1.22 &rst ixpk= 0, nxpk= 0, iat=1199,1216, r1= 1.30, r2= 1.80, r3= 1.22, r4= 1.72, &end # # 52 ILE HN 57 VAL HN 8.61 &rst ixpk= 0, nxpk= 0, iat= 808, 876, r1= 1.30, r2= 1.80, r3= 8.61, r4= 9.11, &end # # 18 TYR QB 19 GLN HN 8.57 &rst ixpk= 0, nxpk= 0, iat= -1, 307, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12, igr1= 290, 291, &end # # 71 ASN HN 71 ASN QD2 8.59 &rst ixpk= 0, nxpk= 0, iat=1101, -1, r1= 1.30, r2= 1.80, r3= 9.64, r4=10.14, igr2=1110,1111, &end # # 29 ILE HN 47 HIS HN 1.23 &rst ixpk= 0, nxpk= 0, iat= 454, 714, r1= 1.30, r2= 1.80, r3= 1.23, r4= 1.73, &end # # 66 VAL HA 70 SER HN 8.63 &rst ixpk= 0, nxpk= 0, iat=1021,1090, r1= 1.30, r2= 1.80, r3= 8.63, r4= 9.13, &end # # 82 PRO HA 84 ALA HN 8.70 &rst ixpk= 0, nxpk= 0, iat=1279,1293, r1= 1.30, r2= 1.80, r3= 8.70, r4= 9.20, &end # # 34 ARG HN 34 ARG QG 1.26 &rst ixpk= 0, nxpk= 0, iat= 531, -1, r1= 1.30, r2= 1.80, r3= 1.41, r4= 1.91, igr2= 538, 539, &end # # 64 LYS HN 68 ILE QD1 8.68 &rst ixpk= 0, nxpk= 0, iat= 978, -1, r1= 1.30, r2= 1.80, r3=10.42, r4=10.92, igr2=1065,1066,1067, &end # # 50 ILE HN 79 LYS HN 1.24 &rst ixpk= 0, nxpk= 0, iat= 774,1216, r1= 1.30, r2= 1.80, r3= 1.24, r4= 1.74, &end # # 13 ARG HN 73 VAL HA 1.24 &rst ixpk= 0, nxpk= 0, iat= 193,1127, r1= 1.30, r2= 1.80, r3= 1.24, r4= 1.74, &end # # 40 ARG HN 42 GLY HN 8.21 &rst ixpk= 0, nxpk= 0, iat= 613, 644, r1= 1.30, r2= 1.80, r3= 8.21, r4= 8.71, &end # # 47 HIS HN 48 ARG HN 1.24 &rst ixpk= 0, nxpk= 0, iat= 714, 731, r1= 1.30, r2= 1.80, r3= 1.24, r4= 1.74, &end # # 63 GLU HA 65 ILE HN 9.19 &rst ixpk= 0, nxpk= 0, iat= 965,1000, r1= 1.30, r2= 1.80, r3= 9.19, r4= 9.69, &end # # 15 ASP HA 17 ARG HN 1.25 &rst ixpk= 0, nxpk= 0, iat= 233, 262, r1= 1.30, r2= 1.80, r3= 1.25, r4= 1.75, &end # # 83 ALA HN 84 ALA HA 1.36 &rst ixpk= 0, nxpk= 0, iat=1283,1295, r1= 1.30, r2= 1.80, r3= 1.36, r4= 1.86, &end # # 57 VAL HN 58 VAL HB 8.75 &rst ixpk= 0, nxpk= 0, iat= 876, 896, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25, &end # # 33 MET QB 34 ARG HN 1.25 &rst ixpk= 0, nxpk= 0, iat= -1, 531, r1= 1.30, r2= 1.80, r3= 1.40, r4= 1.90, igr1= 518, 519, &end # # 8 THR HA 78 MET HN 1.25 &rst ixpk= 0, nxpk= 0, iat= 103,1199, r1= 1.30, r2= 1.80, r3= 1.25, r4= 1.75, &end # # 76 ILE HN 77 HIS HN 1.25 &rst ixpk= 0, nxpk= 0, iat=1163,1182, r1= 1.30, r2= 1.80, r3= 1.25, r4= 1.75, &end # # 32 LEU QB 33 MET HN 1.38 &rst ixpk= 0, nxpk= 0, iat= -1, 514, r1= 1.30, r2= 1.80, r3= 1.55, r4= 2.05, igr1= 499, 500, &end # # 8 THR QG2 78 MET HN 8.78 &rst ixpk= 0, nxpk= 0, iat= -1,1199, r1= 1.30, r2= 1.80, r3=10.54, r4=11.04, igr1= 107, 108, 109, &end # # 1 GLU QB 2 THR HN 8.80 &rst ixpk= 0, nxpk= 0, iat= -1, 19, r1= 1.30, r2= 1.80, r3= 9.88, r4=10.38, igr1= 8, 9, &end # # 58 VAL HN 59 ALA QB 8.82 &rst ixpk= 0, nxpk= 0, iat= 892, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09, igr2= 912, 913, 914, &end # # 9 VAL HN 10 LEU HN 8.82 &rst ixpk= 0, nxpk= 0, iat= 115, 131, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32, &end # # 11 ILE QG2 13 ARG HN 8.85 &rst ixpk= 0, nxpk= 0, iat= -1, 193, r1= 1.30, r2= 1.80, r3=10.63, r4=11.13, igr1= 156, 157, 158, &end # # 7 THR HN 79 LYS HA 1.26 &rst ixpk= 0, nxpk= 0, iat= 87,1218, r1= 1.30, r2= 1.80, r3= 1.26, r4= 1.76, &end # # 53 ASN HN 78 MET QB 1.26 &rst ixpk= 0, nxpk= 0, iat= 827, -1, r1= 1.30, r2= 1.80, r3= 1.41, r4= 1.91, igr2=1203,1204, &end # # 78 MET QB 80 THR HN 8.87 &rst ixpk= 0, nxpk= 0, iat= -1,1238, r1= 1.30, r2= 1.80, r3= 9.96, r4=10.46, igr1=1203,1204, &end # # 26 ASN QB 27 GLY HN 8.37 &rst ixpk= 0, nxpk= 0, iat= -1, 428, r1= 1.30, r2= 1.80, r3= 9.40, r4= 9.90, igr1= 418, 419, &end # # 18 TYR HN 19 GLN HN 8.89 &rst ixpk= 0, nxpk= 0, iat= 286, 307, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39, &end # # 4 GLY HN 6 VAL HB 8.93 &rst ixpk= 0, nxpk= 0, iat= 50, 75, r1= 1.30, r2= 1.80, r3= 8.93, r4= 9.43, &end # # 57 VAL HB 58 VAL HN 8.91 &rst ixpk= 0, nxpk= 0, iat= 880, 892, r1= 1.30, r2= 1.80, r3= 8.91, r4= 9.41, &end # # 50 ILE HB 58 VAL HN 8.93 &rst ixpk= 0, nxpk= 0, iat= 778, 892, r1= 1.30, r2= 1.80, r3= 8.93, r4= 9.43, &end # # 38 ALA QB 42 GLY HN 1.34 &rst ixpk= 0, nxpk= 0, iat= -1, 644, r1= 1.30, r2= 1.80, r3= 1.61, r4= 2.11, igr1= 592, 593, 594, &end # # 68 ILE QG1 69 LEU HN 1.27 &rst ixpk= 0, nxpk= 0, iat= -1,1071, r1= 1.30, r2= 1.80, r3= 1.43, r4= 1.93, igr1=1062,1063, &end # # 36 GLY HN 40 ARG HN 8.45 &rst ixpk= 0, nxpk= 0, iat= 562, 613, r1= 1.30, r2= 1.80, r3= 8.45, r4= 8.95, &end # # 23 SER HN 30 CYS HN 1.28 &rst ixpk= 0, nxpk= 0, iat= 370, 473, r1= 1.30, r2= 1.80, r3= 1.28, r4= 1.78, &end # # 51 GLU HN 52 ILE HN 1.28 &rst ixpk= 0, nxpk= 0, iat= 793, 808, r1= 1.30, r2= 1.80, r3= 1.28, r4= 1.78, &end # # 39 GLU HA 41 GLY HN 1.21 &rst ixpk= 0, nxpk= 0, iat= 600, 637, r1= 1.30, r2= 1.80, r3= 1.21, r4= 1.71, &end # # 38 ALA QB 40 ARG HN 8.99 &rst ixpk= 0, nxpk= 0, iat= -1, 613, r1= 1.30, r2= 1.80, r3=10.80, r4=11.30, igr1= 592, 593, 594, &end # # 53 ASN QB 55 GLN HN 8.99 &rst ixpk= 0, nxpk= 0, iat= -1, 848, r1= 1.30, r2= 1.80, r3=10.09, r4=10.59, igr1= 831, 832, &end # # 48 ARG QG 81 MET HN 8.99 &rst ixpk= 0, nxpk= 0, iat= -1,1252, r1= 1.30, r2= 1.80, r3=10.09, r4=10.59, igr1= 738, 739, &end # # 40 ARG HN 41 GLY QA 1.29 &rst ixpk= 0, nxpk= 0, iat= 613, -1, r1= 1.30, r2= 1.80, r3= 1.45, r4= 1.95, igr2= 639, 640, &end # # 28 ILE HA 48 ARG HN 9.03 &rst ixpk= 0, nxpk= 0, iat= 437, 731, r1= 1.30, r2= 1.80, r3= 9.03, r4= 9.53, &end # # 52 ILE HN 53 ASN HN 1.22 &rst ixpk= 0, nxpk= 0, iat= 808, 827, r1= 1.30, r2= 1.80, r3= 1.22, r4= 1.72, &end # # 50 ILE QG1 79 LYS HN 9.13 &rst ixpk= 0, nxpk= 0, iat= -1,1216, r1= 1.30, r2= 1.80, r3=10.25, r4=10.75, igr1= 784, 785, &end # # 31 SER HN 32 LEU HN 9.05 &rst ixpk= 0, nxpk= 0, iat= 484, 495, r1= 1.30, r2= 1.80, r3= 9.05, r4= 9.55, &end # # 26 ASN HN 27 GLY HN 8.54 &rst ixpk= 0, nxpk= 0, iat= 414, 428, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04, &end # # 30 CYS HA 46 GLY HN 9.05 &rst ixpk= 0, nxpk= 0, iat= 475, 707, r1= 1.30, r2= 1.80, r3= 9.05, r4= 9.55, &end # # 15 ASP HN 17 ARG HN 9.08 &rst ixpk= 0, nxpk= 0, iat= 231, 262, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58, &end # # 24 VAL HA 28 ILE HN 1.30 &rst ixpk= 0, nxpk= 0, iat= 383, 435, r1= 1.30, r2= 1.80, r3= 1.30, r4= 1.80, &end # # 53 ASN HN 55 GLN HN 1.23 &rst ixpk= 0, nxpk= 0, iat= 827, 848, r1= 1.30, r2= 1.80, r3= 1.23, r4= 1.73, &end # # 48 ARG HN 83 ALA HA 1.30 &rst ixpk= 0, nxpk= 0, iat= 731,1285, r1= 1.30, r2= 1.80, r3= 1.30, r4= 1.80, &end # # 56 SER QB 58 VAL HN 9.10 &rst ixpk= 0, nxpk= 0, iat= -1, 892, r1= 1.30, r2= 1.80, r3=10.21, r4=10.71, igr1= 869, 870, &end # # 67 HIS HN 69 LEU HN 1.30 &rst ixpk= 0, nxpk= 0, iat=1035,1071, r1= 1.30, r2= 1.80, r3= 1.30, r4= 1.80, &end # # 69 LEU HN 71 ASN HN 1.30 &rst ixpk= 0, nxpk= 0, iat=1071,1101, r1= 1.30, r2= 1.80, r3= 1.30, r4= 1.80, &end # # 29 ILE QG1 47 HIS HN 9.13 &rst ixpk= 0, nxpk= 0, iat= -1, 714, r1= 1.30, r2= 1.80, r3=10.25, r4=10.75, igr1= 464, 465, &end # # 61 PRO HA 63 GLU HN 1.30 &rst ixpk= 0, nxpk= 0, iat= 942, 963, r1= 1.30, r2= 1.80, r3= 1.30, r4= 1.80, &end # # 68 ILE HA 72 ALA HN 1.30 &rst ixpk= 0, nxpk= 0, iat=1054,1115, r1= 1.30, r2= 1.80, r3= 1.30, r4= 1.80, &end # # 10 LEU HA 76 ILE HN 1.30 &rst ixpk= 0, nxpk= 0, iat= 133,1163, r1= 1.30, r2= 1.80, r3= 1.30, r4= 1.80, &end # # 11 ILE HN 77 HIS HA 9.15 &rst ixpk= 0, nxpk= 0, iat= 150,1184, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65, &end # # 26 ASN QB 28 ILE HN 1.32 &rst ixpk= 0, nxpk= 0, iat= -1, 435, r1= 1.30, r2= 1.80, r3= 1.48, r4= 1.98, igr1= 418, 419, &end # # 5 ASN QD2 82 PRO QG 9.19 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.58, r4=12.08, igr1= 66, 67, igr2=1273,1274, &end # # 9 VAL HN 80 THR HN 1.31 &rst ixpk= 0, nxpk= 0, iat= 115,1238, r1= 1.30, r2= 1.80, r3= 1.31, r4= 1.81, &end # # 29 ILE HB 30 CYS HN 1.31 &rst ixpk= 0, nxpk= 0, iat= 458, 473, r1= 1.30, r2= 1.80, r3= 1.31, r4= 1.81, &end # # 81 MET QB 83 ALA HN 1.32 &rst ixpk= 0, nxpk= 0, iat= -1,1283, r1= 1.30, r2= 1.80, r3= 1.48, r4= 1.98, igr1=1256,1257, &end # # 16 LEU QD1 17 ARG HN 1.32 &rst ixpk= 0, nxpk= 0, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 1.59, r4= 2.09, igr1= 252, 253, 254, &end # # 58 VAL HB 60 THR HN 1.35 &rst ixpk= 0, nxpk= 0, iat= 896, 918, r1= 1.30, r2= 1.80, r3= 1.35, r4= 1.85, &end # # 52 ILE HN 54 GLY HN 1.26 &rst ixpk= 0, nxpk= 0, iat= 808, 841, r1= 1.30, r2= 1.80, r3= 1.26, r4= 1.76, &end # # 15 ASP HN 18 TYR HN 9.28 &rst ixpk= 0, nxpk= 0, iat= 231, 286, r1= 1.30, r2= 1.80, r3= 9.28, r4= 9.78, &end # # 78 MET HN 80 THR QG2 9.28 &rst ixpk= 0, nxpk= 0, iat=1199, -1, r1= 1.30, r2= 1.80, r3=11.14, r4=11.64, igr2=1244,1245,1246, &end # # 65 ILE HN 66 VAL HN 6.49 &rst ixpk= 0, nxpk= 0, iat=1000,1019, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, &end # # 48 ARG HE 50 ILE QG2 9.29 &rst ixpk= 0, nxpk= 0, iat= 744, -1, r1= 1.30, r2= 1.80, r3=11.16, r4=11.66, igr2= 780, 781, 782, &end # # 57 VAL HB 65 ILE HN 9.31 &rst ixpk= 0, nxpk= 0, iat= 880,1000, r1= 1.30, r2= 1.80, r3= 9.31, r4= 9.81, &end # # 63 GLU HN 65 ILE HN 1.33 &rst ixpk= 0, nxpk= 0, iat= 963,1000, r1= 1.30, r2= 1.80, r3= 1.33, r4= 1.83, &end # # 16 LEU HN 18 TYR HN 1.34 &rst ixpk= 0, nxpk= 0, iat= 243, 286, r1= 1.30, r2= 1.80, r3= 1.34, r4= 1.84, &end # # 42 GLY HN 43 VAL HA 8.84 &rst ixpk= 0, nxpk= 0, iat= 644, 653, r1= 1.30, r2= 1.80, r3= 8.84, r4= 9.34, &end # # 64 LYS HN 65 ILE HA 9.33 &rst ixpk= 0, nxpk= 0, iat= 978,1002, r1= 1.30, r2= 1.80, r3= 9.33, r4= 9.83, &end # # 2 THR QG2 3 MET HN 1.33 &rst ixpk= 0, nxpk= 0, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 1.60, r4= 2.10, igr1= 25, 26, 27, &end # # 5 ASN HN 6 VAL HB 9.34 &rst ixpk= 0, nxpk= 0, iat= 57, 75, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84, &end # # 65 ILE HN 67 HIS HN 1.38 &rst ixpk= 0, nxpk= 0, iat=1000,1035, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, &end # # 39 GLU QB 42 GLY HN 9.62 &rst ixpk= 0, nxpk= 0, iat= -1, 644, r1= 1.30, r2= 1.80, r3=10.80, r4=11.30, igr1= 602, 603, &end # # 44 ARG QB 47 HIS HN 1.33 &rst ixpk= 0, nxpk= 0, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 1.49, r4= 1.99, igr1= 671, 672, &end # # 63 GLU HA 67 HIS HN 9.34 &rst ixpk= 0, nxpk= 0, iat= 965,1035, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84, &end # # 37 ILE HN 38 ALA HN 1.33 &rst ixpk= 0, nxpk= 0, iat= 569, 588, r1= 1.30, r2= 1.80, r3= 1.33, r4= 1.83, &end # # 51 GLU HN 78 MET QB 9.34 &rst ixpk= 0, nxpk= 0, iat= 793, -1, r1= 1.30, r2= 1.80, r3=10.48, r4=10.98, igr2=1203,1204, &end # # 69 LEU QB 72 ALA HN 9.34 &rst ixpk= 0, nxpk= 0, iat= -1,1115, r1= 1.30, r2= 1.80, r3=10.48, r4=10.98, igr1=1075,1076, &end # # 13 ARG HN 74 GLY QA 9.38 &rst ixpk= 0, nxpk= 0, iat= 193, -1, r1= 1.30, r2= 1.80, r3=10.53, r4=11.03, igr2=1143,1144, &end # # 45 VAL HN 46 GLY HN 1.34 &rst ixpk= 0, nxpk= 0, iat= 691, 707, r1= 1.30, r2= 1.80, r3= 1.34, r4= 1.84, &end # # 28 ILE HN 29 ILE HN 1.34 &rst ixpk= 0, nxpk= 0, iat= 435, 454, r1= 1.30, r2= 1.80, r3= 1.34, r4= 1.84, &end # # 23 SER HN 29 ILE HA 9.41 &rst ixpk= 0, nxpk= 0, iat= 370, 456, r1= 1.30, r2= 1.80, r3= 9.41, r4= 9.91, &end # # 9 VAL HA 78 MET HN 1.36 &rst ixpk= 0, nxpk= 0, iat= 117,1199, r1= 1.30, r2= 1.80, r3= 1.36, r4= 1.86, &end # # 47 HIS QB 83 ALA HN 9.43 &rst ixpk= 0, nxpk= 0, iat= -1,1283, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08, igr1= 718, 719, &end # # 60 THR HN 65 ILE QG1 1.36 &rst ixpk= 0, nxpk= 0, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 1.53, r4= 2.03, igr2=1010,1011, &end # # 27 GLY HN 28 ILE HB 8.94 &rst ixpk= 0, nxpk= 0, iat= 428, 439, r1= 1.30, r2= 1.80, r3= 8.94, r4= 9.44, &end # # 73 VAL HN 74 GLY HN 1.36 &rst ixpk= 0, nxpk= 0, iat=1125,1141, r1= 1.30, r2= 1.80, r3= 1.36, r4= 1.86, &end # # 64 LYS HN 65 ILE HN 5.86 &rst ixpk= 0, nxpk= 0, iat= 978,1000, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end # # 9 VAL HN 77 HIS HA 1.36 &rst ixpk= 0, nxpk= 0, iat= 115,1184, r1= 1.30, r2= 1.80, r3= 1.36, r4= 1.86, &end # # 12 ARG HA 74 GLY HN 1.38 &rst ixpk= 0, nxpk= 0, iat= 171,1141, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, &end # # 15 ASP HN 16 LEU HN 9.52 &rst ixpk= 0, nxpk= 0, iat= 231, 243, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02, &end # # 12 ARG QG 76 ILE HN 9.54 &rst ixpk= 0, nxpk= 0, iat= -1,1163, r1= 1.30, r2= 1.80, r3=10.71, r4=11.21, igr1= 176, 177, &end # # 70 SER HN 71 ASN QB 1.37 &rst ixpk= 0, nxpk= 0, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 1.54, r4= 2.04, igr2=1105,1106, &end # # 24 VAL HB 27 GLY HN 1.29 &rst ixpk= 0, nxpk= 0, iat= 385, 428, r1= 1.30, r2= 1.80, r3= 1.29, r4= 1.79, &end # # 75 GLU HN 76 ILE QD1 1.38 &rst ixpk= 0, nxpk= 0, iat=1148, -1, r1= 1.30, r2= 1.80, r3= 1.66, r4= 2.16, igr2=1176,1177,1178, &end # # 61 PRO HA 64 LYS HN 1.37 &rst ixpk= 0, nxpk= 0, iat= 942, 978, r1= 1.30, r2= 1.80, r3= 1.37, r4= 1.87, &end # # 48 ARG HN 80 THR HA 1.38 &rst ixpk= 0, nxpk= 0, iat= 731,1240, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, &end # # 45 VAL HB 47 HIS HN 9.62 &rst ixpk= 0, nxpk= 0, iat= 695, 714, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12, &end # # 8 THR QG2 10 LEU HN 1.38 &rst ixpk= 0, nxpk= 0, iat= -1, 131, r1= 1.30, r2= 1.80, r3= 1.66, r4= 2.16, igr1= 107, 108, 109, &end # # 53 ASN HN 76 ILE HA 1.38 &rst ixpk= 0, nxpk= 0, iat= 827,1165, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, &end # # 25 GLN QB 26 ASN QD2 9.62 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.12, r4=12.62, igr1= 401, 402, igr2= 423, 424, &end # # 22 PHE HA 31 SER HN 1.38 &rst ixpk= 0, nxpk= 0, iat= 352, 484, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, &end # # 17 ARG HN 18 TYR HA 9.62 &rst ixpk= 0, nxpk= 0, iat= 262, 288, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12, &end # # 56 SER HN 57 VAL HN 1.38 &rst ixpk= 0, nxpk= 0, iat= 865, 876, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, &end # # 24 VAL HB 30 CYS HN 9.62 &rst ixpk= 0, nxpk= 0, iat= 385, 473, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12, &end # # 57 VAL QG2 60 THR HN 1.38 &rst ixpk= 0, nxpk= 0, iat= -1, 918, r1= 1.30, r2= 1.80, r3= 1.66, r4= 2.16, igr1= 886, 887, 888, &end # # 13 ARG QD 74 GLY HN 1.38 &rst ixpk= 0, nxpk= 0, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 1.55, r4= 2.05, igr1= 203, 204, &end # # 44 ARG HN 45 VAL HN 1.38 &rst ixpk= 0, nxpk= 0, iat= 667, 691, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, &end # # 64 LYS HN 65 ILE QD1 1.38 &rst ixpk= 0, nxpk= 0, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 1.66, r4= 2.16, igr2=1013,1014,1015, &end # # 29 ILE HN 45 VAL HA 9.62 &rst ixpk= 0, nxpk= 0, iat= 454, 693, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12, &end # # 8 THR HN 79 LYS HA 1.38 &rst ixpk= 0, nxpk= 0, iat= 101,1218, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, &end # # 32 LEU HG 33 MET HN 9.62 &rst ixpk= 0, nxpk= 0, iat= 502, 514, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12, &end # # 12 ARG HA 75 GLU HN 1.38 &rst ixpk= 0, nxpk= 0, iat= 171,1148, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, &end # # 53 ASN HN 54 GLY QA 9.62 &rst ixpk= 0, nxpk= 0, iat= 827, -1, r1= 1.30, r2= 1.80, r3=10.80, r4=11.30, igr2= 843, 844, &end # # 28 ILE QG2 46 GLY HN 7.93 &rst ixpk= 0, nxpk= 0, iat= -1, 707, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02, igr1= 441, 442, 443, &end # # 13 ARG QB 15 ASP HN 1.38 &rst ixpk= 0, nxpk= 0, iat= -1, 231, r1= 1.30, r2= 1.80, r3= 1.55, r4= 2.05, igr1= 197, 198, &end # # 39 GLU QB 41 GLY HN 1.32 &rst ixpk= 0, nxpk= 0, iat= -1, 637, r1= 1.30, r2= 1.80, r3= 1.48, r4= 1.98, igr1= 602, 603, &end # # 52 ILE HN 78 MET HA 1.38 &rst ixpk= 0, nxpk= 0, iat= 808,1201, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, &end # # 24 VAL HN 25 GLN HN 9.62 &rst ixpk= 0, nxpk= 0, iat= 381, 397, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12, &end # # 49 ILE HA 80 THR HN 9.62 &rst ixpk= 0, nxpk= 0, iat= 757,1238, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12, &end # # 38 ALA QB 41 GLY HN 9.29 &rst ixpk= 0, nxpk= 0, iat= -1, 637, r1= 1.30, r2= 1.80, r3=11.16, r4=11.66, igr1= 592, 593, 594, &end # # 10 LEU HG 76 ILE HN 9.62 &rst ixpk= 0, nxpk= 0, iat= 138,1163, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12, &end # # 22 PHE QB 31 SER HN 9.62 &rst ixpk= 0, nxpk= 0, iat= -1, 484, r1= 1.30, r2= 1.80, r3=10.80, r4=11.30, igr1= 354, 355, &end # # 48 ARG HN 80 THR QG2 1.26 &rst ixpk= 0, nxpk= 0, iat= 731, -1, r1= 1.30, r2= 1.80, r3= 1.51, r4= 2.01, igr2=1244,1245,1246, &end # # 51 GLU HA 79 LYS HN 9.62 &rst ixpk= 0, nxpk= 0, iat= 795,1216, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12, &end # # 37 ILE QG2 40 ARG HN 9.62 &rst ixpk= 0, nxpk= 0, iat= -1, 613, r1= 1.30, r2= 1.80, r3=11.55, r4=12.05, igr1= 575, 576, 577, &end # # 38 ALA HN 39 GLU HN 9.62 &rst ixpk= 0, nxpk= 0, iat= 588, 598, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12, &end # # 28 ILE HA 47 HIS HN 9.62 &rst ixpk= 0, nxpk= 0, iat= 437, 714, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12, &end # # 68 ILE HA 70 SER HN 9.62 &rst ixpk= 0, nxpk= 0, iat=1054,1090, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12, &end # # 48 ARG HN 48 ARG QD 1.38 &rst ixpk= 0, nxpk= 0, iat= 731, -1, r1= 1.30, r2= 1.80, r3= 1.55, r4= 2.05, igr2= 741, 742, &end # # 68 ILE HN 69 LEU HA 1.38 &rst ixpk= 0, nxpk= 0, iat=1052,1073, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, &end # # 9 VAL HN 78 MET QB 9.62 &rst ixpk= 0, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.80, r3=10.80, r4=11.30, igr2=1203,1204, &end # # 22 PHE HN 23 SER HN 1.38 &rst ixpk= 0, nxpk= 0, iat= 350, 370, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, &end # # 69 LEU QB 71 ASN HN 9.62 &rst ixpk= 0, nxpk= 0, iat= -1,1101, r1= 1.30, r2= 1.80, r3=10.80, r4=11.30, igr1=1075,1076, &end # # 52 ILE HN 57 VAL HB 9.62 &rst ixpk= 0, nxpk= 0, iat= 808, 880, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12, &end # # 48 ARG HN 49 ILE HN 1.38 &rst ixpk= 0, nxpk= 0, iat= 731, 755, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, &end # # 29 ILE HN 83 ALA QB 1.38 &rst ixpk= 0, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 1.66, r4= 2.16, igr2=1287,1288,1289, &end # # 48 ARG HE 83 ALA HA 1.38 &rst ixpk= 0, nxpk= 0, iat= 744,1285, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, &end # # 62 HIS QB 64 LYS HN 9.62 &rst ixpk= 0, nxpk= 0, iat= -1, 978, r1= 1.30, r2= 1.80, r3=10.80, r4=11.30, igr1= 950, 951, &end # # 50 ILE HN 80 THR HN 1.38 &rst ixpk= 0, nxpk= 0, iat= 774,1238, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, &end # # 52 ILE HB 57 VAL HN 1.38 &rst ixpk= 0, nxpk= 0, iat= 812, 876, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, &end # # 36 GLY HN 38 ALA QB 1.36 &rst ixpk= 0, nxpk= 0, iat= 562, -1, r1= 1.30, r2= 1.80, r3= 1.63, r4= 2.13, igr2= 592, 593, 594, &end # # 53 ASN HN 76 ILE QG2 1.26 &rst ixpk= 0, nxpk= 0, iat= 827, -1, r1= 1.30, r2= 1.80, r3= 1.51, r4= 2.01, igr2=1169,1170,1171, &end # # 67 HIS HN 70 SER HN 1.38 &rst ixpk= 0, nxpk= 0, iat=1035,1090, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, &end # # 53 ASN QB 77 HIS HN 9.62 &rst ixpk= 0, nxpk= 0, iat= -1,1182, r1= 1.30, r2= 1.80, r3=10.80, r4=11.30, igr1= 831, 832, &end # # 11 ILE QG1 41 GLY HN 9.59 &rst ixpk= 0, nxpk= 0, iat= -1, 637, r1= 1.30, r2= 1.80, r3=10.76, r4=11.26, igr1= 160, 161, &end # # 32 LEU HN 45 VAL HB 1.38 &rst ixpk= 0, nxpk= 0, iat= 495, 695, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, &end # # 61 PRO QD 64 LYS HN 9.62 &rst ixpk= 0, nxpk= 0, iat= -1, 978, r1= 1.30, r2= 1.80, r3=10.80, r4=11.30, igr1= 933, 934, &end # # 51 GLU HA 54 GLY HN 1.37 &rst ixpk= 0, nxpk= 0, iat= 795, 841, r1= 1.30, r2= 1.80, r3= 1.37, r4= 1.87, &end # # 53 ASN HA 53 ASN QD2 9.62 &rst ixpk= 0, nxpk= 0, iat= 829, -1, r1= 1.30, r2= 1.80, r3=10.80, r4=11.30, igr2= 836, 837, &end # # 28 ILE HN 48 ARG QG 9.62 &rst ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3=10.80, r4=11.30, igr2= 738, 739, &end # # 21 GLY QA 39 GLU HN 1.38 &rst ixpk= 0, nxpk= 0, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 1.55, r4= 2.05, igr1= 345, 346, &end # # 66 VAL HN 68 ILE HN 9.62 &rst ixpk= 0, nxpk= 0, iat=1019,1052, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12, &end # # 53 ASN HN 79 LYS HN 1.38 &rst ixpk= 0, nxpk= 0, iat= 827,1216, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, &end # # 39 GLU HN 41 GLY HN 1.38 &rst ixpk= 0, nxpk= 0, iat= 598, 637, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, &end # # 50 ILE HN 58 VAL HB 1.38 &rst ixpk= 0, nxpk= 0, iat= 774, 896, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, &end # # 63 GLU HN 66 VAL HN 9.62 &rst ixpk= 0, nxpk= 0, iat= 963,1019, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12, &end # # 36 GLY QA 39 GLU HN 1.38 &rst ixpk= 0, nxpk= 0, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 1.55, r4= 2.05, igr1= 564, 565, &end # # 10 LEU HA 77 HIS HN 9.62 &rst ixpk= 0, nxpk= 0, iat= 133,1182, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12, &end # # 55 GLN QB 55 GLN QE2 1.38 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.74, r4= 2.24, igr1= 852, 853, igr2= 860, 861, &end # # 71 ASN HA 71 ASN QD2 9.62 &rst ixpk= 0, nxpk= 0, iat=1103, -1, r1= 1.30, r2= 1.80, r3=10.80, r4=11.30, igr2=1110,1111, &end # # 55 GLN QE2 68 ILE QG1 9.62 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.12, r4=12.62, igr1= 860, 861, igr2=1062,1063, &end # # 52 ILE HN 54 GLY QA 9.62 &rst ixpk= 0, nxpk= 0, iat= 808, -1, r1= 1.30, r2= 1.80, r3=10.80, r4=11.30, igr2= 843, 844, &end # # 52 ILE HB 54 GLY HN 1.38 &rst ixpk= 0, nxpk= 0, iat= 812, 841, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, &end # # 48 ARG QD 49 ILE HN 1.38 &rst ixpk= 0, nxpk= 0, iat= -1, 755, r1= 1.30, r2= 1.80, r3= 1.55, r4= 2.05, igr1= 741, 742, &end # # 57 VAL HN 60 THR QG2 9.62 &rst ixpk= 0, nxpk= 0, iat= 876, -1, r1= 1.30, r2= 1.80, r3=11.55, r4=12.05, igr2= 924, 925, 926, &end # # 11 ILE QG1 12 ARG HN 1.38 &rst ixpk= 0, nxpk= 0, iat= -1, 169, r1= 1.30, r2= 1.80, r3= 1.55, r4= 2.05, igr1= 160, 161, &end # # 34 ARG HN 35 GLY HN 1.38 &rst ixpk= 0, nxpk= 0, iat= 531, 555, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, &end # # 70 SER HN 71 ASN QD2 1.38 &rst ixpk= 0, nxpk= 0, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 1.55, r4= 2.05, igr2=1110,1111, &end # # 11 ILE HN 12 ARG HN 9.62 &rst ixpk= 0, nxpk= 0, iat= 150, 169, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12, &end # # 67 HIS HN 70 SER QB 1.38 &rst ixpk= 0, nxpk= 0, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 1.55, r4= 2.05, igr2=1094,1095, &end # # 13 ARG QG 74 GLY HN 1.28 &rst ixpk= 0, nxpk= 0, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 1.44, r4= 1.94, igr1= 200, 201, &end # # 64 LYS HN 67 HIS HN 1.38 &rst ixpk= 0, nxpk= 0, iat= 978,1035, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, &end # # 13 ARG HN 74 GLY HN 7.56 &rst ixpk= 0, nxpk= 0, iat= 193,1141, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, &end # # 50 ILE HN 51 GLU HA 1.38 &rst ixpk= 0, nxpk= 0, iat= 774, 795, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, &end # # 24 VAL HA 29 ILE HN 9.62 &rst ixpk= 0, nxpk= 0, iat= 383, 454, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12, &end # # 66 VAL HN 69 LEU HN 1.38 &rst ixpk= 0, nxpk= 0, iat=1019,1071, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, &end # # 27 GLY HN 28 ILE QG1 9.62 &rst ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3=10.80, r4=11.30, igr2= 445, 446, &end # # 52 ILE HN 79 LYS HN 1.38 &rst ixpk= 0, nxpk= 0, iat= 808,1216, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, &end # # 23 SER HN 38 ALA QB 1.38 &rst ixpk= 0, nxpk= 0, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 1.66, r4= 2.16, igr2= 592, 593, 594, &end # # 37 ILE QG1 38 ALA HN 1.38 &rst ixpk= 0, nxpk= 0, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 1.55, r4= 2.05, igr1= 579, 580, &end # # 49 ILE HA 79 LYS HN 9.62 &rst ixpk= 0, nxpk= 0, iat= 757,1216, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12, &end # # 53 ASN HN 72 ALA QB 1.38 &rst ixpk= 0, nxpk= 0, iat= 827, -1, r1= 1.30, r2= 1.80, r3= 1.66, r4= 2.16, igr2=1119,1120,1121, &end # # 58 VAL HB 59 ALA HN 9.62 &rst ixpk= 0, nxpk= 0, iat= 896, 908, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12, &end # # 54 GLY HN 79 LYS QG 9.62 &rst ixpk= 0, nxpk= 0, iat= 841, -1, r1= 1.30, r2= 1.80, r3=10.80, r4=11.30, igr2=1223,1224, &end # # 13 ARG HN 76 ILE HN 9.62 &rst ixpk= 0, nxpk= 0, iat= 193,1163, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12, &end # # 53 ASN HN 53 ASN QD2 1.38 &rst ixpk= 0, nxpk= 0, iat= 827, -1, r1= 1.30, r2= 1.80, r3= 1.55, r4= 2.05, igr2= 836, 837, &end # # 7 THR HN 81 MET QB 1.38 &rst ixpk= 0, nxpk= 0, iat= 87, -1, r1= 1.30, r2= 1.80, r3= 1.55, r4= 2.05, igr2=1256,1257, &end # # 7 THR HN 50 ILE QG1 1.38 &rst ixpk= 0, nxpk= 0, iat= 87, -1, r1= 1.30, r2= 1.80, r3= 1.55, r4= 2.05, igr2= 784, 785, &end # # 71 ASN HN 72 ALA HA 1.38 &rst ixpk= 0, nxpk= 0, iat=1101,1117, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, &end # # 9 VAL HN 79 LYS QD 1.27 &rst ixpk= 0, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 1.43, r4= 1.93, igr2=1226,1227, &end # # 10 LEU HN 77 HIS HA 1.38 &rst ixpk= 0, nxpk= 0, iat= 131,1184, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, &end # # 70 SER HA 72 ALA HN 1.23 &rst ixpk= 0, nxpk= 0, iat=1092,1115, r1= 1.30, r2= 1.80, r3= 1.23, r4= 1.73, &end # # 77 HIS HN 78 MET HA 1.38 &rst ixpk= 0, nxpk= 0, iat=1182,1201, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, &end # # 51 GLU QB 79 LYS HN 7.51 &rst ixpk= 0, nxpk= 0, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93, igr1= 797, 798, &end # # 7 THR QG2 80 THR HN 1.23 &rst ixpk= 0, nxpk= 0, iat= -1,1238, r1= 1.30, r2= 1.80, r3= 1.48, r4= 1.98, igr1= 93, 94, 95, &end # # 50 ILE QG2 81 MET HN 6.89 &rst ixpk= 0, nxpk= 0, iat= -1,1252, r1= 1.30, r2= 1.80, r3= 8.27, r4= 8.77, igr1= 780, 781, 782, &end # # 82 PRO QG 84 ALA HN 9.62 &rst ixpk= 0, nxpk= 0, iat= -1,1293, r1= 1.30, r2= 1.80, r3=10.80, r4=11.30, igr1=1273,1274, &end # # 9 VAL HN 10 LEU HA 8.40 &rst ixpk= 0, nxpk= 0, iat= 115, 133, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90, &end # # 9 VAL HN 78 MET HA 9.62 &rst ixpk= 0, nxpk= 0, iat= 115,1201, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12, &end # # 11 ILE HB 12 ARG HN 1.30 &rst ixpk= 0, nxpk= 0, iat= 154, 169, r1= 1.30, r2= 1.80, r3= 1.30, r4= 1.80, &end # # 33 MET HN 34 ARG HN 9.62 &rst ixpk= 0, nxpk= 0, iat= 514, 531, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12, &end # # 41 GLY HN 42 GLY HN 5.62 &rst ixpk= 0, nxpk= 0, iat= 637, 644, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end # # 32 LEU QB 45 VAL HN 9.62 &rst ixpk= 0, nxpk= 0, iat= -1, 691, r1= 1.30, r2= 1.80, r3=10.80, r4=11.30, igr1= 499, 500, &end # # 29 ILE HB 45 VAL HN 1.38 &rst ixpk= 0, nxpk= 0, iat= 458, 691, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, &end # # 29 ILE QG1 46 GLY HN 1.38 &rst ixpk= 0, nxpk= 0, iat= -1, 707, r1= 1.30, r2= 1.80, r3= 1.55, r4= 2.05, igr1= 464, 465, &end # # 81 MET HN 82 PRO QD 1.23 &rst ixpk= 0, nxpk= 0, iat=1252, -1, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, igr2=1270,1271, &end # # 51 GLU HN 80 THR HN 1.38 &rst ixpk= 0, nxpk= 0, iat= 793,1238, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, &end # # 78 MET HN 79 LYS HA 1.38 &rst ixpk= 0, nxpk= 0, iat=1199,1218, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, &end # # 53 ASN HN 78 MET HN 1.38 &rst ixpk= 0, nxpk= 0, iat= 827,1199, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, &end # # 52 ILE QG2 78 MET HN 9.57 &rst ixpk= 0, nxpk= 0, iat= -1,1199, r1= 1.30, r2= 1.80, r3=11.49, r4=11.99, igr1= 814, 815, 816, &end # # 78 MET HN 79 LYS QG 1.33 &rst ixpk= 0, nxpk= 0, iat=1199, -1, r1= 1.30, r2= 1.80, r3= 1.49, r4= 1.99, igr2=1223,1224, &end # # 77 HIS HN 78 MET HN 1.17 &rst ixpk= 0, nxpk= 0, iat=1182,1199, r1= 1.30, r2= 1.80, r3= 1.17, r4= 1.67, &end # # 8 THR HN 9 VAL HN 1.21 &rst ixpk= 0, nxpk= 0, iat= 101, 115, r1= 1.30, r2= 1.80, r3= 1.21, r4= 1.71, &end # # 54 GLY HN 78 MET HA 1.38 &rst ixpk= 0, nxpk= 0, iat= 841,1201, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, &end # # 54 GLY HN 55 GLN QG 9.62 &rst ixpk= 0, nxpk= 0, iat= 841, -1, r1= 1.30, r2= 1.80, r3=10.80, r4=11.30, igr2= 855, 856, &end # # 74 GLY QA 76 ILE HN 1.38 &rst ixpk= 0, nxpk= 0, iat= -1,1163, r1= 1.30, r2= 1.80, r3= 1.55, r4= 2.05, igr1=1143,1144, &end # # 74 GLY HN 75 GLU HN 8.05 &rst ixpk= 0, nxpk= 0, iat=1141,1148, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55, &end # # 68 ILE QG2 72 ALA HN 1.12 &rst ixpk= 0, nxpk= 0, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 1.35, r4= 1.85, igr1=1058,1059,1060, &end # # 69 LEU HN 69 LEU HG 5.86 &rst ixpk= 0, nxpk= 0, iat=1071,1078, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end # # 64 LYS QG 67 HIS HN 1.38 &rst ixpk= 0, nxpk= 0, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 1.55, r4= 2.05, igr1= 985, 986, &end # # 67 HIS HN 68 ILE HA 1.38 &rst ixpk= 0, nxpk= 0, iat=1035,1054, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, &end # # 60 THR QG2 66 VAL HN 9.62 &rst ixpk= 0, nxpk= 0, iat= -1,1019, r1= 1.30, r2= 1.80, r3=11.55, r4=12.05, igr1= 924, 925, 926, &end # # 60 THR HN 61 PRO QD 8.24 &rst ixpk= 0, nxpk= 0, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 9.25, r4= 9.75, igr2= 933, 934, &end # # 51 GLU HN 78 MET QG 9.62 &rst ixpk= 0, nxpk= 0, iat= 793, -1, r1= 1.30, r2= 1.80, r3=10.80, r4=11.30, igr2=1206,1207, &end # # 7 THR HN 79 LYS QB 9.55 &rst ixpk= 0, nxpk= 0, iat= 87, -1, r1= 1.30, r2= 1.80, r3=10.72, r4=11.22, igr2=1220,1221, &end # # 15 ASP HN 74 GLY HN 1.38 &rst ixpk= 0, nxpk= 0, iat= 231,1141, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, &end # # 13 ARG HA 13 ARG HE 9.62 &rst ixpk= 0, nxpk= 0, iat= 195, 206, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12, &end # # 13 ARG HE 19 GLN HA 9.62 &rst ixpk= 0, nxpk= 0, iat= 206, 309, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12, &end # # 34 ARG QD 36 GLY HN 9.62 &rst ixpk= 0, nxpk= 0, iat= -1, 562, r1= 1.30, r2= 1.80, r3=10.80, r4=11.30, igr1= 541, 542, &end # # 33 MET HN 36 GLY HN 1.38 &rst ixpk= 0, nxpk= 0, iat= 514, 562, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, &end # # 37 ILE QG2 41 GLY HN 9.62 &rst ixpk= 0, nxpk= 0, iat= -1, 637, r1= 1.30, r2= 1.80, r3=11.55, r4=12.05, igr1= 575, 576, 577, &end # # 12 ARG HN 41 GLY HN 1.38 &rst ixpk= 0, nxpk= 0, iat= 169, 637, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, &end # # 39 GLU HN 42 GLY HN 9.62 &rst ixpk= 0, nxpk= 0, iat= 598, 644, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12, &end # # 10 LEU HN 42 GLY QA 9.06 &rst ixpk= 0, nxpk= 0, iat= 131, -1, r1= 1.30, r2= 1.80, r3=10.17, r4=10.67, igr2= 646, 647, &end # # 76 ILE HN 76 ILE QG1 6.58 &rst ixpk= 0, nxpk= 0, iat=1163, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2=1173,1174, &end # # 75 GLU QB 76 ILE HN 1.01 &rst ixpk= 0, nxpk= 0, iat= -1,1163, r1= 1.30, r2= 1.80, r3= 1.13, r4= 1.63, igr1=1152,1153, &end # # 12 ARG HN 76 ILE HN 1.38 &rst ixpk= 0, nxpk= 0, iat= 169,1163, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, &end # # 29 ILE HN 47 HIS QB 1.38 &rst ixpk= 0, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 1.55, r4= 2.05, igr2= 718, 719, &end # # 52 ILE HA 77 HIS HN 1.38 &rst ixpk= 0, nxpk= 0, iat= 810,1182, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, &end # # 75 GLU QB 77 HIS HN 1.31 &rst ixpk= 0, nxpk= 0, iat= -1,1182, r1= 1.30, r2= 1.80, r3= 1.47, r4= 1.97, igr1=1152,1153, &end # # 77 HIS HN 78 MET QG 9.62 &rst ixpk= 0, nxpk= 0, iat=1182, -1, r1= 1.30, r2= 1.80, r3=10.80, r4=11.30, igr2=1206,1207, &end # # 25 GLN QB 27 GLY HN 1.38 &rst ixpk= 0, nxpk= 0, iat= -1, 428, r1= 1.30, r2= 1.80, r3= 1.55, r4= 2.05, igr1= 401, 402, &end # # 29 ILE QG1 30 CYS HN 1.35 &rst ixpk= 0, nxpk= 0, iat= -1, 473, r1= 1.30, r2= 1.80, r3= 1.52, r4= 2.02, igr1= 464, 465, &end # # 25 GLN QG 30 CYS HN 9.62 &rst ixpk= 0, nxpk= 0, iat= -1, 473, r1= 1.30, r2= 1.80, r3=10.80, r4=11.30, igr1= 404, 405, &end # # 23 SER QB 30 CYS HN 1.33 &rst ixpk= 0, nxpk= 0, iat= -1, 473, r1= 1.30, r2= 1.80, r3= 1.49, r4= 1.99, igr1= 374, 375, &end # # 7 THR HN 50 ILE QD1 1.38 &rst ixpk= 0, nxpk= 0, iat= 87, -1, r1= 1.30, r2= 1.80, r3= 1.66, r4= 2.16, igr2= 787, 788, 789, &end # # 7 THR HN 79 LYS QD 1.38 &rst ixpk= 0, nxpk= 0, iat= 87, -1, r1= 1.30, r2= 1.80, r3= 1.55, r4= 2.05, igr2=1226,1227, &end # # 12 ARG QD 13 ARG HN 1.38 &rst ixpk= 0, nxpk= 0, iat= -1, 193, r1= 1.30, r2= 1.80, r3= 1.55, r4= 2.05, igr1= 179, 180, &end # # 9 VAL HN 79 LYS QG 8.26 &rst ixpk= 0, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 9.27, r4= 9.77, igr2=1223,1224, &end # # 9 VAL HN 78 MET QG 1.38 &rst ixpk= 0, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 1.55, r4= 2.05, igr2=1206,1207, &end # # 48 ARG QB 83 ALA HN 1.18 &rst ixpk= 0, nxpk= 0, iat= -1,1283, r1= 1.30, r2= 1.80, r3= 1.32, r4= 1.82, igr1= 735, 736, &end # # 81 MET QG 83 ALA HN 1.38 &rst ixpk= 0, nxpk= 0, iat= -1,1283, r1= 1.30, r2= 1.80, r3= 1.55, r4= 2.05, igr1=1259,1260, &end # # 12 ARG HN 37 ILE HB 9.62 &rst ixpk= 0, nxpk= 0, iat= 169, 573, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12, &end # # 29 ILE HN 49 ILE HN 1.29 &rst ixpk= 0, nxpk= 0, iat= 454, 755, r1= 1.30, r2= 1.80, r3= 1.29, r4= 1.79, &end # # 71 ASN HN 72 ALA HN 5.58 &rst ixpk= 0, nxpk= 0, iat=1101,1115, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end # # 12 ARG QD 75 GLU HN 1.38 &rst ixpk= 0, nxpk= 0, iat= -1,1148, r1= 1.30, r2= 1.80, r3= 1.55, r4= 2.05, igr1= 179, 180, &end # # 19 GLN HN 37 ILE QD1 9.62 &rst ixpk= 0, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3=11.55, r4=12.05, igr2= 582, 583, 584, &end # # 51 GLU HN 79 LYS QG 8.35 &rst ixpk= 0, nxpk= 0, iat= 793, -1, r1= 1.30, r2= 1.80, r3= 9.37, r4= 9.87, igr2=1223,1224, &end # # 51 GLU HN 56 SER HA 9.62 &rst ixpk= 0, nxpk= 0, iat= 793, 867, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12, &end # # 25 GLN HN 25 GLN QG 0.96 &rst ixpk= 0, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 1.08, r4= 1.58, igr2= 404, 405, &end # # 25 GLN HN 29 ILE QG1 9.62 &rst ixpk= 0, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3=10.80, r4=11.30, igr2= 464, 465, &end # # 25 GLN HN 27 GLY QA 9.62 &rst ixpk= 0, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3=10.80, r4=11.30, igr2= 430, 431, &end # # 25 GLN HN 30 CYS HN 1.22 &rst ixpk= 0, nxpk= 0, iat= 397, 473, r1= 1.30, r2= 1.80, r3= 1.22, r4= 1.72, &end # # 25 GLN HN 26 ASN HN 1.38 &rst ixpk= 0, nxpk= 0, iat= 397, 414, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, &end # # 11 ILE HN 77 HIS HN 1.38 &rst ixpk= 0, nxpk= 0, iat= 150,1182, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, &end # # 62 HIS HN 63 GLU HA 9.62 &rst ixpk= 0, nxpk= 0, iat= 946, 965, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12, &end # # 21 GLY QA 38 ALA HN 9.62 &rst ixpk= 0, nxpk= 0, iat= -1, 588, r1= 1.30, r2= 1.80, r3=10.80, r4=11.30, igr1= 345, 346, &end # # 62 HIS HN 64 LYS HN 1.38 &rst ixpk= 0, nxpk= 0, iat= 946, 978, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, &end # # 62 HIS HN 65 ILE HN 1.38 &rst ixpk= 0, nxpk= 0, iat= 946,1000, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, &end # # 8 THR HN 79 LYS QD 1.37 &rst ixpk= 0, nxpk= 0, iat= 101, -1, r1= 1.30, r2= 1.80, r3= 1.54, r4= 2.04, igr2=1226,1227, &end # # 39 GLU HN 40 ARG QB 9.47 &rst ixpk= 0, nxpk= 0, iat= 598, -1, r1= 1.30, r2= 1.80, r3=10.63, r4=11.13, igr2= 617, 618, &end # # 37 ILE HN 39 GLU HN 9.62 &rst ixpk= 0, nxpk= 0, iat= 569, 598, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12, &end # # 63 GLU QG 67 HIS HN 9.62 &rst ixpk= 0, nxpk= 0, iat= -1,1035, r1= 1.30, r2= 1.80, r3=10.80, r4=11.30, igr1= 970, 971, &end # # 67 HIS HN 68 ILE QG1 1.38 &rst ixpk= 0, nxpk= 0, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 1.55, r4= 2.05, igr2=1062,1063, &end # # 52 ILE HN 55 GLN QG 7.42 &rst ixpk= 0, nxpk= 0, iat= 808, -1, r1= 1.30, r2= 1.80, r3= 8.33, r4= 8.83, igr2= 855, 856, &end # # 22 PHE QB 32 LEU HN 1.38 &rst ixpk= 0, nxpk= 0, iat= -1, 495, r1= 1.30, r2= 1.80, r3= 1.55, r4= 2.05, igr1= 354, 355, &end # # 31 SER QB 32 LEU HN 0.91 &rst ixpk= 0, nxpk= 0, iat= -1, 495, r1= 1.30, r2= 1.80, r3= 1.02, r4= 1.52, igr1= 488, 489, &end # # 56 SER HN 58 VAL HN 9.62 &rst ixpk= 0, nxpk= 0, iat= 865, 892, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12, &end # # 65 ILE HN 68 ILE HN 9.62 &rst ixpk= 0, nxpk= 0, iat=1000,1052, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12, &end # # 40 ARG HN 43 VAL HN 9.62 &rst ixpk= 0, nxpk= 0, iat= 613, 651, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12, &end # # 5 ASN QB 6 VAL HN 7.59 &rst ixpk= 0, nxpk= 0, iat= -1, 71, r1= 1.30, r2= 1.80, r3= 8.52, r4= 9.02, igr1= 61, 62, &end # # 6 VAL HN 81 MET QG 1.38 &rst ixpk= 0, nxpk= 0, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 1.55, r4= 2.05, igr2=1259,1260, &end # # 6 VAL HN 82 PRO QD 1.38 &rst ixpk= 0, nxpk= 0, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 1.55, r4= 2.05, igr2=1270,1271, &end # # 4 GLY QA 6 VAL HN 8.73 &rst ixpk= 0, nxpk= 0, iat= -1, 71, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30, igr1= 52, 53, &end # # 6 VAL HN 7 THR HB 9.62 &rst ixpk= 0, nxpk= 0, iat= 71, 91, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12, &end # # 29 ILE QD1 48 ARG HN 9.62 &rst ixpk= 0, nxpk= 0, iat= -1, 731, r1= 1.30, r2= 1.80, r3=11.55, r4=12.05, igr1= 467, 468, 469, &end # # 48 ARG HN 82 PRO QD 9.62 &rst ixpk= 0, nxpk= 0, iat= 731, -1, r1= 1.30, r2= 1.80, r3=10.80, r4=11.30, igr2=1270,1271, &end # # 48 ARG HN 49 ILE HA 9.62 &rst ixpk= 0, nxpk= 0, iat= 731, 757, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12, &end # # 29 ILE HN 48 ARG HN 1.38 &rst ixpk= 0, nxpk= 0, iat= 454, 731, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, &end # # 51 GLU HA 56 SER HN 1.38 &rst ixpk= 0, nxpk= 0, iat= 795, 865, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, &end # # 45 VAL HN 45 VAL QG2 0.92 &rst ixpk= 0, nxpk= 0, iat= 691, -1, r1= 1.30, r2= 1.80, r3= 1.10, r4= 1.60, igr2= 701, 702, 703, &end # # 68 ILE HN 71 ASN QB 1.38 &rst ixpk= 0, nxpk= 0, iat=1052, -1, r1= 1.30, r2= 1.80, r3= 1.55, r4= 2.05, igr2=1105,1106, &end # # 28 ILE HN 48 ARG HA 9.62 &rst ixpk= 0, nxpk= 0, iat= 435, 733, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12, &end # # 25 GLN QB 28 ILE HN 9.62 &rst ixpk= 0, nxpk= 0, iat= -1, 435, r1= 1.30, r2= 1.80, r3=10.80, r4=11.30, igr1= 401, 402, &end # # 50 ILE HN 79 LYS QG 1.34 &rst ixpk= 0, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 1.50, r4= 2.00, igr2=1223,1224, &end # # 50 ILE HN 79 LYS QB 1.18 &rst ixpk= 0, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 1.32, r4= 1.82, igr2=1220,1221, &end # # 60 THR HN 64 LYS QB 9.62 &rst ixpk= 0, nxpk= 0, iat= 918, -1, r1= 1.30, r2= 1.80, r3=10.80, r4=11.30, igr2= 982, 983, &end # # 57 VAL HN 60 THR HN 9.62 &rst ixpk= 0, nxpk= 0, iat= 876, 918, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12, &end # # 79 LYS HN 79 LYS QG 7.00 &rst ixpk= 0, nxpk= 0, iat=1216, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr2=1223,1224, &end # # 18 TYR HN 19 GLN QG 1.38 &rst ixpk= 0, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 1.55, r4= 2.05, igr2= 314, 315, &end # # 13 ARG QG 18 TYR HN 1.28 &rst ixpk= 0, nxpk= 0, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 1.44, r4= 1.94, igr1= 200, 201, &end # # 15 ASP HA 18 TYR HN 1.38 &rst ixpk= 0, nxpk= 0, iat= 233, 286, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, &end # # 13 ARG QD 18 TYR HN 9.62 &rst ixpk= 0, nxpk= 0, iat= -1, 286, r1= 1.30, r2= 1.80, r3=10.80, r4=11.30, igr1= 203, 204, &end # # 64 LYS HN 64 LYS QB 0.78 &rst ixpk= 0, nxpk= 0, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 0.88, r4= 1.38, igr2= 982, 983, &end # # 63 GLU QB 64 LYS HN 6.12 &rst ixpk= 0, nxpk= 0, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37, igr1= 967, 968, &end # # 64 LYS HN 64 LYS QE 1.38 &rst ixpk= 0, nxpk= 0, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 1.55, r4= 2.05, igr2= 991, 992, &end # # 37 ILE HN 40 ARG HN 9.62 &rst ixpk= 0, nxpk= 0, iat= 569, 613, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12, &end # # 17 ARG HN 17 ARG QG 5.95 &rst ixpk= 0, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18, igr2= 269, 270, &end # # 50 ILE QG1 81 MET HN 9.40 &rst ixpk= 0, nxpk= 0, iat= -1,1252, r1= 1.30, r2= 1.80, r3=10.55, r4=11.05, igr1= 784, 785, &end # # 13 ARG QG 73 VAL HN 9.62 &rst ixpk= 0, nxpk= 0, iat= -1,1125, r1= 1.30, r2= 1.80, r3=10.80, r4=11.30, igr1= 200, 201, &end # # 63 GLU HN 65 ILE QD1 1.38 &rst ixpk= 0, nxpk= 0, iat= 963, -1, r1= 1.30, r2= 1.80, r3= 1.66, r4= 2.16, igr2=1013,1014,1015, &end # # 50 ILE QG1 80 THR HN 9.12 &rst ixpk= 0, nxpk= 0, iat= -1,1238, r1= 1.30, r2= 1.80, r3=10.24, r4=10.74, igr1= 784, 785, &end # # 79 LYS QD 80 THR HN 7.31 &rst ixpk= 0, nxpk= 0, iat= -1,1238, r1= 1.30, r2= 1.80, r3= 8.21, r4= 8.71, igr1=1226,1227, &end # # 80 THR HN 81 MET QG 1.38 &rst ixpk= 0, nxpk= 0, iat=1238, -1, r1= 1.30, r2= 1.80, r3= 1.55, r4= 2.05, igr2=1259,1260, &end # # 47 HIS QB 80 THR HN 9.62 &rst ixpk= 0, nxpk= 0, iat= -1,1238, r1= 1.30, r2= 1.80, r3=10.80, r4=11.30, igr1= 718, 719, &end # # 35 GLY HN 40 ARG HN 1.38 &rst ixpk= 0, nxpk= 0, iat= 555, 613, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, &end # # 23 SER HN 23 SER QB 1.03 &rst ixpk= 0, nxpk= 0, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 1.16, r4= 1.66, igr2= 374, 375, &end # # 23 SER QB 31 SER HN 8.73 &rst ixpk= 0, nxpk= 0, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30, igr1= 374, 375, &end # # 31 SER HN 32 LEU QB 9.62 &rst ixpk= 0, nxpk= 0, iat= 484, -1, r1= 1.30, r2= 1.80, r3=10.80, r4=11.30, igr2= 499, 500, &end # # 29 ILE HB 31 SER HN 9.62 &rst ixpk= 0, nxpk= 0, iat= 458, 484, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12, &end # # 1 GLU QG 2 THR HN 1.38 &rst ixpk= 0, nxpk= 0, iat= -1, 19, r1= 1.30, r2= 1.80, r3= 1.55, r4= 2.05, igr1= 11, 12, &end # # 67 HIS QB 71 ASN QD2 9.62 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.12, r4=12.62, igr1=1039,1040, igr2=1110,1111, &end # # 23 SER HN 32 LEU HN 9.62 &rst ixpk= 0, nxpk= 0, iat= 370, 495, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12, &end # # 23 SER HN 24 VAL HN 9.62 &rst ixpk= 0, nxpk= 0, iat= 370, 381, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12, &end # # 2 THR HN 3 MET HN 8.91 &rst ixpk= 0, nxpk= 0, iat= 19, 33, r1= 1.30, r2= 1.80, r3= 8.91, r4= 9.41, &end # # 25 GLN QG 26 ASN QD2 9.62 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.12, r4=12.62, igr1= 404, 405, igr2= 423, 424, &end # # 26 ASN QD2 28 ILE QD1 1.38 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.86, r4= 2.36, igr1= 423, 424, igr2= 448, 449, 450, &end # # 26 ASN HA 26 ASN QD2 1.38 &rst ixpk= 0, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 1.55, r4= 2.05, igr2= 423, 424, &end # # 19 GLN HA 19 GLN QE2 9.62 &rst ixpk= 0, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3=10.80, r4=11.30, igr2= 319, 320, &end # # 19 GLN QB 19 GLN QE2 9.62 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.12, r4=12.62, igr1= 311, 312, igr2= 319, 320, &end # # 46 GLY HN 83 ALA QB 1.38 &rst ixpk= 0, nxpk= 0, iat= 707, -1, r1= 1.30, r2= 1.80, r3= 1.66, r4= 2.16, igr2=1287,1288,1289, &end # # 28 ILE HA 46 GLY HN 1.38 &rst ixpk= 0, nxpk= 0, iat= 437, 707, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, &end # # 13 ARG HA 74 GLY HN 1.36 &rst ixpk= 0, nxpk= 0, iat= 195,1141, r1= 1.30, r2= 1.80, r3= 1.36, r4= 1.86, &end # # 5 ASN QD2 82 PRO QD 1.38 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.74, r4= 2.24, igr1= 66, 67, igr2=1270,1271, &end # # 25 GLN QB 25 GLN QE2 7.82 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.85, r4=10.35, igr1= 401, 402, igr2= 409, 410, &end # # 25 GLN QE2 26 ASN QB 1.38 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.74, r4= 2.24, igr1= 409, 410, igr2= 418, 419, &end # # 15 ASP HN 18 TYR HA 1.38 &rst ixpk= 0, nxpk= 0, iat= 231, 288, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, &end # # 40 ARG QB 41 GLY HN 0.98 &rst ixpk= 0, nxpk= 0, iat= -1, 637, r1= 1.30, r2= 1.80, r3= 1.10, r4= 1.60, igr1= 617, 618, &end # # 48 ARG QB 48 ARG HE 1.21 &rst ixpk= 0, nxpk= 0, iat= -1, 744, r1= 1.30, r2= 1.80, r3= 1.36, r4= 1.86, igr1= 735, 736, &end # # 34 ARG HN 34 ARG QD 1.38 &rst ixpk= 0, nxpk= 0, iat= 531, -1, r1= 1.30, r2= 1.80, r3= 1.55, r4= 2.05, igr2= 541, 542, &end # # 48 ARG QB 84 ALA HN 1.35 &rst ixpk= 0, nxpk= 0, iat= -1,1293, r1= 1.30, r2= 1.80, r3= 1.52, r4= 2.02, igr1= 735, 736, &end # # 7 THR HN 82 PRO QD 1.38 &rst ixpk= 0, nxpk= 0, iat= 87, -1, r1= 1.30, r2= 1.80, r3= 1.55, r4= 2.05, igr2=1270,1271, &end # # 15 ASP HN 18 TYR QB 7.82 &rst ixpk= 0, nxpk= 0, iat= 231, -1, r1= 1.30, r2= 1.80, r3= 8.78, r4= 9.28, igr2= 290, 291, &end # # 46 GLY HN 47 HIS HN 0.93 &rst ixpk= 0, nxpk= 0, iat= 707, 714, r1= 1.30, r2= 1.80, r3= 0.93, r4= 1.43, &end # # 64 LYS QG 68 ILE HN 9.62 &rst ixpk= 0, nxpk= 0, iat= -1,1052, r1= 1.30, r2= 1.80, r3=10.80, r4=11.30, igr1= 985, 986, &end # # 67 HIS HA 69 LEU HN 8.89 &rst ixpk= 0, nxpk= 0, iat=1037,1071, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39, &end # # 70 SER HN 70 SER QB 0.83 &rst ixpk= 0, nxpk= 0, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 0.93, r4= 1.43, igr2=1094,1095, &end # # 70 SER QB 71 ASN HN 1.04 &rst ixpk= 0, nxpk= 0, iat= -1,1101, r1= 1.30, r2= 1.80, r3= 1.17, r4= 1.67, igr1=1094,1095, &end # # 15 ASP QB 17 ARG HN 1.10 &rst ixpk= 0, nxpk= 0, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 1.23, r4= 1.73, igr1= 235, 236, &end # # 30 CYS HN 45 VAL HA 9.62 &rst ixpk= 0, nxpk= 0, iat= 473, 693, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12, &end # # 22 PHE HA 32 LEU HN 9.33 &rst ixpk= 0, nxpk= 0, iat= 352, 495, r1= 1.30, r2= 1.80, r3= 9.33, r4= 9.83, &end # # 33 MET QG 36 GLY HN 8.65 &rst ixpk= 0, nxpk= 0, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21, igr1= 521, 522, &end # # 37 ILE QG1 39 GLU HN 9.62 &rst ixpk= 0, nxpk= 0, iat= -1, 598, r1= 1.30, r2= 1.80, r3=10.80, r4=11.30, igr1= 579, 580, &end # # 40 ARG QB 42 GLY HN 8.51 &rst ixpk= 0, nxpk= 0, iat= -1, 644, r1= 1.30, r2= 1.80, r3= 9.55, r4=10.05, igr1= 617, 618, &end # # 47 HIS HN 82 PRO HA 1.31 &rst ixpk= 0, nxpk= 0, iat= 714,1279, r1= 1.30, r2= 1.80, r3= 1.31, r4= 1.81, &end # # 45 VAL HN 47 HIS HN 9.22 &rst ixpk= 0, nxpk= 0, iat= 691, 714, r1= 1.30, r2= 1.80, r3= 9.22, r4= 9.72, &end # # 51 GLU HN 80 THR HA 1.19 &rst ixpk= 0, nxpk= 0, iat= 793,1240, r1= 1.30, r2= 1.80, r3= 1.19, r4= 1.69, &end # # 53 ASN HN 77 HIS HA 9.41 &rst ixpk= 0, nxpk= 0, iat= 827,1184, r1= 1.30, r2= 1.80, r3= 9.41, r4= 9.91, &end # # 51 GLU QG 55 GLN HN 6.81 &rst ixpk= 0, nxpk= 0, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, igr1= 800, 801, &end # # 55 GLN HN 55 GLN QG 0.99 &rst ixpk= 0, nxpk= 0, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 1.11, r4= 1.61, igr2= 855, 856, &end # # 55 GLN QB 56 SER HN 8.65 &rst ixpk= 0, nxpk= 0, iat= -1, 865, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21, igr1= 852, 853, &end # # 55 GLN HN 56 SER HN 1.33 &rst ixpk= 0, nxpk= 0, iat= 848, 865, r1= 1.30, r2= 1.80, r3= 1.33, r4= 1.83, &end # # 64 LYS HN 64 LYS QG 7.19 &rst ixpk= 0, nxpk= 0, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57, igr2= 985, 986, &end # # 64 LYS HN 67 HIS QB 1.37 &rst ixpk= 0, nxpk= 0, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 1.54, r4= 2.04, igr2=1039,1040, &end # # 66 VAL HN 67 HIS QB 9.62 &rst ixpk= 0, nxpk= 0, iat=1019, -1, r1= 1.30, r2= 1.80, r3=10.80, r4=11.30, igr2=1039,1040, &end # # 68 ILE HN 69 LEU HN 0.88 &rst ixpk= 0, nxpk= 0, iat=1052,1071, r1= 1.30, r2= 1.80, r3= 0.88, r4= 1.38, &end # # 67 HIS QB 70 SER HN 9.62 &rst ixpk= 0, nxpk= 0, iat= -1,1090, r1= 1.30, r2= 1.80, r3=10.80, r4=11.30, igr1=1039,1040, &end # # 70 SER HN 72 ALA HN 8.54 &rst ixpk= 0, nxpk= 0, iat=1090,1115, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04, &end # # 68 ILE QG2 71 ASN HN 9.01 &rst ixpk= 0, nxpk= 0, iat= -1,1101, r1= 1.30, r2= 1.80, r3=10.82, r4=11.32, igr1=1058,1059,1060, &end # # 13 ARG QD 72 ALA HN 1.38 &rst ixpk= 0, nxpk= 0, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 1.55, r4= 2.05, igr1= 203, 204, &end # # 69 LEU HN 72 ALA HN 9.62 &rst ixpk= 0, nxpk= 0, iat=1071,1115, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12, &end # # 72 ALA HN 73 VAL HN 1.12 &rst ixpk= 0, nxpk= 0, iat=1115,1125, r1= 1.30, r2= 1.80, r3= 1.12, r4= 1.62, &end # # 76 ILE HN 76 ILE QD1 0.94 &rst ixpk= 0, nxpk= 0, iat=1163, -1, r1= 1.30, r2= 1.80, r3= 1.13, r4= 1.63, igr2=1176,1177,1178, &end # # 75 GLU HN 76 ILE HN 1.17 &rst ixpk= 0, nxpk= 0, iat=1148,1163, r1= 1.30, r2= 1.80, r3= 1.17, r4= 1.67, &end # # 78 MET HN 78 MET QB 0.94 &rst ixpk= 0, nxpk= 0, iat=1199, -1, r1= 1.30, r2= 1.80, r3= 1.06, r4= 1.56, igr2=1203,1204, &end # # 79 LYS HN 79 LYS QB 0.96 &rst ixpk= 0, nxpk= 0, iat=1216, -1, r1= 1.30, r2= 1.80, r3= 1.08, r4= 1.58, igr2=1220,1221, &end # # 79 LYS QB 80 THR HN 0.99 &rst ixpk= 0, nxpk= 0, iat= -1,1238, r1= 1.30, r2= 1.80, r3= 1.11, r4= 1.61, igr1=1220,1221, &end # # 80 THR HN 81 MET HA 9.62 &rst ixpk= 0, nxpk= 0, iat=1238,1254, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12, &end # # 80 THR HN 81 MET HN 1.22 &rst ixpk= 0, nxpk= 0, iat=1238,1252, r1= 1.30, r2= 1.80, r3= 1.22, r4= 1.72, &end # # 81 MET HN 81 MET QG 6.88 &rst ixpk= 0, nxpk= 0, iat=1252, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr2=1259,1260, &end # # 81 MET HN 83 ALA HN 8.45 &rst ixpk= 0, nxpk= 0, iat=1252,1283, r1= 1.30, r2= 1.80, r3= 8.45, r4= 8.95, &end # # 5 ASN QB 5 ASN QD2 1.02 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.29, r4= 1.79, igr1= 61, 62, igr2= 66, 67, &end # # 29 ILE QD1 30 CYS HN 9.62 &rst ixpk= 0, nxpk= 0, iat= -1, 473, r1= 1.30, r2= 1.80, r3=11.55, r4=12.05, igr1= 467, 468, 469, &end # # 33 MET QG 34 ARG HN 1.38 &rst ixpk= 0, nxpk= 0, iat= -1, 531, r1= 1.30, r2= 1.80, r3= 1.55, r4= 2.05, igr1= 521, 522, &end # # 40 ARG HN 40 ARG QD 8.40 &rst ixpk= 0, nxpk= 0, iat= 613, -1, r1= 1.30, r2= 1.80, r3= 9.43, r4= 9.93, igr2= 623, 624, &end # # 27 GLY QA 49 ILE HN 1.33 &rst ixpk= 0, nxpk= 0, iat= -1, 755, r1= 1.30, r2= 1.80, r3= 1.49, r4= 1.99, igr1= 430, 431, &end # # 51 GLU HN 79 LYS QB 7.38 &rst ixpk= 0, nxpk= 0, iat= 793, -1, r1= 1.30, r2= 1.80, r3= 8.28, r4= 8.78, igr2=1220,1221, &end # # 51 GLU QG 52 ILE HN 6.42 &rst ixpk= 0, nxpk= 0, iat= -1, 808, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 800, 801, &end # # 55 GLN QG 56 SER HN 9.03 &rst ixpk= 0, nxpk= 0, iat= -1, 865, r1= 1.30, r2= 1.80, r3=10.14, r4=10.64, igr1= 855, 856, &end # # 50 ILE HA 79 LYS HN 1.38 &rst ixpk= 0, nxpk= 0, iat= 776,1216, r1= 1.30, r2= 1.80, r3= 1.38, r4= 1.88, &end # # 57 VAL HN 60 THR HB 8.42 &rst ixpk= 0, nxpk= 0, iat= 876, 922, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92, &end # # 18 TYR HN 18 TYR QE 1.30 &rst ixpk= 0, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 1.46, r4= 1.96, igr2= 296, 301, &end # # 15 ASP HN 18 TYR QE 1.31 &rst ixpk= 0, nxpk= 0, iat= 231, -1, r1= 1.30, r2= 1.80, r3= 1.47, r4= 1.97, igr2= 296, 301, &end # # 17 ARG HN 18 TYR QE 9.62 &rst ixpk= 0, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.80, r3=10.80, r4=11.30, igr2= 296, 301, &end # # 18 TYR QD 19 GLN HN 9.62 &rst ixpk= 0, nxpk= 0, iat= -1, 307, r1= 1.30, r2= 1.80, r3=10.80, r4=11.30, igr1= 294, 303, &end # # 22 PHE QD 23 SER HN 8.35 &rst ixpk= 0, nxpk= 0, iat= -1, 370, r1= 1.30, r2= 1.80, r3= 9.37, r4= 9.87, igr1= 358, 366, &end # # 22 PHE QD 29 ILE HN 1.38 &rst ixpk= 0, nxpk= 0, iat= -1, 454, r1= 1.30, r2= 1.80, r3= 1.55, r4= 2.05, igr1= 358, 366, &end # # 22 PHE QD 30 CYS HN 9.62 &rst ixpk= 0, nxpk= 0, iat= -1, 473, r1= 1.30, r2= 1.80, r3=10.80, r4=11.30, igr1= 358, 366, &end # # 22 PHE QD 31 SER HN 1.38 &rst ixpk= 0, nxpk= 0, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 1.55, r4= 2.05, igr1= 358, 366, &end # # 22 PHE HN 22 PHE QD 9.62 &rst ixpk= 0, nxpk= 0, iat= 350, -1, r1= 1.30, r2= 1.80, r3=10.80, r4=11.30, igr2= 358, 366, &end # # 53 ASN QD2 76 ILE HN 1.38 &rst ixpk= 0, nxpk= 0, iat= -1,1163, r1= 1.30, r2= 1.80, r3= 1.55, r4= 2.05, igr1= 836, 837, &end # # 53 ASN QD2 77 HIS HN 1.18 &rst ixpk= 0, nxpk= 0, iat= -1,1182, r1= 1.30, r2= 1.80, r3= 1.32, r4= 1.82, igr1= 836, 837, &end # # 15 ASP HN 18 TYR QD 7.17 &rst ixpk= 0, nxpk= 0, iat= 231, -1, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55, igr2= 294, 303, &end # # 17 ARG HN 18 TYR QD 1.15 &rst ixpk= 0, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 1.29, r4= 1.79, igr2= 294, 303, &end # # 18 TYR HN 18 TYR QD 0.92 &rst ixpk= 0, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 1.03, r4= 1.53, igr2= 294, 303, &end # # 3 MET HN 6 VAL QQG 1.38 &rst ixpk= 0, nxpk= 0, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 1.86, r4= 2.36, igr2= 77, 78, 79, 81, 82, 83, &end # # 4 GLY QA 6 VAL QQG 7.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.35, r4=11.85, igr1= 52, 53, igr2= 77, 78, 79, 81, 82, 83, &end # # 5 ASN HN 6 VAL QQG 8.95 &rst ixpk= 0, nxpk= 0, iat= 57, -1, r1= 1.30, r2= 1.80, r3=12.06, r4=12.56, igr2= 77, 78, 79, 81, 82, 83, &end # # 5 ASN HA 6 VAL QQG 8.01 &rst ixpk= 0, nxpk= 0, iat= 59, -1, r1= 1.30, r2= 1.80, r3=10.80, r4=11.30, igr2= 77, 78, 79, 81, 82, 83, &end # # 5 ASN QB 6 VAL QQG 8.09 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.24, r4=12.74, igr1= 61, 62, igr2= 77, 78, 79, 81, 82, 83, &end # # 6 VAL HN 6 VAL QQG 0.82 &rst ixpk= 0, nxpk= 0, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 1.11, r4= 1.61, igr2= 77, 78, 79, 81, 82, 83, &end # # 6 VAL HA 6 VAL QQG 0.73 &rst ixpk= 0, nxpk= 0, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 0.98, r4= 1.48, igr2= 77, 78, 79, 81, 82, 83, &end # # 6 VAL QQG 7 THR HN 0.92 &rst ixpk= 0, nxpk= 0, iat= -1, 87, r1= 1.30, r2= 1.80, r3= 1.24, r4= 1.74, igr1= 77, 78, 79, 81, 82, 83, &end # # 6 VAL QQG 7 THR HA 1.16 &rst ixpk= 0, nxpk= 0, iat= -1, 89, r1= 1.30, r2= 1.80, r3= 1.56, r4= 2.06, igr1= 77, 78, 79, 81, 82, 83, &end # # 6 VAL QQG 7 THR HB 7.41 &rst ixpk= 0, nxpk= 0, iat= -1, 91, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49, igr1= 77, 78, 79, 81, 82, 83, &end # # 6 VAL QQG 8 THR HN 1.22 &rst ixpk= 0, nxpk= 0, iat= -1, 101, r1= 1.30, r2= 1.80, r3= 1.64, r4= 2.14, igr1= 77, 78, 79, 81, 82, 83, &end # # 6 VAL QQG 79 LYS HA 6.39 &rst ixpk= 0, nxpk= 0, iat= -1,1218, r1= 1.30, r2= 1.80, r3= 8.61, r4= 9.11, igr1= 77, 78, 79, 81, 82, 83, &end # # 6 VAL QQG 79 LYS QB 0.70 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.06, r4= 1.56, igr1= 77, 78, 79, 81, 82, 83, igr2=1220,1221, &end # # 6 VAL QQG 79 LYS QG 0.89 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.35, r4= 1.85, igr1= 77, 78, 79, 81, 82, 83, igr2=1223,1224, &end # # 6 VAL QQG 79 LYS QD 0.77 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.17, r4= 1.67, igr1= 77, 78, 79, 81, 82, 83, igr2=1226,1227, &end # # 6 VAL QQG 79 LYS QE 0.95 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.44, r4= 1.94, igr1= 77, 78, 79, 81, 82, 83, igr2=1229,1230, &end # # 6 VAL QQG 81 MET QB 6.70 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.14, r4=10.64, igr1= 77, 78, 79, 81, 82, 83, igr2=1256,1257, &end # # 6 VAL QQG 81 MET QG 1.11 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.68, r4= 2.18, igr1= 77, 78, 79, 81, 82, 83, igr2=1259,1260, &end # # 6 VAL QQG 82 PRO QD 8.45 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.79, r4=13.29, igr1= 77, 78, 79, 81, 82, 83, igr2=1270,1271, &end # # 7 THR HN 9 VAL QQG 1.38 &rst ixpk= 0, nxpk= 0, iat= 87, -1, r1= 1.30, r2= 1.80, r3= 1.86, r4= 2.36, igr2= 121, 122, 123, 125, 126, 127, &end # # 7 THR HB 9 VAL QQG 1.12 &rst ixpk= 0, nxpk= 0, iat= 91, -1, r1= 1.30, r2= 1.80, r3= 1.51, r4= 2.01, igr2= 121, 122, 123, 125, 126, 127, &end # # 7 THR QG2 9 VAL QQG 0.74 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.20, r4= 1.70, igr1= 93, 94, 95, igr2= 121, 122, 123, 125, 126, 127, &end # # 8 THR HN 9 VAL QQG 7.91 &rst ixpk= 0, nxpk= 0, iat= 101, -1, r1= 1.30, r2= 1.80, r3=10.66, r4=11.16, igr2= 121, 122, 123, 125, 126, 127, &end # # 8 THR HB 9 VAL QQG 8.51 &rst ixpk= 0, nxpk= 0, iat= 105, -1, r1= 1.30, r2= 1.80, r3=11.47, r4=11.97, igr2= 121, 122, 123, 125, 126, 127, &end # # 9 VAL HN 10 LEU QQD 1.38 &rst ixpk= 0, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 1.86, r4= 2.36, igr2= 144, 145, 146, 140, 141, 142, &end # # 9 VAL HA 9 VAL QQG 0.78 &rst ixpk= 0, nxpk= 0, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 1.05, r4= 1.55, igr2= 121, 122, 123, 125, 126, 127, &end # # 9 VAL HB 43 VAL QQG 8.09 &rst ixpk= 0, nxpk= 0, iat= 119, -1, r1= 1.30, r2= 1.80, r3=10.91, r4=11.41, igr2= 657, 658, 659, 661, 662, 663, &end # # 9 VAL QQG 10 LEU HN 5.29 &rst ixpk= 0, nxpk= 0, iat= -1, 131, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63, igr1= 121, 122, 123, 125, 126, 127, &end # # 9 VAL QQG 10 LEU HA 7.03 &rst ixpk= 0, nxpk= 0, iat= -1, 133, r1= 1.30, r2= 1.80, r3= 9.48, r4= 9.98, igr1= 121, 122, 123, 125, 126, 127, &end # # 9 VAL QQG 11 ILE HN 0.85 &rst ixpk= 0, nxpk= 0, iat= -1, 150, r1= 1.30, r2= 1.80, r3= 1.15, r4= 1.65, igr1= 121, 122, 123, 125, 126, 127, &end # # 9 VAL QQG 41 GLY QA 1.17 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.77, r4= 2.27, igr1= 121, 122, 123, 125, 126, 127, igr2= 639, 640, &end # # 9 VAL QQG 42 GLY HN 1.12 &rst ixpk= 0, nxpk= 0, iat= -1, 644, r1= 1.30, r2= 1.80, r3= 1.51, r4= 2.01, igr1= 121, 122, 123, 125, 126, 127, &end # # 9 VAL QQG 42 GLY QA 0.99 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.50, r4= 2.00, igr1= 121, 122, 123, 125, 126, 127, igr2= 646, 647, &end # # 9 VAL QQG 43 VAL HA 0.86 &rst ixpk= 0, nxpk= 0, iat= -1, 653, r1= 1.30, r2= 1.80, r3= 1.16, r4= 1.66, igr1= 121, 122, 123, 125, 126, 127, &end # # 9 VAL QQG 43 VAL HB 6.81 &rst ixpk= 0, nxpk= 0, iat= -1, 655, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68, igr1= 121, 122, 123, 125, 126, 127, &end # # 9 VAL QQG 43 VAL QQG 5.04 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.16, r4= 9.66, igr1= 121, 122, 123, 125, 126, 127, igr2= 657, 658, 659, 661, 662, 663, &end # # 9 VAL QQG 77 HIS HA 8.05 &rst ixpk= 0, nxpk= 0, iat= -1,1184, r1= 1.30, r2= 1.80, r3=10.85, r4=11.35, igr1= 121, 122, 123, 125, 126, 127, &end # # 9 VAL QQG 78 MET HN 1.01 &rst ixpk= 0, nxpk= 0, iat= -1,1199, r1= 1.30, r2= 1.80, r3= 1.36, r4= 1.86, igr1= 121, 122, 123, 125, 126, 127, &end # # 9 VAL QQG 78 MET QB 5.64 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1= 121, 122, 123, 125, 126, 127, igr2=1203,1204, &end # # 9 VAL QQG 78 MET QG 1.02 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.54, r4= 2.04, igr1= 121, 122, 123, 125, 126, 127, igr2=1206,1207, &end # # 9 VAL QQG 78 MET QE 0.61 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 0.99, r4= 1.49, igr1= 121, 122, 123, 125, 126, 127, igr2=1210,1211,1212, &end # # 9 VAL QQG 79 LYS HA 1.07 &rst ixpk= 0, nxpk= 0, iat= -1,1218, r1= 1.30, r2= 1.80, r3= 1.44, r4= 1.94, igr1= 121, 122, 123, 125, 126, 127, &end # # 9 VAL QQG 80 THR HN 7.17 &rst ixpk= 0, nxpk= 0, iat= -1,1238, r1= 1.30, r2= 1.80, r3= 9.67, r4=10.17, igr1= 121, 122, 123, 125, 126, 127, &end # # 9 VAL QQG 80 THR QG2 0.92 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.49, r4= 1.99, igr1= 121, 122, 123, 125, 126, 127, igr2=1244,1245,1246, &end # # 10 LEU HN 10 LEU QQD 6.89 &rst ixpk= 0, nxpk= 0, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 9.29, r4= 9.79, igr2= 144, 145, 146, 140, 141, 142, &end # # 10 LEU QQD 11 ILE HN 1.14 &rst ixpk= 0, nxpk= 0, iat= -1, 150, r1= 1.30, r2= 1.80, r3= 1.54, r4= 2.04, igr1= 144, 145, 146, 140, 141, 142, &end # # 10 LEU QQD 12 ARG HN 9.35 &rst ixpk= 0, nxpk= 0, iat= -1, 169, r1= 1.30, r2= 1.80, r3=12.60, r4=13.10, igr1= 144, 145, 146, 140, 141, 142, &end # # 10 LEU QQD 12 ARG QB 1.21 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.83, r4= 2.33, igr1= 144, 145, 146, 140, 141, 142, igr2= 173, 174, &end # # 10 LEU QQD 12 ARG QG 6.97 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.55, r4=11.05, igr1= 144, 145, 146, 140, 141, 142, igr2= 176, 177, &end # # 10 LEU QQD 12 ARG QD 1.02 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.54, r4= 2.04, igr1= 144, 145, 146, 140, 141, 142, igr2= 179, 180, &end # # 10 LEU QQD 75 GLU HN 9.35 &rst ixpk= 0, nxpk= 0, iat= -1,1148, r1= 1.30, r2= 1.80, r3=12.60, r4=13.10, igr1= 144, 145, 146, 140, 141, 142, &end # # 10 LEU QQD 75 GLU HA 5.61 &rst ixpk= 0, nxpk= 0, iat= -1,1150, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 144, 145, 146, 140, 141, 142, &end # # 10 LEU QQD 75 GLU QB 4.79 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75, igr1= 144, 145, 146, 140, 141, 142, igr2=1152,1153, &end # # 10 LEU QQD 76 ILE HN 1.02 &rst ixpk= 0, nxpk= 0, iat= -1,1163, r1= 1.30, r2= 1.80, r3= 1.37, r4= 1.87, igr1= 144, 145, 146, 140, 141, 142, &end # # 10 LEU QQD 77 HIS HN 1.33 &rst ixpk= 0, nxpk= 0, iat= -1,1182, r1= 1.30, r2= 1.80, r3= 1.79, r4= 2.29, igr1= 144, 145, 146, 140, 141, 142, &end # # 10 LEU QQD 77 HIS HA 0.95 &rst ixpk= 0, nxpk= 0, iat= -1,1184, r1= 1.30, r2= 1.80, r3= 1.28, r4= 1.78, igr1= 144, 145, 146, 140, 141, 142, &end # # 10 LEU QQD 78 MET HN 1.33 &rst ixpk= 0, nxpk= 0, iat= -1,1199, r1= 1.30, r2= 1.80, r3= 1.79, r4= 2.29, igr1= 144, 145, 146, 140, 141, 142, &end # # 11 ILE HB 43 VAL QQG 8.44 &rst ixpk= 0, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3=11.38, r4=11.88, igr2= 657, 658, 659, 661, 662, 663, &end # # 11 ILE QG1 43 VAL QQG 1.10 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.66, r4= 2.16, igr1= 160, 161, igr2= 657, 658, 659, 661, 662, 663, &end # # 11 ILE QD1 43 VAL QQG 6.91 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.19, r4=11.69, igr1= 163, 164, 165, igr2= 657, 658, 659, 661, 662, 663, &end # # 13 ARG QG 16 LEU QQD 7.52 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.38, r4=11.88, igr1= 200, 201, igr2= 256, 257, 258, 252, 253, 254, &end # # 13 ARG QG 73 VAL QQG 5.08 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19, igr1= 200, 201, igr2=1131,1132,1133,1135,1136,1137, &end # # 13 ARG QD 16 LEU QQD 6.43 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.73, r4=10.23, igr1= 203, 204, igr2= 256, 257, 258, 252, 253, 254, &end # # 13 ARG QD 20 LEU QQD 7.79 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.79, r4=12.29, igr1= 203, 204, igr2= 337, 338, 339, 333, 334, 335, &end # # 13 ARG QD 73 VAL QQG 0.99 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.50, r4= 2.00, igr1= 203, 204, igr2=1131,1132,1133,1135,1136,1137, &end # # 13 ARG HE 16 LEU QQD 0.91 &rst ixpk= 0, nxpk= 0, iat= 206, -1, r1= 1.30, r2= 1.80, r3= 1.23, r4= 1.73, igr2= 256, 257, 258, 252, 253, 254, &end # # 15 ASP HN 73 VAL QQG 6.35 &rst ixpk= 0, nxpk= 0, iat= 231, -1, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, igr2=1131,1132,1133,1135,1136,1137, &end # # 15 ASP HA 16 LEU QQD 1.11 &rst ixpk= 0, nxpk= 0, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 1.50, r4= 2.00, igr2= 256, 257, 258, 252, 253, 254, &end # # 15 ASP HA 73 VAL QQG 4.93 &rst ixpk= 0, nxpk= 0, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15, igr2=1131,1132,1133,1135,1136,1137, &end # # 15 ASP QB 73 VAL QQG 1.11 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.68, r4= 2.18, igr1= 235, 236, igr2=1131,1132,1133,1135,1136,1137, &end # # 16 LEU HN 16 LEU QQD 0.93 &rst ixpk= 0, nxpk= 0, iat= 243, -1, r1= 1.30, r2= 1.80, r3= 1.25, r4= 1.75, igr2= 256, 257, 258, 252, 253, 254, &end # # 16 LEU HN 73 VAL QQG 0.94 &rst ixpk= 0, nxpk= 0, iat= 243, -1, r1= 1.30, r2= 1.80, r3= 1.27, r4= 1.77, igr2=1131,1132,1133,1135,1136,1137, &end # # 16 LEU HA 16 LEU QQD 0.90 &rst ixpk= 0, nxpk= 0, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 1.21, r4= 1.71, igr2= 256, 257, 258, 252, 253, 254, &end # # 16 LEU HA 73 VAL QQG 6.53 &rst ixpk= 0, nxpk= 0, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30, igr2=1131,1132,1133,1135,1136,1137, &end # # 16 LEU QB 16 LEU QQD 0.81 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.23, r4= 1.73, igr1= 247, 248, igr2= 256, 257, 258, 252, 253, 254, &end # # 16 LEU QQD 17 ARG HN 1.05 &rst ixpk= 0, nxpk= 0, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 1.42, r4= 1.92, igr1= 256, 257, 258, 252, 253, 254, &end # # 16 LEU QQD 18 TYR HN 7.99 &rst ixpk= 0, nxpk= 0, iat= -1, 286, r1= 1.30, r2= 1.80, r3=10.77, r4=11.27, igr1= 256, 257, 258, 252, 253, 254, &end # # 16 LEU QQD 71 ASN HN 1.25 &rst ixpk= 0, nxpk= 0, iat= -1,1101, r1= 1.30, r2= 1.80, r3= 1.69, r4= 2.19, igr1= 256, 257, 258, 252, 253, 254, &end # # 16 LEU QQD 71 ASN HA 6.09 &rst ixpk= 0, nxpk= 0, iat= -1,1103, r1= 1.30, r2= 1.80, r3= 8.21, r4= 8.71, igr1= 256, 257, 258, 252, 253, 254, &end # # 16 LEU QQD 71 ASN QB 7.30 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.05, r4=11.55, igr1= 256, 257, 258, 252, 253, 254, igr2=1105,1106, &end # # 16 LEU QQD 71 ASN QD2 9.35 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=14.15, r4=14.65, igr1= 256, 257, 258, 252, 253, 254, igr2=1110,1111, &end # # 16 LEU QQD 72 ALA HN 6.88 &rst ixpk= 0, nxpk= 0, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 9.27, r4= 9.77, igr1= 256, 257, 258, 252, 253, 254, &end # # 16 LEU QQD 72 ALA HA 0.98 &rst ixpk= 0, nxpk= 0, iat= -1,1117, r1= 1.30, r2= 1.80, r3= 1.32, r4= 1.82, igr1= 256, 257, 258, 252, 253, 254, &end # # 16 LEU QQD 73 VAL HB 6.14 &rst ixpk= 0, nxpk= 0, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 8.28, r4= 8.78, igr1= 256, 257, 258, 252, 253, 254, &end # # 19 GLN HN 20 LEU QQD 1.38 &rst ixpk= 0, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 1.86, r4= 2.36, igr2= 337, 338, 339, 333, 334, 335, &end # # 19 GLN QG 20 LEU QQD 1.27 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.92, r4= 2.42, igr1= 314, 315, igr2= 337, 338, 339, 333, 334, 335, &end # # 19 GLN QE2 20 LEU QQD 0.88 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.33, r4= 1.83, igr1= 319, 320, igr2= 337, 338, 339, 333, 334, 335, &end # # 20 LEU QQD 69 LEU QB 5.18 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34, igr1= 337, 338, 339, 333, 334, 335, igr2=1075,1076, &end # # 20 LEU QQD 70 SER HN 7.91 &rst ixpk= 0, nxpk= 0, iat= -1,1090, r1= 1.30, r2= 1.80, r3=10.66, r4=11.16, igr1= 337, 338, 339, 333, 334, 335, &end # # 20 LEU QQD 70 SER HA 7.13 &rst ixpk= 0, nxpk= 0, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11, igr1= 337, 338, 339, 333, 334, 335, &end # # 21 GLY QA 32 LEU QQD 8.18 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.38, r4=12.88, igr1= 345, 346, igr2= 508, 509, 510, 504, 505, 506, &end # # 22 PHE HN 32 LEU QQD 9.35 &rst ixpk= 0, nxpk= 0, iat= 350, -1, r1= 1.30, r2= 1.80, r3=12.60, r4=13.10, igr2= 508, 509, 510, 504, 505, 506, &end # # 22 PHE HA 32 LEU QQD 0.94 &rst ixpk= 0, nxpk= 0, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 1.27, r4= 1.77, igr2= 508, 509, 510, 504, 505, 506, &end # # 22 PHE QB 32 LEU QQD 5.66 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, igr1= 354, 355, igr2= 508, 509, 510, 504, 505, 506, &end # # 22 PHE QB 43 VAL QQG 7.16 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.83, r4=11.33, igr1= 354, 355, igr2= 657, 658, 659, 661, 662, 663, &end # # 22 PHE QD 32 LEU QQD 1.01 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.53, r4= 2.03, igr1= 358, 366, igr2= 508, 509, 510, 504, 505, 506, &end # # 23 SER HN 43 VAL QQG 9.35 &rst ixpk= 0, nxpk= 0, iat= 370, -1, r1= 1.30, r2= 1.80, r3=12.60, r4=13.10, igr2= 657, 658, 659, 661, 662, 663, &end # # 24 VAL HA 24 VAL QQG 0.88 &rst ixpk= 0, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 1.19, r4= 1.69, igr2= 387, 388, 389, 391, 392, 393, &end # # 24 VAL QQG 25 GLN HN 6.70 &rst ixpk= 0, nxpk= 0, iat= -1, 397, r1= 1.30, r2= 1.80, r3= 9.03, r4= 9.53, igr1= 387, 388, 389, 391, 392, 393, &end # # 24 VAL QQG 25 GLN HA 0.91 &rst ixpk= 0, nxpk= 0, iat= -1, 399, r1= 1.30, r2= 1.80, r3= 1.23, r4= 1.73, igr1= 387, 388, 389, 391, 392, 393, &end # # 24 VAL QQG 27 GLY HN 0.81 &rst ixpk= 0, nxpk= 0, iat= -1, 428, r1= 1.30, r2= 1.80, r3= 1.09, r4= 1.59, igr1= 387, 388, 389, 391, 392, 393, &end # # 24 VAL QQG 28 ILE HN 6.12 &rst ixpk= 0, nxpk= 0, iat= -1, 435, r1= 1.30, r2= 1.80, r3= 8.25, r4= 8.75, igr1= 387, 388, 389, 391, 392, 393, &end # # 24 VAL QQG 29 ILE HN 0.85 &rst ixpk= 0, nxpk= 0, iat= -1, 454, r1= 1.30, r2= 1.80, r3= 1.15, r4= 1.65, igr1= 387, 388, 389, 391, 392, 393, &end # # 24 VAL QQG 29 ILE HA 0.82 &rst ixpk= 0, nxpk= 0, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 1.11, r4= 1.61, igr1= 387, 388, 389, 391, 392, 393, &end # # 24 VAL QQG 29 ILE QG1 0.98 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.48, r4= 1.98, igr1= 387, 388, 389, 391, 392, 393, igr2= 464, 465, &end # # 29 ILE HN 43 VAL QQG 9.35 &rst ixpk= 0, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3=12.60, r4=13.10, igr2= 657, 658, 659, 661, 662, 663, &end # # 29 ILE HB 43 VAL QQG 7.63 &rst ixpk= 0, nxpk= 0, iat= 458, -1, r1= 1.30, r2= 1.80, r3=10.29, r4=10.79, igr2= 657, 658, 659, 661, 662, 663, &end # # 29 ILE QG2 43 VAL QQG 0.68 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.10, r4= 1.60, igr1= 460, 461, 462, igr2= 657, 658, 659, 661, 662, 663, &end # # 29 ILE QG1 43 VAL QQG 6.36 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12, igr1= 464, 465, igr2= 657, 658, 659, 661, 662, 663, &end # # 29 ILE QD1 43 VAL QQG 5.09 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.24, r4= 8.74, igr1= 467, 468, 469, igr2= 657, 658, 659, 661, 662, 663, &end # # 31 SER HA 45 VAL QQG 0.89 &rst ixpk= 0, nxpk= 0, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 1.20, r4= 1.70, igr2= 697, 698, 699, 701, 702, 703, &end # # 31 SER QB 45 VAL QQG 0.94 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.42, r4= 1.92, igr1= 488, 489, igr2= 697, 698, 699, 701, 702, 703, &end # # 32 LEU HN 32 LEU QQD 1.09 &rst ixpk= 0, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 1.47, r4= 1.97, igr2= 508, 509, 510, 504, 505, 506, &end # # 32 LEU HN 45 VAL QQG 6.19 &rst ixpk= 0, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 8.34, r4= 8.84, igr2= 697, 698, 699, 701, 702, 703, &end # # 32 LEU QB 45 VAL QQG 0.83 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.26, r4= 1.76, igr1= 499, 500, igr2= 697, 698, 699, 701, 702, 703, &end # # 32 LEU QQD 33 MET HN 0.91 &rst ixpk= 0, nxpk= 0, iat= -1, 514, r1= 1.30, r2= 1.80, r3= 1.23, r4= 1.73, igr1= 508, 509, 510, 504, 505, 506, &end # # 32 LEU QQD 33 MET HA 1.22 &rst ixpk= 0, nxpk= 0, iat= -1, 516, r1= 1.30, r2= 1.80, r3= 1.64, r4= 2.14, igr1= 508, 509, 510, 504, 505, 506, &end # # 32 LEU QQD 34 ARG HN 1.38 &rst ixpk= 0, nxpk= 0, iat= -1, 531, r1= 1.30, r2= 1.80, r3= 1.86, r4= 2.36, igr1= 508, 509, 510, 504, 505, 506, &end # # 32 LEU QQD 34 ARG HA 8.18 &rst ixpk= 0, nxpk= 0, iat= -1, 533, r1= 1.30, r2= 1.80, r3=11.03, r4=11.53, igr1= 508, 509, 510, 504, 505, 506, &end # # 32 LEU QQD 35 GLY HN 9.35 &rst ixpk= 0, nxpk= 0, iat= -1, 555, r1= 1.30, r2= 1.80, r3=12.60, r4=13.10, igr1= 508, 509, 510, 504, 505, 506, &end # # 32 LEU QQD 36 GLY HN 1.26 &rst ixpk= 0, nxpk= 0, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 1.70, r4= 2.20, igr1= 508, 509, 510, 504, 505, 506, &end # # 32 LEU QQD 38 ALA HN 6.59 &rst ixpk= 0, nxpk= 0, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 8.88, r4= 9.38, igr1= 508, 509, 510, 504, 505, 506, &end # # 32 LEU QQD 38 ALA QB 5.16 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, igr1= 508, 509, 510, 504, 505, 506, igr2= 592, 593, 594, &end # # 32 LEU QQD 39 GLU HN 1.12 &rst ixpk= 0, nxpk= 0, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 1.51, r4= 2.01, igr1= 508, 509, 510, 504, 505, 506, &end # # 32 LEU QQD 39 GLU HA 0.86 &rst ixpk= 0, nxpk= 0, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 1.16, r4= 1.66, igr1= 508, 509, 510, 504, 505, 506, &end # # 32 LEU QQD 39 GLU QB 0.87 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.32, r4= 1.82, igr1= 508, 509, 510, 504, 505, 506, igr2= 602, 603, &end # # 32 LEU QQD 39 GLU QG 6.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34, igr1= 508, 509, 510, 504, 505, 506, igr2= 605, 606, &end # # 32 LEU QQD 40 ARG HN 1.24 &rst ixpk= 0, nxpk= 0, iat= -1, 613, r1= 1.30, r2= 1.80, r3= 1.67, r4= 2.17, igr1= 508, 509, 510, 504, 505, 506, &end # # 32 LEU QQD 42 GLY HN 8.22 &rst ixpk= 0, nxpk= 0, iat= -1, 644, r1= 1.30, r2= 1.80, r3=11.08, r4=11.58, igr1= 508, 509, 510, 504, 505, 506, &end # # 32 LEU QQD 43 VAL HN 0.96 &rst ixpk= 0, nxpk= 0, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 1.29, r4= 1.79, igr1= 508, 509, 510, 504, 505, 506, &end # # 32 LEU QQD 43 VAL HB 0.89 &rst ixpk= 0, nxpk= 0, iat= -1, 655, r1= 1.30, r2= 1.80, r3= 1.20, r4= 1.70, igr1= 508, 509, 510, 504, 505, 506, &end # # 32 LEU QQD 43 VAL QQG 0.89 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.62, r4= 2.12, igr1= 508, 509, 510, 504, 505, 506, igr2= 657, 658, 659, 661, 662, 663, &end # # 32 LEU QQD 44 ARG HN 9.25 &rst ixpk= 0, nxpk= 0, iat= -1, 667, r1= 1.30, r2= 1.80, r3=12.47, r4=12.97, igr1= 508, 509, 510, 504, 505, 506, &end # # 32 LEU QQD 44 ARG HA 6.30 &rst ixpk= 0, nxpk= 0, iat= -1, 669, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99, igr1= 508, 509, 510, 504, 505, 506, &end # # 32 LEU QQD 44 ARG QG 7.39 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.18, r4=11.68, igr1= 508, 509, 510, 504, 505, 506, igr2= 674, 675, &end # # 32 LEU QQD 44 ARG QD 8.32 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.59, r4=13.09, igr1= 508, 509, 510, 504, 505, 506, igr2= 677, 678, &end # # 32 LEU QQD 45 VAL HN 6.68 &rst ixpk= 0, nxpk= 0, iat= -1, 691, r1= 1.30, r2= 1.80, r3= 9.00, r4= 9.50, igr1= 508, 509, 510, 504, 505, 506, &end # # 38 ALA HA 43 VAL QQG 0.88 &rst ixpk= 0, nxpk= 0, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 1.19, r4= 1.69, igr2= 657, 658, 659, 661, 662, 663, &end # # 38 ALA QB 43 VAL QQG 0.88 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.42, r4= 1.92, igr1= 592, 593, 594, igr2= 657, 658, 659, 661, 662, 663, &end # # 39 GLU HN 43 VAL QQG 1.38 &rst ixpk= 0, nxpk= 0, iat= 598, -1, r1= 1.30, r2= 1.80, r3= 1.86, r4= 2.36, igr2= 657, 658, 659, 661, 662, 663, &end # # 39 GLU HA 43 VAL QQG 1.25 &rst ixpk= 0, nxpk= 0, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 1.69, r4= 2.19, igr2= 657, 658, 659, 661, 662, 663, &end # # 40 ARG HN 43 VAL QQG 1.38 &rst ixpk= 0, nxpk= 0, iat= 613, -1, r1= 1.30, r2= 1.80, r3= 1.86, r4= 2.36, igr2= 657, 658, 659, 661, 662, 663, &end # # 41 GLY HN 43 VAL QQG 9.17 &rst ixpk= 0, nxpk= 0, iat= 637, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr2= 657, 658, 659, 661, 662, 663, &end # # 41 GLY QA 43 VAL QQG 7.74 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.71, r4=12.21, igr1= 639, 640, igr2= 657, 658, 659, 661, 662, 663, &end # # 42 GLY HN 43 VAL QQG 1.10 &rst ixpk= 0, nxpk= 0, iat= 644, -1, r1= 1.30, r2= 1.80, r3= 1.48, r4= 1.98, igr2= 657, 658, 659, 661, 662, 663, &end # # 43 VAL HN 43 VAL QQG 1.02 &rst ixpk= 0, nxpk= 0, iat= 651, -1, r1= 1.30, r2= 1.80, r3= 1.37, r4= 1.87, igr2= 657, 658, 659, 661, 662, 663, &end # # 43 VAL HA 43 VAL QQG 0.80 &rst ixpk= 0, nxpk= 0, iat= 653, -1, r1= 1.30, r2= 1.80, r3= 1.08, r4= 1.58, igr2= 657, 658, 659, 661, 662, 663, &end # # 43 VAL QQG 44 ARG HN 5.92 &rst ixpk= 0, nxpk= 0, iat= -1, 667, r1= 1.30, r2= 1.80, r3= 7.98, r4= 8.48, igr1= 657, 658, 659, 661, 662, 663, &end # # 43 VAL QQG 44 ARG HA 1.08 &rst ixpk= 0, nxpk= 0, iat= -1, 669, r1= 1.30, r2= 1.80, r3= 1.46, r4= 1.96, igr1= 657, 658, 659, 661, 662, 663, &end # # 43 VAL QQG 45 VAL HA 1.16 &rst ixpk= 0, nxpk= 0, iat= -1, 693, r1= 1.30, r2= 1.80, r3= 1.56, r4= 2.06, igr1= 657, 658, 659, 661, 662, 663, &end # # 43 VAL QQG 78 MET QE 0.82 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.33, r4= 1.83, igr1= 657, 658, 659, 661, 662, 663, igr2=1210,1211,1212, &end # # 45 VAL QQG 46 GLY HN 5.37 &rst ixpk= 0, nxpk= 0, iat= -1, 707, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74, igr1= 697, 698, 699, 701, 702, 703, &end # # 45 VAL QQG 46 GLY QA 1.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.51, r4= 2.01, igr1= 697, 698, 699, 701, 702, 703, igr2= 709, 710, &end # # 45 VAL QQG 47 HIS HN 1.05 &rst ixpk= 0, nxpk= 0, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 1.42, r4= 1.92, igr1= 697, 698, 699, 701, 702, 703, &end # # 48 ARG QD 58 VAL QQG 7.64 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.56, r4=12.06, igr1= 741, 742, igr2= 898, 899, 900, 902, 903, 904, &end # # 49 ILE HA 57 VAL QQG 1.23 &rst ixpk= 0, nxpk= 0, iat= 757, -1, r1= 1.30, r2= 1.80, r3= 1.66, r4= 2.16, igr2= 882, 883, 884, 886, 887, 888, &end # # 49 ILE HB 57 VAL QQG 1.00 &rst ixpk= 0, nxpk= 0, iat= 759, -1, r1= 1.30, r2= 1.80, r3= 1.35, r4= 1.85, igr2= 882, 883, 884, 886, 887, 888, &end # # 49 ILE QG2 57 VAL QQG 0.70 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.13, r4= 1.63, igr1= 761, 762, 763, igr2= 882, 883, 884, 886, 887, 888, &end # # 50 ILE HN 57 VAL QQG 1.07 &rst ixpk= 0, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 1.44, r4= 1.94, igr2= 882, 883, 884, 886, 887, 888, &end # # 50 ILE HN 58 VAL QQG 7.46 &rst ixpk= 0, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3=10.06, r4=10.56, igr2= 898, 899, 900, 902, 903, 904, &end # # 50 ILE HA 57 VAL QQG 0.86 &rst ixpk= 0, nxpk= 0, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 1.16, r4= 1.66, igr2= 882, 883, 884, 886, 887, 888, &end # # 50 ILE HA 58 VAL QQG 0.80 &rst ixpk= 0, nxpk= 0, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 1.08, r4= 1.58, igr2= 898, 899, 900, 902, 903, 904, &end # # 50 ILE HB 58 VAL QQG 0.84 &rst ixpk= 0, nxpk= 0, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 1.13, r4= 1.63, igr2= 898, 899, 900, 902, 903, 904, &end # # 50 ILE QG2 58 VAL QQG 5.15 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.34, r4= 8.84, igr1= 780, 781, 782, igr2= 898, 899, 900, 902, 903, 904, &end # # 51 GLU HN 57 VAL QQG 6.91 &rst ixpk= 0, nxpk= 0, iat= 793, -1, r1= 1.30, r2= 1.80, r3= 9.31, r4= 9.81, igr2= 882, 883, 884, 886, 887, 888, &end # # 51 GLU HA 57 VAL QQG 5.68 &rst ixpk= 0, nxpk= 0, iat= 795, -1, r1= 1.30, r2= 1.80, r3= 7.66, r4= 8.16, igr2= 882, 883, 884, 886, 887, 888, &end # # 51 GLU QG 57 VAL QQG 0.98 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.48, r4= 1.98, igr1= 800, 801, igr2= 882, 883, 884, 886, 887, 888, &end # # 52 ILE HN 57 VAL QQG 0.89 &rst ixpk= 0, nxpk= 0, iat= 808, -1, r1= 1.30, r2= 1.80, r3= 1.20, r4= 1.70, igr2= 882, 883, 884, 886, 887, 888, &end # # 52 ILE HB 57 VAL QQG 0.80 &rst ixpk= 0, nxpk= 0, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 1.08, r4= 1.58, igr2= 882, 883, 884, 886, 887, 888, &end # # 52 ILE QD1 57 VAL QQG 0.80 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.30, r4= 1.80, igr1= 821, 822, 823, igr2= 882, 883, 884, 886, 887, 888, &end # # 55 GLN HN 57 VAL QQG 7.41 &rst ixpk= 0, nxpk= 0, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49, igr2= 882, 883, 884, 886, 887, 888, &end # # 55 GLN HA 57 VAL QQG 7.54 &rst ixpk= 0, nxpk= 0, iat= 850, -1, r1= 1.30, r2= 1.80, r3=10.16, r4=10.66, igr2= 882, 883, 884, 886, 887, 888, &end # # 55 GLN QB 57 VAL QQG 0.98 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.48, r4= 1.98, igr1= 852, 853, igr2= 882, 883, 884, 886, 887, 888, &end # # 55 GLN QG 57 VAL QQG 6.94 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.50, r4=11.00, igr1= 855, 856, igr2= 882, 883, 884, 886, 887, 888, &end # # 55 GLN QE2 57 VAL QQG 1.18 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.79, r4= 2.29, igr1= 860, 861, igr2= 882, 883, 884, 886, 887, 888, &end # # 56 SER HN 57 VAL QQG 9.35 &rst ixpk= 0, nxpk= 0, iat= 865, -1, r1= 1.30, r2= 1.80, r3=12.60, r4=13.10, igr2= 882, 883, 884, 886, 887, 888, &end # # 56 SER HA 57 VAL QQG 1.05 &rst ixpk= 0, nxpk= 0, iat= 867, -1, r1= 1.30, r2= 1.80, r3= 1.42, r4= 1.92, igr2= 882, 883, 884, 886, 887, 888, &end # # 57 VAL HN 57 VAL QQG 0.77 &rst ixpk= 0, nxpk= 0, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 1.04, r4= 1.54, igr2= 882, 883, 884, 886, 887, 888, &end # # 57 VAL HN 58 VAL QQG 6.98 &rst ixpk= 0, nxpk= 0, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 9.41, r4= 9.91, igr2= 898, 899, 900, 902, 903, 904, &end # # 57 VAL HA 58 VAL QQG 1.19 &rst ixpk= 0, nxpk= 0, iat= 878, -1, r1= 1.30, r2= 1.80, r3= 1.60, r4= 2.10, igr2= 898, 899, 900, 902, 903, 904, &end # # 57 VAL QQG 58 VAL HA 0.95 &rst ixpk= 0, nxpk= 0, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 1.28, r4= 1.78, igr1= 882, 883, 884, 886, 887, 888, &end # # 57 VAL QQG 58 VAL HB 7.94 &rst ixpk= 0, nxpk= 0, iat= -1, 896, r1= 1.30, r2= 1.80, r3=10.70, r4=11.20, igr1= 882, 883, 884, 886, 887, 888, &end # # 57 VAL QQG 60 THR HN 1.13 &rst ixpk= 0, nxpk= 0, iat= -1, 918, r1= 1.30, r2= 1.80, r3= 1.52, r4= 2.02, igr1= 882, 883, 884, 886, 887, 888, &end # # 57 VAL QQG 60 THR HB 0.93 &rst ixpk= 0, nxpk= 0, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 1.25, r4= 1.75, igr1= 882, 883, 884, 886, 887, 888, &end # # 57 VAL QQG 60 THR QG2 0.80 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.30, r4= 1.80, igr1= 882, 883, 884, 886, 887, 888, igr2= 924, 925, 926, &end # # 57 VAL QQG 65 ILE HA 0.98 &rst ixpk= 0, nxpk= 0, iat= -1,1002, r1= 1.30, r2= 1.80, r3= 1.32, r4= 1.82, igr1= 882, 883, 884, 886, 887, 888, &end # # 57 VAL QQG 65 ILE QD1 5.65 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65, igr1= 882, 883, 884, 886, 887, 888, igr2=1013,1014,1015, &end # # 58 VAL HN 58 VAL QQG 0.80 &rst ixpk= 0, nxpk= 0, iat= 892, -1, r1= 1.30, r2= 1.80, r3= 1.08, r4= 1.58, igr2= 898, 899, 900, 902, 903, 904, &end # # 58 VAL HA 58 VAL QQG 0.75 &rst ixpk= 0, nxpk= 0, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 1.01, r4= 1.51, igr2= 898, 899, 900, 902, 903, 904, &end # # 58 VAL QQG 59 ALA HA 8.16 &rst ixpk= 0, nxpk= 0, iat= -1, 910, r1= 1.30, r2= 1.80, r3=11.00, r4=11.50, igr1= 898, 899, 900, 902, 903, 904, &end # # 62 HIS HA 66 VAL QQG 1.20 &rst ixpk= 0, nxpk= 0, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 1.62, r4= 2.12, igr2=1025,1026,1027,1029,1030,1031, &end # # 63 GLU HN 66 VAL QQG 1.38 &rst ixpk= 0, nxpk= 0, iat= 963, -1, r1= 1.30, r2= 1.80, r3= 1.86, r4= 2.36, igr2=1025,1026,1027,1029,1030,1031, &end # # 63 GLU HA 66 VAL QQG 0.93 &rst ixpk= 0, nxpk= 0, iat= 965, -1, r1= 1.30, r2= 1.80, r3= 1.25, r4= 1.75, igr2=1025,1026,1027,1029,1030,1031, &end # # 63 GLU QG 66 VAL QQG 1.30 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.97, r4= 2.47, igr1= 970, 971, igr2=1025,1026,1027,1029,1030,1031, &end # # 65 ILE HB 66 VAL QQG 1.00 &rst ixpk= 0, nxpk= 0, iat=1004, -1, r1= 1.30, r2= 1.80, r3= 1.35, r4= 1.85, igr2=1025,1026,1027,1029,1030,1031, &end # # 66 VAL HN 66 VAL QQG 0.99 &rst ixpk= 0, nxpk= 0, iat=1019, -1, r1= 1.30, r2= 1.80, r3= 1.33, r4= 1.83, igr2=1025,1026,1027,1029,1030,1031, &end # # 66 VAL HA 66 VAL QQG 0.75 &rst ixpk= 0, nxpk= 0, iat=1021, -1, r1= 1.30, r2= 1.80, r3= 1.01, r4= 1.51, igr2=1025,1026,1027,1029,1030,1031, &end # # 66 VAL QQG 67 HIS HN 6.27 &rst ixpk= 0, nxpk= 0, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 8.45, r4= 8.95, igr1=1025,1026,1027,1029,1030,1031, &end # # 66 VAL QQG 67 HIS HA 7.03 &rst ixpk= 0, nxpk= 0, iat= -1,1037, r1= 1.30, r2= 1.80, r3= 9.48, r4= 9.98, igr1=1025,1026,1027,1029,1030,1031, &end # # 66 VAL QQG 68 ILE HN 1.38 &rst ixpk= 0, nxpk= 0, iat= -1,1052, r1= 1.30, r2= 1.80, r3= 1.86, r4= 2.36, igr1=1025,1026,1027,1029,1030,1031, &end # # 66 VAL QQG 69 LEU HN 1.30 &rst ixpk= 0, nxpk= 0, iat= -1,1071, r1= 1.30, r2= 1.80, r3= 1.75, r4= 2.25, igr1=1025,1026,1027,1029,1030,1031, &end # # 66 VAL QQG 70 SER HN 6.92 &rst ixpk= 0, nxpk= 0, iat= -1,1090, r1= 1.30, r2= 1.80, r3= 9.33, r4= 9.83, igr1=1025,1026,1027,1029,1030,1031, &end # # 66 VAL QQG 70 SER QB 6.79 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.27, r4=10.77, igr1=1025,1026,1027,1029,1030,1031, igr2=1094,1095, &end # # 72 ALA HA 73 VAL QQG 6.28 &rst ixpk= 0, nxpk= 0, iat=1117, -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97, igr2=1131,1132,1133,1135,1136,1137, &end # # 73 VAL HN 73 VAL QQG 0.89 &rst ixpk= 0, nxpk= 0, iat=1125, -1, r1= 1.30, r2= 1.80, r3= 1.20, r4= 1.70, igr2=1131,1132,1133,1135,1136,1137, &end # # 73 VAL QQG 74 GLY HN 0.83 &rst ixpk= 0, nxpk= 0, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 1.12, r4= 1.62, igr1=1131,1132,1133,1135,1136,1137, &end # # 73 VAL QQG 74 GLY QA 0.98 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 1.48, r4= 1.98, igr1=1131,1132,1133,1135,1136,1137, igr2=1143,1144, &end # # 73 VAL QQG 75 GLU HN 1.30 &rst ixpk= 0, nxpk= 0, iat= -1,1148, r1= 1.30, r2= 1.80, r3= 1.75, r4= 2.25, igr1=1131,1132,1133,1135,1136,1137, &end # 1302 atoms read from pdb file ../PDB/PDB01/prm_1.pdb. # 6 VAL PHI: (5 ASN C)-(6 VAL N)-(6 VAL CA)-(6 VAL C) -145.0 -73.0 &rst iat = 68, 70, 72, 84, r1 = -146.0, r2 = -145.0, r3 = -73.0, r4 = -72.0, rk2 = 32.0, rk3 = 32.0, &end # 6 VAL PSI: (6 VAL N)-(6 VAL CA)-(6 VAL C)-(7 THR N) 103.0 163.0 &rst iat = 70, 72, 84, 86, r1 = 102.0, r2 = 103.0, r3 = 163.0, r4 = 164.0, &end # 7 THR PHI: (6 VAL C)-(7 THR N)-(7 THR CA)-(7 THR C) -159.0 -51.0 &rst iat = 84, 86, 88, 98, r1 = -160.0, r2 = -159.0, r3 = -51.0, r4 = -50.0, &end # 7 THR PSI: (7 THR N)-(7 THR CA)-(7 THR C)-(8 THR N) 106.0 142.0 &rst iat = 86, 88, 98, 100, r1 = 105.0, r2 = 106.0, r3 = 142.0, r4 = 143.0, &end # 8 THR PHI: (7 THR C)-(8 THR N)-(8 THR CA)-(8 THR C) -151.0 -79.0 &rst iat = 98, 100, 102, 112, r1 = -152.0, r2 = -151.0, r3 = -79.0, r4 = -78.0, &end # 8 THR PSI: (8 THR N)-(8 THR CA)-(8 THR C)-(9 VAL N) 84.0 184.0 &rst iat = 100, 102, 112, 114, r1 = 83.0, r2 = 84.0, r3 = 184.0, r4 = 185.0, &end # 9 VAL PHI: (8 THR C)-(9 VAL N)-(9 VAL CA)-(9 VAL C) -141.0 -97.0 &rst iat = 112, 114, 116, 128, r1 = -142.0, r2 = -141.0, r3 = -97.0, r4 = -96.0, &end # 9 VAL PSI: (9 VAL N)-(9 VAL CA)-(9 VAL C)-(10 LEU N) 104.0 152.0 &rst iat = 114, 116, 128, 130, r1 = 103.0, r2 = 104.0, r3 = 152.0, r4 = 153.0, &end # 10 LEU PHI: (9 VAL C)-(10 LEU N)-(10 LEU CA)-(10 LEU C) -137.0 -69.0 &rst iat = 128, 130, 132, 147, r1 = -138.0, r2 = -137.0, r3 = -69.0, r4 = -68.0, &end # 10 LEU PSI: (10 LEU N)-(10 LEU CA)-(10 LEU C)-(11 ILE N) 105.0 153.0 &rst iat = 130, 132, 147, 149, r1 = 104.0, r2 = 105.0, r3 = 153.0, r4 = 154.0, &end # 11 ILE PHI: (10 LEU C)-(11 ILE N)-(11 ILE CA)-(11 ILE C) -140.0 -100.0 &rst iat = 147, 149, 151, 166, r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0, &end # 11 ILE PSI: (11 ILE N)-(11 ILE CA)-(11 ILE C)-(12 ARG N) 106.0 154.0 &rst iat = 149, 151, 166, 168, r1 = 105.0, r2 = 106.0, r3 = 154.0, r4 = 155.0, &end # 12 ARG PHI: (11 ILE C)-(12 ARG N)-(12 ARG CA)-(12 ARG C) -115.0 -63.0 &rst iat = 166, 168, 170, 190, r1 = -116.0, r2 = -115.0, r3 = -63.0, r4 = -62.0, &end # 12 ARG PSI: (12 ARG N)-(12 ARG CA)-(12 ARG C)-(13 ARG N) 104.0 160.0 &rst iat = 168, 170, 190, 192, r1 = 103.0, r2 = 104.0, r3 = 160.0, r4 = 161.0, &end # 13 ARG PHI: (12 ARG C)-(13 ARG N)-(13 ARG CA)-(13 ARG C) -162.0 -54.0 &rst iat = 190, 192, 194, 214, r1 = -163.0, r2 = -162.0, r3 = -54.0, r4 = -53.0, &end # 13 ARG PSI: (13 ARG N)-(13 ARG CA)-(13 ARG C)-(14 PRO N) 76.0 184.0 &rst iat = 192, 194, 214, 216, r1 = 75.0, r2 = 76.0, r3 = 184.0, r4 = 185.0, &end # 17 ARG PHI: (16 LEU C)-(17 ARG N)-(17 ARG CA)-(17 ARG C) -90.0 -46.0 &rst iat = 259, 261, 263, 283, r1 = -91.0, r2 = -90.0, r3 = -46.0, r4 = -45.0, &end # 17 ARG PSI: (17 ARG N)-(17 ARG CA)-(17 ARG C)-(18 TYR N) -53.0 -13.0 &rst iat = 261, 263, 283, 285, r1 = -54.0, r2 = -53.0, r3 = -13.0, r4 = -12.0, &end # 20 LEU PHI: (19 GLN C)-(20 LEU N)-(20 LEU CA)-(20 LEU C) -96.0 -28.0 &rst iat = 321, 323, 325, 340, r1 = -97.0, r2 = -96.0, r3 = -28.0, r4 = -27.0, &end # 20 LEU PSI: (20 LEU N)-(20 LEU CA)-(20 LEU C)-(21 GLY N) -70.0 10.0 &rst iat = 323, 325, 340, 342, r1 = -71.0, r2 = -70.0, r3 = 10.0, r4 = 11.0, &end # 22 PHE PHI: (21 GLY C)-(22 PHE N)-(22 PHE CA)-(22 PHE C) -173.0 -69.0 &rst iat = 347, 349, 351, 367, r1 = -174.0, r2 = -173.0, r3 = -69.0, r4 = -68.0, &end # 22 PHE PSI: (22 PHE N)-(22 PHE CA)-(22 PHE C)-(23 SER N) 149.0 169.0 &rst iat = 349, 351, 367, 369, r1 = 148.0, r2 = 149.0, r3 = 169.0, r4 = 170.0, &end # 23 SER PHI: (22 PHE C)-(23 SER N)-(23 SER CA)-(23 SER C) -153.0 -81.0 &rst iat = 367, 369, 371, 378, r1 = -154.0, r2 = -153.0, r3 = -81.0, r4 = -80.0, &end # 23 SER PSI: (23 SER N)-(23 SER CA)-(23 SER C)-(24 VAL N) 123.0 171.0 &rst iat = 369, 371, 378, 380, r1 = 122.0, r2 = 123.0, r3 = 171.0, r4 = 172.0, &end # 24 VAL PHI: (23 SER C)-(24 VAL N)-(24 VAL CA)-(24 VAL C) -162.0 -94.0 &rst iat = 378, 380, 382, 394, r1 = -163.0, r2 = -162.0, r3 = -94.0, r4 = -93.0, &end # 24 VAL PSI: (24 VAL N)-(24 VAL CA)-(24 VAL C)-(25 GLN N) 114.0 166.0 &rst iat = 380, 382, 394, 396, r1 = 113.0, r2 = 114.0, r3 = 166.0, r4 = 167.0, &end # 25 GLN PHI: (24 VAL C)-(25 GLN N)-(25 GLN CA)-(25 GLN C) -173.0 -41.0 &rst iat = 394, 396, 398, 411, r1 = -174.0, r2 = -173.0, r3 = -41.0, r4 = -40.0, &end # 25 GLN PSI: (25 GLN N)-(25 GLN CA)-(25 GLN C)-(26 ASN N) 93.0 157.0 &rst iat = 396, 398, 411, 413, r1 = 92.0, r2 = 93.0, r3 = 157.0, r4 = 158.0, &end # 29 ILE PHI: (28 ILE C)-(29 ILE N)-(29 ILE CA)-(29 ILE C) -115.0 -55.0 &rst iat = 451, 453, 455, 470, r1 = -116.0, r2 = -115.0, r3 = -55.0, r4 = -54.0, &end # 29 ILE PSI: (29 ILE N)-(29 ILE CA)-(29 ILE C)-(30 CYS N) 108.0 144.0 &rst iat = 453, 455, 470, 472, r1 = 107.0, r2 = 108.0, r3 = 144.0, r4 = 145.0, &end # 32 LEU PHI: (31 SER C)-(32 LEU N)-(32 LEU CA)-(32 LEU C) -172.0 -80.0 &rst iat = 492, 494, 496, 511, r1 = -173.0, r2 = -172.0, r3 = -80.0, r4 = -79.0, &end # 32 LEU PSI: (32 LEU N)-(32 LEU CA)-(32 LEU C)-(33 MET N) 108.0 164.0 &rst iat = 494, 496, 511, 513, r1 = 107.0, r2 = 108.0, r3 = 164.0, r4 = 165.0, &end # 33 MET PHI: (32 LEU C)-(33 MET N)-(33 MET CA)-(33 MET C) -111.0 -63.0 &rst iat = 511, 513, 515, 528, r1 = -112.0, r2 = -111.0, r3 = -63.0, r4 = -62.0, &end # 33 MET PSI: (33 MET N)-(33 MET CA)-(33 MET C)-(34 ARG N) 99.0 155.0 &rst iat = 513, 515, 528, 530, r1 = 98.0, r2 = 99.0, r3 = 155.0, r4 = 156.0, &end # 34 ARG PHI: (33 MET C)-(34 ARG N)-(34 ARG CA)-(34 ARG C) -111.0 -43.0 &rst iat = 528, 530, 532, 552, r1 = -112.0, r2 = -111.0, r3 = -43.0, r4 = -42.0, &end # 34 ARG PSI: (34 ARG N)-(34 ARG CA)-(34 ARG C)-(35 GLY N) 104.0 160.0 &rst iat = 530, 532, 552, 554, r1 = 103.0, r2 = 104.0, r3 = 160.0, r4 = 161.0, &end # 37 ILE PHI: (36 GLY C)-(37 ILE N)-(37 ILE CA)-(37 ILE C) -76.0 -44.0 &rst iat = 566, 568, 570, 585, r1 = -77.0, r2 = -76.0, r3 = -44.0, r4 = -43.0, &end # 37 ILE PSI: (37 ILE N)-(37 ILE CA)-(37 ILE C)-(38 ALA N) -51.0 -31.0 &rst iat = 568, 570, 585, 587, r1 = -52.0, r2 = -51.0, r3 = -31.0, r4 = -30.0, &end # 38 ALA PHI: (37 ILE C)-(38 ALA N)-(38 ALA CA)-(38 ALA C) -75.0 -55.0 &rst iat = 585, 587, 589, 595, r1 = -76.0, r2 = -75.0, r3 = -55.0, r4 = -54.0, &end # 38 ALA PSI: (38 ALA N)-(38 ALA CA)-(38 ALA C)-(39 GLU N) -49.0 -25.0 &rst iat = 587, 589, 595, 597, r1 = -50.0, r2 = -49.0, r3 = -25.0, r4 = -24.0, &end # 39 GLU PHI: (38 ALA C)-(39 GLU N)-(39 GLU CA)-(39 GLU C) -75.0 -55.0 &rst iat = 595, 597, 599, 610, r1 = -76.0, r2 = -75.0, r3 = -55.0, r4 = -54.0, &end # 39 GLU PSI: (39 GLU N)-(39 GLU CA)-(39 GLU C)-(40 ARG N) -55.0 -31.0 &rst iat = 597, 599, 610, 612, r1 = -56.0, r2 = -55.0, r3 = -31.0, r4 = -30.0, &end # 40 ARG PHI: (39 GLU C)-(40 ARG N)-(40 ARG CA)-(40 ARG C) -90.0 -50.0 &rst iat = 610, 612, 614, 634, r1 = -91.0, r2 = -90.0, r3 = -50.0, r4 = -49.0, &end # 40 ARG PSI: (40 ARG N)-(40 ARG CA)-(40 ARG C)-(41 GLY N) -60.0 0.0 &rst iat = 612, 614, 634, 636, r1 = -61.0, r2 = -60.0, r3 = 0.0, r4 = 1.0, &end # 48 ARG PHI: (47 HIE C)-(48 ARG N)-(48 ARG CA)-(48 ARG C) -181.0 -69.0 &rst iat = 728, 730, 732, 752, r1 = -182.0, r2 = -181.0, r3 = -69.0, r4 = -68.0, &end # 48 ARG PSI: (48 ARG N)-(48 ARG CA)-(48 ARG C)-(49 ILE N) 115.0 163.0 &rst iat = 730, 732, 752, 754, r1 = 114.0, r2 = 115.0, r3 = 163.0, r4 = 164.0, &end # 49 ILE PHI: (48 ARG C)-(49 ILE N)-(49 ILE CA)-(49 ILE C) -136.0 -24.0 &rst iat = 752, 754, 756, 771, r1 = -137.0, r2 = -136.0, r3 = -24.0, r4 = -23.0, &end # 49 ILE PSI: (49 ILE N)-(49 ILE CA)-(49 ILE C)-(50 ILE N) 115.0 155.0 &rst iat = 754, 756, 771, 773, r1 = 114.0, r2 = 115.0, r3 = 155.0, r4 = 156.0, &end # 51 GLU PHI: (50 ILE C)-(51 GLU N)-(51 GLU CA)-(51 GLU C) -183.0 -99.0 &rst iat = 790, 792, 794, 805, r1 = -184.0, r2 = -183.0, r3 = -99.0, r4 = -98.0, &end # 51 GLU PSI: (51 GLU N)-(51 GLU CA)-(51 GLU C)-(52 ILE N) 136.0 176.0 &rst iat = 792, 794, 805, 807, r1 = 135.0, r2 = 136.0, r3 = 176.0, r4 = 177.0, &end # 52 ILE PHI: (51 GLU C)-(52 ILE N)-(52 ILE CA)-(52 ILE C) -171.0 -91.0 &rst iat = 805, 807, 809, 824, r1 = -172.0, r2 = -171.0, r3 = -91.0, r4 = -90.0, &end # 52 ILE PSI: (52 ILE N)-(52 ILE CA)-(52 ILE C)-(53 ASN N) 106.0 142.0 &rst iat = 807, 809, 824, 826, r1 = 105.0, r2 = 106.0, r3 = 142.0, r4 = 143.0, &end # 55 GLN PHI: (54 GLY C)-(55 GLN N)-(55 GLN CA)-(55 GLN C) -149.0 -57.0 &rst iat = 845, 847, 849, 862, r1 = -150.0, r2 = -149.0, r3 = -57.0, r4 = -56.0, &end # 55 GLN PSI: (55 GLN N)-(55 GLN CA)-(55 GLN C)-(56 SER N) 96.0 180.0 &rst iat = 847, 849, 862, 864, r1 = 95.0, r2 = 96.0, r3 = 180.0, r4 = 181.0, &end # 56 SER PHI: (55 GLN C)-(56 SER N)-(56 SER CA)-(56 SER C) -117.0 -45.0 &rst iat = 862, 864, 866, 873, r1 = -118.0, r2 = -117.0, r3 = -45.0, r4 = -44.0, &end # 56 SER PSI: (56 SER N)-(56 SER CA)-(56 SER C)-(57 VAL N) 109.0 145.0 &rst iat = 864, 866, 873, 875, r1 = 108.0, r2 = 109.0, r3 = 145.0, r4 = 146.0, &end # 58 VAL PHI: (57 VAL C)-(58 VAL N)-(58 VAL CA)-(58 VAL C) -79.0 -51.0 &rst iat = 889, 891, 893, 905, r1 = -80.0, r2 = -79.0, r3 = -51.0, r4 = -50.0, &end # 58 VAL PSI: (58 VAL N)-(58 VAL CA)-(58 VAL C)-(59 ALA N) -44.0 4.0 &rst iat = 891, 893, 905, 907, r1 = -45.0, r2 = -44.0, r3 = 4.0, r4 = 5.0, &end # 60 THR PHI: (59 ALA C)-(60 THR N)-(60 THR CA)-(60 THR C) -156.0 -48.0 &rst iat = 915, 917, 919, 929, r1 = -157.0, r2 = -156.0, r3 = -48.0, r4 = -47.0, &end # 60 THR PSI: (60 THR N)-(60 THR CA)-(60 THR C)-(61 PRO N) 95.0 155.0 &rst iat = 917, 919, 929, 931, r1 = 94.0, r2 = 95.0, r3 = 155.0, r4 = 156.0, &end # 62 HID PHI: (61 PRO C)-(62 HIE N)-(62 HIE CA)-(62 HIE C) -63.0 -43.0 &rst iat = 943, 945, 947, 960, r1 = -64.0, r2 = -63.0, r3 = -43.0, r4 = -42.0, &end # 62 HID PSI: (62 HIE N)-(62 HIE CA)-(62 HIE C)-(63 GLU N) -67.0 -31.0 &rst iat = 945, 947, 960, 962, r1 = -68.0, r2 = -67.0, r3 = -31.0, r4 = -30.0, &end # 63 GLU PHI: (62 HIE C)-(63 GLU N)-(63 GLU CA)-(63 GLU C) -68.0 -48.0 &rst iat = 960, 962, 964, 975, r1 = -69.0, r2 = -68.0, r3 = -48.0, r4 = -47.0, &end # 63 GLU PSI: (63 GLU N)-(63 GLU CA)-(63 GLU C)-(64 LYS N) -52.0 -32.0 &rst iat = 962, 964, 975, 977, r1 = -53.0, r2 = -52.0, r3 = -32.0, r4 = -31.0, &end # 64 LYS PHI: (63 GLU C)-(64 LYS N)-(64 LYS CA)-(64 LYS C) -74.0 -54.0 &rst iat = 975, 977, 979, 997, r1 = -75.0, r2 = -74.0, r3 = -54.0, r4 = -53.0, &end # 64 LYS PSI: (64 LYS N)-(64 LYS CA)-(64 LYS C)-(65 ILE N) -54.0 -30.0 &rst iat = 977, 979, 997, 999, r1 = -55.0, r2 = -54.0, r3 = -30.0, r4 = -29.0, &end # 65 ILE PHI: (64 LYS C)-(65 ILE N)-(65 ILE CA)-(65 ILE C) -75.0 -51.0 &rst iat = 997, 999, 1001, 1016, r1 = -76.0, r2 = -75.0, r3 = -51.0, r4 = -50.0, &end # 65 ILE PSI: (65 ILE N)-(65 ILE CA)-(65 ILE C)-(66 VAL N) -56.0 -36.0 &rst iat = 999, 1001, 1016, 1018, r1 = -57.0, r2 = -56.0, r3 = -36.0, r4 = -35.0, &end # 66 VAL PHI: (65 ILE C)-(66 VAL N)-(66 VAL CA)-(66 VAL C) -75.0 -55.0 &rst iat = 1016, 1018, 1020, 1032, r1 = -76.0, r2 = -75.0, r3 = -55.0, r4 = -54.0, &end # 66 VAL PSI: (66 VAL N)-(66 VAL CA)-(66 VAL C)-(67 HIE N) -56.0 -32.0 &rst iat = 1018, 1020, 1032, 1034, r1 = -57.0, r2 = -56.0, r3 = -32.0, r4 = -31.0, &end # 67 HID PHI: (66 VAL C)-(67 HIE N)-(67 HIE CA)-(67 HIE C) -74.0 -54.0 &rst iat = 1032, 1034, 1036, 1049, r1 = -75.0, r2 = -74.0, r3 = -54.0, r4 = -53.0, &end # 67 HID PSI: (67 HIE N)-(67 HIE CA)-(67 HIE C)-(68 ILE N) -57.0 -33.0 &rst iat = 1034, 1036, 1049, 1051, r1 = -58.0, r2 = -57.0, r3 = -33.0, r4 = -32.0, &end # 68 ILE PHI: (67 HIE C)-(68 ILE N)-(68 ILE CA)-(68 ILE C) -72.0 -52.0 &rst iat = 1049, 1051, 1053, 1068, r1 = -73.0, r2 = -72.0, r3 = -52.0, r4 = -51.0, &end # 68 ILE PSI: (68 ILE N)-(68 ILE CA)-(68 ILE C)-(69 LEU N) -60.0 -28.0 &rst iat = 1051, 1053, 1068, 1070, r1 = -61.0, r2 = -60.0, r3 = -28.0, r4 = -27.0, &end # 69 LEU PHI: (68 ILE C)-(69 LEU N)-(69 LEU CA)-(69 LEU C) -69.0 -45.0 &rst iat = 1068, 1070, 1072, 1087, r1 = -70.0, r2 = -69.0, r3 = -45.0, r4 = -44.0, &end # 69 LEU PSI: (69 LEU N)-(69 LEU CA)-(69 LEU C)-(70 SER N) -58.0 -30.0 &rst iat = 1070, 1072, 1087, 1089, r1 = -59.0, r2 = -58.0, r3 = -30.0, r4 = -29.0, &end # 70 SER PHI: (69 LEU C)-(70 SER N)-(70 SER CA)-(70 SER C) -82.0 -50.0 &rst iat = 1087, 1089, 1091, 1098, r1 = -83.0, r2 = -82.0, r3 = -50.0, r4 = -49.0, &end # 70 SER PSI: (70 SER N)-(70 SER CA)-(70 SER C)-(71 ASN N) -48.0 -28.0 &rst iat = 1089, 1091, 1098, 1100, r1 = -49.0, r2 = -48.0, r3 = -28.0, r4 = -27.0, &end # 73 VAL PHI: (72 ALA C)-(73 VAL N)-(73 VAL CA)-(73 VAL C) -150.0 -86.0 &rst iat = 1122, 1124, 1126, 1138, r1 = -151.0, r2 = -150.0, r3 = -86.0, r4 = -85.0, &end # 73 VAL PSI: (73 VAL N)-(73 VAL CA)-(73 VAL C)-(74 GLY N) 115.0 187.0 &rst iat = 1124, 1126, 1138, 1140, r1 = 114.0, r2 = 115.0, r3 = 187.0, r4 = 188.0, &end # 75 GLU PHI: (74 GLY C)-(75 GLU N)-(75 GLU CA)-(75 GLU C) -157.0 -25.0 &rst iat = 1145, 1147, 1149, 1160, r1 = -158.0, r2 = -157.0, r3 = -25.0, r4 = -24.0, &end # 75 GLU PSI: (75 GLU N)-(75 GLU CA)-(75 GLU C)-(76 ILE N) 109.0 153.0 &rst iat = 1147, 1149, 1160, 1162, r1 = 108.0, r2 = 109.0, r3 = 153.0, r4 = 154.0, &end # 76 ILE PHI: (75 GLU C)-(76 ILE N)-(76 ILE CA)-(76 ILE C) -126.0 -74.0 &rst iat = 1160, 1162, 1164, 1179, r1 = -127.0, r2 = -126.0, r3 = -74.0, r4 = -73.0, &end # 76 ILE PSI: (76 ILE N)-(76 ILE CA)-(76 ILE C)-(77 HIE N) 119.0 143.0 &rst iat = 1162, 1164, 1179, 1181, r1 = 118.0, r2 = 119.0, r3 = 143.0, r4 = 144.0, &end # 77 HID PHI: (76 ILE C)-(77 HIE N)-(77 HIE CA)-(77 HIE C) -157.0 -77.0 &rst iat = 1179, 1181, 1183, 1196, r1 = -158.0, r2 = -157.0, r3 = -77.0, r4 = -76.0, &end # 77 HID PSI: (77 HIE N)-(77 HIE CA)-(77 HIE C)-(78 MET N) 112.0 160.0 &rst iat = 1181, 1183, 1196, 1198, r1 = 111.0, r2 = 112.0, r3 = 160.0, r4 = 161.0, &end # 78 MET PHI: (77 HIE C)-(78 MET N)-(78 MET CA)-(78 MET C) -156.0 -108.0 &rst iat = 1196, 1198, 1200, 1213, r1 = -157.0, r2 = -156.0, r3 = -108.0, r4 = -107.0, &end # 78 MET PSI: (78 MET N)-(78 MET CA)-(78 MET C)-(79 LYS N) 115.0 183.0 &rst iat = 1198, 1200, 1213, 1215, r1 = 114.0, r2 = 115.0, r3 = 183.0, r4 = 184.0, &end # 79 LYS PHI: (78 MET C)-(79 LYS N)-(79 LYS CA)-(79 LYS C) -158.0 -110.0 &rst iat = 1213, 1215, 1217, 1235, r1 = -159.0, r2 = -158.0, r3 = -110.0, r4 = -109.0, &end # 79 LYS PSI: (79 LYS N)-(79 LYS CA)-(79 LYS C)-(80 THR N) 105.0 173.0 &rst iat = 1215, 1217, 1235, 1237, r1 = 104.0, r2 = 105.0, r3 = 173.0, r4 = 174.0, &end # 80 THR PHI: (79 LYS C)-(80 THR N)-(80 THR CA)-(80 THR C) -140.0 -104.0 &rst iat = 1235, 1237, 1239, 1249, r1 = -141.0, r2 = -140.0, r3 = -104.0, r4 = -103.0, &end # 80 THR PSI: (80 THR N)-(80 THR CA)-(80 THR C)-(81 MET N) 109.0 169.0 &rst iat = 1237, 1239, 1249, 1251, r1 = 108.0, r2 = 109.0, r3 = 169.0, r4 = 170.0, &end # 81 MET PHI: (80 THR C)-(81 MET N)-(81 MET CA)-(81 MET C) -168.0 -100.0 &rst iat = 1249, 1251, 1253, 1266, r1 = -169.0, r2 = -168.0, r3 = -100.0, r4 = -99.0, &end # 81 MET PSI: (81 MET N)-(81 MET CA)-(81 MET C)-(82 PRO N) 98.0 190.0 &rst iat = 1251, 1253, 1266, 1268, r1 = 97.0, r2 = 98.0, r3 = 190.0, r4 = 191.0, &end # 44 ARG PHI: (43 VAL C)-(44 ARG N)-(44 ARG CA)-(44 ARG C) -180.0 0.0 &rst iat = 664, 666, 668, 688, r1 = -181.0, r2 = -180.0, r3 = 0.0, r4 = 1.0, &end