NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
526039 | 2lec | 17707 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
# # 34 PHE QD 37 TYR QE 4.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, rk2=50, rk3=50, ir6=1, ialtd=0, igr1= 535, 543, igr2= 594, 599, &end # # 31 ARG HA 34 PHE QD 5.26 &rst ixpk= 0, nxpk= 0, iat= 465, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, igr2= 535, 543, &end # # 34 PHE QD 40 VAL QQG 4.30 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, igr1= 535, 543, igr2= 642, 643, 644, 646, 647, 648, &end # # 34 PHE QD 62 PHE HZ 4.27 &rst ixpk= 0, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, igr1= 535, 543, &end # # 37 TYR QE 62 PHE HZ 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 594, 599, &end # # 40 VAL QQG 62 PHE HZ 4.65 &rst ixpk= 0, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, igr1= 642, 643, 644, 646, 647, 648, &end # # 60 VAL QQG 62 PHE HZ 4.47 &rst ixpk= 0, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr1= 971, 972, 973, 975, 976, 977, &end # # 34 PHE HB3 62 PHE HZ 4.86 &rst ixpk= 0, nxpk= 0, iat= 532,1017, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end # # 37 TYR HB2 62 PHE HZ 5.17 &rst ixpk= 0, nxpk= 0, iat= 588,1017, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end # # 62 PHE HZ 71 ALA QB 4.14 &rst ixpk= 0, nxpk= 0, iat=1017, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr2=1153,1154,1155, &end # # 34 PHE QD 37 TYR QD 4.71 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, igr1= 535, 543, igr2= 592, 601, &end # # 34 PHE HB3 37 TYR QD 4.82 &rst ixpk= 0, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, igr2= 592, 601, &end # # 37 TYR QD 70 ASP QB 4.21 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 592, 601, igr2=1141,1142, &end # # 37 TYR QD 75 MET QB 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 592, 601, igr2=1202,1203, &end # # 36 LYS QD 37 TYR QD 5.26 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13, igr1= 572, 573, igr2= 592, 601, &end # # 37 TYR QD 75 MET QE 5.49 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90, igr1= 592, 601, igr2=1209,1210,1211, &end # # 36 LYS HB3 37 TYR QD 4.98 &rst ixpk= 0, nxpk= 0, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, igr2= 592, 601, &end # # 36 LYS QG 37 TYR QD 3.75 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 569, 570, igr2= 592, 601, &end # # 33 VAL HA 37 TYR QD 5.50 &rst ixpk= 0, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 592, 601, &end # # 36 LYS QG 37 TYR QD 4.69 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, igr1= 569, 570, igr2= 592, 601, &end # # 37 TYR QD 40 VAL QQG 5.15 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29, igr1= 592, 601, igr2= 642, 643, 644, 646, 647, 648, &end # # 100 HIS QB 100 HIS HD2 3.95 &rst ixpk= 0, nxpk= 0, iat= -1,1597, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, igr1=1588,1589, &end # # 34 PHE QD 62 PHE QD 5.07 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89, igr1= 535, 543, igr2=1013,1021, &end # # 62 PHE QD 67 ASP HA 5.35 &rst ixpk= 0, nxpk= 0, iat= -1,1102, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, igr1=1013,1021, &end # # 62 PHE QD 67 ASP QB 4.04 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, igr1=1013,1021, igr2=1104,1105, &end # # 62 PHE QD 68 ALA HA 4.42 &rst ixpk= 0, nxpk= 0, iat= -1,1114, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, igr1=1013,1021, &end # # 39 ARG QB 62 PHE QD 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 616, 617, igr2=1013,1021, &end # # 16 LEU QB 62 PHE QD 5.15 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1= 222, 223, igr2=1013,1021, &end # # 40 VAL QQG 62 PHE QD 4.29 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1= 642, 643, 644, 646, 647, 648, igr2=1013,1021, &end # # 60 VAL QQG 62 PHE QD 4.21 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87, igr1= 971, 972, 973, 975, 976, 977, igr2=1013,1021, &end # # 3 TYR QD 4 GLY QA 5.41 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32, igr1= 40, 49, igr2= 55, 56, &end # # 34 PHE QD 62 PHE QE 4.39 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1= 535, 543, igr2=1015,1019, &end # # 34 PHE HA 62 PHE QE 5.17 &rst ixpk= 0, nxpk= 0, iat= 529, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr2=1015,1019, &end # # 40 VAL QQG 62 PHE QE 4.02 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, igr1= 642, 643, 644, 646, 647, 648, igr2=1015,1019, &end # # 34 PHE HB2 62 PHE QE 3.78 &rst ixpk= 0, nxpk= 0, iat= 531, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr2=1015,1019, &end # # 34 PHE QE 62 PHE HZ 5.10 &rst ixpk= 0, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, igr1= 537, 541, &end # # 34 PHE HZ 76 ASP HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 539,1217, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 17 LYS HA 59 PHE QD 5.34 &rst ixpk= 0, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2= 953, 961, &end # # 17 LYS HA 59 PHE HZ 5.50 &rst ixpk= 0, nxpk= 0, iat= 239, 957, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 39 ARG HA 63 HIS HD2 5.14 &rst ixpk= 0, nxpk= 0, iat= 614,1038, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end # # 62 PHE HB2 63 HIS HD2 5.50 &rst ixpk= 0, nxpk= 0, iat=1009,1038, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 63 HIS HD2 64 ASP HB3 5.50 &rst ixpk= 0, nxpk= 0, iat=1038,1047, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 39 ARG QB 63 HIS HD2 3.75 &rst ixpk= 0, nxpk= 0, iat= -1,1038, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, igr1= 616, 617, &end # # 39 ARG QG 63 HIS HD2 3.88 &rst ixpk= 0, nxpk= 0, iat= -1,1038, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, igr1= 619, 620, &end # # 23 TYR QE 24 ARG HA 5.28 &rst ixpk= 0, nxpk= 0, iat= -1, 357, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, igr1= 344, 349, &end # # 2 SER HA 3 TYR QE 5.50 &rst ixpk= 0, nxpk= 0, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 42, 47, &end # # 44 TYR QD 46 PRO QD 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 695, 704, igr2= 728, 729, &end # # 36 LYS QG 37 TYR QE 4.40 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr1= 569, 570, igr2= 594, 599, &end # # 34 PHE HA 37 TYR QE 3.78 &rst ixpk= 0, nxpk= 0, iat= 529, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr2= 594, 599, &end # # 37 TYR QE 74 ALA HA 5.08 &rst ixpk= 0, nxpk= 0, iat= -1,1190, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr1= 594, 599, &end # # 37 TYR QE 70 ASP QB 5.41 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32, igr1= 594, 599, igr2=1141,1142, &end # # 37 TYR QE 71 ALA HA 3.78 &rst ixpk= 0, nxpk= 0, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1= 594, 599, &end # # 37 TYR QE 75 MET QB 4.20 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, igr1= 594, 599, igr2=1202,1203, &end # # 37 TYR QE 75 MET QE 3.90 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, igr1= 594, 599, igr2=1209,1210,1211, &end # # 37 TYR QE 71 ALA QB 4.11 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr1= 594, 599, igr2=1153,1154,1155, &end # # 37 TYR QE 74 ALA QB 3.09 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, igr1= 594, 599, igr2=1192,1193,1194, &end # # 44 TYR QE 46 PRO QG 5.14 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98, igr1= 697, 702, igr2= 731, 732, &end # # 44 TYR QE 46 PRO HA 5.40 &rst ixpk= 0, nxpk= 0, iat= -1, 737, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, igr1= 697, 702, &end # # 21 LEU HB2 57 PHE QD 5.50 &rst ixpk= 0, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 923, 931, &end # # 21 LEU QQD 57 PHE QD 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 310, 311, 312, 314, 315, 316, igr2= 923, 931, &end # # 45 ILE QD1 57 PHE QD 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 721, 722, 723, igr2= 923, 931, &end # # 19 ASP HA 57 PHE QD 4.67 &rst ixpk= 0, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, igr2= 923, 931, &end # # 17 LYS QB 59 PHE HA 5.23 &rst ixpk= 0, nxpk= 0, iat= -1, 947, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, igr1= 241, 242, &end # # 19 ASP QB 57 PHE HA 4.91 &rst ixpk= 0, nxpk= 0, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, igr1= 279, 280, &end # # 19 ASP QB 57 PHE HA 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 279, 280, &end # # 18 VAL QQG 57 PHE HA 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 265, 266, 267, 269, 270, 271, &end # # 21 LEU QQD 57 PHE HA 4.47 &rst ixpk= 0, nxpk= 0, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr1= 310, 311, 312, 314, 315, 316, &end # # 45 ILE QG2 57 PHE HA 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 714, 715, 716, &end # # 19 ASP HA 57 PHE HB2 4.47 &rst ixpk= 0, nxpk= 0, iat= 277, 919, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end # # 19 ASP HA 21 LEU QQD 4.47 &rst ixpk= 0, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr2= 310, 311, 312, 314, 315, 316, &end # # 19 ASP HA 21 LEU QQD 5.29 &rst ixpk= 0, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63, igr2= 310, 311, 312, 314, 315, 316, &end # # 35 GLU HA 35 GLU QG 3.39 &rst ixpk= 0, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, igr2= 554, 555, &end # # 16 LEU HA 62 PHE QD 5.50 &rst ixpk= 0, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1013,1021, &end # # 35 GLU HA 40 VAL HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 549, 638, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 15 SER HA 62 PHE HB3 5.50 &rst ixpk= 0, nxpk= 0, iat= 209,1010, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 35 GLU HA 62 PHE QE 4.71 &rst ixpk= 0, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, igr2=1015,1019, &end # # 15 SER HA 61 ARG HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 209, 983, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 16 LEU HA 61 ARG HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 220, 983, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 63 HIS HB3 64 ASP HA 5.50 &rst ixpk= 0, nxpk= 0, iat=1030,1044, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 16 LEU HA 68 ALA QB 5.05 &rst ixpk= 0, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, igr2=1116,1117,1118, &end # # 88 GLN HA 88 GLN QE2 5.07 &rst ixpk= 0, nxpk= 0, iat=1398, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, igr2=1408,1409, &end # # 72 MET HA 87 VAL HA 5.50 &rst ixpk= 0, nxpk= 0, iat=1161,1382, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 72 MET HA 88 GLN HA 5.50 &rst ixpk= 0, nxpk= 0, iat=1161,1398, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 86 ARG HB2 87 VAL HA 5.37 &rst ixpk= 0, nxpk= 0, iat=1360,1382, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end # # 62 PHE HA 62 PHE QD 3.96 &rst ixpk= 0, nxpk= 0, iat=1007, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, igr2=1013,1021, &end # # 62 PHE HA 62 PHE QE 4.79 &rst ixpk= 0, nxpk= 0, iat=1007, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr2=1015,1019, &end # # 40 VAL HA 62 PHE HA 3.85 &rst ixpk= 0, nxpk= 0, iat= 638,1007, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end # # 40 VAL QQG 62 PHE HA 4.63 &rst ixpk= 0, nxpk= 0, iat= -1,1007, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74, igr1= 642, 643, 644, 646, 647, 648, &end # # 17 LYS HA 59 PHE HA 4.79 &rst ixpk= 0, nxpk= 0, iat= 239, 947, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end # # 62 PHE HA 63 HIS HB3 5.50 &rst ixpk= 0, nxpk= 0, iat=1007,1030, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 18 VAL HA 87 VAL HA 4.08 &rst ixpk= 0, nxpk= 0, iat= 261,1382, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end # # 57 PHE QE 58 ALA HA 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 937, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 925, 929, &end # # 37 TYR QE 75 MET HA 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1200, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 594, 599, &end # # 58 ALA HA 59 PHE QB 5.50 &rst ixpk= 0, nxpk= 0, iat= 937, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 949, 950, &end # # 18 VAL HA 87 VAL HB 4.61 &rst ixpk= 0, nxpk= 0, iat= 261,1384, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end # # 43 VAL HA 60 VAL HA 3.58 &rst ixpk= 0, nxpk= 0, iat= 673, 967, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end # # 43 VAL HA 60 VAL QQG 4.09 &rst ixpk= 0, nxpk= 0, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, igr2= 971, 972, 973, 975, 976, 977, &end # # 38 GLY QA 39 ARG QG 4.40 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr1= 607, 608, igr2= 619, 620, &end # # 38 GLY QA 62 PHE QD 5.48 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, igr1= 607, 608, igr2=1013,1021, &end # # 49 ARG HA 50 TYR HA 4.92 &rst ixpk= 0, nxpk= 0, iat= 779, 803, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end # # 10 VAL HA 13 MET HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 140, 178, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 50 TYR HA 51 THR HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 803, 824, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 85 LEU HA 85 LEU QQD 3.50 &rst ixpk= 0, nxpk= 0, iat=1339, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2=1346,1347,1348,1350,1351,1352, &end # # 14 THR HA 63 HIS HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 195,1027, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 83 ARG HA 83 ARG QG 3.42 &rst ixpk= 0, nxpk= 0, iat=1300, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, igr2=1305,1306, &end # # 34 PHE HA 34 PHE QE 5.50 &rst ixpk= 0, nxpk= 0, iat= 529, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 537, 541, &end # # 20 ASN HA 83 ARG QD 5.50 &rst ixpk= 0, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1308,1309, &end # # 97 ASP HA 98 SER HA 5.50 &rst ixpk= 0, nxpk= 0, iat=1546,1558, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 76 ASP HA 85 LEU HA 4.87 &rst ixpk= 0, nxpk= 0, iat=1217,1339, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end # # 26 SER QB 27 PRO HD2 2.88 &rst ixpk= 0, nxpk= 0, iat= -1, 405, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, igr1= 397, 398, &end # # 76 ASP HA 85 LEU QB 3.63 &rst ixpk= 0, nxpk= 0, iat=1217, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, igr2=1341,1342, &end # # 48 ASP HA 50 TYR QE 4.81 &rst ixpk= 0, nxpk= 0, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 811, 816, &end # # 55 ARG HA 55 ARG QG 3.57 &rst ixpk= 0, nxpk= 0, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, igr2= 891, 892, &end # # 21 LEU HA 30 LEU QQD 4.50 &rst ixpk= 0, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2= 453, 454, 455, 457, 458, 459, &end # # 20 ASN HD21 84 GLU HA 4.76 &rst ixpk= 0, nxpk= 0, iat= 297,1324, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end # # 23 TYR QD 24 ARG HA 4.20 &rst ixpk= 0, nxpk= 0, iat= -1, 357, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, igr1= 342, 351, &end # # 73 ASP HA 76 ASP HB3 5.21 &rst ixpk= 0, nxpk= 0, iat=1178,1220, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end # # 44 TYR QE 45 ILE HA 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 710, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 697, 702, &end # # 50 TYR QE 51 THR HA 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 824, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 811, 816, &end # # 6 PRO HA 7 PRO QG 4.06 &rst ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, igr2= 102, 103, &end # # 51 THR HA 52 LYS QG 4.43 &rst ixpk= 0, nxpk= 0, iat= 824, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr2= 843, 844, &end # # 6 PRO HA 7 PRO QB 5.46 &rst ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63, igr2= 105, 106, &end # # 45 ILE HA 46 PRO QD 3.34 &rst ixpk= 0, nxpk= 0, iat= 710, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, igr2= 728, 729, &end # # 62 PHE QE 67 ASP HA 5.37 &rst ixpk= 0, nxpk= 0, iat= -1,1102, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr1=1015,1019, &end # # 74 ALA HA 75 MET HA 4.66 &rst ixpk= 0, nxpk= 0, iat=1190,1200, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end # # 73 ASP QB 74 ALA HA 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1190, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1180,1181, &end # # 30 LEU HA 34 PHE HB2 4.90 &rst ixpk= 0, nxpk= 0, iat= 446, 531, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 30 LEU HA 31 ARG HA 5.15 &rst ixpk= 0, nxpk= 0, iat= 446, 465, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end # # 31 ARG HA 32 ARG HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 465, 489, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 32 ARG HA 32 ARG QD 4.37 &rst ixpk= 0, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, igr2= 497, 498, &end # # 66 ARG HA 69 GLU HG2 3.97 &rst ixpk= 0, nxpk= 0, iat=1078,1129, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end # # 32 ARG HA 35 GLU HB2 3.86 &rst ixpk= 0, nxpk= 0, iat= 489, 551, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end # # 66 ARG HA 69 GLU HG3 4.22 &rst ixpk= 0, nxpk= 0, iat=1078,1130, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end # # 32 ARG HA 32 ARG QB 2.91 &rst ixpk= 0, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, igr2= 491, 492, &end # # 30 LEU HA 33 VAL QQG 3.45 &rst ixpk= 0, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr2= 517, 518, 519, 521, 522, 523, &end # # 15 SER QB 59 PHE HZ 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 211, 212, &end # # 32 ARG HA 35 GLU HB3 3.74 &rst ixpk= 0, nxpk= 0, iat= 489, 552, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end # # 21 LEU HA 25 THR HB 3.71 &rst ixpk= 0, nxpk= 0, iat= 303, 383, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end # # 26 SER QB 27 PRO HD3 4.05 &rst ixpk= 0, nxpk= 0, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, igr1= 397, 398, &end # # 81 ASP QB 82 GLY HA3 4.61 &rst ixpk= 0, nxpk= 0, iat= -1,1294, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, igr1=1283,1284, &end # # 27 PRO HA 30 LEU HB3 3.88 &rst ixpk= 0, nxpk= 0, iat= 414, 449, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end # # 27 PRO HA 30 LEU HB2 3.46 &rst ixpk= 0, nxpk= 0, iat= 414, 448, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end # # 25 THR HB 30 LEU QQD 3.94 &rst ixpk= 0, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, igr2= 453, 454, 455, 457, 458, 459, &end # # 21 LEU QQD 25 THR HB 3.77 &rst ixpk= 0, nxpk= 0, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr1= 310, 311, 312, 314, 315, 316, &end # # 3 TYR QB 4 GLY QA 4.94 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72, igr1= 36, 37, igr2= 55, 56, &end # # 26 SER QB 28 ASP QB 5.47 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39, igr1= 397, 398, igr2= 422, 423, &end # # 44 TYR QD 46 PRO HA 5.20 &rst ixpk= 0, nxpk= 0, iat= -1, 737, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr1= 695, 704, &end # # 33 VAL HA 37 TYR QE 4.71 &rst ixpk= 0, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, igr2= 594, 599, &end # # 33 VAL HA 34 PHE QD 5.48 &rst ixpk= 0, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, igr2= 535, 543, &end # # 64 ASP HB3 65 LYS HA 5.50 &rst ixpk= 0, nxpk= 0, iat=1047,1056, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 14 THR HB 65 LYS QE 5.22 &rst ixpk= 0, nxpk= 0, iat= 197, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, igr2=1067,1068, &end # # 27 PRO HD2 45 ILE QG2 5.50 &rst ixpk= 0, nxpk= 0, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 714, 715, 716, &end # # 16 LEU QQD 62 PHE HB3 4.96 &rst ixpk= 0, nxpk= 0, iat= -1,1010, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19, igr1= 227, 228, 229, 231, 232, 233, &end # # 34 PHE QE 72 MET HA 4.58 &rst ixpk= 0, nxpk= 0, iat= -1,1161, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr1= 537, 541, &end # # 31 ARG HA 31 ARG QD 4.27 &rst ixpk= 0, nxpk= 0, iat= 465, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, igr2= 473, 474, &end # # 72 MET HA 76 ASP HB2 5.24 &rst ixpk= 0, nxpk= 0, iat=1161,1219, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end # # 30 LEU HB3 31 ARG HA 4.74 &rst ixpk= 0, nxpk= 0, iat= 449, 465, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end # # 20 ASN HB3 85 LEU QQD 5.30 &rst ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64, igr2=1346,1347,1348,1350,1351,1352, &end # # 82 GLY HA2 83 ARG HA 4.70 &rst ixpk= 0, nxpk= 0, iat=1293,1300, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 37 TYR HB3 62 PHE HZ 5.50 &rst ixpk= 0, nxpk= 0, iat= 589,1017, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 36 LYS QG 37 TYR HB3 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 589, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 569, 570, &end # # 37 TYR HB3 74 ALA QB 5.50 &rst ixpk= 0, nxpk= 0, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1192,1193,1194, &end # # 31 ARG QB 31 ARG QD 4.22 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, igr1= 467, 468, igr2= 473, 474, &end # # 8 PRO QD 10 VAL QQG 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 113, 114, igr2= 144, 145, 146, 148, 149, 150, &end # # 7 PRO QB 8 PRO QD 4.05 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, igr1= 105, 106, igr2= 113, 114, &end # # 31 ARG QD 35 GLU HA 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 473, 474, &end # # 34 PHE HB3 35 GLU HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 532, 549, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 31 ARG QD 43 VAL QQG 3.77 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr1= 473, 474, igr2= 677, 678, 679, 681, 682, 683, &end # # 18 VAL QQG 34 PHE HB3 5.09 &rst ixpk= 0, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36, igr1= 265, 266, 267, 269, 270, 271, &end # # 76 ASP HB3 86 ARG HA 5.49 &rst ixpk= 0, nxpk= 0, iat=1220,1358, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end # # 83 ARG HA 83 ARG QD 4.21 &rst ixpk= 0, nxpk= 0, iat=1300, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr2=1308,1309, &end # # 65 LYS QE 69 GLU HA 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1124, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1067,1068, &end # # 39 ARG QG 64 ASP HB2 4.20 &rst ixpk= 0, nxpk= 0, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, igr1= 619, 620, &end # # 21 LEU QQD 57 PHE HB2 3.85 &rst ixpk= 0, nxpk= 0, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr1= 310, 311, 312, 314, 315, 316, &end # # 21 LEU QQD 57 PHE HB2 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 310, 311, 312, 314, 315, 316, &end # # 20 ASN HB2 86 ARG QD 4.71 &rst ixpk= 0, nxpk= 0, iat= 291, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, igr2=1366,1367, &end # # 34 PHE QD 37 TYR HB2 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 535, 543, &end # # 34 PHE QE 71 ALA HA 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 537, 541, &end # # 34 PHE QE 76 ASP HB2 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1219, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 537, 541, &end # # 34 PHE HZ 76 ASP HB2 5.50 &rst ixpk= 0, nxpk= 0, iat= 539,1219, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 71 ALA HA 74 ALA HA 5.50 &rst ixpk= 0, nxpk= 0, iat=1151,1190, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 76 ASP HB2 85 LEU QQD 5.39 &rst ixpk= 0, nxpk= 0, iat=1219, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77, igr2=1346,1347,1348,1350,1351,1352, &end # # 14 THR HB 62 PHE HB2 5.43 &rst ixpk= 0, nxpk= 0, iat= 197,1009, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end # # 27 PRO HD2 28 ASP QB 5.50 &rst ixpk= 0, nxpk= 0, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 422, 423, &end # # 40 VAL HA 62 PHE HB2 5.50 &rst ixpk= 0, nxpk= 0, iat= 638,1009, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 32 ARG HA 35 GLU QG 5.10 &rst ixpk= 0, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, igr2= 554, 555, &end # # 89 MET HG2 89 MET QE 3.12 &rst ixpk= 0, nxpk= 0, iat=1420, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, igr2=1424,1425,1426, &end # # 51 THR HB 53 GLU QG 3.30 &rst ixpk= 0, nxpk= 0, iat= 826, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, igr2= 865, 866, &end # # 32 ARG QG 33 VAL HB 4.33 &rst ixpk= 0, nxpk= 0, iat= -1, 515, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, igr1= 494, 495, &end # # 72 MET QE 87 VAL QQG 3.54 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, igr1=1170,1171,1172, igr2=1386,1387,1388,1390,1391,1392, &end # # 16 LEU QQD 72 MET QE 3.20 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, igr1= 227, 228, 229, 231, 232, 233, igr2=1170,1171,1172, &end # # 85 LEU QB 85 LEU QQD 3.78 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, igr1=1341,1342, igr2=1346,1347,1348,1350,1351,1352, &end # # 52 LYS QB 52 LYS QE 3.90 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, igr1= 840, 841, igr2= 849, 850, &end # # 72 MET QE 89 MET QE 2.81 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, igr1=1170,1171,1172, igr2=1424,1425,1426, &end # # 69 GLU HA 72 MET QE 2.52 &rst ixpk= 0, nxpk= 0, iat=1124, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, igr2=1170,1171,1172, &end # # 31 ARG QD 35 GLU HB2 3.89 &rst ixpk= 0, nxpk= 0, iat= -1, 551, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, igr1= 473, 474, &end # # 35 GLU HB2 40 VAL QQG 3.19 &rst ixpk= 0, nxpk= 0, iat= 551, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, igr2= 642, 643, 644, 646, 647, 648, &end # # 80 LEU QQD 84 GLU QG 4.41 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17, igr1=1269,1270,1271,1273,1274,1275, igr2=1329,1330, &end # # 88 GLN QB 88 GLN QE2 4.44 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, igr1=1400,1401, igr2=1408,1409, &end # # 76 ASP HB2 87 VAL HB 4.34 &rst ixpk= 0, nxpk= 0, iat=1219,1384, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end # # 68 ALA QB 89 MET QE 2.73 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, igr1=1116,1117,1118, igr2=1424,1425,1426, &end # # 31 ARG QB 43 VAL QQG 3.17 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1= 467, 468, igr2= 677, 678, 679, 681, 682, 683, &end # # 85 LEU HA 85 LEU HG 3.89 &rst ixpk= 0, nxpk= 0, iat=1339,1344, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end # # 72 MET HB2 88 GLN HA 3.89 &rst ixpk= 0, nxpk= 0, iat=1163,1398, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end # # 86 ARG HB2 86 ARG HG2 2.55 &rst ixpk= 0, nxpk= 0, iat=1360,1363, r1= 1.30, r2= 1.80, r3= 2.55, r4= 3.05, &end # # 13 MET QE 63 HIS HB3 3.99 &rst ixpk= 0, nxpk= 0, iat= -1,1030, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, igr1= 187, 188, 189, &end # # 84 GLU QB 84 GLU QG 3.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, igr1=1326,1327, igr2=1329,1330, &end # # 84 GLU HA 84 GLU QB 3.02 &rst ixpk= 0, nxpk= 0, iat=1324, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, igr2=1326,1327, &end # # 20 ASN HB3 86 ARG HB2 3.68 &rst ixpk= 0, nxpk= 0, iat= 292,1360, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end # # 30 LEU HB3 30 LEU QQD 3.02 &rst ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, igr2= 453, 454, 455, 457, 458, 459, &end # # 18 VAL HB 34 PHE QD 5.50 &rst ixpk= 0, nxpk= 0, iat= 263, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 535, 543, &end # # 39 ARG QG 63 HIS HD2 5.20 &rst ixpk= 0, nxpk= 0, iat= -1,1038, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr1= 619, 620, &end # # 30 LEU HB3 60 VAL QQG 3.69 &rst ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr2= 971, 972, 973, 975, 976, 977, &end # # 66 ARG QG 67 ASP QB 4.47 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, igr1=1083,1084, igr2=1104,1105, &end # # 53 GLU HA 53 GLU QB 2.90 &rst ixpk= 0, nxpk= 0, iat= 860, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, igr2= 862, 863, &end # # 8 PRO QG 10 VAL QQG 4.36 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, igr1= 116, 117, igr2= 144, 145, 146, 148, 149, 150, &end # # 24 ARG HA 24 ARG QB 3.01 &rst ixpk= 0, nxpk= 0, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, igr2= 359, 360, &end # # 5 ARG QG 5 ARG QD 2.48 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, igr1= 67, 68, igr2= 70, 71, &end # # 39 ARG QB 39 ARG QG 2.49 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 616, 617, igr2= 619, 620, &end # # 52 LYS QB 52 LYS QD 2.82 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, igr1= 840, 841, igr2= 846, 847, &end # # 51 THR HA 52 LYS QD 3.35 &rst ixpk= 0, nxpk= 0, iat= 824, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, igr2= 846, 847, &end # # 39 ARG HA 39 ARG QG 3.77 &rst ixpk= 0, nxpk= 0, iat= 614, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, igr2= 619, 620, &end # # 27 PRO HA 30 LEU HG 4.72 &rst ixpk= 0, nxpk= 0, iat= 414, 451, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end # # 27 PRO HD3 45 ILE HB 5.28 &rst ixpk= 0, nxpk= 0, iat= 406, 712, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end # # 30 LEU HG 58 ALA HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 451, 937, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 21 LEU QQD 30 LEU HG 3.54 &rst ixpk= 0, nxpk= 0, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr1= 310, 311, 312, 314, 315, 316, &end # # 30 LEU HB2 30 LEU HG 2.51 &rst ixpk= 0, nxpk= 0, iat= 448, 451, r1= 1.30, r2= 1.80, r3= 2.51, r4= 3.01, &end # # 21 LEU HG 58 ALA HA 4.47 &rst ixpk= 0, nxpk= 0, iat= 308, 937, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end # # 65 LYS HA 65 LYS QG 3.97 &rst ixpk= 0, nxpk= 0, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, igr2=1061,1062, &end # # 36 LYS HB3 37 TYR QE 5.50 &rst ixpk= 0, nxpk= 0, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 594, 599, &end # # 30 LEU HB2 30 LEU QQD 2.84 &rst ixpk= 0, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, igr2= 453, 454, 455, 457, 458, 459, &end # # 21 LEU HB2 21 LEU QQD 3.16 &rst ixpk= 0, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, igr2= 310, 311, 312, 314, 315, 316, &end # # 62 PHE QE 68 ALA QB 5.08 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35, igr1=1015,1019, igr2=1116,1117,1118, &end # # 14 THR HA 68 ALA QB 5.32 &rst ixpk= 0, nxpk= 0, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89, igr2=1116,1117,1118, &end # # 25 THR HA 29 THR QG2 3.90 &rst ixpk= 0, nxpk= 0, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, igr2= 436, 437, 438, &end # # 29 THR QG2 32 ARG QD 2.55 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, igr1= 436, 437, 438, igr2= 497, 498, &end # # 85 LEU QB 85 LEU QQD 3.65 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, igr1=1341,1342, igr2=1346,1347,1348,1350,1351,1352, &end # # 14 THR QG2 62 PHE QD 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 199, 200, 201, igr2=1013,1021, &end # # 23 TYR QD 24 ARG QG 5.16 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1= 342, 351, igr2= 362, 363, &end # # 45 ILE HA 45 ILE QG1 3.51 &rst ixpk= 0, nxpk= 0, iat= 710, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, igr2= 718, 719, &end # # 14 THR QG2 89 MET HG3 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1421, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 199, 200, 201, &end # # 14 THR QG2 62 PHE HB3 4.53 &rst ixpk= 0, nxpk= 0, iat= -1,1010, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, igr1= 199, 200, 201, &end # # 21 LEU HB3 21 LEU QQD 2.64 &rst ixpk= 0, nxpk= 0, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, igr2= 310, 311, 312, 314, 315, 316, &end # # 21 LEU QQD 25 THR QG2 2.97 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, igr1= 310, 311, 312, 314, 315, 316, igr2= 385, 386, 387, &end # # 25 THR QG2 30 LEU QQD 2.67 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, igr1= 385, 386, 387, igr2= 453, 454, 455, 457, 458, 459, &end # # 33 VAL QQG 34 PHE QD 3.99 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, igr1= 517, 518, 519, 521, 522, 523, igr2= 535, 543, &end # # 33 VAL QQG 34 PHE QE 4.21 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87, igr1= 517, 518, 519, 521, 522, 523, igr2= 537, 541, &end # # 34 PHE QD 87 VAL QQG 4.89 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90, igr1= 535, 543, igr2=1386,1387,1388,1390,1391,1392, &end # # 18 VAL QQG 34 PHE QD 4.70 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61, igr1= 265, 266, 267, 269, 270, 271, igr2= 535, 543, &end # # 34 PHE QD 87 VAL QQG 5.20 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37, igr1= 535, 543, igr2=1386,1387,1388,1390,1391,1392, &end # # 18 VAL QQG 60 VAL QQG 3.15 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, igr1= 265, 266, 267, 269, 270, 271, igr2= 971, 972, 973, 975, 976, 977, &end # # 36 LYS HA 36 LYS QG 3.85 &rst ixpk= 0, nxpk= 0, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, igr2= 569, 570, &end # # 16 LEU QQD 69 GLU HA 5.13 &rst ixpk= 0, nxpk= 0, iat= -1,1124, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42, igr1= 227, 228, 229, 231, 232, 233, &end # # 16 LEU QQD 72 MET HA 5.41 &rst ixpk= 0, nxpk= 0, iat= -1,1161, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79, igr1= 227, 228, 229, 231, 232, 233, &end # # 16 LEU QQD 62 PHE HZ 5.11 &rst ixpk= 0, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39, igr1= 227, 228, 229, 231, 232, 233, &end # # 80 LEU HA 80 LEU QQD 3.47 &rst ixpk= 0, nxpk= 0, iat=1262, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, igr2=1269,1270,1271,1273,1274,1275, &end # # 27 PRO HA 58 ALA QB 3.66 &rst ixpk= 0, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr2= 939, 940, 941, &end # # 58 ALA QB 60 VAL QQG 3.06 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1= 939, 940, 941, igr2= 971, 972, 973, 975, 976, 977, &end # # 30 LEU HG 58 ALA QB 3.56 &rst ixpk= 0, nxpk= 0, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, igr2= 939, 940, 941, &end # # 21 LEU QQD 58 ALA QB 2.54 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr1= 310, 311, 312, 314, 315, 316, igr2= 939, 940, 941, &end # # 45 ILE QD1 58 ALA QB 2.87 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, igr1= 721, 722, 723, igr2= 939, 940, 941, &end # # 16 LEU QQD 62 PHE QD 4.86 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85, igr1= 227, 228, 229, 231, 232, 233, igr2=1013,1021, &end # # 16 LEU QQD 62 PHE QE 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 227, 228, 229, 231, 232, 233, igr2=1015,1019, &end # # 43 VAL QQG 62 PHE QE 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 677, 678, 679, 681, 682, 683, igr2=1015,1019, &end # # 45 ILE QG1 58 ALA QB 3.82 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, igr1= 718, 719, igr2= 939, 940, 941, &end # # 79 VAL QQG 84 GLU QB 2.98 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, igr1=1250,1251,1252,1254,1255,1256, igr2=1326,1327, &end # # 40 VAL QQG 43 VAL QQG 2.77 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr1= 642, 643, 644, 646, 647, 648, igr2= 677, 678, 679, 681, 682, 683, &end # # 43 VAL QQG 60 VAL QQG 2.91 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, igr1= 677, 678, 679, 681, 682, 683, igr2= 971, 972, 973, 975, 976, 977, &end # # 43 VAL QQG 60 VAL HA 4.61 &rst ixpk= 0, nxpk= 0, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71, igr1= 677, 678, 679, 681, 682, 683, &end # # 34 PHE HZ 85 LEU QQD 4.40 &rst ixpk= 0, nxpk= 0, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, igr2=1346,1347,1348,1350,1351,1352, &end # # 21 LEU QQD 58 ALA HA 4.87 &rst ixpk= 0, nxpk= 0, iat= -1, 937, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, igr1= 310, 311, 312, 314, 315, 316, &end # # 75 MET HA 85 LEU QQD 5.02 &rst ixpk= 0, nxpk= 0, iat=1200, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27, igr2=1346,1347,1348,1350,1351,1352, &end # # 84 GLU QB 85 LEU QQD 3.68 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr1=1326,1327, igr2=1346,1347,1348,1350,1351,1352, &end # # 76 ASP HA 85 LEU QQD 3.51 &rst ixpk= 0, nxpk= 0, iat=1217, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr2=1346,1347,1348,1350,1351,1352, &end # # 10 VAL HA 10 VAL QQG 3.70 &rst ixpk= 0, nxpk= 0, iat= 140, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, igr2= 144, 145, 146, 148, 149, 150, &end # # 10 VAL QQG 63 HIS HB3 5.33 &rst ixpk= 0, nxpk= 0, iat= -1,1030, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68, igr1= 144, 145, 146, 148, 149, 150, &end # # 10 VAL QQG 61 ARG QD 4.27 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96, igr1= 144, 145, 146, 148, 149, 150, igr2= 991, 992, &end # # 18 VAL QQG 60 VAL QQG 3.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, igr1= 265, 266, 267, 269, 270, 271, igr2= 971, 972, 973, 975, 976, 977, &end # # 18 VAL QQG 60 VAL QQG 3.44 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75, igr1= 265, 266, 267, 269, 270, 271, igr2= 971, 972, 973, 975, 976, 977, &end # # 30 LEU QQD 62 PHE HZ 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 453, 454, 455, 457, 458, 459, &end # # 18 VAL HA 30 LEU QQD 5.50 &rst ixpk= 0, nxpk= 0, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 453, 454, 455, 457, 458, 459, &end # # 30 LEU QQD 43 VAL HA 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 673, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 453, 454, 455, 457, 458, 459, &end # # 30 LEU QQD 58 ALA HA 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 937, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 453, 454, 455, 457, 458, 459, &end # # 79 VAL QQG 80 LEU HA 4.74 &rst ixpk= 0, nxpk= 0, iat= -1,1262, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89, igr1=1250,1251,1252,1254,1255,1256, &end # # 79 VAL QQG 83 ARG HA 5.01 &rst ixpk= 0, nxpk= 0, iat= -1,1300, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, igr1=1250,1251,1252,1254,1255,1256, &end # # 30 LEU QQD 60 VAL HB 4.30 &rst ixpk= 0, nxpk= 0, iat= -1, 969, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr1= 453, 454, 455, 457, 458, 459, &end # # 30 LEU QQD 60 VAL QQG 2.90 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, igr1= 453, 454, 455, 457, 458, 459, igr2= 971, 972, 973, 975, 976, 977, &end # # 27 PRO HD3 45 ILE QG2 4.27 &rst ixpk= 0, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr2= 714, 715, 716, &end # # 45 ILE QG2 45 ILE QD1 2.40 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, igr1= 714, 715, 716, igr2= 721, 722, 723, &end # # 40 VAL QQG 62 PHE QD 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 642, 643, 644, 646, 647, 648, igr2=1013,1021, &end # # 40 VAL QQG 62 PHE QE 5.25 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44, igr1= 642, 643, 644, 646, 647, 648, igr2=1015,1019, &end # # 40 VAL QQG 62 PHE HZ 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 642, 643, 644, 646, 647, 648, &end # # 35 GLU QG 40 VAL QQG 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 554, 555, igr2= 642, 643, 644, 646, 647, 648, &end # # 21 LEU QQD 56 GLY QA 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 310, 311, 312, 314, 315, 316, igr2= 910, 911, &end # # 45 ILE QD1 46 PRO QD 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 721, 722, 723, igr2= 728, 729, &end # # 21 LEU QQD 57 PHE HB3 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 920, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 310, 311, 312, 314, 315, 316, &end # # 40 VAL QQG 60 VAL QQG 3.06 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1= 642, 643, 644, 646, 647, 648, igr2= 971, 972, 973, 975, 976, 977, &end # # 17 LYS HA 60 VAL QQG 5.50 &rst ixpk= 0, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 971, 972, 973, 975, 976, 977, &end # # 60 VAL QQG 62 PHE HA 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1007, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 971, 972, 973, 975, 976, 977, &end # # 27 PRO HA 60 VAL QQG 5.33 &rst ixpk= 0, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68, igr2= 971, 972, 973, 975, 976, 977, &end # # 40 VAL HB 60 VAL QQG 5.40 &rst ixpk= 0, nxpk= 0, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78, igr2= 971, 972, 973, 975, 976, 977, &end # # 40 VAL HA 60 VAL QQG 4.92 &rst ixpk= 0, nxpk= 0, iat= 638, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13, igr2= 971, 972, 973, 975, 976, 977, &end # # 39 ARG H 40 VAL H 4.52 &rst ixpk= 0, nxpk= 0, iat= 612, 636, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end # # 39 ARG HA 40 VAL H 3.01 &rst ixpk= 0, nxpk= 0, iat= 614, 636, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end # # 40 VAL H 40 VAL HB 3.22 &rst ixpk= 0, nxpk= 0, iat= 636, 640, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end # # 39 ARG QG 40 VAL H 5.40 &rst ixpk= 0, nxpk= 0, iat= -1, 636, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, igr1= 619, 620, &end # # 40 VAL H 40 VAL QQG 3.32 &rst ixpk= 0, nxpk= 0, iat= 636, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, igr2= 642, 643, 644, 646, 647, 648, &end # # 31 ARG QD 40 VAL H 5.25 &rst ixpk= 0, nxpk= 0, iat= -1, 636, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, igr1= 473, 474, &end # # 39 ARG QD 40 VAL H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 636, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 622, 623, &end # # 35 GLU QG 40 VAL H 4.93 &rst ixpk= 0, nxpk= 0, iat= -1, 636, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1= 554, 555, &end # # 35 GLU HA 40 VAL H 4.56 &rst ixpk= 0, nxpk= 0, iat= 549, 636, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end # # 39 ARG QG 40 VAL H 4.82 &rst ixpk= 0, nxpk= 0, iat= -1, 636, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, igr1= 619, 620, &end # # 35 GLU QG 40 VAL H 4.85 &rst ixpk= 0, nxpk= 0, iat= -1, 636, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, igr1= 554, 555, &end # # 17 LYS QB 18 VAL H 4.56 &rst ixpk= 0, nxpk= 0, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, igr1= 241, 242, &end # # 18 VAL H 59 PHE QD 4.80 &rst ixpk= 0, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr2= 953, 961, &end # # 18 VAL H 59 PHE HA 4.65 &rst ixpk= 0, nxpk= 0, iat= 259, 947, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end # # 18 VAL H 18 VAL HB 3.94 &rst ixpk= 0, nxpk= 0, iat= 259, 263, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end # # 45 ILE H 45 ILE HB 4.17 &rst ixpk= 0, nxpk= 0, iat= 708, 712, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end # # 43 VAL QQG 45 ILE H 5.19 &rst ixpk= 0, nxpk= 0, iat= -1, 708, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 677, 678, 679, 681, 682, 683, &end # # 45 ILE H 58 ALA QB 5.50 &rst ixpk= 0, nxpk= 0, iat= 708, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 939, 940, 941, &end # # 35 GLU HB3 38 GLY H 5.50 &rst ixpk= 0, nxpk= 0, iat= 552, 605, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 37 TYR H 38 GLY H 3.19 &rst ixpk= 0, nxpk= 0, iat= 584, 605, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end # # 37 TYR QD 38 GLY H 4.42 &rst ixpk= 0, nxpk= 0, iat= -1, 605, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, igr1= 592, 601, &end # # 38 GLY H 62 PHE QE 4.27 &rst ixpk= 0, nxpk= 0, iat= 605, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, igr2=1015,1019, &end # # 35 GLU HA 38 GLY H 3.73 &rst ixpk= 0, nxpk= 0, iat= 549, 605, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end # # 34 PHE HA 38 GLY H 5.50 &rst ixpk= 0, nxpk= 0, iat= 529, 605, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 37 TYR HA 38 GLY H 3.55 &rst ixpk= 0, nxpk= 0, iat= 586, 605, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end # # 80 LEU HA 81 ASP H 3.51 &rst ixpk= 0, nxpk= 0, iat=1262,1279, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end # # 81 ASP H 82 GLY HA2 4.75 &rst ixpk= 0, nxpk= 0, iat=1279,1293, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end # # 81 ASP H 81 ASP QB 3.97 &rst ixpk= 0, nxpk= 0, iat=1279, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, igr2=1283,1284, &end # # 81 ASP H 81 ASP QB 3.73 &rst ixpk= 0, nxpk= 0, iat=1279, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, igr2=1283,1284, &end # # 79 VAL HB 81 ASP H 4.55 &rst ixpk= 0, nxpk= 0, iat=1248,1279, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end # # 80 LEU QB 81 ASP H 4.75 &rst ixpk= 0, nxpk= 0, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, igr1=1264,1265, &end # # 38 GLY H 39 ARG H 3.89 &rst ixpk= 0, nxpk= 0, iat= 605, 612, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end # # 37 TYR HB3 38 GLY H 4.14 &rst ixpk= 0, nxpk= 0, iat= 589, 605, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end # # 37 TYR HB2 38 GLY H 4.03 &rst ixpk= 0, nxpk= 0, iat= 588, 605, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end # # 36 LYS QG 38 GLY H 4.78 &rst ixpk= 0, nxpk= 0, iat= -1, 605, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr1= 569, 570, &end # # 80 LEU QQD 81 ASP H 4.00 &rst ixpk= 0, nxpk= 0, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr1=1269,1270,1271,1273,1274,1275, &end # # 80 LEU H 84 GLU QB 3.96 &rst ixpk= 0, nxpk= 0, iat=1260, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, igr2=1326,1327, &end # # 79 VAL HB 80 LEU H 3.40 &rst ixpk= 0, nxpk= 0, iat=1248,1260, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end # # 80 LEU H 80 LEU HG 4.07 &rst ixpk= 0, nxpk= 0, iat=1260,1267, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end # # 80 LEU H 80 LEU QB 3.92 &rst ixpk= 0, nxpk= 0, iat=1260, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr2=1264,1265, &end # # 80 LEU H 80 LEU QQD 3.33 &rst ixpk= 0, nxpk= 0, iat=1260, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr2=1269,1270,1271,1273,1274,1275, &end # # 80 LEU H 81 ASP H 4.71 &rst ixpk= 0, nxpk= 0, iat=1260,1279, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end # # 20 ASN HD22 85 LEU H 5.50 &rst ixpk= 0, nxpk= 0, iat= 296,1337, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 79 VAL H 85 LEU H 5.50 &rst ixpk= 0, nxpk= 0, iat=1244,1337, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 85 LEU H 86 ARG H 4.72 &rst ixpk= 0, nxpk= 0, iat=1337,1356, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end # # 84 GLU QB 85 LEU H 3.60 &rst ixpk= 0, nxpk= 0, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, igr1=1326,1327, &end # # 84 GLU QB 85 LEU H 3.90 &rst ixpk= 0, nxpk= 0, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, igr1=1326,1327, &end # # 85 LEU H 85 LEU QB 4.08 &rst ixpk= 0, nxpk= 0, iat=1337, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr2=1341,1342, &end # # 85 LEU H 85 LEU QQD 3.77 &rst ixpk= 0, nxpk= 0, iat=1337, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr2=1346,1347,1348,1350,1351,1352, &end # # 85 LEU H 85 LEU QB 3.98 &rst ixpk= 0, nxpk= 0, iat=1337, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr2=1341,1342, &end # # 83 ARG QG 85 LEU H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1305,1306, &end # # 65 LYS H 68 ALA QB 5.47 &rst ixpk= 0, nxpk= 0, iat=1054, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07, igr2=1116,1117,1118, &end # # 64 ASP HB2 65 LYS H 4.56 &rst ixpk= 0, nxpk= 0, iat=1046,1054, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end # # 65 LYS H 65 LYS QD 4.73 &rst ixpk= 0, nxpk= 0, iat=1054, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, igr2=1064,1065, &end # # 65 LYS H 65 LYS QG 4.55 &rst ixpk= 0, nxpk= 0, iat=1054, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, igr2=1061,1062, &end # # 14 THR QG2 65 LYS H 4.77 &rst ixpk= 0, nxpk= 0, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, igr1= 199, 200, 201, &end # # 64 ASP HA 65 LYS H 2.92 &rst ixpk= 0, nxpk= 0, iat=1044,1054, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end # # 64 ASP HB3 65 LYS H 3.80 &rst ixpk= 0, nxpk= 0, iat=1047,1054, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end # # 65 LYS H 65 LYS HB3 3.36 &rst ixpk= 0, nxpk= 0, iat=1054,1059, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end # # 65 LYS H 65 LYS HB2 3.31 &rst ixpk= 0, nxpk= 0, iat=1054,1058, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end # # 17 LYS H 90 ALA H 4.56 &rst ixpk= 0, nxpk= 0, iat= 237,1430, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end # # 89 MET HA 90 ALA H 3.49 &rst ixpk= 0, nxpk= 0, iat=1415,1430, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end # # 89 MET HG3 90 ALA H 5.50 &rst ixpk= 0, nxpk= 0, iat=1421,1430, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 89 MET HG2 90 ALA H 4.86 &rst ixpk= 0, nxpk= 0, iat=1420,1430, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end # # 89 MET QB 90 ALA H 4.95 &rst ixpk= 0, nxpk= 0, iat= -1,1430, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1=1417,1418, &end # # 16 LEU HA 90 ALA H 3.86 &rst ixpk= 0, nxpk= 0, iat= 220,1430, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end # # 86 ARG HA 87 VAL H 3.20 &rst ixpk= 0, nxpk= 0, iat=1358,1380, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end # # 76 ASP HA 87 VAL H 3.77 &rst ixpk= 0, nxpk= 0, iat=1217,1380, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end # # 76 ASP HB3 87 VAL H 4.31 &rst ixpk= 0, nxpk= 0, iat=1220,1380, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end # # 87 VAL H 87 VAL HB 3.93 &rst ixpk= 0, nxpk= 0, iat=1380,1384, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end # # 86 ARG QD 87 VAL H 4.34 &rst ixpk= 0, nxpk= 0, iat= -1,1380, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, igr1=1366,1367, &end # # 72 MET HA 87 VAL H 5.03 &rst ixpk= 0, nxpk= 0, iat=1161,1380, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end # # 44 TYR H 60 VAL HA 4.19 &rst ixpk= 0, nxpk= 0, iat= 687, 967, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end # # 44 TYR H 44 TYR QB 4.19 &rst ixpk= 0, nxpk= 0, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, igr2= 691, 692, &end # # 44 TYR H 59 PHE H 4.59 &rst ixpk= 0, nxpk= 0, iat= 687, 945, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end # # 44 TYR H 59 PHE QD 4.68 &rst ixpk= 0, nxpk= 0, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, igr2= 953, 961, &end # # 44 TYR H 44 TYR QD 4.22 &rst ixpk= 0, nxpk= 0, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, igr2= 695, 704, &end # # 43 VAL HA 44 TYR H 3.35 &rst ixpk= 0, nxpk= 0, iat= 673, 687, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end # # 43 VAL HB 44 TYR H 4.66 &rst ixpk= 0, nxpk= 0, iat= 675, 687, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end # # 43 VAL H 44 TYR H 4.68 &rst ixpk= 0, nxpk= 0, iat= 671, 687, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end # # 44 TYR H 60 VAL QQG 4.37 &rst ixpk= 0, nxpk= 0, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, igr2= 971, 972, 973, 975, 976, 977, &end # # 19 ASP H 87 VAL H 4.94 &rst ixpk= 0, nxpk= 0, iat= 275,1380, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end # # 48 ASP H 51 THR QG2 5.50 &rst ixpk= 0, nxpk= 0, iat= 765, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 828, 829, 830, &end # # 18 VAL H 19 ASP H 4.88 &rst ixpk= 0, nxpk= 0, iat= 259, 275, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end # # 19 ASP H 19 ASP QB 4.00 &rst ixpk= 0, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr2= 279, 280, &end # # 19 ASP H 19 ASP QB 3.85 &rst ixpk= 0, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, igr2= 279, 280, &end # # 18 VAL HB 19 ASP H 4.99 &rst ixpk= 0, nxpk= 0, iat= 263, 275, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end # # 19 ASP H 21 LEU QQD 5.02 &rst ixpk= 0, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27, igr2= 310, 311, 312, 314, 315, 316, &end # # 19 ASP H 87 VAL HA 4.59 &rst ixpk= 0, nxpk= 0, iat= 275,1382, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end # # 18 VAL HA 19 ASP H 3.40 &rst ixpk= 0, nxpk= 0, iat= 261, 275, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end # # 81 ASP H 82 GLY H 3.67 &rst ixpk= 0, nxpk= 0, iat=1279,1291, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end # # 80 LEU H 82 GLY H 4.39 &rst ixpk= 0, nxpk= 0, iat=1260,1291, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end # # 82 GLY H 83 ARG H 3.51 &rst ixpk= 0, nxpk= 0, iat=1291,1298, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end # # 80 LEU HA 82 GLY H 4.40 &rst ixpk= 0, nxpk= 0, iat=1262,1291, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 81 ASP HA 82 GLY H 3.21 &rst ixpk= 0, nxpk= 0, iat=1281,1291, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end # # 79 VAL HB 82 GLY H 4.09 &rst ixpk= 0, nxpk= 0, iat=1248,1291, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end # # 79 VAL QQG 82 GLY H 4.86 &rst ixpk= 0, nxpk= 0, iat= -1,1291, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05, igr1=1250,1251,1252,1254,1255,1256, &end # # 79 VAL HA 82 GLY H 5.20 &rst ixpk= 0, nxpk= 0, iat=1246,1291, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 81 ASP QB 82 GLY H 4.55 &rst ixpk= 0, nxpk= 0, iat= -1,1291, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, igr1=1283,1284, &end # # 48 ASP QB 49 ARG H 4.45 &rst ixpk= 0, nxpk= 0, iat= -1, 777, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, igr1= 769, 770, &end # # 48 ASP QB 49 ARG H 4.15 &rst ixpk= 0, nxpk= 0, iat= -1, 777, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr1= 769, 770, &end # # 49 ARG H 49 ARG QB 3.54 &rst ixpk= 0, nxpk= 0, iat= 777, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, igr2= 781, 782, &end # # 14 THR QG2 16 LEU H 4.51 &rst ixpk= 0, nxpk= 0, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, igr1= 199, 200, 201, &end # # 16 LEU H 61 ARG HA 4.81 &rst ixpk= 0, nxpk= 0, iat= 218, 983, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end # # 15 SER QB 16 LEU H 4.71 &rst ixpk= 0, nxpk= 0, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, igr1= 211, 212, &end # # 16 LEU H 62 PHE H 4.82 &rst ixpk= 0, nxpk= 0, iat= 218,1005, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end # # 21 LEU QQD 26 SER H 4.88 &rst ixpk= 0, nxpk= 0, iat= -1, 393, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08, igr1= 310, 311, 312, 314, 315, 316, &end # # 26 SER H 30 LEU QD2 4.71 &rst ixpk= 0, nxpk= 0, iat= 393, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, igr2= 457, 458, 459, &end # # 26 SER H 29 THR H 4.49 &rst ixpk= 0, nxpk= 0, iat= 393, 430, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end # # 25 THR H 26 SER H 4.79 &rst ixpk= 0, nxpk= 0, iat= 379, 393, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end # # 26 SER H 29 THR HB 3.63 &rst ixpk= 0, nxpk= 0, iat= 393, 434, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end # # 25 THR HA 26 SER H 2.95 &rst ixpk= 0, nxpk= 0, iat= 381, 393, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end # # 25 THR HB 26 SER H 3.36 &rst ixpk= 0, nxpk= 0, iat= 383, 393, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end # # 43 VAL HA 61 ARG H 4.18 &rst ixpk= 0, nxpk= 0, iat= 673, 981, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end # # 78 ALA H 85 LEU H 4.20 &rst ixpk= 0, nxpk= 0, iat=1234,1337, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 77 GLY H 78 ALA H 3.32 &rst ixpk= 0, nxpk= 0, iat=1227,1234, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end # # 78 ALA H 79 VAL H 4.12 &rst ixpk= 0, nxpk= 0, iat=1234,1244, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end # # 77 GLY QA 78 ALA H 3.56 &rst ixpk= 0, nxpk= 0, iat= -1,1234, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr1=1229,1230, &end # # 78 ALA H 85 LEU QB 4.21 &rst ixpk= 0, nxpk= 0, iat=1234, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr2=1341,1342, &end # # 78 ALA H 85 LEU HG 4.39 &rst ixpk= 0, nxpk= 0, iat=1234,1344, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end # # 75 MET QG 78 ALA H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1234, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1205,1206, &end # # 78 ALA H 84 GLU QB 5.50 &rst ixpk= 0, nxpk= 0, iat=1234, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1326,1327, &end # # 78 ALA H 78 ALA QB 2.73 &rst ixpk= 0, nxpk= 0, iat=1234, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, igr2=1238,1239,1240, &end # # 78 ALA H 85 LEU QB 5.32 &rst ixpk= 0, nxpk= 0, iat=1234, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, igr2=1341,1342, &end # # 78 ALA H 79 VAL QQG 4.71 &rst ixpk= 0, nxpk= 0, iat=1234, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85, igr2=1250,1251,1252,1254,1255,1256, &end # # 78 ALA H 85 LEU QQD 5.29 &rst ixpk= 0, nxpk= 0, iat=1234, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63, igr2=1346,1347,1348,1350,1351,1352, &end # # 78 ALA H 85 LEU QQD 5.49 &rst ixpk= 0, nxpk= 0, iat=1234, -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90, igr2=1346,1347,1348,1350,1351,1352, &end # # 15 SER H 90 ALA QB 5.50 &rst ixpk= 0, nxpk= 0, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1434,1435,1436, &end # # 15 SER H 68 ALA QB 5.32 &rst ixpk= 0, nxpk= 0, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89, igr2=1116,1117,1118, &end # # 17 LYS H 89 MET HA 4.14 &rst ixpk= 0, nxpk= 0, iat= 237,1415, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end # # 16 LEU QB 17 LYS H 4.90 &rst ixpk= 0, nxpk= 0, iat= -1, 237, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr1= 222, 223, &end # # 14 THR QG2 17 LYS H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 237, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 199, 200, 201, &end # # 14 THR QG2 15 SER H 3.54 &rst ixpk= 0, nxpk= 0, iat= -1, 207, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, igr1= 199, 200, 201, &end # # 17 LYS H 17 LYS QB 3.92 &rst ixpk= 0, nxpk= 0, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr2= 241, 242, &end # # 16 LEU HA 17 LYS H 3.48 &rst ixpk= 0, nxpk= 0, iat= 220, 237, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end # # 17 LYS H 90 ALA HA 5.16 &rst ixpk= 0, nxpk= 0, iat= 237,1432, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end # # 17 LYS H 72 MET QE 5.50 &rst ixpk= 0, nxpk= 0, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1170,1171,1172, &end # # 17 LYS H 88 GLN QB 5.50 &rst ixpk= 0, nxpk= 0, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1400,1401, &end # # 17 LYS H 87 VAL QQG 4.40 &rst ixpk= 0, nxpk= 0, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, igr2=1386,1387,1388,1390,1391,1392, &end # # 10 VAL H 11 GLU H 3.43 &rst ixpk= 0, nxpk= 0, iat= 138, 154, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end # # 11 GLU H 13 MET H 4.96 &rst ixpk= 0, nxpk= 0, iat= 154, 176, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end # # 9 ASP HA 11 GLU H 3.63 &rst ixpk= 0, nxpk= 0, iat= 128, 154, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end # # 11 GLU H 11 GLU QB 2.84 &rst ixpk= 0, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, igr2= 158, 159, &end # # 11 GLU H 13 MET QE 5.29 &rst ixpk= 0, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85, igr2= 187, 188, 189, &end # # 10 VAL QQG 11 GLU H 3.48 &rst ixpk= 0, nxpk= 0, iat= -1, 154, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, igr1= 144, 145, 146, 148, 149, 150, &end # # 43 VAL QQG 60 VAL H 5.18 &rst ixpk= 0, nxpk= 0, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48, igr1= 677, 678, 679, 681, 682, 683, &end # # 58 ALA QB 60 VAL H 5.49 &rst ixpk= 0, nxpk= 0, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09, igr1= 939, 940, 941, &end # # 59 PHE QD 60 VAL H 4.55 &rst ixpk= 0, nxpk= 0, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, igr1= 953, 961, &end # # 59 PHE QB 60 VAL H 4.61 &rst ixpk= 0, nxpk= 0, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, igr1= 949, 950, &end # # 17 LYS HA 60 VAL H 4.64 &rst ixpk= 0, nxpk= 0, iat= 239, 965, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end # # 100 HIS QB 101 SER H 3.96 &rst ixpk= 0, nxpk= 0, iat= -1,1601, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, igr1=1588,1589, &end # # 42 ASP HA 43 VAL H 3.03 &rst ixpk= 0, nxpk= 0, iat= 661, 671, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end # # 42 ASP QB 43 VAL H 4.17 &rst ixpk= 0, nxpk= 0, iat= -1, 671, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, igr1= 663, 664, &end # # 42 ASP H 43 VAL H 4.27 &rst ixpk= 0, nxpk= 0, iat= 659, 671, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end # # 43 VAL H 60 VAL HA 5.04 &rst ixpk= 0, nxpk= 0, iat= 671, 967, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end # # 43 VAL H 43 VAL HB 3.65 &rst ixpk= 0, nxpk= 0, iat= 671, 675, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end # # 40 VAL QQG 43 VAL H 4.67 &rst ixpk= 0, nxpk= 0, iat= -1, 671, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1= 642, 643, 644, 646, 647, 648, &end # # 71 ALA H 72 MET H 3.63 &rst ixpk= 0, nxpk= 0, iat=1149,1159, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end # # 70 ASP H 71 ALA H 3.29 &rst ixpk= 0, nxpk= 0, iat=1137,1149, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end # # 71 ALA H 73 ASP H 4.72 &rst ixpk= 0, nxpk= 0, iat=1149,1176, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end # # 37 TYR QD 71 ALA H 4.12 &rst ixpk= 0, nxpk= 0, iat= -1,1149, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, igr1= 592, 601, &end # # 67 ASP HA 71 ALA H 4.22 &rst ixpk= 0, nxpk= 0, iat=1102,1149, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end # # 69 GLU HA 71 ALA H 5.09 &rst ixpk= 0, nxpk= 0, iat=1124,1149, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end # # 37 TYR HB3 71 ALA H 4.33 &rst ixpk= 0, nxpk= 0, iat= 589,1149, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end # # 70 ASP QB 71 ALA H 3.29 &rst ixpk= 0, nxpk= 0, iat= -1,1149, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, igr1=1141,1142, &end # # 69 GLU HG3 71 ALA H 5.23 &rst ixpk= 0, nxpk= 0, iat=1130,1149, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end # # 71 ALA H 72 MET QE 5.50 &rst ixpk= 0, nxpk= 0, iat=1149, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1170,1171,1172, &end # # 71 ALA H 71 ALA QB 3.04 &rst ixpk= 0, nxpk= 0, iat=1149, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, igr2=1153,1154,1155, &end # # 71 ALA H 74 ALA QB 4.91 &rst ixpk= 0, nxpk= 0, iat=1149, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, igr2=1192,1193,1194, &end # # 16 LEU QQD 71 ALA H 5.45 &rst ixpk= 0, nxpk= 0, iat= -1,1149, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85, igr1= 227, 228, 229, 231, 232, 233, &end # # 71 ALA H 72 MET HB3 4.98 &rst ixpk= 0, nxpk= 0, iat=1149,1164, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end # # 69 GLU QB 71 ALA H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1149, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1126,1127, &end # # 55 ARG H 55 ARG QG 4.67 &rst ixpk= 0, nxpk= 0, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, igr2= 891, 892, &end # # 55 ARG H 56 GLY H 4.21 &rst ixpk= 0, nxpk= 0, iat= 884, 908, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end # # 55 ARG H 57 PHE QE 5.50 &rst ixpk= 0, nxpk= 0, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 925, 929, &end # # 88 GLN H 88 GLN QB 3.87 &rst ixpk= 0, nxpk= 0, iat=1396, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, igr2=1400,1401, &end # # 89 MET H 89 MET HG2 3.33 &rst ixpk= 0, nxpk= 0, iat=1413,1420, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end # # 88 GLN QG 89 MET H 3.80 &rst ixpk= 0, nxpk= 0, iat= -1,1413, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, igr1=1403,1404, &end # # 88 GLN QG 89 MET H 4.35 &rst ixpk= 0, nxpk= 0, iat= -1,1413, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, igr1=1403,1404, &end # # 88 GLN QB 89 MET H 2.98 &rst ixpk= 0, nxpk= 0, iat= -1,1413, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, igr1=1400,1401, &end # # 89 MET H 89 MET QB 3.27 &rst ixpk= 0, nxpk= 0, iat=1413, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, igr2=1417,1418, &end # # 23 TYR H 23 TYR HB3 3.88 &rst ixpk= 0, nxpk= 0, iat= 334, 339, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end # # 23 TYR H 23 TYR HB2 3.85 &rst ixpk= 0, nxpk= 0, iat= 334, 338, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end # # 22 THR QG2 23 TYR H 3.89 &rst ixpk= 0, nxpk= 0, iat= -1, 334, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, igr1= 326, 327, 328, &end # # 15 SER HA 62 PHE H 4.56 &rst ixpk= 0, nxpk= 0, iat= 209,1005, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end # # 62 PHE H 62 PHE QD 3.86 &rst ixpk= 0, nxpk= 0, iat=1005, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, igr2=1013,1021, &end # # 62 PHE H 62 PHE QE 5.50 &rst ixpk= 0, nxpk= 0, iat=1005, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1015,1019, &end # # 61 ARG QB 62 PHE H 4.77 &rst ixpk= 0, nxpk= 0, iat= -1,1005, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, igr1= 985, 986, &end # # 14 THR QG2 62 PHE H 5.22 &rst ixpk= 0, nxpk= 0, iat= -1,1005, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, igr1= 199, 200, 201, &end # # 89 MET H 90 ALA H 4.58 &rst ixpk= 0, nxpk= 0, iat=1413,1430, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end # # 88 GLN HA 89 MET H 2.99 &rst ixpk= 0, nxpk= 0, iat=1398,1413, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end # # 89 MET H 89 MET HG3 3.50 &rst ixpk= 0, nxpk= 0, iat=1413,1421, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 3 TYR H 4 GLY QA 4.78 &rst ixpk= 0, nxpk= 0, iat= 32, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr2= 55, 56, &end # # 2 SER HA 3 TYR H 2.73 &rst ixpk= 0, nxpk= 0, iat= 23, 32, r1= 1.30, r2= 1.80, r3= 2.73, r4= 3.23, &end # # 2 SER QB 3 TYR H 3.34 &rst ixpk= 0, nxpk= 0, iat= -1, 32, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, igr1= 25, 26, &end # # 3 TYR H 3 TYR QB 3.32 &rst ixpk= 0, nxpk= 0, iat= 32, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, igr2= 36, 37, &end # # 87 VAL HB 88 GLN H 4.13 &rst ixpk= 0, nxpk= 0, iat=1384,1396, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end # # 87 VAL HA 88 GLN H 3.52 &rst ixpk= 0, nxpk= 0, iat=1382,1396, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end # # 88 GLN H 88 GLN QB 3.89 &rst ixpk= 0, nxpk= 0, iat=1396, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, igr2=1400,1401, &end # # 88 GLN H 88 GLN QG 4.82 &rst ixpk= 0, nxpk= 0, iat=1396, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, igr2=1403,1404, &end # # 17 LYS H 88 GLN H 4.87 &rst ixpk= 0, nxpk= 0, iat= 237,1396, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end # # 79 VAL HA 84 GLU H 4.06 &rst ixpk= 0, nxpk= 0, iat=1246,1322, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end # # 20 ASN HD22 84 GLU H 4.02 &rst ixpk= 0, nxpk= 0, iat= 296,1322, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end # # 20 ASN HD21 84 GLU H 3.85 &rst ixpk= 0, nxpk= 0, iat= 297,1322, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end # # 83 ARG HA 84 GLU H 2.89 &rst ixpk= 0, nxpk= 0, iat=1300,1322, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end # # 84 GLU H 84 GLU QB 3.04 &rst ixpk= 0, nxpk= 0, iat=1322, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, igr2=1326,1327, &end # # 79 VAL HB 84 GLU H 4.15 &rst ixpk= 0, nxpk= 0, iat=1248,1322, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end # # 83 ARG QG 84 GLU H 4.53 &rst ixpk= 0, nxpk= 0, iat= -1,1322, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr1=1305,1306, &end # # 84 GLU H 85 LEU QQD 5.50 &rst ixpk= 0, nxpk= 0, iat=1322, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1346,1347,1348,1350,1351,1352, &end # # 79 VAL QQG 84 GLU H 4.66 &rst ixpk= 0, nxpk= 0, iat= -1,1322, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78, igr1=1250,1251,1252,1254,1255,1256, &end # # 84 GLU H 85 LEU H 4.64 &rst ixpk= 0, nxpk= 0, iat=1322,1337, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end # # 4 GLY QA 5 ARG H 3.31 &rst ixpk= 0, nxpk= 0, iat= -1, 60, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, igr1= 55, 56, &end # # 3 TYR QB 5 ARG H 4.99 &rst ixpk= 0, nxpk= 0, iat= -1, 60, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, igr1= 36, 37, &end # # 5 ARG H 5 ARG QD 5.23 &rst ixpk= 0, nxpk= 0, iat= 60, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, igr2= 70, 71, &end # # 5 ARG H 5 ARG QG 3.47 &rst ixpk= 0, nxpk= 0, iat= 60, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, igr2= 67, 68, &end # # 86 ARG H 86 ARG HG3 4.90 &rst ixpk= 0, nxpk= 0, iat=1356,1364, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 85 LEU QB 86 ARG H 4.30 &rst ixpk= 0, nxpk= 0, iat= -1,1356, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr1=1341,1342, &end # # 86 ARG H 87 VAL H 4.65 &rst ixpk= 0, nxpk= 0, iat=1356,1380, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end # # 19 ASP H 86 ARG H 4.14 &rst ixpk= 0, nxpk= 0, iat= 275,1356, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end # # 85 LEU HA 86 ARG H 3.45 &rst ixpk= 0, nxpk= 0, iat=1339,1356, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end # # 19 ASP QB 86 ARG H 5.44 &rst ixpk= 0, nxpk= 0, iat= -1,1356, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, igr1= 279, 280, &end # # 85 LEU QB 86 ARG H 4.44 &rst ixpk= 0, nxpk= 0, iat= -1,1356, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, igr1=1341,1342, &end # # 18 VAL QQG 86 ARG H 4.85 &rst ixpk= 0, nxpk= 0, iat= -1,1356, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04, igr1= 265, 266, 267, 269, 270, 271, &end # # 70 ASP H 72 MET H 4.50 &rst ixpk= 0, nxpk= 0, iat=1137,1159, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 69 GLU HG2 70 ASP H 4.12 &rst ixpk= 0, nxpk= 0, iat=1129,1137, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end # # 66 ARG HA 70 ASP H 4.35 &rst ixpk= 0, nxpk= 0, iat=1078,1137, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end # # 37 TYR HB3 70 ASP H 5.50 &rst ixpk= 0, nxpk= 0, iat= 589,1137, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 70 ASP H 70 ASP QB 3.66 &rst ixpk= 0, nxpk= 0, iat=1137, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr2=1141,1142, &end # # 70 ASP H 70 ASP QB 3.37 &rst ixpk= 0, nxpk= 0, iat=1137, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, igr2=1141,1142, &end # # 69 GLU HG3 70 ASP H 3.72 &rst ixpk= 0, nxpk= 0, iat=1130,1137, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end # # 69 GLU QB 70 ASP H 3.82 &rst ixpk= 0, nxpk= 0, iat= -1,1137, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, igr1=1126,1127, &end # # 68 ALA H 70 ASP H 4.59 &rst ixpk= 0, nxpk= 0, iat=1112,1137, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end # # 70 ASP H 71 ALA QB 4.33 &rst ixpk= 0, nxpk= 0, iat=1137, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, igr2=1153,1154,1155, &end # # 62 PHE QD 63 HIS H 4.28 &rst ixpk= 0, nxpk= 0, iat= -1,1025, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1=1013,1021, &end # # 81 ASP HA 83 ARG H 5.06 &rst ixpk= 0, nxpk= 0, iat=1281,1298, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end # # 79 VAL HB 83 ARG H 4.44 &rst ixpk= 0, nxpk= 0, iat=1248,1298, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end # # 79 VAL QQG 83 ARG H 3.54 &rst ixpk= 0, nxpk= 0, iat= -1,1298, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr1=1250,1251,1252,1254,1255,1256, &end # # 81 ASP H 83 ARG H 4.60 &rst ixpk= 0, nxpk= 0, iat=1279,1298, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 80 LEU H 83 ARG H 3.69 &rst ixpk= 0, nxpk= 0, iat=1260,1298, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end # # 83 ARG H 84 GLU H 4.28 &rst ixpk= 0, nxpk= 0, iat=1298,1322, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end # # 83 ARG H 83 ARG QD 4.54 &rst ixpk= 0, nxpk= 0, iat=1298, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, igr2=1308,1309, &end # # 83 ARG H 83 ARG QB 3.50 &rst ixpk= 0, nxpk= 0, iat=1298, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1302,1303, &end # # 79 VAL QQG 83 ARG H 4.90 &rst ixpk= 0, nxpk= 0, iat= -1,1298, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1250,1251,1252,1254,1255,1256, &end # # 80 LEU QQD 83 ARG H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1298, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1269,1270,1271,1273,1274,1275, &end # # 41 GLY H 63 HIS H 4.72 &rst ixpk= 0, nxpk= 0, iat= 652,1025, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end # # 62 PHE HB3 63 HIS H 3.88 &rst ixpk= 0, nxpk= 0, iat=1010,1025, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end # # 63 HIS H 63 HIS HB2 3.72 &rst ixpk= 0, nxpk= 0, iat=1025,1029, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end # # 63 HIS H 63 HIS HB3 3.92 &rst ixpk= 0, nxpk= 0, iat=1025,1030, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end # # 13 MET QE 63 HIS H 4.95 &rst ixpk= 0, nxpk= 0, iat= -1,1025, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr1= 187, 188, 189, &end # # 63 HIS H 64 ASP H 3.86 &rst ixpk= 0, nxpk= 0, iat=1025,1042, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end # # 62 PHE HB2 63 HIS H 4.12 &rst ixpk= 0, nxpk= 0, iat=1009,1025, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end # # 72 MET HB3 76 ASP H 5.50 &rst ixpk= 0, nxpk= 0, iat=1164,1215, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 76 ASP H 77 GLY H 4.80 &rst ixpk= 0, nxpk= 0, iat=1215,1227, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 75 MET H 76 ASP H 3.48 &rst ixpk= 0, nxpk= 0, iat=1198,1215, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end # # 74 ALA H 76 ASP H 4.29 &rst ixpk= 0, nxpk= 0, iat=1188,1215, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end # # 34 PHE QE 76 ASP H 5.42 &rst ixpk= 0, nxpk= 0, iat= -1,1215, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, igr1= 537, 541, &end # # 34 PHE HZ 76 ASP H 5.50 &rst ixpk= 0, nxpk= 0, iat= 539,1215, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 72 MET HA 76 ASP H 4.11 &rst ixpk= 0, nxpk= 0, iat=1161,1215, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end # # 76 ASP H 76 ASP HB3 3.35 &rst ixpk= 0, nxpk= 0, iat=1215,1220, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end # # 76 ASP H 76 ASP HB2 3.22 &rst ixpk= 0, nxpk= 0, iat=1215,1219, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end # # 75 MET QB 76 ASP H 3.43 &rst ixpk= 0, nxpk= 0, iat= -1,1215, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, igr1=1202,1203, &end # # 76 ASP H 78 ALA QB 5.47 &rst ixpk= 0, nxpk= 0, iat=1215, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07, igr2=1238,1239,1240, &end # # 76 ASP H 87 VAL QQG 3.64 &rst ixpk= 0, nxpk= 0, iat=1215, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, igr2=1386,1387,1388,1390,1391,1392, &end # # 76 ASP H 87 VAL H 5.20 &rst ixpk= 0, nxpk= 0, iat=1215,1380, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 74 ALA HA 76 ASP H 5.50 &rst ixpk= 0, nxpk= 0, iat=1190,1215, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 97 ASP H 98 SER H 4.41 &rst ixpk= 0, nxpk= 0, iat=1544,1556, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end # # 96 PRO QD 97 ASP H 4.03 &rst ixpk= 0, nxpk= 0, iat= -1,1544, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, igr1=1531,1532, &end # # 96 PRO QD 97 ASP H 4.32 &rst ixpk= 0, nxpk= 0, iat= -1,1544, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr1=1531,1532, &end # # 97 ASP H 97 ASP QB 3.03 &rst ixpk= 0, nxpk= 0, iat=1544, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, igr2=1548,1549, &end # # 96 PRO QB 97 ASP H 3.35 &rst ixpk= 0, nxpk= 0, iat= -1,1544, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, igr1=1537,1538, &end # # 62 PHE QD 64 ASP H 4.44 &rst ixpk= 0, nxpk= 0, iat= -1,1042, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, igr1=1013,1021, &end # # 64 ASP H 65 LYS H 4.79 &rst ixpk= 0, nxpk= 0, iat=1042,1054, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end # # 62 PHE HB3 64 ASP H 4.37 &rst ixpk= 0, nxpk= 0, iat=1010,1042, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end # # 63 HIS HB2 64 ASP H 3.86 &rst ixpk= 0, nxpk= 0, iat=1029,1042, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end # # 39 ARG QD 64 ASP H 4.24 &rst ixpk= 0, nxpk= 0, iat= -1,1042, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr1= 622, 623, &end # # 64 ASP H 64 ASP HB2 3.43 &rst ixpk= 0, nxpk= 0, iat=1042,1046, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end # # 64 ASP H 68 ALA QB 5.07 &rst ixpk= 0, nxpk= 0, iat=1042, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, igr2=1116,1117,1118, &end # # 63 HIS HD2 64 ASP H 4.34 &rst ixpk= 0, nxpk= 0, iat=1038,1042, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end # # 96 PRO QG 97 ASP H 3.34 &rst ixpk= 0, nxpk= 0, iat= -1,1544, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, igr1=1534,1535, &end # # 64 ASP H 67 ASP H 5.01 &rst ixpk= 0, nxpk= 0, iat=1042,1100, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end # # 67 ASP H 69 GLU H 4.52 &rst ixpk= 0, nxpk= 0, iat=1100,1122, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end # # 67 ASP H 68 ALA H 3.40 &rst ixpk= 0, nxpk= 0, iat=1100,1112, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end # # 67 ASP H 67 ASP QB 3.46 &rst ixpk= 0, nxpk= 0, iat=1100, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, igr2=1104,1105, &end # # 64 ASP HB3 67 ASP H 3.48 &rst ixpk= 0, nxpk= 0, iat=1047,1100, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end # # 66 ARG QB 67 ASP H 3.65 &rst ixpk= 0, nxpk= 0, iat= -1,1100, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, igr1=1080,1081, &end # # 66 ARG QG 67 ASP H 3.66 &rst ixpk= 0, nxpk= 0, iat= -1,1100, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr1=1083,1084, &end # # 67 ASP H 68 ALA QB 4.26 &rst ixpk= 0, nxpk= 0, iat=1100, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, igr2=1116,1117,1118, &end # # 14 THR QG2 67 ASP H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1100, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 199, 200, 201, &end # # 65 LYS H 67 ASP H 4.52 &rst ixpk= 0, nxpk= 0, iat=1054,1100, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end # # 64 ASP HA 67 ASP H 4.81 &rst ixpk= 0, nxpk= 0, iat=1044,1100, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end # # 65 LYS QD 68 ALA H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1112, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1064,1065, &end # # 66 ARG QG 68 ALA H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1112, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1083,1084, &end # # 64 ASP H 68 ALA H 5.50 &rst ixpk= 0, nxpk= 0, iat=1042,1112, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 68 ALA H 69 GLU H 3.45 &rst ixpk= 0, nxpk= 0, iat=1112,1122, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end # # 66 ARG HA 68 ALA H 4.74 &rst ixpk= 0, nxpk= 0, iat=1078,1112, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end # # 65 LYS HA 68 ALA H 4.06 &rst ixpk= 0, nxpk= 0, iat=1056,1112, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end # # 62 PHE HB3 68 ALA H 4.47 &rst ixpk= 0, nxpk= 0, iat=1010,1112, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end # # 67 ASP QB 68 ALA H 3.77 &rst ixpk= 0, nxpk= 0, iat= -1,1112, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, igr1=1104,1105, &end # # 64 ASP HB3 68 ALA H 4.68 &rst ixpk= 0, nxpk= 0, iat=1047,1112, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end # # 68 ALA H 72 MET QE 5.50 &rst ixpk= 0, nxpk= 0, iat=1112, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1170,1171,1172, &end # # 68 ALA H 69 GLU QB 5.26 &rst ixpk= 0, nxpk= 0, iat=1112, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, igr2=1126,1127, &end # # 16 LEU QB 68 ALA H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1112, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 222, 223, &end # # 66 ARG QB 68 ALA H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1112, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1080,1081, &end # # 68 ALA H 68 ALA QB 3.10 &rst ixpk= 0, nxpk= 0, iat=1112, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, igr2=1116,1117,1118, &end # # 34 PHE H 35 GLU H 3.55 &rst ixpk= 0, nxpk= 0, iat= 527, 547, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end # # 34 PHE HB2 35 GLU H 4.45 &rst ixpk= 0, nxpk= 0, iat= 531, 547, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end # # 35 GLU H 35 GLU QG 4.81 &rst ixpk= 0, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 554, 555, &end # # 35 GLU H 36 LYS QG 5.41 &rst ixpk= 0, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2= 569, 570, &end # # 31 ARG H 32 ARG H 3.28 &rst ixpk= 0, nxpk= 0, iat= 463, 487, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end # # 28 ASP HA 31 ARG H 3.96 &rst ixpk= 0, nxpk= 0, iat= 420, 463, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end # # 32 ARG HA 35 GLU H 4.20 &rst ixpk= 0, nxpk= 0, iat= 489, 547, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 29 THR HA 31 ARG H 4.21 &rst ixpk= 0, nxpk= 0, iat= 432, 463, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end # # 34 PHE HB3 35 GLU H 4.81 &rst ixpk= 0, nxpk= 0, iat= 532, 547, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end # # 30 LEU HB2 31 ARG H 3.74 &rst ixpk= 0, nxpk= 0, iat= 448, 463, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end # # 30 LEU QD2 31 ARG H 5.13 &rst ixpk= 0, nxpk= 0, iat= -1, 463, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, igr1= 457, 458, 459, &end # # 31 ARG H 60 VAL QQG 5.30 &rst ixpk= 0, nxpk= 0, iat= 463, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64, igr2= 971, 972, 973, 975, 976, 977, &end # # 22 THR H 25 THR H 4.83 &rst ixpk= 0, nxpk= 0, iat= 320, 379, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end # # 25 THR H 25 THR HB 3.48 &rst ixpk= 0, nxpk= 0, iat= 379, 383, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end # # 24 ARG QB 25 THR H 4.83 &rst ixpk= 0, nxpk= 0, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, igr1= 359, 360, &end # # 22 THR QG2 25 THR H 5.19 &rst ixpk= 0, nxpk= 0, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73, igr1= 326, 327, 328, &end # # 24 ARG QG 25 THR H 5.49 &rst ixpk= 0, nxpk= 0, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, igr1= 362, 363, &end # # 21 LEU QQD 25 THR H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 310, 311, 312, 314, 315, 316, &end # # 21 LEU QQD 25 THR H 5.06 &rst ixpk= 0, nxpk= 0, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32, igr1= 310, 311, 312, 314, 315, 316, &end # # 9 ASP H 10 VAL H 3.88 &rst ixpk= 0, nxpk= 0, iat= 126, 138, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end # # 9 ASP H 10 VAL QQG 4.24 &rst ixpk= 0, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, igr2= 144, 145, 146, 148, 149, 150, &end # # 9 ASP H 9 ASP QB 3.24 &rst ixpk= 0, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, igr2= 130, 131, &end # # 9 ASP H 9 ASP QB 3.22 &rst ixpk= 0, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, igr2= 130, 131, &end # # 8 PRO QB 9 ASP H 3.53 &rst ixpk= 0, nxpk= 0, iat= -1, 126, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr1= 119, 120, &end # # 8 PRO QG 9 ASP H 3.56 &rst ixpk= 0, nxpk= 0, iat= -1, 126, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr1= 116, 117, &end # # 13 MET QE 14 THR H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 193, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 187, 188, 189, &end # # 14 THR H 65 LYS HB2 5.50 &rst ixpk= 0, nxpk= 0, iat= 193,1058, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 14 THR H 14 THR HB 4.15 &rst ixpk= 0, nxpk= 0, iat= 193, 197, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end # # 13 MET QB 14 THR H 4.90 &rst ixpk= 0, nxpk= 0, iat= -1, 193, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr1= 180, 181, &end # # 13 MET QB 14 THR H 4.79 &rst ixpk= 0, nxpk= 0, iat= -1, 193, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr1= 180, 181, &end # # 14 THR H 15 SER H 4.57 &rst ixpk= 0, nxpk= 0, iat= 193, 207, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end # # 30 LEU H 31 ARG H 3.75 &rst ixpk= 0, nxpk= 0, iat= 444, 463, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end # # 30 LEU H 30 LEU QD2 3.56 &rst ixpk= 0, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, igr2= 457, 458, 459, &end # # 29 THR HB 30 LEU H 3.56 &rst ixpk= 0, nxpk= 0, iat= 434, 444, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end # # 30 LEU H 30 LEU HG 4.45 &rst ixpk= 0, nxpk= 0, iat= 444, 451, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end # # 25 THR QG2 30 LEU H 4.46 &rst ixpk= 0, nxpk= 0, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, igr1= 385, 386, 387, &end # # 30 LEU H 33 VAL QQG 4.77 &rst ixpk= 0, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93, igr2= 517, 518, 519, 521, 522, 523, &end # # 14 THR H 68 ALA QB 5.50 &rst ixpk= 0, nxpk= 0, iat= 193, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1116,1117,1118, &end # # 78 ALA HA 79 VAL H 2.71 &rst ixpk= 0, nxpk= 0, iat=1236,1244, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21, &end # # 79 VAL H 79 VAL HB 2.93 &rst ixpk= 0, nxpk= 0, iat=1244,1248, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end # # 79 VAL H 80 LEU H 4.63 &rst ixpk= 0, nxpk= 0, iat=1244,1260, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end # # 66 ARG H 68 ALA H 4.19 &rst ixpk= 0, nxpk= 0, iat=1076,1112, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end # # 64 ASP HB3 66 ARG H 3.93 &rst ixpk= 0, nxpk= 0, iat=1047,1076, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end # # 65 LYS HB3 66 ARG H 3.56 &rst ixpk= 0, nxpk= 0, iat=1059,1076, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end # # 65 LYS H 66 ARG H 3.54 &rst ixpk= 0, nxpk= 0, iat=1054,1076, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 66 ARG H 69 GLU H 5.09 &rst ixpk= 0, nxpk= 0, iat=1076,1122, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end # # 66 ARG H 67 ASP H 3.32 &rst ixpk= 0, nxpk= 0, iat=1076,1100, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end # # 65 LYS QE 66 ARG H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1076, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1067,1068, &end # # 66 ARG H 67 ASP QB 5.50 &rst ixpk= 0, nxpk= 0, iat=1076, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1104,1105, &end # # 66 ARG H 66 ARG QB 2.79 &rst ixpk= 0, nxpk= 0, iat=1076, -1, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, igr2=1080,1081, &end # # 66 ARG H 66 ARG QG 3.36 &rst ixpk= 0, nxpk= 0, iat=1076, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2=1083,1084, &end # # 65 LYS QG 66 ARG H 4.74 &rst ixpk= 0, nxpk= 0, iat= -1,1076, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, igr1=1061,1062, &end # # 14 THR QG2 66 ARG H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1076, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 199, 200, 201, &end # # 72 MET H 73 ASP H 3.53 &rst ixpk= 0, nxpk= 0, iat=1159,1176, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end # # 68 ALA HA 72 MET H 4.79 &rst ixpk= 0, nxpk= 0, iat=1114,1159, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end # # 72 MET H 72 MET QG 3.81 &rst ixpk= 0, nxpk= 0, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, igr2=1166,1167, &end # # 72 MET H 72 MET HB3 3.22 &rst ixpk= 0, nxpk= 0, iat=1159,1164, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end # # 72 MET H 72 MET HB2 3.62 &rst ixpk= 0, nxpk= 0, iat=1159,1163, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end # # 71 ALA QB 72 MET H 3.38 &rst ixpk= 0, nxpk= 0, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, igr1=1153,1154,1155, &end # # 72 MET H 87 VAL QQG 3.88 &rst ixpk= 0, nxpk= 0, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, igr2=1386,1387,1388,1390,1391,1392, &end # # 51 THR HA 53 GLU H 4.79 &rst ixpk= 0, nxpk= 0, iat= 824, 858, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end # # 48 ASP QB 53 GLU H 3.91 &rst ixpk= 0, nxpk= 0, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, igr1= 769, 770, &end # # 53 GLU H 54 SER H 4.19 &rst ixpk= 0, nxpk= 0, iat= 858, 873, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end # # 52 LYS H 53 GLU H 3.61 &rst ixpk= 0, nxpk= 0, iat= 836, 858, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end # # 48 ASP QB 53 GLU H 4.28 &rst ixpk= 0, nxpk= 0, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1= 769, 770, &end # # 53 GLU H 53 GLU QG 3.62 &rst ixpk= 0, nxpk= 0, iat= 858, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, igr2= 865, 866, &end # # 53 GLU H 53 GLU QG 3.53 &rst ixpk= 0, nxpk= 0, iat= 858, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr2= 865, 866, &end # # 53 GLU H 53 GLU QB 3.43 &rst ixpk= 0, nxpk= 0, iat= 858, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, igr2= 862, 863, &end # # 52 LYS QD 53 GLU H 4.89 &rst ixpk= 0, nxpk= 0, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, igr1= 846, 847, &end # # 35 GLU H 36 LYS H 3.48 &rst ixpk= 0, nxpk= 0, iat= 547, 562, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end # # 36 LYS H 38 GLY H 4.20 &rst ixpk= 0, nxpk= 0, iat= 562, 605, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 36 LYS H 37 TYR QE 4.85 &rst ixpk= 0, nxpk= 0, iat= 562, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, igr2= 594, 599, &end # # 35 GLU QG 36 LYS H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 554, 555, &end # # 36 LYS H 36 LYS QG 2.96 &rst ixpk= 0, nxpk= 0, iat= 562, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, igr2= 569, 570, &end # # 36 LYS H 40 VAL QQG 4.92 &rst ixpk= 0, nxpk= 0, iat= 562, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13, igr2= 642, 643, 644, 646, 647, 648, &end # # 33 VAL H 36 LYS H 5.50 &rst ixpk= 0, nxpk= 0, iat= 511, 562, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 36 LYS H 37 TYR H 3.43 &rst ixpk= 0, nxpk= 0, iat= 562, 584, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end # # 36 LYS H 37 TYR QD 3.94 &rst ixpk= 0, nxpk= 0, iat= 562, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, igr2= 592, 601, &end # # 36 LYS H 36 LYS HA 2.93 &rst ixpk= 0, nxpk= 0, iat= 562, 564, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end # # 35 GLU HB3 36 LYS H 4.21 &rst ixpk= 0, nxpk= 0, iat= 552, 562, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end # # 35 GLU HB2 36 LYS H 4.31 &rst ixpk= 0, nxpk= 0, iat= 551, 562, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end # # 36 LYS H 36 LYS HB3 2.98 &rst ixpk= 0, nxpk= 0, iat= 562, 567, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end # # 9 ASP HA 10 VAL H 3.15 &rst ixpk= 0, nxpk= 0, iat= 128, 138, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end # # 9 ASP QB 10 VAL H 4.63 &rst ixpk= 0, nxpk= 0, iat= -1, 138, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, igr1= 130, 131, &end # # 10 VAL H 11 GLU QB 5.06 &rst ixpk= 0, nxpk= 0, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr2= 158, 159, &end # # 10 VAL H 10 VAL QQG 3.45 &rst ixpk= 0, nxpk= 0, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr2= 144, 145, 146, 148, 149, 150, &end # # 34 PHE HA 36 LYS H 4.10 &rst ixpk= 0, nxpk= 0, iat= 529, 562, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 10 VAL H 11 GLU HA 5.41 &rst ixpk= 0, nxpk= 0, iat= 138, 156, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end # # 29 THR H 31 ARG QB 5.16 &rst ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, igr2= 467, 468, &end # # 29 THR H 30 LEU QD2 5.33 &rst ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, igr2= 457, 458, 459, &end # # 29 THR H 31 ARG H 4.45 &rst ixpk= 0, nxpk= 0, iat= 430, 463, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end # # 29 THR H 30 LEU H 3.47 &rst ixpk= 0, nxpk= 0, iat= 430, 444, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end # # 29 THR H 30 LEU HB3 5.50 &rst ixpk= 0, nxpk= 0, iat= 430, 449, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 29 THR H 29 THR HB 3.22 &rst ixpk= 0, nxpk= 0, iat= 430, 434, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end # # 27 PRO HA 29 THR H 4.63 &rst ixpk= 0, nxpk= 0, iat= 414, 430, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end # # 29 THR H 30 LEU HB2 4.85 &rst ixpk= 0, nxpk= 0, iat= 430, 448, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end # # 13 MET H 13 MET QB 4.12 &rst ixpk= 0, nxpk= 0, iat= 176, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, igr2= 180, 181, &end # # 13 MET H 14 THR H 4.68 &rst ixpk= 0, nxpk= 0, iat= 176, 193, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end # # 12 GLY H 13 MET H 3.89 &rst ixpk= 0, nxpk= 0, iat= 169, 176, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end # # 13 MET H 13 MET QB 3.91 &rst ixpk= 0, nxpk= 0, iat= 176, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, igr2= 180, 181, &end # # 74 ALA H 75 MET QG 5.50 &rst ixpk= 0, nxpk= 0, iat=1188, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1205,1206, &end # # 50 TYR H 50 TYR QE 4.66 &rst ixpk= 0, nxpk= 0, iat= 801, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, igr2= 811, 816, &end # # 48 ASP QB 50 TYR H 4.90 &rst ixpk= 0, nxpk= 0, iat= -1, 801, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr1= 769, 770, &end # # 10 VAL QQG 13 MET H 5.45 &rst ixpk= 0, nxpk= 0, iat= -1, 176, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85, igr1= 144, 145, 146, 148, 149, 150, &end # # 10 VAL QQG 13 MET H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 176, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 144, 145, 146, 148, 149, 150, &end # # 72 MET H 74 ALA H 4.35 &rst ixpk= 0, nxpk= 0, iat=1159,1188, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end # # 74 ALA H 75 MET H 3.38 &rst ixpk= 0, nxpk= 0, iat=1188,1198, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end # # 37 TYR QE 74 ALA H 4.98 &rst ixpk= 0, nxpk= 0, iat= -1,1188, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, igr1= 594, 599, &end # # 74 ALA H 75 MET HA 4.83 &rst ixpk= 0, nxpk= 0, iat=1188,1200, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end # # 73 ASP HA 74 ALA H 3.51 &rst ixpk= 0, nxpk= 0, iat=1178,1188, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end # # 72 MET HA 74 ALA H 4.42 &rst ixpk= 0, nxpk= 0, iat=1161,1188, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end # # 72 MET HB3 74 ALA H 5.29 &rst ixpk= 0, nxpk= 0, iat=1164,1188, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end # # 74 ALA H 75 MET QB 4.47 &rst ixpk= 0, nxpk= 0, iat=1188, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, igr2=1202,1203, &end # # 19 ASP HA 58 ALA H 4.18 &rst ixpk= 0, nxpk= 0, iat= 277, 935, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end # # 57 PHE QD 58 ALA H 4.25 &rst ixpk= 0, nxpk= 0, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr1= 923, 931, &end # # 57 PHE HB2 58 ALA H 3.85 &rst ixpk= 0, nxpk= 0, iat= 919, 935, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end # # 21 LEU HG 58 ALA H 4.36 &rst ixpk= 0, nxpk= 0, iat= 308, 935, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end # # 49 ARG QB 50 TYR H 4.12 &rst ixpk= 0, nxpk= 0, iat= -1, 801, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, igr1= 781, 782, &end # # 50 TYR H 51 THR H 3.41 &rst ixpk= 0, nxpk= 0, iat= 801, 822, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 49 ARG H 50 TYR H 3.90 &rst ixpk= 0, nxpk= 0, iat= 777, 801, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end # # 50 TYR H 52 LYS H 4.05 &rst ixpk= 0, nxpk= 0, iat= 801, 836, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end # # 48 ASP HA 50 TYR H 4.49 &rst ixpk= 0, nxpk= 0, iat= 767, 801, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end # # 50 TYR H 50 TYR HB3 3.58 &rst ixpk= 0, nxpk= 0, iat= 801, 806, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end # # 48 ASP QB 50 TYR H 4.13 &rst ixpk= 0, nxpk= 0, iat= -1, 801, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, igr1= 769, 770, &end # # 57 PHE HA 58 ALA H 3.54 &rst ixpk= 0, nxpk= 0, iat= 917, 935, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 76 ASP HB3 77 GLY H 4.52 &rst ixpk= 0, nxpk= 0, iat=1220,1227, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end # # 77 GLY H 87 VAL QQG 4.89 &rst ixpk= 0, nxpk= 0, iat=1227, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09, igr2=1386,1387,1388,1390,1391,1392, &end # # 77 GLY H 87 VAL H 4.69 &rst ixpk= 0, nxpk= 0, iat=1227,1380, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end # # 77 GLY H 86 ARG HA 4.58 &rst ixpk= 0, nxpk= 0, iat=1227,1358, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end # # 76 ASP HA 77 GLY H 3.38 &rst ixpk= 0, nxpk= 0, iat=1217,1227, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end # # 77 GLY H 85 LEU QB 4.73 &rst ixpk= 0, nxpk= 0, iat=1227, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, igr2=1341,1342, &end # # 75 MET QB 77 GLY H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1202,1203, &end # # 77 GLY H 85 LEU HG 5.50 &rst ixpk= 0, nxpk= 0, iat=1227,1344, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 77 GLY H 78 ALA QB 4.48 &rst ixpk= 0, nxpk= 0, iat=1227, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr2=1238,1239,1240, &end # # 77 GLY H 85 LEU QQD 5.26 &rst ixpk= 0, nxpk= 0, iat=1227, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr2=1346,1347,1348,1350,1351,1352, &end # # 77 GLY H 85 LEU QQD 5.46 &rst ixpk= 0, nxpk= 0, iat=1227, -1, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86, igr2=1346,1347,1348,1350,1351,1352, &end # # 76 ASP HB2 77 GLY H 4.46 &rst ixpk= 0, nxpk= 0, iat=1219,1227, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end # # 77 GLY H 85 LEU H 4.68 &rst ixpk= 0, nxpk= 0, iat=1227,1337, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end # # 69 GLU H 69 GLU HG2 3.44 &rst ixpk= 0, nxpk= 0, iat=1122,1129, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end # # 69 GLU H 69 GLU HG3 3.38 &rst ixpk= 0, nxpk= 0, iat=1122,1130, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end # # 69 GLU H 69 GLU QB 3.20 &rst ixpk= 0, nxpk= 0, iat=1122, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, igr2=1126,1127, &end # # 14 THR QG2 69 GLU H 4.46 &rst ixpk= 0, nxpk= 0, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, igr1= 199, 200, 201, &end # # 71 ALA QB 73 ASP H 4.93 &rst ixpk= 0, nxpk= 0, iat= -1,1176, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, igr1=1153,1154,1155, &end # # 70 ASP H 73 ASP H 5.22 &rst ixpk= 0, nxpk= 0, iat=1137,1176, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end # # 73 ASP H 75 MET H 5.50 &rst ixpk= 0, nxpk= 0, iat=1176,1198, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 73 ASP H 73 ASP QB 3.01 &rst ixpk= 0, nxpk= 0, iat=1176, -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, igr2=1180,1181, &end # # 73 ASP H 73 ASP QB 3.68 &rst ixpk= 0, nxpk= 0, iat=1176, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, igr2=1180,1181, &end # # 72 MET QG 73 ASP H 3.99 &rst ixpk= 0, nxpk= 0, iat= -1,1176, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, igr1=1166,1167, &end # # 73 ASP H 74 ALA QB 4.20 &rst ixpk= 0, nxpk= 0, iat=1176, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr2=1192,1193,1194, &end # # 73 ASP H 74 ALA H 3.39 &rst ixpk= 0, nxpk= 0, iat=1176,1188, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end # # 72 MET HB3 73 ASP H 3.60 &rst ixpk= 0, nxpk= 0, iat=1164,1176, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 72 MET HB2 73 ASP H 4.22 &rst ixpk= 0, nxpk= 0, iat=1163,1176, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end # # 98 SER H 99 HIS H 4.14 &rst ixpk= 0, nxpk= 0, iat=1556,1567, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end # # 33 VAL H 34 PHE H 3.50 &rst ixpk= 0, nxpk= 0, iat= 511, 527, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 34 PHE H 34 PHE QD 3.68 &rst ixpk= 0, nxpk= 0, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, igr2= 535, 543, &end # # 34 PHE H 34 PHE QE 5.09 &rst ixpk= 0, nxpk= 0, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, igr2= 537, 541, &end # # 34 PHE H 36 LYS H 5.01 &rst ixpk= 0, nxpk= 0, iat= 527, 562, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end # # 34 PHE H 35 GLU HA 5.04 &rst ixpk= 0, nxpk= 0, iat= 527, 549, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end # # 30 LEU HA 34 PHE H 4.25 &rst ixpk= 0, nxpk= 0, iat= 446, 527, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end # # 34 PHE H 34 PHE HB3 3.78 &rst ixpk= 0, nxpk= 0, iat= 527, 532, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end # # 34 PHE H 34 PHE HB2 3.69 &rst ixpk= 0, nxpk= 0, iat= 527, 531, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end # # 33 VAL HB 34 PHE H 3.92 &rst ixpk= 0, nxpk= 0, iat= 515, 527, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end # # 34 PHE H 62 PHE HZ 5.02 &rst ixpk= 0, nxpk= 0, iat= 527,1017, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end # # 31 ARG QB 34 PHE H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 467, 468, &end # # 32 ARG QB 34 PHE H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 491, 492, &end # # 29 THR QG2 34 PHE H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 436, 437, 438, &end # # 97 ASP HA 98 SER H 2.81 &rst ixpk= 0, nxpk= 0, iat=1546,1556, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31, &end # # 34 PHE H 37 TYR QD 4.85 &rst ixpk= 0, nxpk= 0, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, igr2= 592, 601, &end # # 34 PHE H 37 TYR QE 5.15 &rst ixpk= 0, nxpk= 0, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, igr2= 594, 599, &end # # 2 SER H 3 TYR H 4.87 &rst ixpk= 0, nxpk= 0, iat= 21, 32, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end # # 98 SER H 98 SER QB 3.82 &rst ixpk= 0, nxpk= 0, iat=1556, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, igr2=1560,1561, &end # # 97 ASP QB 98 SER H 3.63 &rst ixpk= 0, nxpk= 0, iat= -1,1556, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, igr1=1548,1549, &end # # 59 PHE H 59 PHE QD 4.41 &rst ixpk= 0, nxpk= 0, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr2= 953, 961, &end # # 58 ALA QB 59 PHE H 3.60 &rst ixpk= 0, nxpk= 0, iat= -1, 945, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, igr1= 939, 940, 941, &end # # 45 ILE QG2 59 PHE H 5.22 &rst ixpk= 0, nxpk= 0, iat= -1, 945, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, igr1= 714, 715, 716, &end # # 39 ARG H 62 PHE QD 4.27 &rst ixpk= 0, nxpk= 0, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, igr2=1013,1021, &end # # 39 ARG H 62 PHE QE 4.54 &rst ixpk= 0, nxpk= 0, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, igr2=1015,1019, &end # # 39 ARG H 40 VAL HA 4.89 &rst ixpk= 0, nxpk= 0, iat= 612, 638, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end # # 39 ARG H 39 ARG QD 4.64 &rst ixpk= 0, nxpk= 0, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, igr2= 622, 623, &end # # 39 ARG H 39 ARG QG 3.27 &rst ixpk= 0, nxpk= 0, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, igr2= 619, 620, &end # # 39 ARG H 39 ARG QG 3.50 &rst ixpk= 0, nxpk= 0, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 619, 620, &end # # 39 ARG H 40 VAL QQG 4.64 &rst ixpk= 0, nxpk= 0, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75, igr2= 642, 643, 644, 646, 647, 648, &end # # 54 SER H 54 SER QB 3.72 &rst ixpk= 0, nxpk= 0, iat= 873, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, igr2= 877, 878, &end # # 54 SER H 54 SER QB 3.60 &rst ixpk= 0, nxpk= 0, iat= 873, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, igr2= 877, 878, &end # # 53 GLU QB 54 SER H 3.96 &rst ixpk= 0, nxpk= 0, iat= -1, 873, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, igr1= 862, 863, &end # # 39 ARG H 63 HIS HD2 4.36 &rst ixpk= 0, nxpk= 0, iat= 612,1038, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end # # 27 PRO HD2 28 ASP H 3.11 &rst ixpk= 0, nxpk= 0, iat= 405, 418, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end # # 39 ARG H 39 ARG QB 3.53 &rst ixpk= 0, nxpk= 0, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr2= 616, 617, &end # # 27 PRO HG2 28 ASP H 3.13 &rst ixpk= 0, nxpk= 0, iat= 408, 418, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end # # 31 ARG QD 32 ARG H 5.05 &rst ixpk= 0, nxpk= 0, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 473, 474, &end # # 28 ASP QB 32 ARG H 5.40 &rst ixpk= 0, nxpk= 0, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, igr1= 422, 423, &end # # 31 ARG QB 32 ARG H 2.88 &rst ixpk= 0, nxpk= 0, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, igr1= 467, 468, &end # # 32 ARG H 32 ARG QG 3.37 &rst ixpk= 0, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, igr2= 494, 495, &end # # 28 ASP H 29 THR H 3.49 &rst ixpk= 0, nxpk= 0, iat= 418, 430, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end # # 28 ASP H 30 LEU H 4.73 &rst ixpk= 0, nxpk= 0, iat= 418, 444, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end # # 26 SER HA 28 ASP H 4.92 &rst ixpk= 0, nxpk= 0, iat= 395, 418, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end # # 28 ASP H 28 ASP QB 2.85 &rst ixpk= 0, nxpk= 0, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, igr2= 422, 423, &end # # 28 ASP H 43 VAL QQG 5.19 &rst ixpk= 0, nxpk= 0, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr2= 677, 678, 679, 681, 682, 683, &end # # 28 ASP H 58 ALA QB 5.50 &rst ixpk= 0, nxpk= 0, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 939, 940, 941, &end # # 28 ASP H 45 ILE QD1 5.28 &rst ixpk= 0, nxpk= 0, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84, igr2= 721, 722, 723, &end # # 27 PRO HG3 28 ASP H 4.02 &rst ixpk= 0, nxpk= 0, iat= 409, 418, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end # # 31 ARG QG 32 ARG H 4.88 &rst ixpk= 0, nxpk= 0, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, igr1= 470, 471, &end # # 28 ASP HA 32 ARG H 4.88 &rst ixpk= 0, nxpk= 0, iat= 420, 487, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end # # 29 THR HA 32 ARG H 3.73 &rst ixpk= 0, nxpk= 0, iat= 432, 487, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end # # 32 ARG H 32 ARG QD 4.00 &rst ixpk= 0, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr2= 497, 498, &end # # 32 ARG H 33 VAL QQG 4.37 &rst ixpk= 0, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, igr2= 517, 518, 519, 521, 522, 523, &end # # 32 ARG H 34 PHE H 5.00 &rst ixpk= 0, nxpk= 0, iat= 487, 527, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 30 LEU H 32 ARG H 5.25 &rst ixpk= 0, nxpk= 0, iat= 444, 487, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end # # 31 ARG H 33 VAL H 4.19 &rst ixpk= 0, nxpk= 0, iat= 463, 511, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end # # 33 VAL H 35 GLU H 4.48 &rst ixpk= 0, nxpk= 0, iat= 511, 547, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end # # 30 LEU H 33 VAL H 5.23 &rst ixpk= 0, nxpk= 0, iat= 444, 511, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end # # 33 VAL H 33 VAL HB 3.20 &rst ixpk= 0, nxpk= 0, iat= 511, 515, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end # # 33 VAL H 75 MET QE 5.50 &rst ixpk= 0, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1209,1210,1211, &end # # 33 VAL H 33 VAL QQG 3.99 &rst ixpk= 0, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr2= 517, 518, 519, 521, 522, 523, &end # # 30 LEU QD2 33 VAL H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 457, 458, 459, &end # # 30 LEU QD1 33 VAL H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 453, 454, 455, &end # # 33 VAL H 34 PHE HB2 5.05 &rst ixpk= 0, nxpk= 0, iat= 511, 531, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end # # 32 ARG QB 33 VAL H 3.77 &rst ixpk= 0, nxpk= 0, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, igr1= 491, 492, &end # # 32 ARG QG 33 VAL H 4.19 &rst ixpk= 0, nxpk= 0, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, igr1= 494, 495, &end # # 32 ARG QG 33 VAL H 4.34 &rst ixpk= 0, nxpk= 0, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, igr1= 494, 495, &end # # 42 ASP H 61 ARG H 4.36 &rst ixpk= 0, nxpk= 0, iat= 659, 981, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end # # 42 ASP H 60 VAL QQG 4.68 &rst ixpk= 0, nxpk= 0, iat= 659, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81, igr2= 971, 972, 973, 975, 976, 977, &end # # 41 GLY H 42 ASP H 3.80 &rst ixpk= 0, nxpk= 0, iat= 652, 659, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end # # 42 ASP H 62 PHE HA 5.02 &rst ixpk= 0, nxpk= 0, iat= 659,1007, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end # # 37 TYR H 37 TYR QE 4.18 &rst ixpk= 0, nxpk= 0, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, igr2= 594, 599, &end # # 37 TYR H 37 TYR QD 3.36 &rst ixpk= 0, nxpk= 0, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2= 592, 601, &end # # 34 PHE HA 37 TYR H 4.20 &rst ixpk= 0, nxpk= 0, iat= 529, 584, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 37 TYR H 37 TYR HB3 3.75 &rst ixpk= 0, nxpk= 0, iat= 584, 589, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end # # 37 TYR H 37 TYR HB2 3.64 &rst ixpk= 0, nxpk= 0, iat= 584, 588, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end # # 36 LYS QG 37 TYR H 3.79 &rst ixpk= 0, nxpk= 0, iat= -1, 584, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, igr1= 569, 570, &end # # 41 GLY H 62 PHE HA 3.92 &rst ixpk= 0, nxpk= 0, iat= 652,1007, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end # # 40 VAL QQG 41 GLY H 4.22 &rst ixpk= 0, nxpk= 0, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, igr1= 642, 643, 644, 646, 647, 648, &end # # 40 VAL HA 41 GLY H 3.53 &rst ixpk= 0, nxpk= 0, iat= 638, 652, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end # # 13 MET QE 41 GLY H 4.63 &rst ixpk= 0, nxpk= 0, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1= 187, 188, 189, &end # # 35 GLU H 37 TYR H 4.47 &rst ixpk= 0, nxpk= 0, iat= 547, 584, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end # # 21 LEU H 57 PHE HB2 4.48 &rst ixpk= 0, nxpk= 0, iat= 301, 919, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end # # 21 LEU H 57 PHE HA 4.44 &rst ixpk= 0, nxpk= 0, iat= 301, 917, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end # # 21 LEU H 21 LEU QQD 4.62 &rst ixpk= 0, nxpk= 0, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73, igr2= 310, 311, 312, 314, 315, 316, &end # # 20 ASN H 21 LEU H 3.84 &rst ixpk= 0, nxpk= 0, iat= 287, 301, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end # # 21 LEU H 22 THR H 4.51 &rst ixpk= 0, nxpk= 0, iat= 301, 320, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end # # 20 ASN HA 21 LEU H 3.46 &rst ixpk= 0, nxpk= 0, iat= 289, 301, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end # # 20 ASN HB3 21 LEU H 4.55 &rst ixpk= 0, nxpk= 0, iat= 292, 301, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end # # 21 LEU H 21 LEU HG 4.29 &rst ixpk= 0, nxpk= 0, iat= 301, 308, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end # # 21 LEU H 21 LEU HB2 3.88 &rst ixpk= 0, nxpk= 0, iat= 301, 305, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end # # 21 LEU H 21 LEU HB3 3.70 &rst ixpk= 0, nxpk= 0, iat= 301, 306, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 21 LEU H 21 LEU QQD 3.54 &rst ixpk= 0, nxpk= 0, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr2= 310, 311, 312, 314, 315, 316, &end # # 21 LEU H 25 THR HB 5.50 &rst ixpk= 0, nxpk= 0, iat= 301, 383, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 23 TYR QE 24 ARG H 5.32 &rst ixpk= 0, nxpk= 0, iat= -1, 355, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, igr1= 344, 349, &end # # 23 TYR HB3 24 ARG H 4.61 &rst ixpk= 0, nxpk= 0, iat= 339, 355, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end # # 23 TYR H 24 ARG H 4.35 &rst ixpk= 0, nxpk= 0, iat= 334, 355, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end # # 23 TYR QD 24 ARG H 4.30 &rst ixpk= 0, nxpk= 0, iat= -1, 355, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr1= 342, 351, &end # # 24 ARG H 25 THR HA 5.48 &rst ixpk= 0, nxpk= 0, iat= 355, 381, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end # # 24 ARG H 25 THR HB 5.50 &rst ixpk= 0, nxpk= 0, iat= 355, 383, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 24 ARG H 24 ARG QB 3.64 &rst ixpk= 0, nxpk= 0, iat= 355, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, igr2= 359, 360, &end # # 24 ARG H 25 THR H 3.53 &rst ixpk= 0, nxpk= 0, iat= 355, 379, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end # # 24 ARG H 24 ARG QD 3.80 &rst ixpk= 0, nxpk= 0, iat= 355, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, igr2= 365, 366, &end # # 24 ARG H 24 ARG QB 3.89 &rst ixpk= 0, nxpk= 0, iat= 355, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, igr2= 359, 360, &end # # 22 THR QG2 24 ARG H 4.16 &rst ixpk= 0, nxpk= 0, iat= -1, 355, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 326, 327, 328, &end # # 24 ARG H 24 ARG QG 3.84 &rst ixpk= 0, nxpk= 0, iat= 355, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, igr2= 362, 363, &end # # 48 ASP HA 52 LYS H 4.83 &rst ixpk= 0, nxpk= 0, iat= 767, 836, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end # # 51 THR H 52 LYS H 3.86 &rst ixpk= 0, nxpk= 0, iat= 822, 836, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end # # 48 ASP QB 52 LYS H 3.95 &rst ixpk= 0, nxpk= 0, iat= -1, 836, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, igr1= 769, 770, &end # # 48 ASP QB 52 LYS H 4.43 &rst ixpk= 0, nxpk= 0, iat= -1, 836, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr1= 769, 770, &end # # 52 LYS H 52 LYS QB 4.05 &rst ixpk= 0, nxpk= 0, iat= 836, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, igr2= 840, 841, &end # # 52 LYS H 52 LYS QB 4.07 &rst ixpk= 0, nxpk= 0, iat= 836, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, igr2= 840, 841, &end # # 52 LYS H 52 LYS QD 4.18 &rst ixpk= 0, nxpk= 0, iat= 836, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, igr2= 846, 847, &end # # 52 LYS H 52 LYS QG 4.85 &rst ixpk= 0, nxpk= 0, iat= 836, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, igr2= 843, 844, &end # # 52 LYS H 53 GLU QB 5.50 &rst ixpk= 0, nxpk= 0, iat= 836, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 862, 863, &end # # 57 PHE H 58 ALA HA 4.81 &rst ixpk= 0, nxpk= 0, iat= 915, 937, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end # # 57 PHE H 58 ALA H 4.35 &rst ixpk= 0, nxpk= 0, iat= 915, 935, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end # # 56 GLY H 57 PHE H 3.60 &rst ixpk= 0, nxpk= 0, iat= 908, 915, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 55 ARG H 57 PHE H 5.50 &rst ixpk= 0, nxpk= 0, iat= 884, 915, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 57 PHE H 57 PHE QD 3.62 &rst ixpk= 0, nxpk= 0, iat= 915, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, igr2= 923, 931, &end # # 55 ARG QB 57 PHE H 4.76 &rst ixpk= 0, nxpk= 0, iat= -1, 915, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr1= 888, 889, &end # # 21 LEU QQD 57 PHE H 5.44 &rst ixpk= 0, nxpk= 0, iat= -1, 915, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83, igr1= 310, 311, 312, 314, 315, 316, &end # # 45 ILE QG2 57 PHE H 4.06 &rst ixpk= 0, nxpk= 0, iat= -1, 915, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, igr1= 714, 715, 716, &end # # 21 LEU QQD 57 PHE H 5.23 &rst ixpk= 0, nxpk= 0, iat= -1, 915, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55, igr1= 310, 311, 312, 314, 315, 316, &end # # 45 ILE QD1 57 PHE H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 915, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 721, 722, 723, &end # # 20 ASN H 57 PHE HB2 5.50 &rst ixpk= 0, nxpk= 0, iat= 287, 919, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 88 GLN QB 88 GLN QE2 4.21 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=1400,1401, igr2=1408,1409, &end # # 88 GLN QG 88 GLN QE2 3.97 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1=1403,1404, igr2=1408,1409, &end # # 88 GLN QB 88 GLN QE2 4.76 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=1400,1401, igr2=1408,1409, &end # # 37 TYR QE 75 MET H 4.87 &rst ixpk= 0, nxpk= 0, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, igr1= 594, 599, &end # # 75 MET H 75 MET QB 3.61 &rst ixpk= 0, nxpk= 0, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, igr2=1202,1203, &end # # 71 ALA HA 75 MET H 4.47 &rst ixpk= 0, nxpk= 0, iat=1151,1198, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end # # 75 MET H 75 MET QE 4.89 &rst ixpk= 0, nxpk= 0, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, igr2=1209,1210,1211, &end # # 75 MET H 76 ASP HB3 4.84 &rst ixpk= 0, nxpk= 0, iat=1198,1220, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end # # 72 MET HA 75 MET H 4.26 &rst ixpk= 0, nxpk= 0, iat=1161,1198, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end # # 20 ASN HD22 86 ARG HG3 4.61 &rst ixpk= 0, nxpk= 0, iat= 296,1364, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end # # 20 ASN HD22 85 LEU HA 5.28 &rst ixpk= 0, nxpk= 0, iat= 296,1339, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end # # 20 ASN HB3 20 ASN HD22 3.73 &rst ixpk= 0, nxpk= 0, iat= 292, 296, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end # # 20 ASN HD22 83 ARG QB 4.26 &rst ixpk= 0, nxpk= 0, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, igr2=1302,1303, &end # # 20 ASN HD22 86 ARG HB2 4.59 &rst ixpk= 0, nxpk= 0, iat= 296,1360, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end # # 20 ASN HD22 83 ARG QB 5.22 &rst ixpk= 0, nxpk= 0, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, igr2=1302,1303, &end # # 20 ASN HD21 83 ARG QG 4.68 &rst ixpk= 0, nxpk= 0, iat= 297, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, igr2=1305,1306, &end # # 20 ASN HD21 85 LEU HA 4.69 &rst ixpk= 0, nxpk= 0, iat= 297,1339, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end # # 20 ASN HB3 20 ASN HD21 3.62 &rst ixpk= 0, nxpk= 0, iat= 292, 297, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end # # 20 ASN HB2 20 ASN HD21 3.79 &rst ixpk= 0, nxpk= 0, iat= 291, 297, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end # # 20 ASN HD21 83 ARG QB 4.02 &rst ixpk= 0, nxpk= 0, iat= 297, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, igr2=1302,1303, &end # # 20 ASN HD21 86 ARG HB2 4.38 &rst ixpk= 0, nxpk= 0, iat= 297,1360, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end # # 20 ASN HD21 83 ARG QB 4.66 &rst ixpk= 0, nxpk= 0, iat= 297, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, igr2=1302,1303, &end # # 20 ASN HA 20 ASN HD21 4.36 &rst ixpk= 0, nxpk= 0, iat= 289, 297, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end # # 20 ASN HD21 85 LEU QQD 5.50 &rst ixpk= 0, nxpk= 0, iat= 297, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1346,1347,1348,1350,1351,1352, &end # # 20 ASN HD21 85 LEU QQD 5.50 &rst ixpk= 0, nxpk= 0, iat= 297, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1346,1347,1348,1350,1351,1352, &end # # 21 LEU HA 22 THR H 3.15 &rst ixpk= 0, nxpk= 0, iat= 303, 320, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end # # 21 LEU HB3 22 THR H 4.33 &rst ixpk= 0, nxpk= 0, iat= 306, 320, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end # # 22 THR H 25 THR QG2 4.70 &rst ixpk= 0, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, igr2= 385, 386, 387, &end # # 21 LEU QQD 22 THR H 4.25 &rst ixpk= 0, nxpk= 0, iat= -1, 320, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, igr1= 310, 311, 312, 314, 315, 316, &end # # 21 LEU QQD 22 THR H 5.19 &rst ixpk= 0, nxpk= 0, iat= -1, 320, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 310, 311, 312, 314, 315, 316, &end # # 20 ASN HD21 85 LEU H 4.95 &rst ixpk= 0, nxpk= 0, iat= 297,1337, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end # # 66 ARG H 66 ARG HE 5.50 &rst ixpk= 0, nxpk= 0, iat=1076,1089, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 66 ARG HA 66 ARG HE 5.13 &rst ixpk= 0, nxpk= 0, iat=1078,1089, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end # # 66 ARG QB 66 ARG HE 3.81 &rst ixpk= 0, nxpk= 0, iat= -1,1089, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, igr1=1080,1081, &end # # 66 ARG QG 66 ARG HE 3.47 &rst ixpk= 0, nxpk= 0, iat= -1,1089, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, igr1=1083,1084, &end # # 48 ASP QB 51 THR H 4.50 &rst ixpk= 0, nxpk= 0, iat= -1, 822, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 769, 770, &end # # 51 THR H 51 THR HB 4.21 &rst ixpk= 0, nxpk= 0, iat= 822, 826, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end # # 51 THR H 52 LYS HA 4.83 &rst ixpk= 0, nxpk= 0, iat= 822, 838, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end # # 48 ASP QB 51 THR H 3.96 &rst ixpk= 0, nxpk= 0, iat= -1, 822, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, igr1= 769, 770, &end # # 50 TYR HB3 51 THR H 4.49 &rst ixpk= 0, nxpk= 0, iat= 806, 822, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end # # 24 ARG QB 24 ARG HE 4.87 &rst ixpk= 0, nxpk= 0, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, igr1= 359, 360, &end # # 24 ARG QB 24 ARG HE 4.91 &rst ixpk= 0, nxpk= 0, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, igr1= 359, 360, &end # # 86 ARG HA 86 ARG HE 4.46 &rst ixpk= 0, nxpk= 0, iat=1358,1369, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end # # 86 ARG HB3 86 ARG HE 4.67 &rst ixpk= 0, nxpk= 0, iat=1361,1369, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end # # 3 TYR QD 4 GLY H 4.95 &rst ixpk= 0, nxpk= 0, iat= -1, 53, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1= 40, 49, &end # # 4 GLY H 5 ARG H 3.63 &rst ixpk= 0, nxpk= 0, iat= 53, 60, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end # # 3 TYR H 4 GLY H 3.41 &rst ixpk= 0, nxpk= 0, iat= 32, 53, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 4 GLY H 4 GLY QA 2.64 &rst ixpk= 0, nxpk= 0, iat= 53, -1, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, igr2= 55, 56, &end # # 2 SER QB 4 GLY H 5.12 &rst ixpk= 0, nxpk= 0, iat= -1, 53, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, igr1= 25, 26, &end # # 3 TYR QB 4 GLY H 4.31 &rst ixpk= 0, nxpk= 0, iat= -1, 53, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, igr1= 36, 37, &end # # 3 TYR QB 4 GLY H 4.15 &rst ixpk= 0, nxpk= 0, iat= -1, 53, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr1= 36, 37, &end # # 4 GLY H 5 ARG QG 5.50 &rst ixpk= 0, nxpk= 0, iat= 53, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 67, 68, &end # # 2 SER HA 4 GLY H 5.50 &rst ixpk= 0, nxpk= 0, iat= 23, 53, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 13 MET QE 61 ARG HE 5.45 &rst ixpk= 0, nxpk= 0, iat= -1, 994, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05, igr1= 187, 188, 189, &end # # 83 ARG QB 83 ARG HE 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1311, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1302,1303, &end # # 22 THR QG2 83 ARG HE 5.37 &rst ixpk= 0, nxpk= 0, iat= -1,1311, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95, igr1= 326, 327, 328, &end # # 10 VAL QQG 61 ARG HE 4.97 &rst ixpk= 0, nxpk= 0, iat= -1, 994, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, igr1= 144, 145, 146, 148, 149, 150, &end # # 31 ARG QB 31 ARG HE 4.91 &rst ixpk= 0, nxpk= 0, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, igr1= 467, 468, &end # # 39 ARG QB 39 ARG HE 5.09 &rst ixpk= 0, nxpk= 0, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, igr1= 616, 617, &end # # 31 ARG HE 39 ARG HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 476, 614, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 39 ARG HA 39 ARG HE 5.50 &rst ixpk= 0, nxpk= 0, iat= 614, 625, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 31 ARG HA 31 ARG HE 4.92 &rst ixpk= 0, nxpk= 0, iat= 465, 476, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end # # 31 ARG HE 43 VAL QQG 4.93 &rst ixpk= 0, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15, igr2= 677, 678, 679, 681, 682, 683, &end # # 11 GLU QG 12 GLY H 4.65 &rst ixpk= 0, nxpk= 0, iat= -1, 169, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr1= 161, 162, &end # # 11 GLU QB 12 GLY H 4.02 &rst ixpk= 0, nxpk= 0, iat= -1, 169, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, igr1= 158, 159, &end # # 54 SER QB 56 GLY H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 908, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 877, 878, &end # # 54 SER QB 56 GLY H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 908, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 877, 878, &end # # 34 PHE QE 75 MET QE 3.35 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, igr1= 537, 541, igr2=1209,1210,1211, &end # # 34 PHE HZ 75 MET QE 3.70 &rst ixpk= 0, nxpk= 0, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, igr2=1209,1210,1211, &end # # 33 VAL HA 75 MET QE 5.00 &rst ixpk= 0, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2=1209,1210,1211, &end # # 75 MET QB 75 MET QE 3.21 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, igr1=1202,1203, igr2=1209,1210,1211, &end # # 75 MET QG 75 MET QE 3.48 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, igr1=1205,1206, igr2=1209,1210,1211, &end # # 33 VAL QQG 75 MET QE 3.08 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, igr1= 517, 518, 519, 521, 522, 523, igr2=1209,1210,1211, &end # # 34 PHE QD 75 MET QE 3.85 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr1= 535, 543, igr2=1209,1210,1211, &end # # 33 VAL QQG 75 MET QE 2.44 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, igr1= 517, 518, 519, 521, 522, 523, igr2=1209,1210,1211, &end # # 77 GLY QA 85 LEU QB 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1229,1230, igr2=1341,1342, &end # # 40 VAL QQG 41 GLY QA 4.85 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84, igr1= 642, 643, 644, 646, 647, 648, igr2= 654, 655, &end # # 27 PRO HG3 45 ILE QD1 3.81 &rst ixpk= 0, nxpk= 0, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr2= 721, 722, 723, &end # # 44 TYR HA 45 ILE QD1 5.39 &rst ixpk= 0, nxpk= 0, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, igr2= 721, 722, 723, &end # # 80 LEU QB 81 ASP H 4.59 &rst ixpk= 0, nxpk= 0, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, igr1=1264,1265, &end # # 79 VAL HA 80 LEU QB 5.05 &rst ixpk= 0, nxpk= 0, iat=1246, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr2=1264,1265, &end # # 26 SER HA 45 ILE QD1 3.61 &rst ixpk= 0, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, igr2= 721, 722, 723, &end # # 45 ILE QD1 58 ALA HA 4.00 &rst ixpk= 0, nxpk= 0, iat= -1, 937, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1= 721, 722, 723, &end # # 27 PRO HD3 45 ILE QD1 3.18 &rst ixpk= 0, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, igr2= 721, 722, 723, &end # # 45 ILE H 45 ILE QD1 4.44 &rst ixpk= 0, nxpk= 0, iat= 708, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, igr2= 721, 722, 723, &end # # 27 PRO HG2 45 ILE QD1 4.22 &rst ixpk= 0, nxpk= 0, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, igr2= 721, 722, 723, &end # # 45 ILE HB 45 ILE QD1 3.26 &rst ixpk= 0, nxpk= 0, iat= 712, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, igr2= 721, 722, 723, &end # # 19 ASP QB 20 ASN H 4.14 &rst ixpk= 0, nxpk= 0, iat= -1, 287, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr1= 279, 280, &end # # 19 ASP QB 21 LEU H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 279, 280, &end # # 19 ASP QB 20 ASN HA 4.61 &rst ixpk= 0, nxpk= 0, iat= -1, 289, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, igr1= 279, 280, &end # # 19 ASP QB 86 ARG HB3 4.18 &rst ixpk= 0, nxpk= 0, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, igr1= 279, 280, &end # # 80 LEU QB 80 LEU QQD 3.55 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr1=1264,1265, igr2=1269,1270,1271,1273,1274,1275, &end # # 80 LEU QB 80 LEU QQD 3.63 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, igr1=1264,1265, igr2=1269,1270,1271,1273,1274,1275, &end # # 80 LEU QB 80 LEU QQD 3.53 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr1=1264,1265, igr2=1269,1270,1271,1273,1274,1275, &end # # 19 ASP QB 57 PHE HB2 4.41 &rst ixpk= 0, nxpk= 0, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1= 279, 280, &end # # 19 ASP QB 20 ASN H 4.77 &rst ixpk= 0, nxpk= 0, iat= -1, 287, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, igr1= 279, 280, &end # # 19 ASP QB 21 LEU H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 279, 280, &end # # 19 ASP QB 86 ARG HB2 4.06 &rst ixpk= 0, nxpk= 0, iat= -1,1360, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, igr1= 279, 280, &end # # 13 MET QE 61 ARG QD 4.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 187, 188, 189, igr2= 991, 992, &end # # 8 PRO QG 61 ARG QD 5.04 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85, igr1= 116, 117, igr2= 991, 992, &end # # 64 ASP HB2 66 ARG QG 5.47 &rst ixpk= 0, nxpk= 0, iat=1046, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64, igr2=1083,1084, &end # # 48 ASP QB 52 LYS HA 5.39 &rst ixpk= 0, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, igr1= 769, 770, &end # # 64 ASP HB2 66 ARG H 5.24 &rst ixpk= 0, nxpk= 0, iat=1046,1076, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end # # 64 ASP HB2 67 ASP H 3.93 &rst ixpk= 0, nxpk= 0, iat=1046,1100, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end # # 64 ASP HB3 66 ARG QG 4.49 &rst ixpk= 0, nxpk= 0, iat=1047, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr2=1083,1084, &end # # 64 ASP H 64 ASP HB3 3.48 &rst ixpk= 0, nxpk= 0, iat=1042,1047, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end # # 64 ASP HB3 66 ARG QB 4.73 &rst ixpk= 0, nxpk= 0, iat=1047, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, igr2=1080,1081, &end # # 16 LEU QB 87 VAL QQG 4.39 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14, igr1= 222, 223, igr2=1386,1387,1388,1390,1391,1392, &end # # 24 ARG QB 24 ARG QD 3.16 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, igr1= 359, 360, igr2= 365, 366, &end # # 21 LEU HB2 21 LEU QQD 3.92 &rst ixpk= 0, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr2= 310, 311, 312, 314, 315, 316, &end # # 85 LEU QB 85 LEU QQD 3.82 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, igr1=1341,1342, igr2=1346,1347,1348,1350,1351,1352, &end # # 21 LEU HB3 58 ALA QB 4.87 &rst ixpk= 0, nxpk= 0, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, igr2= 939, 940, 941, &end # # 21 LEU HB3 21 LEU QQD 3.86 &rst ixpk= 0, nxpk= 0, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, igr2= 310, 311, 312, 314, 315, 316, &end # # 39 ARG QD 63 HIS H 5.37 &rst ixpk= 0, nxpk= 0, iat= -1,1025, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr1= 622, 623, &end # # 63 HIS HD2 64 ASP HB2 4.66 &rst ixpk= 0, nxpk= 0, iat=1038,1046, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end # # 64 ASP HB2 68 ALA H 5.39 &rst ixpk= 0, nxpk= 0, iat=1046,1112, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end # # 79 VAL QQG 85 LEU QB 5.19 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35, igr1=1250,1251,1252,1254,1255,1256, igr2=1341,1342, &end # # 29 THR HA 32 ARG QD 3.94 &rst ixpk= 0, nxpk= 0, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, igr2= 497, 498, &end # # 32 ARG QD 33 VAL HA 4.48 &rst ixpk= 0, nxpk= 0, iat= -1, 513, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr1= 497, 498, &end # # 32 ARG QB 32 ARG QD 2.76 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, igr1= 491, 492, igr2= 497, 498, &end # # 32 ARG QD 33 VAL H 4.39 &rst ixpk= 0, nxpk= 0, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, igr1= 497, 498, &end # # 31 ARG QD 40 VAL HB 2.99 &rst ixpk= 0, nxpk= 0, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1= 473, 474, &end # # 39 ARG QG 39 ARG QD 2.41 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, igr1= 619, 620, igr2= 622, 623, &end # # 39 ARG QG 39 ARG QD 2.55 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, igr1= 619, 620, igr2= 622, 623, &end # # 31 ARG QD 35 GLU H 4.23 &rst ixpk= 0, nxpk= 0, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, igr1= 473, 474, &end # # 20 ASN HD21 86 ARG QD 4.66 &rst ixpk= 0, nxpk= 0, iat= 297, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, igr2=1366,1367, &end # # 86 ARG HA 86 ARG QD 3.40 &rst ixpk= 0, nxpk= 0, iat=1358, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, igr2=1366,1367, &end # # 86 ARG HG2 86 ARG QD 2.82 &rst ixpk= 0, nxpk= 0, iat=1363, -1, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, igr2=1366,1367, &end # # 66 ARG QD 67 ASP H 3.95 &rst ixpk= 0, nxpk= 0, iat= -1,1100, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, igr1=1086,1087, &end # # 20 ASN HB3 86 ARG QD 5.26 &rst ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, igr2=1366,1367, &end # # 66 ARG H 66 ARG QD 3.91 &rst ixpk= 0, nxpk= 0, iat=1076, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, igr2=1086,1087, &end # # 32 ARG QG 32 ARG QD 2.54 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, igr1= 494, 495, igr2= 497, 498, &end # # 66 ARG QB 66 ARG QD 2.86 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr1=1080,1081, igr2=1086,1087, &end # # 66 ARG QG 66 ARG QD 2.47 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, igr1=1083,1084, igr2=1086,1087, &end # # 39 ARG QD 64 ASP HB2 4.85 &rst ixpk= 0, nxpk= 0, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, igr1= 622, 623, &end # # 64 ASP HB2 66 ARG QD 5.00 &rst ixpk= 0, nxpk= 0, iat=1046, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2=1086,1087, &end # # 22 THR QG2 24 ARG QD 3.28 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, igr1= 326, 327, 328, igr2= 365, 366, &end # # 49 ARG QD 50 TYR QD 4.80 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, igr1= 787, 788, igr2= 809, 818, &end # # 85 LEU H 86 ARG QD 5.25 &rst ixpk= 0, nxpk= 0, iat=1337, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, igr2=1366,1367, &end # # 31 ARG H 31 ARG QD 5.39 &rst ixpk= 0, nxpk= 0, iat= 463, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, igr2= 473, 474, &end # # 31 ARG QD 35 GLU H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 473, 474, &end # # 31 ARG QD 32 ARG H 4.75 &rst ixpk= 0, nxpk= 0, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, igr1= 473, 474, &end # # 22 THR H 83 ARG QD 3.91 &rst ixpk= 0, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, igr2=1308,1309, &end # # 22 THR HA 83 ARG QD 3.97 &rst ixpk= 0, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, igr2=1308,1309, &end # # 20 ASN HB3 83 ARG QD 4.69 &rst ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, igr2=1308,1309, &end # # 21 LEU QQD 83 ARG QD 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 310, 311, 312, 314, 315, 316, igr2=1308,1309, &end # # 83 ARG QD 85 LEU QQD 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1308,1309, igr2=1346,1347,1348,1350,1351,1352, &end # # 62 PHE HB3 64 ASP HB2 5.50 &rst ixpk= 0, nxpk= 0, iat=1010,1046, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 62 PHE HB3 67 ASP QB 5.50 &rst ixpk= 0, nxpk= 0, iat=1010, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1104,1105, &end # # 52 LYS QG 52 LYS QE 3.35 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, igr1= 843, 844, igr2= 849, 850, &end # # 30 LEU H 30 LEU HB3 3.69 &rst ixpk= 0, nxpk= 0, iat= 444, 449, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end # # 30 LEU H 30 LEU HB2 3.85 &rst ixpk= 0, nxpk= 0, iat= 444, 448, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end # # 25 THR QG2 30 LEU HB2 4.52 &rst ixpk= 0, nxpk= 0, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr1= 385, 386, 387, &end # # 30 LEU HB2 33 VAL QQG 5.11 &rst ixpk= 0, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39, igr2= 517, 518, 519, 521, 522, 523, &end # # 62 PHE HB3 68 ALA HA 4.77 &rst ixpk= 0, nxpk= 0, iat=1010,1114, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end # # 57 PHE HB3 58 ALA H 4.37 &rst ixpk= 0, nxpk= 0, iat= 920, 935, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end # # 30 LEU HB3 34 PHE QD 4.47 &rst ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, igr2= 535, 543, &end # # 25 THR QG2 30 LEU HB3 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 385, 386, 387, &end # # 30 LEU HB3 33 VAL QQG 5.50 &rst ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 517, 518, 519, 521, 522, 523, &end # # 30 LEU HB3 31 ARG H 4.08 &rst ixpk= 0, nxpk= 0, iat= 449, 463, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end # # 30 LEU HB2 34 PHE QD 5.33 &rst ixpk= 0, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, igr2= 535, 543, &end # # 65 LYS QG 65 LYS QE 3.30 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, igr1=1061,1062, igr2=1067,1068, &end # # 36 LYS QE 37 TYR H 4.67 &rst ixpk= 0, nxpk= 0, iat= -1, 584, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, igr1= 575, 576, &end # # 65 LYS HA 65 LYS QE 4.11 &rst ixpk= 0, nxpk= 0, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, igr2=1067,1068, &end # # 65 LYS QE 89 MET QE 2.96 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, igr1=1067,1068, igr2=1424,1425,1426, &end # # 65 LYS HB2 65 LYS QE 3.43 &rst ixpk= 0, nxpk= 0, iat=1058, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, igr2=1067,1068, &end # # 65 LYS QD 65 LYS QE 2.51 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, igr1=1064,1065, igr2=1067,1068, &end # # 36 LYS QE 37 TYR QD 4.29 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, igr1= 575, 576, igr2= 592, 601, &end # # 36 LYS H 36 LYS QE 4.30 &rst ixpk= 0, nxpk= 0, iat= 562, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr2= 575, 576, &end # # 36 LYS QE 37 TYR QE 3.69 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr1= 575, 576, igr2= 594, 599, &end # # 33 VAL HA 36 LYS QE 3.49 &rst ixpk= 0, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, igr2= 575, 576, &end # # 36 LYS QD 36 LYS QE 2.40 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, igr1= 572, 573, igr2= 575, 576, &end # # 36 LYS QG 36 LYS QE 2.73 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, igr1= 569, 570, igr2= 575, 576, &end # # 36 LYS QG 36 LYS QE 3.42 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, igr1= 569, 570, igr2= 575, 576, &end # # 33 VAL QQG 36 LYS QE 4.04 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, igr1= 517, 518, 519, 521, 522, 523, igr2= 575, 576, &end # # 65 LYS QE 69 GLU H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1067,1068, &end # # 72 MET HB2 76 ASP HB2 4.96 &rst ixpk= 0, nxpk= 0, iat=1163,1219, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end # # 28 ASP QB 31 ARG H 5.09 &rst ixpk= 0, nxpk= 0, iat= -1, 463, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, igr1= 422, 423, &end # # 28 ASP QB 30 LEU H 5.13 &rst ixpk= 0, nxpk= 0, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, igr1= 422, 423, &end # # 27 PRO HG2 28 ASP QB 4.49 &rst ixpk= 0, nxpk= 0, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr2= 422, 423, &end # # 96 PRO QG 97 ASP QB 4.68 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, igr1=1534,1535, igr2=1548,1549, &end # # 28 ASP QB 29 THR H 3.06 &rst ixpk= 0, nxpk= 0, iat= -1, 430, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, igr1= 422, 423, &end # # 28 ASP HA 28 ASP QB 2.74 &rst ixpk= 0, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, igr2= 422, 423, &end # # 67 ASP QB 71 ALA QB 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1104,1105, igr2=1153,1154,1155, &end # # 97 ASP QB 99 HIS H 4.57 &rst ixpk= 0, nxpk= 0, iat= -1,1567, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr1=1548,1549, &end # # 64 ASP HB2 67 ASP QB 4.37 &rst ixpk= 0, nxpk= 0, iat=1046, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, igr2=1104,1105, &end # # 73 ASP QB 74 ALA H 4.46 &rst ixpk= 0, nxpk= 0, iat= -1,1188, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, igr1=1180,1181, &end # # 38 GLY H 67 ASP QB 5.09 &rst ixpk= 0, nxpk= 0, iat= 605, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, igr2=1104,1105, &end # # 73 ASP QB 74 ALA H 5.29 &rst ixpk= 0, nxpk= 0, iat= -1,1188, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr1=1180,1181, &end # # 72 MET QG 73 ASP QB 4.66 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, igr1=1166,1167, igr2=1180,1181, &end # # 62 PHE QE 67 ASP QB 4.88 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, igr1=1015,1019, igr2=1104,1105, &end # # 66 ARG QD 67 ASP QB 4.81 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, igr1=1086,1087, igr2=1104,1105, &end # # 27 PRO HG3 28 ASP QB 5.46 &rst ixpk= 0, nxpk= 0, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63, igr2= 422, 423, &end # # 9 ASP QB 11 GLU H 5.34 &rst ixpk= 0, nxpk= 0, iat= -1, 154, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1= 130, 131, &end # # 70 ASP QB 72 MET H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1141,1142, &end # # 70 ASP QB 71 ALA QB 4.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, igr1=1141,1142, igr2=1153,1154,1155, &end # # 8 PRO QG 9 ASP QB 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 116, 117, igr2= 130, 131, &end # # 70 ASP QB 71 ALA H 4.06 &rst ixpk= 0, nxpk= 0, iat= -1,1149, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, igr1=1141,1142, &end # # 81 ASP QB 82 GLY H 4.36 &rst ixpk= 0, nxpk= 0, iat= -1,1291, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, igr1=1283,1284, &end # # 22 THR HB 25 THR H 5.50 &rst ixpk= 0, nxpk= 0, iat= 324, 379, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 18 VAL QQG 34 PHE HB3 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 265, 266, 267, 269, 270, 271, &end # # 37 TYR HB2 71 ALA HA 4.85 &rst ixpk= 0, nxpk= 0, iat= 588,1151, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end # # 45 ILE HB 58 ALA QB 5.25 &rst ixpk= 0, nxpk= 0, iat= 712, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr2= 939, 940, 941, &end # # 22 THR HB 24 ARG QD 4.27 &rst ixpk= 0, nxpk= 0, iat= 324, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, igr2= 365, 366, &end # # 22 THR HB 23 TYR H 4.07 &rst ixpk= 0, nxpk= 0, iat= 324, 334, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end # # 22 THR HB 23 TYR QD 4.64 &rst ixpk= 0, nxpk= 0, iat= 324, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, igr2= 342, 351, &end # # 2 SER HA 3 TYR QB 5.50 &rst ixpk= 0, nxpk= 0, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 36, 37, &end # # 50 TYR HB3 51 THR QG2 4.76 &rst ixpk= 0, nxpk= 0, iat= 806, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, igr2= 828, 829, 830, &end # # 50 TYR HB2 51 THR H 4.44 &rst ixpk= 0, nxpk= 0, iat= 805, 822, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end # # 50 TYR H 50 TYR HB2 4.01 &rst ixpk= 0, nxpk= 0, iat= 801, 805, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end # # 3 TYR H 3 TYR QB 3.92 &rst ixpk= 0, nxpk= 0, iat= 32, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr2= 36, 37, &end # # 3 TYR HA 3 TYR QB 3.01 &rst ixpk= 0, nxpk= 0, iat= 34, -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, igr2= 36, 37, &end # # 51 THR HB 52 LYS H 4.25 &rst ixpk= 0, nxpk= 0, iat= 826, 836, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end # # 51 THR HB 53 GLU H 4.16 &rst ixpk= 0, nxpk= 0, iat= 826, 858, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end # # 51 THR HB 53 GLU QB 5.27 &rst ixpk= 0, nxpk= 0, iat= 826, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, igr2= 862, 863, &end # # 14 THR HB 65 LYS HA 4.20 &rst ixpk= 0, nxpk= 0, iat= 197,1056, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 14 THR HB 16 LEU QB 5.50 &rst ixpk= 0, nxpk= 0, iat= 197, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 222, 223, &end # # 14 THR HB 65 LYS HB2 5.50 &rst ixpk= 0, nxpk= 0, iat= 197,1058, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 14 THR HB 68 ALA QB 3.61 &rst ixpk= 0, nxpk= 0, iat= 197, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, igr2=1116,1117,1118, &end # # 14 THR HB 15 SER H 4.37 &rst ixpk= 0, nxpk= 0, iat= 197, 207, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end # # 14 THR HB 65 LYS HB3 5.23 &rst ixpk= 0, nxpk= 0, iat= 197,1059, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end # # 14 THR HB 89 MET QE 5.43 &rst ixpk= 0, nxpk= 0, iat= 197, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02, igr2=1424,1425,1426, &end # # 20 ASN HB3 21 LEU QQD 4.81 &rst ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98, igr2= 310, 311, 312, 314, 315, 316, &end # # 20 ASN HB3 86 ARG H 4.26 &rst ixpk= 0, nxpk= 0, iat= 292,1356, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end # # 20 ASN HB2 20 ASN HD22 4.07 &rst ixpk= 0, nxpk= 0, iat= 291, 296, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end # # 20 ASN HB2 85 LEU HA 4.34 &rst ixpk= 0, nxpk= 0, iat= 291,1339, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end # # 20 ASN HB2 86 ARG H 4.22 &rst ixpk= 0, nxpk= 0, iat= 291,1356, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end # # 35 GLU QG 40 VAL HB 4.79 &rst ixpk= 0, nxpk= 0, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr1= 554, 555, &end # # 20 ASN HB3 83 ARG QB 4.87 &rst ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, igr2=1302,1303, &end # # 19 ASP HA 20 ASN HB2 5.11 &rst ixpk= 0, nxpk= 0, iat= 277, 291, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end # # 20 ASN HB2 86 ARG HA 5.36 &rst ixpk= 0, nxpk= 0, iat= 291,1358, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end # # 35 GLU QG 40 VAL QQG 3.84 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, igr1= 554, 555, igr2= 642, 643, 644, 646, 647, 648, &end # # 35 GLU H 35 GLU QG 4.52 &rst ixpk= 0, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, igr2= 554, 555, &end # # 35 GLU HA 35 GLU QG 3.93 &rst ixpk= 0, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr2= 554, 555, &end # # 35 GLU QG 40 VAL QQG 4.27 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96, igr1= 554, 555, igr2= 642, 643, 644, 646, 647, 648, &end # # 65 LYS QD 69 GLU HG2 4.99 &rst ixpk= 0, nxpk= 0, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, igr1=1064,1065, &end # # 66 ARG H 69 GLU HG2 5.36 &rst ixpk= 0, nxpk= 0, iat=1076,1129, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end # # 22 THR QG2 23 TYR HB3 5.12 &rst ixpk= 0, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, igr1= 326, 327, 328, &end # # 31 ARG QG 35 GLU QG 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 470, 471, igr2= 554, 555, &end # # 68 ALA H 69 GLU HG2 4.48 &rst ixpk= 0, nxpk= 0, iat=1112,1129, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end # # 69 GLU HA 69 GLU HG2 4.08 &rst ixpk= 0, nxpk= 0, iat=1124,1129, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end # # 69 GLU HA 69 GLU HG3 3.77 &rst ixpk= 0, nxpk= 0, iat=1124,1130, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end # # 29 THR HB 30 LEU QQD 4.48 &rst ixpk= 0, nxpk= 0, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, igr2= 453, 454, 455, 457, 458, 459, &end # # 29 THR HB 30 LEU HB2 4.67 &rst ixpk= 0, nxpk= 0, iat= 434, 448, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end # # 28 ASP QB 29 THR HB 4.87 &rst ixpk= 0, nxpk= 0, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, igr1= 422, 423, &end # # 25 THR HB 29 THR QG2 5.50 &rst ixpk= 0, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 436, 437, 438, &end # # 84 GLU QG 85 LEU H 4.76 &rst ixpk= 0, nxpk= 0, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr1=1329,1330, &end # # 83 ARG HA 84 GLU QG 5.50 &rst ixpk= 0, nxpk= 0, iat=1300, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1329,1330, &end # # 79 VAL H 84 GLU QG 5.50 &rst ixpk= 0, nxpk= 0, iat=1244, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1329,1330, &end # # 79 VAL HB 84 GLU QG 3.62 &rst ixpk= 0, nxpk= 0, iat=1248, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, igr2=1329,1330, &end # # 84 GLU QG 85 LEU QQD 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1329,1330, igr2=1346,1347,1348,1350,1351,1352, &end # # 84 GLU QG 85 LEU QQD 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1329,1330, igr2=1346,1347,1348,1350,1351,1352, &end # # 80 LEU QQD 84 GLU QG 5.05 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, igr1=1269,1270,1271,1273,1274,1275, igr2=1329,1330, &end # # 79 VAL HA 84 GLU QG 4.89 &rst ixpk= 0, nxpk= 0, iat=1246, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, igr2=1329,1330, &end # # 84 GLU H 84 GLU QG 3.92 &rst ixpk= 0, nxpk= 0, iat=1322, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr2=1329,1330, &end # # 84 GLU QG 85 LEU QQD 5.35 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.10, r4= 8.60, igr1=1329,1330, igr2=1346,1347,1348,1350,1351,1352, &end # # 84 GLU QG 85 LEU QQD 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1329,1330, igr2=1346,1347,1348,1350,1351,1352, &end # # 10 VAL H 11 GLU QG 3.95 &rst ixpk= 0, nxpk= 0, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, igr2= 161, 162, &end # # 11 GLU H 11 GLU QG 2.85 &rst ixpk= 0, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, igr2= 161, 162, &end # # 9 ASP HA 11 GLU QG 4.44 &rst ixpk= 0, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, igr2= 161, 162, &end # # 11 GLU QB 11 GLU QG 2.40 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, igr1= 158, 159, igr2= 161, 162, &end # # 10 VAL QQG 11 GLU QG 4.04 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, igr1= 144, 145, 146, 148, 149, 150, igr2= 161, 162, &end # # 11 GLU QG 13 MET H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 176, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 161, 162, &end # # 53 GLU QG 54 SER H 4.02 &rst ixpk= 0, nxpk= 0, iat= -1, 873, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, igr1= 865, 866, &end # # 51 THR HA 53 GLU QG 5.31 &rst ixpk= 0, nxpk= 0, iat= 824, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, igr2= 865, 866, &end # # 53 GLU QG 54 SER H 3.99 &rst ixpk= 0, nxpk= 0, iat= -1, 873, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, igr1= 865, 866, &end # # 79 VAL HA 84 GLU QG 4.34 &rst ixpk= 0, nxpk= 0, iat=1246, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, igr2=1329,1330, &end # # 51 THR HB 53 GLU QG 4.07 &rst ixpk= 0, nxpk= 0, iat= 826, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, igr2= 865, 866, &end # # 52 LYS HA 53 GLU QG 5.50 &rst ixpk= 0, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 865, 866, &end # # 53 GLU QG 54 SER QB 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 865, 866, igr2= 877, 878, &end # # 40 VAL QQG 43 VAL HB 5.43 &rst ixpk= 0, nxpk= 0, iat= -1, 675, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82, igr1= 642, 643, 644, 646, 647, 648, &end # # 27 PRO HA 43 VAL HB 5.50 &rst ixpk= 0, nxpk= 0, iat= 414, 675, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 30 LEU HB3 43 VAL HB 4.58 &rst ixpk= 0, nxpk= 0, iat= 449, 675, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end # # 29 THR HA 32 ARG QG 4.39 &rst ixpk= 0, nxpk= 0, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, igr2= 494, 495, &end # # 29 THR HA 30 LEU QQD 5.46 &rst ixpk= 0, nxpk= 0, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86, igr2= 453, 454, 455, 457, 458, 459, &end # # 28 ASP QB 29 THR HA 4.17 &rst ixpk= 0, nxpk= 0, iat= -1, 432, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, igr1= 422, 423, &end # # 43 VAL HB 60 VAL HB 4.80 &rst ixpk= 0, nxpk= 0, iat= 675, 969, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 18 VAL HB 60 VAL HB 5.50 &rst ixpk= 0, nxpk= 0, iat= 263, 969, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 30 LEU HB3 60 VAL HB 5.50 &rst ixpk= 0, nxpk= 0, iat= 449, 969, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 43 VAL QQG 60 VAL HB 4.99 &rst ixpk= 0, nxpk= 0, iat= -1, 969, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 677, 678, 679, 681, 682, 683, &end # # 18 VAL QQG 60 VAL HB 4.28 &rst ixpk= 0, nxpk= 0, iat= -1, 969, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, igr1= 265, 266, 267, 269, 270, 271, &end # # 13 MET QB 13 MET QE 3.96 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr1= 180, 181, igr2= 187, 188, 189, &end # # 27 PRO HA 30 LEU H 4.59 &rst ixpk= 0, nxpk= 0, iat= 414, 444, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end # # 27 PRO HA 30 LEU QQD 4.23 &rst ixpk= 0, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr2= 453, 454, 455, 457, 458, 459, &end # # 18 VAL HB 60 VAL QQG 5.34 &rst ixpk= 0, nxpk= 0, iat= 263, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, igr2= 971, 972, 973, 975, 976, 977, &end # # 18 VAL HB 60 VAL QQG 5.50 &rst ixpk= 0, nxpk= 0, iat= 263, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 971, 972, 973, 975, 976, 977, &end # # 33 VAL HA 36 LYS H 4.77 &rst ixpk= 0, nxpk= 0, iat= 513, 562, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end # # 33 VAL HA 35 GLU H 4.30 &rst ixpk= 0, nxpk= 0, iat= 513, 547, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end # # 88 GLN QG 88 GLN QE2 3.94 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, igr1=1403,1404, igr2=1408,1409, &end # # 14 THR HA 65 LYS HB2 4.87 &rst ixpk= 0, nxpk= 0, iat= 195,1058, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end # # 88 GLN HA 88 GLN QG 3.68 &rst ixpk= 0, nxpk= 0, iat=1398, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, igr2=1403,1404, &end # # 65 LYS HB3 65 LYS QE 4.50 &rst ixpk= 0, nxpk= 0, iat=1059, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1067,1068, &end # # 16 LEU QQD 72 MET HB2 4.56 &rst ixpk= 0, nxpk= 0, iat= -1,1163, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, igr1= 227, 228, 229, 231, 232, 233, &end # # 40 VAL HB 43 VAL QQG 4.98 &rst ixpk= 0, nxpk= 0, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21, igr2= 677, 678, 679, 681, 682, 683, &end # # 65 LYS HB2 66 ARG H 4.21 &rst ixpk= 0, nxpk= 0, iat=1058,1076, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end # # 65 LYS HB3 65 LYS QD 3.59 &rst ixpk= 0, nxpk= 0, iat=1059, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, igr2=1064,1065, &end # # 64 ASP HA 65 LYS HB2 4.79 &rst ixpk= 0, nxpk= 0, iat=1044,1058, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end # # 72 MET QE 89 MET HG2 2.78 &rst ixpk= 0, nxpk= 0, iat= -1,1420, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, igr1=1170,1171,1172, &end # # 89 MET QB 89 MET HG2 2.88 &rst ixpk= 0, nxpk= 0, iat= -1,1420, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, igr1=1417,1418, &end # # 21 LEU QQD 26 SER QB 5.36 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.11, r4= 8.61, igr1= 310, 311, 312, 314, 315, 316, igr2= 397, 398, &end # # 25 THR HA 29 THR HB 4.30 &rst ixpk= 0, nxpk= 0, iat= 381, 434, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end # # 101 SER H 101 SER QB 3.17 &rst ixpk= 0, nxpk= 0, iat=1601, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, igr2=1605,1606, &end # # 101 SER HA 101 SER QB 2.57 &rst ixpk= 0, nxpk= 0, iat=1603, -1, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, igr2=1605,1606, &end # # 26 SER QB 29 THR H 4.61 &rst ixpk= 0, nxpk= 0, iat= -1, 430, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, igr1= 397, 398, &end # # 26 SER QB 28 ASP H 4.46 &rst ixpk= 0, nxpk= 0, iat= -1, 418, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, igr1= 397, 398, &end # # 26 SER H 26 SER QB 3.96 &rst ixpk= 0, nxpk= 0, iat= 393, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, igr2= 397, 398, &end # # 26 SER QB 27 PRO HG3 5.21 &rst ixpk= 0, nxpk= 0, iat= -1, 409, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, igr1= 397, 398, &end # # 72 MET QE 89 MET HG3 3.59 &rst ixpk= 0, nxpk= 0, iat= -1,1421, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, igr1=1170,1171,1172, &end # # 89 MET HG3 89 MET QE 3.27 &rst ixpk= 0, nxpk= 0, iat=1421, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1424,1425,1426, &end # # 16 LEU QQD 89 MET HG2 3.92 &rst ixpk= 0, nxpk= 0, iat= -1,1420, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr1= 227, 228, 229, 231, 232, 233, &end # # 89 MET HA 89 MET HG2 4.03 &rst ixpk= 0, nxpk= 0, iat=1415,1420, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end # # 86 ARG H 86 ARG HB2 4.14 &rst ixpk= 0, nxpk= 0, iat=1356,1360, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end # # 26 SER QB 45 ILE QD1 5.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1= 397, 398, igr2= 721, 722, 723, &end # # 19 ASP H 86 ARG HB2 4.40 &rst ixpk= 0, nxpk= 0, iat= 275,1360, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 86 ARG HB2 87 VAL H 4.65 &rst ixpk= 0, nxpk= 0, iat=1360,1380, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end # # 86 ARG HB2 86 ARG QD 3.75 &rst ixpk= 0, nxpk= 0, iat=1360, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, igr2=1366,1367, &end # # 86 ARG HB3 86 ARG QD 3.92 &rst ixpk= 0, nxpk= 0, iat=1361, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr2=1366,1367, &end # # 86 ARG H 86 ARG HB3 4.18 &rst ixpk= 0, nxpk= 0, iat=1356,1361, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end # # 86 ARG HB3 87 VAL H 4.39 &rst ixpk= 0, nxpk= 0, iat=1361,1380, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end # # 19 ASP H 86 ARG HB3 4.82 &rst ixpk= 0, nxpk= 0, iat= 275,1361, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end # # 19 ASP QB 86 ARG HB3 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 279, 280, &end # # 10 VAL HB 13 MET H 5.50 &rst ixpk= 0, nxpk= 0, iat= 142, 176, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 30 LEU H 33 VAL HB 5.50 &rst ixpk= 0, nxpk= 0, iat= 444, 515, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 30 LEU HA 33 VAL HB 4.25 &rst ixpk= 0, nxpk= 0, iat= 446, 515, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end # # 33 VAL HB 34 PHE QD 3.65 &rst ixpk= 0, nxpk= 0, iat= 515, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, igr2= 535, 543, &end # # 2 SER QB 3 TYR QB 4.65 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, igr1= 25, 26, igr2= 36, 37, &end # # 98 SER QB 99 HIS H 5.02 &rst ixpk= 0, nxpk= 0, iat= -1,1567, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, igr1=1560,1561, &end # # 2 SER QB 3 TYR QD 3.82 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, igr1= 25, 26, igr2= 40, 49, &end # # 2 SER H 2 SER QB 3.07 &rst ixpk= 0, nxpk= 0, iat= 21, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, igr2= 25, 26, &end # # 2 SER QB 3 TYR QE 5.25 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 25, 26, igr2= 42, 47, &end # # 95 PRO HA 96 PRO QB 4.71 &rst ixpk= 0, nxpk= 0, iat=1526, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, igr2=1537,1538, &end # # 8 PRO QB 10 VAL H 4.66 &rst ixpk= 0, nxpk= 0, iat= -1, 138, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, igr1= 119, 120, &end # # 36 LYS HB3 36 LYS QE 4.01 &rst ixpk= 0, nxpk= 0, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr2= 575, 576, &end # # 36 LYS HB2 36 LYS QE 4.34 &rst ixpk= 0, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, igr2= 575, 576, &end # # 36 LYS HB2 37 TYR H 3.99 &rst ixpk= 0, nxpk= 0, iat= 566, 584, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end # # 36 LYS H 36 LYS HB2 3.70 &rst ixpk= 0, nxpk= 0, iat= 562, 566, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 98 SER H 98 SER QB 3.61 &rst ixpk= 0, nxpk= 0, iat=1556, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, igr2=1560,1561, &end # # 10 VAL HB 11 GLU H 4.59 &rst ixpk= 0, nxpk= 0, iat= 142, 154, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end # # 36 LYS HB3 37 TYR H 4.12 &rst ixpk= 0, nxpk= 0, iat= 567, 584, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end # # 16 LEU QQD 89 MET QB 4.20 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85, igr1= 227, 228, 229, 231, 232, 233, igr2=1417,1418, &end # # 36 LYS HB2 37 TYR QD 5.41 &rst ixpk= 0, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2= 592, 601, &end # # 53 GLU H 53 GLU QB 4.04 &rst ixpk= 0, nxpk= 0, iat= 858, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr2= 862, 863, &end # # 53 GLU QB 54 SER H 4.18 &rst ixpk= 0, nxpk= 0, iat= -1, 873, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, igr1= 862, 863, &end # # 89 MET QB 90 ALA H 4.46 &rst ixpk= 0, nxpk= 0, iat= -1,1430, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, igr1=1417,1418, &end # # 34 PHE HA 36 LYS QE 4.58 &rst ixpk= 0, nxpk= 0, iat= 529, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr2= 575, 576, &end # # 34 PHE HA 62 PHE HZ 4.76 &rst ixpk= 0, nxpk= 0, iat= 529,1017, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end # # 95 PRO HA 96 PRO HA 4.56 &rst ixpk= 0, nxpk= 0, iat=1526,1540, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end # # 96 PRO HA 97 ASP HA 4.90 &rst ixpk= 0, nxpk= 0, iat=1540,1546, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 16 LEU QQD 72 MET QG 4.78 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73, igr1= 227, 228, 229, 231, 232, 233, igr2=1166,1167, &end # # 72 MET QG 72 MET QE 3.75 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr1=1166,1167, igr2=1170,1171,1172, &end # # 34 PHE HA 37 TYR HB2 4.71 &rst ixpk= 0, nxpk= 0, iat= 529, 588, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end # # 95 PRO QB 96 PRO HA 4.75 &rst ixpk= 0, nxpk= 0, iat= -1,1540, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, igr1=1523,1524, &end # # 8 PRO HA 10 VAL H 4.95 &rst ixpk= 0, nxpk= 0, iat= 122, 138, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end # # 72 MET QG 87 VAL QQG 4.19 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84, igr1=1166,1167, igr2=1386,1387,1388,1390,1391,1392, &end # # 72 MET QG 73 ASP QB 4.49 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, igr1=1166,1167, igr2=1180,1181, &end # # 8 PRO HA 9 ASP QB 5.02 &rst ixpk= 0, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, igr2= 130, 131, &end # # 8 PRO HA 10 VAL QQG 5.50 &rst ixpk= 0, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 144, 145, 146, 148, 149, 150, &end # # 8 PRO HA 9 ASP H 2.86 &rst ixpk= 0, nxpk= 0, iat= 122, 126, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end # # 8 PRO HA 9 ASP QB 5.42 &rst ixpk= 0, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, igr2= 130, 131, &end # # 33 VAL QQG 34 PHE HA 4.72 &rst ixpk= 0, nxpk= 0, iat= -1, 529, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 517, 518, 519, 521, 522, 523, &end # # 34 PHE HA 36 LYS QG 4.92 &rst ixpk= 0, nxpk= 0, iat= 529, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, igr2= 569, 570, &end # # 39 ARG QB 40 VAL H 4.15 &rst ixpk= 0, nxpk= 0, iat= -1, 636, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr1= 616, 617, &end # # 48 ASP QB 51 THR HA 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 824, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 769, 770, &end # # 51 THR HA 52 LYS QE 5.50 &rst ixpk= 0, nxpk= 0, iat= 824, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 849, 850, &end # # 32 ARG H 32 ARG QB 3.00 &rst ixpk= 0, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, igr2= 491, 492, &end # # 39 ARG QB 39 ARG QD 3.62 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, igr1= 616, 617, igr2= 622, 623, &end # # 32 ARG QB 33 VAL QQG 4.64 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52, igr1= 491, 492, igr2= 517, 518, 519, 521, 522, 523, &end # # 50 TYR HB2 51 THR HA 4.86 &rst ixpk= 0, nxpk= 0, iat= 805, 824, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end # # 40 VAL HA 41 GLY QA 4.66 &rst ixpk= 0, nxpk= 0, iat= 638, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, igr2= 654, 655, &end # # 51 THR HA 51 THR HB 2.69 &rst ixpk= 0, nxpk= 0, iat= 824, 826, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19, &end # # 40 VAL HA 63 HIS H 5.50 &rst ixpk= 0, nxpk= 0, iat= 638,1025, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 28 ASP QB 32 ARG QB 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 422, 423, igr2= 491, 492, &end # # 79 VAL HA 84 GLU QB 4.12 &rst ixpk= 0, nxpk= 0, iat=1246, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, igr2=1326,1327, &end # # 8 PRO QG 10 VAL HA 5.33 &rst ixpk= 0, nxpk= 0, iat= -1, 140, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, igr1= 116, 117, &end # # 51 THR HA 53 GLU QB 5.50 &rst ixpk= 0, nxpk= 0, iat= 824, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 862, 863, &end # # 63 HIS HB3 64 ASP H 4.25 &rst ixpk= 0, nxpk= 0, iat=1030,1042, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end # # 79 VAL QQG 84 GLU QB 4.16 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79, igr1=1250,1251,1252,1254,1255,1256, igr2=1326,1327, &end # # 80 LEU QQD 84 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=1269,1270,1271,1273,1274,1275, igr2=1326,1327, &end # # 10 VAL HA 10 VAL QQG 3.17 &rst ixpk= 0, nxpk= 0, iat= 140, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, igr2= 144, 145, 146, 148, 149, 150, &end # # 83 ARG HA 84 GLU QB 4.68 &rst ixpk= 0, nxpk= 0, iat=1300, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, igr2=1326,1327, &end # # 95 PRO HA 96 PRO QD 3.05 &rst ixpk= 0, nxpk= 0, iat=1526, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, igr2=1531,1532, &end # # 18 VAL QQG 60 VAL HA 5.19 &rst ixpk= 0, nxpk= 0, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 265, 266, 267, 269, 270, 271, &end # # 9 ASP HA 10 VAL HA 4.90 &rst ixpk= 0, nxpk= 0, iat= 128, 140, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 99 HIS QB 99 HIS HD2 3.08 &rst ixpk= 0, nxpk= 0, iat= -1,1580, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, igr1=1571,1572, &end # # 95 PRO HA 96 PRO QD 3.00 &rst ixpk= 0, nxpk= 0, iat=1526, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, igr2=1531,1532, &end # # 18 VAL HB 87 VAL HA 5.33 &rst ixpk= 0, nxpk= 0, iat= 263,1382, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end # # 7 PRO HA 10 VAL QQG 5.50 &rst ixpk= 0, nxpk= 0, iat= 108, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 144, 145, 146, 148, 149, 150, &end # # 7 PRO HA 10 VAL QQG 5.50 &rst ixpk= 0, nxpk= 0, iat= 108, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 144, 145, 146, 148, 149, 150, &end # # 6 PRO HA 7 PRO QD 3.97 &rst ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, igr2= 99, 100, &end # # 31 ARG HA 34 PHE H 4.33 &rst ixpk= 0, nxpk= 0, iat= 465, 527, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end # # 10 VAL QQG 11 GLU QB 4.58 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 144, 145, 146, 148, 149, 150, igr2= 158, 159, &end # # 66 ARG HA 69 GLU QB 4.43 &rst ixpk= 0, nxpk= 0, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr2=1126,1127, &end # # 21 LEU H 22 THR HA 5.44 &rst ixpk= 0, nxpk= 0, iat= 301, 322, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end # # 31 ARG HA 33 VAL H 4.51 &rst ixpk= 0, nxpk= 0, iat= 465, 511, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end # # 31 ARG HA 40 VAL QQG 3.98 &rst ixpk= 0, nxpk= 0, iat= 465, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr2= 642, 643, 644, 646, 647, 648, &end # # 31 ARG HA 60 VAL QQG 4.82 &rst ixpk= 0, nxpk= 0, iat= 465, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2= 971, 972, 973, 975, 976, 977, &end # # 31 ARG HA 60 VAL QQG 5.12 &rst ixpk= 0, nxpk= 0, iat= 465, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, igr2= 971, 972, 973, 975, 976, 977, &end # # 31 ARG HA 31 ARG QG 3.89 &rst ixpk= 0, nxpk= 0, iat= 465, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, igr2= 470, 471, &end # # 18 VAL HA 86 ARG H 5.48 &rst ixpk= 0, nxpk= 0, iat= 261,1356, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end # # 30 LEU H 31 ARG HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 444, 465, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 31 ARG HA 31 ARG QD 4.21 &rst ixpk= 0, nxpk= 0, iat= 465, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr2= 473, 474, &end # # 36 LYS H 36 LYS QD 4.40 &rst ixpk= 0, nxpk= 0, iat= 562, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, igr2= 572, 573, &end # # 36 LYS HB2 36 LYS QD 3.31 &rst ixpk= 0, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, igr2= 572, 573, &end # # 33 VAL QQG 36 LYS QD 4.65 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54, igr1= 517, 518, 519, 521, 522, 523, igr2= 572, 573, &end # # 52 LYS HA 52 LYS QD 3.97 &rst ixpk= 0, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, igr2= 846, 847, &end # # 35 GLU HB3 36 LYS HA 4.78 &rst ixpk= 0, nxpk= 0, iat= 552, 564, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end # # 65 LYS HA 67 ASP H 4.64 &rst ixpk= 0, nxpk= 0, iat=1056,1100, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end # # 65 LYS HA 65 LYS QD 4.12 &rst ixpk= 0, nxpk= 0, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, igr2=1064,1065, &end # # 65 LYS HA 69 GLU H 4.74 &rst ixpk= 0, nxpk= 0, iat=1056,1122, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end # # 69 GLU HA 72 MET QG 3.84 &rst ixpk= 0, nxpk= 0, iat=1124, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, igr2=1166,1167, &end # # 72 MET HA 72 MET QG 4.04 &rst ixpk= 0, nxpk= 0, iat=1161, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr2=1166,1167, &end # # 32 ARG H 32 ARG QG 4.40 &rst ixpk= 0, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, igr2= 494, 495, &end # # 31 ARG QG 43 VAL QQG 3.79 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, igr1= 470, 471, igr2= 677, 678, 679, 681, 682, 683, &end # # 15 SER H 63 HIS HA 4.68 &rst ixpk= 0, nxpk= 0, iat= 207,1027, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end # # 69 GLU HA 70 ASP HA 5.15 &rst ixpk= 0, nxpk= 0, iat=1124,1139, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end # # 68 ALA HA 69 GLU HA 4.80 &rst ixpk= 0, nxpk= 0, iat=1114,1124, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 69 GLU HA 73 ASP H 4.80 &rst ixpk= 0, nxpk= 0, iat=1124,1176, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 72 MET HA 87 VAL QQG 3.32 &rst ixpk= 0, nxpk= 0, iat=1161, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, igr2=1386,1387,1388,1390,1391,1392, &end # # 14 THR H 63 HIS HA 4.51 &rst ixpk= 0, nxpk= 0, iat= 193,1027, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end # # 32 ARG HA 32 ARG QG 4.21 &rst ixpk= 0, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr2= 494, 495, &end # # 96 PRO QG 97 ASP HA 4.71 &rst ixpk= 0, nxpk= 0, iat= -1,1546, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, igr1=1534,1535, &end # # 95 PRO HA 96 PRO QG 4.17 &rst ixpk= 0, nxpk= 0, iat=1526, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, igr2=1534,1535, &end # # 22 THR QG2 23 TYR HA 5.04 &rst ixpk= 0, nxpk= 0, iat= -1, 336, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, igr1= 326, 327, 328, &end # # 23 TYR HA 23 TYR QD 3.80 &rst ixpk= 0, nxpk= 0, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, igr2= 342, 351, &end # # 32 ARG HA 35 GLU QG 4.32 &rst ixpk= 0, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr2= 554, 555, &end # # 66 ARG QB 66 ARG QG 2.69 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, igr1=1080,1081, igr2=1083,1084, &end # # 86 ARG HB2 86 ARG HG3 2.63 &rst ixpk= 0, nxpk= 0, iat=1360,1364, r1= 1.30, r2= 1.80, r3= 2.63, r4= 3.13, &end # # 21 LEU QQD 30 LEU QQD 3.07 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr1= 310, 311, 312, 314, 315, 316, igr2= 453, 454, 455, 457, 458, 459, &end # # 21 LEU QQD 60 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= 310, 311, 312, 314, 315, 316, igr2= 971, 972, 973, 975, 976, 977, &end # # 21 LEU QQD 57 PHE HA 3.95 &rst ixpk= 0, nxpk= 0, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, igr1= 310, 311, 312, 314, 315, 316, &end # # 21 LEU QQD 58 ALA HA 4.83 &rst ixpk= 0, nxpk= 0, iat= -1, 937, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, igr1= 310, 311, 312, 314, 315, 316, &end # # 23 TYR HA 25 THR H 4.22 &rst ixpk= 0, nxpk= 0, iat= 336, 379, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end # # 36 LYS QG 37 TYR HA 4.26 &rst ixpk= 0, nxpk= 0, iat= -1, 586, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, igr1= 569, 570, &end # # 36 LYS H 37 TYR HA 5.24 &rst ixpk= 0, nxpk= 0, iat= 562, 586, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end # # 84 GLU H 86 ARG HG2 5.43 &rst ixpk= 0, nxpk= 0, iat=1322,1363, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end # # 20 ASN HD22 86 ARG HG2 4.79 &rst ixpk= 0, nxpk= 0, iat= 296,1363, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end # # 37 TYR HA 37 TYR QD 3.38 &rst ixpk= 0, nxpk= 0, iat= 586, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, igr2= 592, 601, &end # # 66 ARG HA 66 ARG QD 4.00 &rst ixpk= 0, nxpk= 0, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr2=1086,1087, &end # # 85 LEU QQD 86 ARG HG2 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1363, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1346,1347,1348,1350,1351,1352, &end # # 85 LEU QQD 86 ARG HG2 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1363, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1346,1347,1348,1350,1351,1352, &end # # 16 LEU QQD 62 PHE QD 4.10 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, igr1= 227, 228, 229, 231, 232, 233, igr2=1013,1021, &end # # 16 LEU QQD 34 PHE QE 4.16 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79, igr1= 227, 228, 229, 231, 232, 233, igr2= 537, 541, &end # # 16 LEU QB 16 LEU QQD 3.54 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, igr1= 222, 223, igr2= 227, 228, 229, 231, 232, 233, &end # # 16 LEU QQD 87 VAL HB 4.82 &rst ixpk= 0, nxpk= 0, iat= -1,1384, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1= 227, 228, 229, 231, 232, 233, &end # # 98 SER HA 98 SER QB 2.63 &rst ixpk= 0, nxpk= 0, iat=1558, -1, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, igr2=1560,1561, &end # # 97 ASP QB 98 SER HA 4.87 &rst ixpk= 0, nxpk= 0, iat= -1,1558, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, igr1=1548,1549, &end # # 10 VAL QQG 11 GLU HA 3.67 &rst ixpk= 0, nxpk= 0, iat= -1, 156, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1= 144, 145, 146, 148, 149, 150, &end # # 11 GLU HA 11 GLU QB 2.74 &rst ixpk= 0, nxpk= 0, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, igr2= 158, 159, &end # # 58 ALA QB 59 PHE QB 5.44 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83, igr1= 939, 940, 941, igr2= 949, 950, &end # # 2 SER HA 3 TYR QD 3.75 &rst ixpk= 0, nxpk= 0, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, igr2= 40, 49, &end # # 97 ASP H 98 SER HA 5.14 &rst ixpk= 0, nxpk= 0, iat=1544,1558, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end # # 35 GLU H 36 LYS HA 5.15 &rst ixpk= 0, nxpk= 0, iat= 547, 564, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end # # 36 LYS HA 37 TYR QD 5.38 &rst ixpk= 0, nxpk= 0, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, igr2= 592, 601, &end # # 36 LYS HA 38 GLY H 4.20 &rst ixpk= 0, nxpk= 0, iat= 564, 605, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 36 LYS HA 36 LYS HB2 2.98 &rst ixpk= 0, nxpk= 0, iat= 564, 566, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end # # 46 PRO QD 58 ALA QB 5.14 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 728, 729, igr2= 939, 940, 941, &end # # 45 ILE HA 45 ILE QD1 4.00 &rst ixpk= 0, nxpk= 0, iat= 710, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr2= 721, 722, 723, &end # # 11 GLU HA 13 MET H 4.92 &rst ixpk= 0, nxpk= 0, iat= 156, 176, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end # # 36 LYS HA 37 TYR HA 4.95 &rst ixpk= 0, nxpk= 0, iat= 564, 586, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end # # 35 GLU HA 37 TYR H 4.35 &rst ixpk= 0, nxpk= 0, iat= 549, 584, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end # # 35 GLU HA 36 LYS HA 4.91 &rst ixpk= 0, nxpk= 0, iat= 549, 564, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end # # 30 LEU HA 33 VAL QQG 4.13 &rst ixpk= 0, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr2= 517, 518, 519, 521, 522, 523, &end # # 35 GLU HA 40 VAL HB 4.78 &rst ixpk= 0, nxpk= 0, iat= 549, 640, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end # # 28 ASP HA 30 LEU H 5.16 &rst ixpk= 0, nxpk= 0, iat= 420, 444, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end # # 76 ASP HA 86 ARG H 5.44 &rst ixpk= 0, nxpk= 0, iat=1217,1356, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end # # 39 ARG HA 40 VAL QQG 3.95 &rst ixpk= 0, nxpk= 0, iat= 614, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, igr2= 642, 643, 644, 646, 647, 648, &end # # 30 LEU HA 60 VAL QQG 4.76 &rst ixpk= 0, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92, igr2= 971, 972, 973, 975, 976, 977, &end # # 39 ARG HA 40 VAL HA 4.73 &rst ixpk= 0, nxpk= 0, iat= 614, 638, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end # # 72 MET HA 76 ASP HA 5.11 &rst ixpk= 0, nxpk= 0, iat=1161,1217, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end # # 29 THR QG2 30 LEU HA 3.77 &rst ixpk= 0, nxpk= 0, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1= 436, 437, 438, &end # # 30 LEU HA 30 LEU HG 3.95 &rst ixpk= 0, nxpk= 0, iat= 446, 451, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end # # 85 LEU HA 85 LEU QQD 3.86 &rst ixpk= 0, nxpk= 0, iat=1339, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, igr2=1346,1347,1348,1350,1351,1352, &end # # 85 LEU QB 85 LEU QQD 3.59 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr1=1341,1342, igr2=1346,1347,1348,1350,1351,1352, &end # # 75 MET QG 85 LEU QQD 3.72 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, igr1=1205,1206, igr2=1346,1347,1348,1350,1351,1352, &end # # 84 GLU QB 85 LEU QQD 4.08 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1326,1327, igr2=1346,1347,1348,1350,1351,1352, &end # # 75 MET HA 85 LEU QQD 4.16 &rst ixpk= 0, nxpk= 0, iat=1200, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2=1346,1347,1348,1350,1351,1352, &end # # 40 VAL QQG 62 PHE HA 4.78 &rst ixpk= 0, nxpk= 0, iat= -1,1007, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94, igr1= 642, 643, 644, 646, 647, 648, &end # # 39 ARG HA 39 ARG QD 4.53 &rst ixpk= 0, nxpk= 0, iat= 614, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr2= 622, 623, &end # # 70 ASP HA 72 MET H 4.23 &rst ixpk= 0, nxpk= 0, iat=1139,1159, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end # # 48 ASP HA 52 LYS HA 5.46 &rst ixpk= 0, nxpk= 0, iat= 767, 838, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end # # 34 PHE HZ 85 LEU QQD 3.82 &rst ixpk= 0, nxpk= 0, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, igr2=1346,1347,1348,1350,1351,1352, &end # # 79 VAL HA 85 LEU QQD 3.84 &rst ixpk= 0, nxpk= 0, iat=1246, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, igr2=1346,1347,1348,1350,1351,1352, &end # # 13 MET QE 62 PHE HA 4.75 &rst ixpk= 0, nxpk= 0, iat= -1,1007, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr1= 187, 188, 189, &end # # 62 PHE HA 68 ALA QB 4.81 &rst ixpk= 0, nxpk= 0, iat=1007, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, igr2=1116,1117,1118, &end # # 70 ASP HA 73 ASP H 4.00 &rst ixpk= 0, nxpk= 0, iat=1139,1176, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 70 ASP HA 73 ASP QB 3.53 &rst ixpk= 0, nxpk= 0, iat=1139, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr2=1180,1181, &end # # 67 ASP HA 70 ASP QB 3.79 &rst ixpk= 0, nxpk= 0, iat=1102, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, igr2=1141,1142, &end # # 39 ARG HA 40 VAL QQG 5.48 &rst ixpk= 0, nxpk= 0, iat= 614, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2= 642, 643, 644, 646, 647, 648, &end # # 70 ASP HA 71 ALA QB 5.15 &rst ixpk= 0, nxpk= 0, iat=1139, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68, igr2=1153,1154,1155, &end # # 48 ASP QB 52 LYS HA 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 769, 770, &end # # 52 LYS HA 52 LYS QE 5.50 &rst ixpk= 0, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 849, 850, &end # # 67 ASP HA 71 ALA QB 4.66 &rst ixpk= 0, nxpk= 0, iat=1102, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, igr2=1153,1154,1155, &end # # 67 ASP HA 70 ASP H 3.88 &rst ixpk= 0, nxpk= 0, iat=1102,1137, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end # # 37 TYR QD 67 ASP HA 5.32 &rst ixpk= 0, nxpk= 0, iat= -1,1102, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, igr1= 592, 601, &end # # 73 ASP HA 74 ALA QB 4.99 &rst ixpk= 0, nxpk= 0, iat=1178, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2=1192,1193,1194, &end # # 66 ARG H 67 ASP HA 5.48 &rst ixpk= 0, nxpk= 0, iat=1076,1102, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end # # 62 PHE QE 87 VAL QQG 4.66 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55, igr1=1015,1019, igr2=1386,1387,1388,1390,1391,1392, &end # # 72 MET H 73 ASP HA 5.28 &rst ixpk= 0, nxpk= 0, iat=1159,1178, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end # # 52 LYS HA 52 LYS QG 4.16 &rst ixpk= 0, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, igr2= 843, 844, &end # # 72 MET HB3 87 VAL QQG 3.88 &rst ixpk= 0, nxpk= 0, iat=1164, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, igr2=1386,1387,1388,1390,1391,1392, &end # # 87 VAL QQG 88 GLN H 3.71 &rst ixpk= 0, nxpk= 0, iat= -1,1396, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1=1386,1387,1388,1390,1391,1392, &end # # 72 MET HB2 87 VAL QQG 3.78 &rst ixpk= 0, nxpk= 0, iat=1163, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, igr2=1386,1387,1388,1390,1391,1392, &end # # 59 PHE HA 59 PHE QR 4.24 &rst ixpk= 0, nxpk= 0, iat= 947, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr2= 953, 961, 955, 959, &end # # 58 ALA QB 59 PHE HA 4.84 &rst ixpk= 0, nxpk= 0, iat= -1, 947, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, igr1= 939, 940, 941, &end # # 18 VAL QQG 59 PHE HA 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 947, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 265, 266, 267, 269, 270, 271, &end # # 30 LEU QQD 59 PHE HA 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 947, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 453, 454, 455, 457, 458, 459, &end # # 65 LYS QG 65 LYS QE 3.51 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, igr1=1061,1062, igr2=1067,1068, &end # # 52 LYS QG 52 LYS QE 3.62 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, igr1= 843, 844, igr2= 849, 850, &end # # 65 LYS H 65 LYS QG 4.74 &rst ixpk= 0, nxpk= 0, iat=1054, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, igr2=1061,1062, &end # # 87 VAL H 87 VAL QQG 4.07 &rst ixpk= 0, nxpk= 0, iat=1380, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, igr2=1386,1387,1388,1390,1391,1392, &end # # 34 PHE QE 87 VAL QQG 3.70 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, igr1= 537, 541, igr2=1386,1387,1388,1390,1391,1392, &end # # 60 VAL QQG 87 VAL QQG 5.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59, igr1= 971, 972, 973, 975, 976, 977, igr2=1386,1387,1388,1390,1391,1392, &end # # 36 LYS QG 37 TYR HA 4.70 &rst ixpk= 0, nxpk= 0, iat= -1, 586, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr1= 569, 570, &end # # 21 LEU HA 21 LEU QQD 3.34 &rst ixpk= 0, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr2= 310, 311, 312, 314, 315, 316, &end # # 84 GLU HA 84 GLU QB 2.91 &rst ixpk= 0, nxpk= 0, iat=1324, -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, igr2=1326,1327, &end # # 55 ARG HA 57 PHE H 5.31 &rst ixpk= 0, nxpk= 0, iat= 886, 915, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end # # 36 LYS H 36 LYS QG 3.80 &rst ixpk= 0, nxpk= 0, iat= 562, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, igr2= 569, 570, &end # # 79 VAL HA 80 LEU QQD 3.90 &rst ixpk= 0, nxpk= 0, iat=1246, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, igr2=1269,1270,1271,1273,1274,1275, &end # # 30 LEU QQD 31 ARG H 4.36 &rst ixpk= 0, nxpk= 0, iat= -1, 463, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1= 453, 454, 455, 457, 458, 459, &end # # 30 LEU QQD 60 VAL H 4.77 &rst ixpk= 0, nxpk= 0, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93, igr1= 453, 454, 455, 457, 458, 459, &end # # 30 LEU QQD 34 PHE QD 3.43 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr1= 453, 454, 455, 457, 458, 459, igr2= 535, 543, &end # # 30 LEU H 30 LEU QQD 3.52 &rst ixpk= 0, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, igr2= 453, 454, 455, 457, 458, 459, &end # # 30 LEU QQD 34 PHE QE 3.25 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr1= 453, 454, 455, 457, 458, 459, igr2= 537, 541, &end # # 30 LEU HA 30 LEU QQD 3.04 &rst ixpk= 0, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, igr2= 453, 454, 455, 457, 458, 459, &end # # 30 LEU QQD 33 VAL HB 4.59 &rst ixpk= 0, nxpk= 0, iat= -1, 515, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69, igr1= 453, 454, 455, 457, 458, 459, &end # # 30 LEU QQD 58 ALA H 4.98 &rst ixpk= 0, nxpk= 0, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21, igr1= 453, 454, 455, 457, 458, 459, &end # # 80 LEU QQD 81 ASP H 3.26 &rst ixpk= 0, nxpk= 0, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, igr1=1269,1270,1271,1273,1274,1275, &end # # 80 LEU H 80 LEU QQD 3.74 &rst ixpk= 0, nxpk= 0, iat=1260, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr2=1269,1270,1271,1273,1274,1275, &end # # 80 LEU QQD 83 ARG H 4.90 &rst ixpk= 0, nxpk= 0, iat= -1,1298, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1269,1270,1271,1273,1274,1275, &end # # 80 LEU QQD 81 ASP QB 4.19 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84, igr1=1269,1270,1271,1273,1274,1275, igr2=1283,1284, &end # # 80 LEU QQD 81 ASP QB 3.69 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr1=1269,1270,1271,1273,1274,1275, igr2=1283,1284, &end # # 88 GLN QB 89 MET HA 4.78 &rst ixpk= 0, nxpk= 0, iat= -1,1415, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr1=1400,1401, &end # # 68 ALA QB 89 MET HA 4.90 &rst ixpk= 0, nxpk= 0, iat= -1,1415, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1=1116,1117,1118, &end # # 89 MET HA 89 MET HG3 4.09 &rst ixpk= 0, nxpk= 0, iat=1415,1421, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end # # 24 ARG HA 24 ARG QG 3.88 &rst ixpk= 0, nxpk= 0, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, igr2= 362, 363, &end # # 24 ARG HA 24 ARG QD 4.46 &rst ixpk= 0, nxpk= 0, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, igr2= 365, 366, &end # # 24 ARG HA 24 ARG QG 3.91 &rst ixpk= 0, nxpk= 0, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, igr2= 362, 363, &end # # 26 SER HA 27 PRO HG2 4.81 &rst ixpk= 0, nxpk= 0, iat= 395, 408, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end # # 26 SER HA 27 PRO HG3 4.87 &rst ixpk= 0, nxpk= 0, iat= 395, 409, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end # # 85 LEU HA 86 ARG HB2 4.84 &rst ixpk= 0, nxpk= 0, iat=1339,1360, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end # # 85 LEU HA 86 ARG HG2 4.46 &rst ixpk= 0, nxpk= 0, iat=1339,1363, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end # # 52 LYS H 53 GLU HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 836, 860, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 52 LYS HA 53 GLU HA 4.98 &rst ixpk= 0, nxpk= 0, iat= 838, 860, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end # # 53 GLU HA 54 SER QB 5.50 &rst ixpk= 0, nxpk= 0, iat= 860, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 877, 878, &end # # 16 LEU QQD 17 LYS HA 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 239, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 227, 228, 229, 231, 232, 233, &end # # 26 SER HA 58 ALA QB 5.50 &rst ixpk= 0, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 939, 940, 941, &end # # 40 VAL HB 42 ASP HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 640, 661, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 42 ASP HA 43 VAL HB 5.50 &rst ixpk= 0, nxpk= 0, iat= 661, 675, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 53 GLU HA 53 GLU QG 4.17 &rst ixpk= 0, nxpk= 0, iat= 860, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, igr2= 865, 866, &end # # 53 GLU HA 53 GLU QG 3.81 &rst ixpk= 0, nxpk= 0, iat= 860, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, igr2= 865, 866, &end # # 48 ASP HA 49 ARG H 3.06 &rst ixpk= 0, nxpk= 0, iat= 767, 777, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end # # 48 ASP HA 51 THR QG2 5.28 &rst ixpk= 0, nxpk= 0, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84, igr2= 828, 829, 830, &end # # 17 LYS HA 18 VAL QQG 5.25 &rst ixpk= 0, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58, igr2= 265, 266, 267, 269, 270, 271, &end # # 17 LYS HA 87 VAL QQG 5.50 &rst ixpk= 0, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1386,1387,1388,1390,1391,1392, &end # # 17 LYS HA 59 PHE QR 4.36 &rst ixpk= 0, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, igr2= 953, 961, 955, 959, &end # # 16 LEU QQD 17 LYS H 3.56 &rst ixpk= 0, nxpk= 0, iat= -1, 237, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1= 227, 228, 229, 231, 232, 233, &end # # 16 LEU QQD 89 MET H 3.93 &rst ixpk= 0, nxpk= 0, iat= -1,1413, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 227, 228, 229, 231, 232, 233, &end # # 16 LEU HA 16 LEU QQD 3.14 &rst ixpk= 0, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, igr2= 227, 228, 229, 231, 232, 233, &end # # 16 LEU QQD 72 MET HB3 4.04 &rst ixpk= 0, nxpk= 0, iat= -1,1164, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, igr1= 227, 228, 229, 231, 232, 233, &end # # 16 LEU QQD 68 ALA QB 3.30 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr1= 227, 228, 229, 231, 232, 233, igr2=1116,1117,1118, &end # # 16 LEU QQD 90 ALA H 3.90 &rst ixpk= 0, nxpk= 0, iat= -1,1430, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, igr1= 227, 228, 229, 231, 232, 233, &end # # 16 LEU QQD 89 MET HA 3.23 &rst ixpk= 0, nxpk= 0, iat= -1,1415, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, igr1= 227, 228, 229, 231, 232, 233, &end # # 16 LEU QQD 68 ALA HA 4.36 &rst ixpk= 0, nxpk= 0, iat= -1,1114, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1= 227, 228, 229, 231, 232, 233, &end # # 16 LEU QQD 89 MET HG3 4.31 &rst ixpk= 0, nxpk= 0, iat= -1,1421, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, igr1= 227, 228, 229, 231, 232, 233, &end # # 16 LEU QQD 17 LYS QB 5.43 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.22, r4= 8.72, igr1= 227, 228, 229, 231, 232, 233, igr2= 241, 242, &end # # 80 LEU QQD 81 ASP HA 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1281, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1269,1270,1271,1273,1274,1275, &end # # 80 LEU QQD 81 ASP HA 3.98 &rst ixpk= 0, nxpk= 0, iat= -1,1281, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr1=1269,1270,1271,1273,1274,1275, &end # # 22 THR H 22 THR QG2 3.68 &rst ixpk= 0, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, igr2= 326, 327, 328, &end # # 22 THR QG2 83 ARG H 4.84 &rst ixpk= 0, nxpk= 0, iat= -1,1298, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, igr1= 326, 327, 328, &end # # 22 THR HA 22 THR QG2 3.17 &rst ixpk= 0, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, igr2= 326, 327, 328, &end # # 22 THR QG2 83 ARG QD 3.39 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, igr1= 326, 327, 328, igr2=1308,1309, &end # # 22 THR QG2 24 ARG QB 4.51 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, igr1= 326, 327, 328, igr2= 359, 360, &end # # 79 VAL QQG 81 ASP HA 4.86 &rst ixpk= 0, nxpk= 0, iat= -1,1281, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05, igr1=1250,1251,1252,1254,1255,1256, &end # # 22 THR QG2 24 ARG QG 4.21 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr1= 326, 327, 328, igr2= 362, 363, &end # # 57 PHE HA 57 PHE QD 4.21 &rst ixpk= 0, nxpk= 0, iat= 917, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr2= 923, 931, &end # # 18 VAL QQG 19 ASP H 3.29 &rst ixpk= 0, nxpk= 0, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, igr1= 265, 266, 267, 269, 270, 271, &end # # 18 VAL H 18 VAL QQG 3.96 &rst ixpk= 0, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr2= 265, 266, 267, 269, 270, 271, &end # # 18 VAL QQG 58 ALA H 4.59 &rst ixpk= 0, nxpk= 0, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69, igr1= 265, 266, 267, 269, 270, 271, &end # # 18 VAL QQG 34 PHE QE 3.45 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr1= 265, 266, 267, 269, 270, 271, igr2= 537, 541, &end # # 18 VAL QQG 34 PHE HZ 3.75 &rst ixpk= 0, nxpk= 0, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr1= 265, 266, 267, 269, 270, 271, &end # # 18 VAL QQG 19 ASP HA 4.26 &rst ixpk= 0, nxpk= 0, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, igr1= 265, 266, 267, 269, 270, 271, &end # # 18 VAL HA 18 VAL QQG 3.42 &rst ixpk= 0, nxpk= 0, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, igr2= 265, 266, 267, 269, 270, 271, &end # # 18 VAL QQG 20 ASN HB2 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 291, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 265, 266, 267, 269, 270, 271, &end # # 18 VAL QQG 57 PHE HB2 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 265, 266, 267, 269, 270, 271, &end # # 84 GLU H 85 LEU QQD 4.80 &rst ixpk= 0, nxpk= 0, iat=1322, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, igr2=1346,1347,1348,1350,1351,1352, &end # # 85 LEU H 85 LEU QQD 3.32 &rst ixpk= 0, nxpk= 0, iat=1337, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, igr2=1346,1347,1348,1350,1351,1352, &end # # 85 LEU HA 85 LEU QQD 2.97 &rst ixpk= 0, nxpk= 0, iat=1339, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr2=1346,1347,1348,1350,1351,1352, &end # # 85 LEU QB 85 LEU QQD 3.43 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr1=1341,1342, igr2=1346,1347,1348,1350,1351,1352, &end # # 84 GLU QB 85 LEU QQD 3.09 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, igr1=1326,1327, igr2=1346,1347,1348,1350,1351,1352, &end # # 80 LEU HA 80 LEU QQD 3.69 &rst ixpk= 0, nxpk= 0, iat=1262, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr2=1269,1270,1271,1273,1274,1275, &end # # 71 ALA HA 73 ASP H 5.50 &rst ixpk= 0, nxpk= 0, iat=1151,1176, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 34 PHE QE 85 LEU QQD 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 537, 541, igr2=1346,1347,1348,1350,1351,1352, &end # # 34 PHE HZ 85 LEU QQD 5.50 &rst ixpk= 0, nxpk= 0, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1346,1347,1348,1350,1351,1352, &end # # 84 GLU HA 85 LEU QQD 3.55 &rst ixpk= 0, nxpk= 0, iat=1324, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, igr2=1346,1347,1348,1350,1351,1352, &end # # 96 PRO QB 97 ASP HA 4.69 &rst ixpk= 0, nxpk= 0, iat= -1,1546, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, igr1=1537,1538, &end # # 68 ALA HA 70 ASP H 4.97 &rst ixpk= 0, nxpk= 0, iat=1114,1137, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end # # 71 ALA HA 74 ALA H 4.08 &rst ixpk= 0, nxpk= 0, iat=1151,1188, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end # # 71 ALA HA 75 MET QB 4.40 &rst ixpk= 0, nxpk= 0, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, igr2=1202,1203, &end # # 87 VAL H 87 VAL QQG 3.39 &rst ixpk= 0, nxpk= 0, iat=1380, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, igr2=1386,1387,1388,1390,1391,1392, &end # # 19 ASP H 87 VAL QQG 4.17 &rst ixpk= 0, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, igr2=1386,1387,1388,1390,1391,1392, &end # # 86 ARG H 87 VAL QQG 4.37 &rst ixpk= 0, nxpk= 0, iat=1356, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, igr2=1386,1387,1388,1390,1391,1392, &end # # 34 PHE QE 87 VAL QQG 3.35 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, igr1= 537, 541, igr2=1386,1387,1388,1390,1391,1392, &end # # 34 PHE HZ 87 VAL QQG 3.71 &rst ixpk= 0, nxpk= 0, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr2=1386,1387,1388,1390,1391,1392, &end # # 87 VAL HA 87 VAL QQG 3.59 &rst ixpk= 0, nxpk= 0, iat=1382, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, igr2=1386,1387,1388,1390,1391,1392, &end # # 18 VAL HA 87 VAL QQG 3.68 &rst ixpk= 0, nxpk= 0, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, igr2=1386,1387,1388,1390,1391,1392, &end # # 72 MET HA 87 VAL QQG 3.70 &rst ixpk= 0, nxpk= 0, iat=1161, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, igr2=1386,1387,1388,1390,1391,1392, &end # # 18 VAL QQG 87 VAL QQG 2.97 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 265, 266, 267, 269, 270, 271, igr2=1386,1387,1388,1390,1391,1392, &end # # 34 PHE QD 40 VAL QQG 5.49 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81, igr1= 535, 543, igr2= 642, 643, 644, 646, 647, 648, &end # # 35 GLU HA 40 VAL QQG 4.91 &rst ixpk= 0, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, igr2= 642, 643, 644, 646, 647, 648, &end # # 40 VAL QQG 41 GLY H 3.53 &rst ixpk= 0, nxpk= 0, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr1= 642, 643, 644, 646, 647, 648, &end # # 40 VAL H 40 VAL QQG 3.81 &rst ixpk= 0, nxpk= 0, iat= 636, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr2= 642, 643, 644, 646, 647, 648, &end # # 40 VAL QQG 42 ASP H 3.32 &rst ixpk= 0, nxpk= 0, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, igr1= 642, 643, 644, 646, 647, 648, &end # # 40 VAL QQG 60 VAL HA 4.10 &rst ixpk= 0, nxpk= 0, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1= 642, 643, 644, 646, 647, 648, &end # # 40 VAL HA 40 VAL QQG 3.37 &rst ixpk= 0, nxpk= 0, iat= 638, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, igr2= 642, 643, 644, 646, 647, 648, &end # # 31 ARG QD 40 VAL QQG 4.20 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85, igr1= 473, 474, igr2= 642, 643, 644, 646, 647, 648, &end # # 31 ARG QD 40 VAL QQG 4.09 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69, igr1= 473, 474, igr2= 642, 643, 644, 646, 647, 648, &end # # 31 ARG QG 40 VAL QQG 4.43 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, igr1= 470, 471, igr2= 642, 643, 644, 646, 647, 648, &end # # 40 VAL QQG 60 VAL QQG 3.32 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr1= 642, 643, 644, 646, 647, 648, igr2= 971, 972, 973, 975, 976, 977, &end # # 40 VAL QQG 61 ARG H 4.23 &rst ixpk= 0, nxpk= 0, iat= -1, 981, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr1= 642, 643, 644, 646, 647, 648, &end # # 76 ASP HA 86 ARG HA 4.27 &rst ixpk= 0, nxpk= 0, iat=1217,1358, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end # # 86 ARG HA 86 ARG HG3 3.93 &rst ixpk= 0, nxpk= 0, iat=1358,1364, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end # # 86 ARG HA 86 ARG HG2 3.88 &rst ixpk= 0, nxpk= 0, iat=1358,1363, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end # # 62 PHE QE 68 ALA HA 4.58 &rst ixpk= 0, nxpk= 0, iat= -1,1114, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr1=1015,1019, &end # # 68 ALA HA 89 MET QE 5.08 &rst ixpk= 0, nxpk= 0, iat=1114, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, igr2=1424,1425,1426, &end # # 29 THR QG2 31 ARG H 4.73 &rst ixpk= 0, nxpk= 0, iat= -1, 463, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr1= 436, 437, 438, &end # # 72 MET H 87 VAL QQG 4.75 &rst ixpk= 0, nxpk= 0, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, igr2=1386,1387,1388,1390,1391,1392, &end # # 87 VAL QQG 88 GLN H 4.98 &rst ixpk= 0, nxpk= 0, iat= -1,1396, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21, igr1=1386,1387,1388,1390,1391,1392, &end # # 72 MET HB3 87 VAL QQG 5.48 &rst ixpk= 0, nxpk= 0, iat=1164, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2=1386,1387,1388,1390,1391,1392, &end # # 18 VAL HB 87 VAL QQG 4.43 &rst ixpk= 0, nxpk= 0, iat= 263, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, igr2=1386,1387,1388,1390,1391,1392, &end # # 75 MET H 87 VAL QQG 4.91 &rst ixpk= 0, nxpk= 0, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, igr2=1386,1387,1388,1390,1391,1392, &end # # 86 ARG HA 87 VAL QQG 4.00 &rst ixpk= 0, nxpk= 0, iat=1358, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr2=1386,1387,1388,1390,1391,1392, &end # # 76 ASP HA 87 VAL QQG 3.38 &rst ixpk= 0, nxpk= 0, iat=1217, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, igr2=1386,1387,1388,1390,1391,1392, &end # # 76 ASP HB3 87 VAL QQG 3.87 &rst ixpk= 0, nxpk= 0, iat=1220, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr2=1386,1387,1388,1390,1391,1392, &end # # 75 MET QE 87 VAL QQG 4.53 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83, igr1=1209,1210,1211, igr2=1386,1387,1388,1390,1391,1392, &end # # 31 ARG H 43 VAL QQG 4.06 &rst ixpk= 0, nxpk= 0, iat= 463, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, igr2= 677, 678, 679, 681, 682, 683, &end # # 31 ARG HE 40 VAL QQG 5.18 &rst ixpk= 0, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48, igr2= 642, 643, 644, 646, 647, 648, &end # # 4 GLY QA 5 ARG HA 4.53 &rst ixpk= 0, nxpk= 0, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr1= 55, 56, &end # # 8 PRO QB 9 ASP HA 4.57 &rst ixpk= 0, nxpk= 0, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr1= 119, 120, &end # # 68 ALA HA 71 ALA H 4.63 &rst ixpk= 0, nxpk= 0, iat=1114,1149, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end # # 26 SER H 29 THR QG2 3.76 &rst ixpk= 0, nxpk= 0, iat= 393, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, igr2= 436, 437, 438, &end # # 29 THR QG2 33 VAL H 4.53 &rst ixpk= 0, nxpk= 0, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, igr1= 436, 437, 438, &end # # 29 THR QG2 30 LEU H 3.42 &rst ixpk= 0, nxpk= 0, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr1= 436, 437, 438, &end # # 29 THR HA 29 THR QG2 2.80 &rst ixpk= 0, nxpk= 0, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2= 436, 437, 438, &end # # 28 ASP QB 29 THR QG2 5.24 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56, igr1= 422, 423, igr2= 436, 437, 438, &end # # 29 THR QG2 33 VAL HB 4.48 &rst ixpk= 0, nxpk= 0, iat= -1, 515, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr1= 436, 437, 438, &end # # 29 THR QG2 30 LEU QQD 3.46 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, igr1= 436, 437, 438, igr2= 453, 454, 455, 457, 458, 459, &end # # 14 THR H 14 THR QG2 3.83 &rst ixpk= 0, nxpk= 0, iat= 193, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, igr2= 199, 200, 201, &end # # 14 THR QG2 15 SER HA 4.76 &rst ixpk= 0, nxpk= 0, iat= -1, 209, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, igr1= 199, 200, 201, &end # # 43 VAL QQG 44 TYR H 3.46 &rst ixpk= 0, nxpk= 0, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr1= 677, 678, 679, 681, 682, 683, &end # # 30 LEU H 43 VAL QQG 4.35 &rst ixpk= 0, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, igr2= 677, 678, 679, 681, 682, 683, &end # # 43 VAL H 43 VAL QQG 4.56 &rst ixpk= 0, nxpk= 0, iat= 671, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, igr2= 677, 678, 679, 681, 682, 683, &end # # 43 VAL QQG 44 TYR HA 4.59 &rst ixpk= 0, nxpk= 0, iat= -1, 689, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69, igr1= 677, 678, 679, 681, 682, 683, &end # # 43 VAL HA 43 VAL QQG 3.30 &rst ixpk= 0, nxpk= 0, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, igr2= 677, 678, 679, 681, 682, 683, &end # # 27 PRO HA 43 VAL QQG 3.12 &rst ixpk= 0, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, igr2= 677, 678, 679, 681, 682, 683, &end # # 31 ARG QD 43 VAL QQG 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 473, 474, igr2= 677, 678, 679, 681, 682, 683, &end # # 30 LEU HB2 43 VAL QQG 3.66 &rst ixpk= 0, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, igr2= 677, 678, 679, 681, 682, 683, &end # # 34 PHE HA 40 VAL QQG 4.44 &rst ixpk= 0, nxpk= 0, iat= 529, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2= 642, 643, 644, 646, 647, 648, &end # # 34 PHE H 40 VAL QQG 4.11 &rst ixpk= 0, nxpk= 0, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr2= 642, 643, 644, 646, 647, 648, &end # # 35 GLU H 40 VAL QQG 3.62 &rst ixpk= 0, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, igr2= 642, 643, 644, 646, 647, 648, &end # # 35 GLU HA 40 VAL QQG 3.16 &rst ixpk= 0, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, igr2= 642, 643, 644, 646, 647, 648, &end # # 31 ARG HA 40 VAL QQG 3.82 &rst ixpk= 0, nxpk= 0, iat= 465, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, igr2= 642, 643, 644, 646, 647, 648, &end # # 31 ARG QD 40 VAL QQG 3.91 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, igr1= 473, 474, igr2= 642, 643, 644, 646, 647, 648, &end # # 34 PHE HB2 40 VAL QQG 4.33 &rst ixpk= 0, nxpk= 0, iat= 531, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr2= 642, 643, 644, 646, 647, 648, &end # # 31 ARG QG 40 VAL QQG 4.46 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, igr1= 470, 471, igr2= 642, 643, 644, 646, 647, 648, &end # # 83 ARG HA 84 GLU HA 4.47 &rst ixpk= 0, nxpk= 0, iat=1300,1324, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end # # 97 ASP HA 97 ASP QB 2.59 &rst ixpk= 0, nxpk= 0, iat=1546, -1, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, igr2=1548,1549, &end # # 73 ASP QB 74 ALA HA 4.74 &rst ixpk= 0, nxpk= 0, iat= -1,1190, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, igr1=1180,1181, &end # # 14 THR HA 14 THR QG2 3.04 &rst ixpk= 0, nxpk= 0, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, igr2= 199, 200, 201, &end # # 14 THR QG2 65 LYS HA 3.17 &rst ixpk= 0, nxpk= 0, iat= -1,1056, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, igr1= 199, 200, 201, &end # # 14 THR QG2 65 LYS QE 3.52 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, igr1= 199, 200, 201, igr2=1067,1068, &end # # 31 ARG H 33 VAL QQG 4.42 &rst ixpk= 0, nxpk= 0, iat= 463, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, igr2= 517, 518, 519, 521, 522, 523, &end # # 33 VAL QQG 35 GLU H 4.98 &rst ixpk= 0, nxpk= 0, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21, igr1= 517, 518, 519, 521, 522, 523, &end # # 33 VAL QQG 34 PHE H 3.73 &rst ixpk= 0, nxpk= 0, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr1= 517, 518, 519, 521, 522, 523, &end # # 33 VAL H 33 VAL QQG 2.55 &rst ixpk= 0, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, igr2= 517, 518, 519, 521, 522, 523, &end # # 33 VAL HA 33 VAL QQG 2.48 &rst ixpk= 0, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, igr2= 517, 518, 519, 521, 522, 523, &end # # 31 ARG HA 33 VAL QQG 5.48 &rst ixpk= 0, nxpk= 0, iat= 465, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2= 517, 518, 519, 521, 522, 523, &end # # 32 ARG QD 33 VAL QQG 4.10 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, igr1= 497, 498, igr2= 517, 518, 519, 521, 522, 523, &end # # 33 VAL QQG 36 LYS QE 4.67 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57, igr1= 517, 518, 519, 521, 522, 523, igr2= 575, 576, &end # # 31 ARG HA 43 VAL QQG 4.46 &rst ixpk= 0, nxpk= 0, iat= 465, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, igr2= 677, 678, 679, 681, 682, 683, &end # # 43 VAL H 43 VAL QQG 3.47 &rst ixpk= 0, nxpk= 0, iat= 671, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, igr2= 677, 678, 679, 681, 682, 683, &end # # 27 PRO HA 43 VAL QQG 5.13 &rst ixpk= 0, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42, igr2= 677, 678, 679, 681, 682, 683, &end # # 31 ARG QD 43 VAL QQG 4.14 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76, igr1= 473, 474, igr2= 677, 678, 679, 681, 682, 683, &end # # 43 VAL QQG 44 TYR H 4.33 &rst ixpk= 0, nxpk= 0, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr1= 677, 678, 679, 681, 682, 683, &end # # 42 ASP HA 43 VAL QQG 3.66 &rst ixpk= 0, nxpk= 0, iat= 661, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, igr2= 677, 678, 679, 681, 682, 683, &end # # 43 VAL HA 43 VAL QQG 3.80 &rst ixpk= 0, nxpk= 0, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, igr2= 677, 678, 679, 681, 682, 683, &end # # 31 ARG HA 43 VAL QQG 3.28 &rst ixpk= 0, nxpk= 0, iat= 465, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, igr2= 677, 678, 679, 681, 682, 683, &end # # 43 VAL QQG 60 VAL QQG 3.85 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 677, 678, 679, 681, 682, 683, igr2= 971, 972, 973, 975, 976, 977, &end # # 43 VAL QQG 60 VAL QQG 4.03 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82, igr1= 677, 678, 679, 681, 682, 683, igr2= 971, 972, 973, 975, 976, 977, &end # # 20 ASN HD22 83 ARG HA 4.37 &rst ixpk= 0, nxpk= 0, iat= 296,1300, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end # # 5 ARG HA 6 PRO QD 2.89 &rst ixpk= 0, nxpk= 0, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, igr2= 85, 86, &end # # 9 ASP HA 11 GLU QB 4.44 &rst ixpk= 0, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, igr2= 158, 159, &end # # 73 ASP H 74 ALA HA 5.18 &rst ixpk= 0, nxpk= 0, iat=1176,1190, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end # # 21 LEU HA 25 THR QG2 4.17 &rst ixpk= 0, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, igr2= 385, 386, 387, &end # # 25 THR HA 25 THR QG2 2.84 &rst ixpk= 0, nxpk= 0, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, igr2= 385, 386, 387, &end # # 29 THR QG2 33 VAL QQG 2.71 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, igr1= 436, 437, 438, igr2= 517, 518, 519, 521, 522, 523, &end # # 79 VAL QQG 84 GLU QG 3.04 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, igr1=1250,1251,1252,1254,1255,1256, igr2=1329,1330, &end # # 79 VAL QQG 84 GLU QG 3.83 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr1=1250,1251,1252,1254,1255,1256, igr2=1329,1330, &end # # 42 ASP H 43 VAL QQG 4.66 &rst ixpk= 0, nxpk= 0, iat= 659, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78, igr2= 677, 678, 679, 681, 682, 683, &end # # 5 ARG HA 5 ARG QD 4.01 &rst ixpk= 0, nxpk= 0, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr2= 70, 71, &end # # 20 ASN HA 21 LEU QQD 4.17 &rst ixpk= 0, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, igr2= 310, 311, 312, 314, 315, 316, &end # # 25 THR QG2 26 SER H 3.12 &rst ixpk= 0, nxpk= 0, iat= -1, 393, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, igr1= 385, 386, 387, &end # # 25 THR H 25 THR QG2 4.06 &rst ixpk= 0, nxpk= 0, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, igr2= 385, 386, 387, &end # # 79 VAL QQG 85 LEU H 3.40 &rst ixpk= 0, nxpk= 0, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr1=1250,1251,1252,1254,1255,1256, &end # # 79 VAL QQG 84 GLU H 3.69 &rst ixpk= 0, nxpk= 0, iat= -1,1322, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr1=1250,1251,1252,1254,1255,1256, &end # # 79 VAL H 79 VAL QQG 2.65 &rst ixpk= 0, nxpk= 0, iat=1244, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, igr2=1250,1251,1252,1254,1255,1256, &end # # 79 VAL HA 79 VAL QQG 2.79 &rst ixpk= 0, nxpk= 0, iat=1246, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, igr2=1250,1251,1252,1254,1255,1256, &end # # 30 LEU HB3 43 VAL QQG 2.63 &rst ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, igr2= 677, 678, 679, 681, 682, 683, &end # # 79 VAL QQG 82 GLY HA2 5.20 &rst ixpk= 0, nxpk= 0, iat= -1,1293, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51, igr1=1250,1251,1252,1254,1255,1256, &end # # 21 LEU HA 21 LEU QQD 4.30 &rst ixpk= 0, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr2= 310, 311, 312, 314, 315, 316, &end # # 88 GLN HA 89 MET HG3 4.81 &rst ixpk= 0, nxpk= 0, iat=1398,1421, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end # # 72 MET QE 88 GLN HA 3.36 &rst ixpk= 0, nxpk= 0, iat= -1,1398, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, igr1=1170,1171,1172, &end # # 21 LEU HA 21 LEU HG 4.19 &rst ixpk= 0, nxpk= 0, iat= 303, 308, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end # # 21 LEU HA 58 ALA QB 5.50 &rst ixpk= 0, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 939, 940, 941, &end # # 51 THR QG2 53 GLU H 4.65 &rst ixpk= 0, nxpk= 0, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr1= 828, 829, 830, &end # # 33 VAL QQG 34 PHE QD 3.37 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, igr1= 517, 518, 519, 521, 522, 523, igr2= 535, 543, &end # # 33 VAL QQG 37 TYR QD 4.49 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29, igr1= 517, 518, 519, 521, 522, 523, igr2= 592, 601, &end # # 33 VAL QQG 34 PHE QE 3.83 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr1= 517, 518, 519, 521, 522, 523, igr2= 537, 541, &end # # 33 VAL QQG 37 TYR QE 3.75 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 517, 518, 519, 521, 522, 523, igr2= 594, 599, &end # # 33 VAL QQG 34 PHE HA 3.75 &rst ixpk= 0, nxpk= 0, iat= -1, 529, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr1= 517, 518, 519, 521, 522, 523, &end # # 33 VAL HA 33 VAL QQG 2.71 &rst ixpk= 0, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, igr2= 517, 518, 519, 521, 522, 523, &end # # 32 ARG QD 33 VAL QQG 4.11 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72, igr1= 497, 498, igr2= 517, 518, 519, 521, 522, 523, &end # # 18 VAL QQG 60 VAL H 4.70 &rst ixpk= 0, nxpk= 0, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84, igr1= 265, 266, 267, 269, 270, 271, &end # # 18 VAL QQG 88 GLN H 4.47 &rst ixpk= 0, nxpk= 0, iat= -1,1396, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr1= 265, 266, 267, 269, 270, 271, &end # # 18 VAL QQG 34 PHE QD 4.19 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84, igr1= 265, 266, 267, 269, 270, 271, igr2= 535, 543, &end # # 19 ASP HA 21 LEU H 4.91 &rst ixpk= 0, nxpk= 0, iat= 277, 301, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end # # 51 THR H 51 THR QG2 2.99 &rst ixpk= 0, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, igr2= 828, 829, 830, &end # # 50 TYR H 51 THR QG2 3.61 &rst ixpk= 0, nxpk= 0, iat= 801, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, igr2= 828, 829, 830, &end # # 51 THR QG2 52 LYS H 3.82 &rst ixpk= 0, nxpk= 0, iat= -1, 836, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, igr1= 828, 829, 830, &end # # 51 THR HA 51 THR QG2 2.67 &rst ixpk= 0, nxpk= 0, iat= 824, -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, igr2= 828, 829, 830, &end # # 48 ASP QB 51 THR QG2 4.15 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, igr1= 769, 770, igr2= 828, 829, 830, &end # # 51 THR QG2 53 GLU QG 3.91 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, igr1= 828, 829, 830, igr2= 865, 866, &end # # 33 VAL QQG 34 PHE H 3.28 &rst ixpk= 0, nxpk= 0, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, igr1= 517, 518, 519, 521, 522, 523, &end # # 33 VAL QQG 36 LYS H 5.19 &rst ixpk= 0, nxpk= 0, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 517, 518, 519, 521, 522, 523, &end # # 18 VAL QQG 19 ASP H 4.24 &rst ixpk= 0, nxpk= 0, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, igr1= 265, 266, 267, 269, 270, 271, &end # # 18 VAL H 18 VAL QQG 3.50 &rst ixpk= 0, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2= 265, 266, 267, 269, 270, 271, &end # # 18 VAL QQG 34 PHE QE 3.20 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, igr1= 265, 266, 267, 269, 270, 271, igr2= 537, 541, &end # # 18 VAL HA 18 VAL QQG 3.46 &rst ixpk= 0, nxpk= 0, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr2= 265, 266, 267, 269, 270, 271, &end # # 18 VAL QQG 87 VAL QQG 2.95 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, igr1= 265, 266, 267, 269, 270, 271, igr2=1386,1387,1388,1390,1391,1392, &end # # 19 ASP HA 57 PHE HA 4.21 &rst ixpk= 0, nxpk= 0, iat= 277, 917, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end # # 20 ASN HA 83 ARG QG 5.50 &rst ixpk= 0, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1305,1306, &end # # 18 VAL QQG 87 VAL H 5.35 &rst ixpk= 0, nxpk= 0, iat= -1,1380, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 265, 266, 267, 269, 270, 271, &end # # 16 LEU HA 87 VAL QQG 5.23 &rst ixpk= 0, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55, igr2=1386,1387,1388,1390,1391,1392, &end # # 75 MET HA 78 ALA H 5.50 &rst ixpk= 0, nxpk= 0, iat=1200,1234, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 79 VAL QQG 85 LEU H 5.14 &rst ixpk= 0, nxpk= 0, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1250,1251,1252,1254,1255,1256, &end # # 64 ASP HA 65 LYS HA 4.43 &rst ixpk= 0, nxpk= 0, iat=1044,1056, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end # # 79 VAL H 79 VAL QQG 3.00 &rst ixpk= 0, nxpk= 0, iat=1244, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, igr2=1250,1251,1252,1254,1255,1256, &end # # 79 VAL QQG 82 GLY H 2.86 &rst ixpk= 0, nxpk= 0, iat= -1,1291, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, igr1=1250,1251,1252,1254,1255,1256, &end # # 79 VAL HA 79 VAL QQG 3.17 &rst ixpk= 0, nxpk= 0, iat=1246, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, igr2=1250,1251,1252,1254,1255,1256, &end # # 79 VAL QQG 84 GLU HA 3.74 &rst ixpk= 0, nxpk= 0, iat= -1,1324, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr1=1250,1251,1252,1254,1255,1256, &end # # 79 VAL QQG 83 ARG QG 3.64 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, igr1=1250,1251,1252,1254,1255,1256, igr2=1305,1306, &end # # 60 VAL H 60 VAL QQG 3.53 &rst ixpk= 0, nxpk= 0, iat= 965, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr2= 971, 972, 973, 975, 976, 977, &end # # 34 PHE QD 60 VAL QQG 3.77 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr1= 535, 543, igr2= 971, 972, 973, 975, 976, 977, &end # # 34 PHE QD 60 VAL QQG 4.20 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85, igr1= 535, 543, igr2= 971, 972, 973, 975, 976, 977, &end # # 34 PHE HA 60 VAL QQG 5.38 &rst ixpk= 0, nxpk= 0, iat= 529, -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75, igr2= 971, 972, 973, 975, 976, 977, &end # # 16 LEU HA 89 MET QE 4.37 &rst ixpk= 0, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, igr2=1424,1425,1426, &end # # 14 THR QG2 16 LEU HA 4.75 &rst ixpk= 0, nxpk= 0, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr1= 199, 200, 201, &end # # 16 LEU HA 62 PHE H 4.78 &rst ixpk= 0, nxpk= 0, iat= 220,1005, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end # # 59 PHE H 60 VAL QQG 4.53 &rst ixpk= 0, nxpk= 0, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, igr2= 971, 972, 973, 975, 976, 977, &end # # 60 VAL HA 60 VAL QQG 3.55 &rst ixpk= 0, nxpk= 0, iat= 967, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, igr2= 971, 972, 973, 975, 976, 977, &end # # 60 VAL HA 60 VAL QQG 3.76 &rst ixpk= 0, nxpk= 0, iat= 967, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, igr2= 971, 972, 973, 975, 976, 977, &end # # 58 ALA H 60 VAL QQG 5.37 &rst ixpk= 0, nxpk= 0, iat= 935, -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74, igr2= 971, 972, 973, 975, 976, 977, &end # # 60 VAL QQG 61 ARG H 3.46 &rst ixpk= 0, nxpk= 0, iat= -1, 981, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr1= 971, 972, 973, 975, 976, 977, &end # # 60 VAL QQG 62 PHE QE 3.72 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, igr1= 971, 972, 973, 975, 976, 977, igr2=1015,1019, &end # # 34 PHE HB3 60 VAL QQG 3.81 &rst ixpk= 0, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr2= 971, 972, 973, 975, 976, 977, &end # # 43 VAL HB 60 VAL QQG 3.96 &rst ixpk= 0, nxpk= 0, iat= 675, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr2= 971, 972, 973, 975, 976, 977, &end # # 89 MET HA 90 ALA HA 4.54 &rst ixpk= 0, nxpk= 0, iat=1415,1432, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end # # 10 VAL QQG 11 GLU H 4.29 &rst ixpk= 0, nxpk= 0, iat= -1, 154, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, igr1= 144, 145, 146, 148, 149, 150, &end # # 10 VAL H 10 VAL QQG 3.35 &rst ixpk= 0, nxpk= 0, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, igr2= 144, 145, 146, 148, 149, 150, &end # # 8 PRO QG 10 VAL QQG 3.45 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr1= 116, 117, igr2= 144, 145, 146, 148, 149, 150, &end # # 70 ASP QB 74 ALA QB 4.68 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81, igr1=1141,1142, igr2=1192,1193,1194, &end # # 74 ALA QB 75 MET H 3.12 &rst ixpk= 0, nxpk= 0, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, igr1=1192,1193,1194, &end # # 74 ALA H 74 ALA QB 2.73 &rst ixpk= 0, nxpk= 0, iat=1188, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, igr2=1192,1193,1194, &end # # 37 TYR QD 74 ALA QB 3.65 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr1= 592, 601, igr2=1192,1193,1194, &end # # 70 ASP HA 74 ALA QB 3.87 &rst ixpk= 0, nxpk= 0, iat=1139, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr2=1192,1193,1194, &end # # 71 ALA HA 74 ALA QB 3.15 &rst ixpk= 0, nxpk= 0, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, igr2=1192,1193,1194, &end # # 74 ALA QB 75 MET QB 3.63 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, igr1=1192,1193,1194, igr2=1202,1203, &end # # 74 ALA QB 75 MET QE 4.64 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19, igr1=1192,1193,1194, igr2=1209,1210,1211, &end # # 71 ALA QB 74 ALA QB 4.19 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, igr1=1153,1154,1155, igr2=1192,1193,1194, &end # # 72 MET HA 74 ALA QB 5.17 &rst ixpk= 0, nxpk= 0, iat=1161, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71, igr2=1192,1193,1194, &end # # 78 ALA QB 79 VAL HA 4.69 &rst ixpk= 0, nxpk= 0, iat= -1,1246, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, igr1=1238,1239,1240, &end # # 78 ALA QB 85 LEU QQD 3.13 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, igr1=1238,1239,1240, igr2=1346,1347,1348,1350,1351,1352, &end # # 37 TYR QD 71 ALA QB 3.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 592, 601, igr2=1153,1154,1155, &end # # 62 PHE QE 71 ALA QB 3.65 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr1=1015,1019, igr2=1153,1154,1155, &end # # 34 PHE QE 71 ALA QB 3.49 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, igr1= 537, 541, igr2=1153,1154,1155, &end # # 71 ALA QB 72 MET HA 4.02 &rst ixpk= 0, nxpk= 0, iat= -1,1161, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr1=1153,1154,1155, &end # # 71 ALA QB 72 MET HB3 4.39 &rst ixpk= 0, nxpk= 0, iat= -1,1164, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, igr1=1153,1154,1155, &end # # 71 ALA QB 75 MET QB 4.21 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr1=1153,1154,1155, igr2=1202,1203, &end # # 16 LEU QB 71 ALA QB 5.13 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42, igr1= 222, 223, igr2=1153,1154,1155, &end # # 10 VAL QQG 13 MET QE 4.56 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.38, r4= 7.88, igr1= 144, 145, 146, 148, 149, 150, igr2= 187, 188, 189, &end # # 8 PRO QG 10 VAL QQG 4.22 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89, igr1= 116, 117, igr2= 144, 145, 146, 148, 149, 150, &end # # 13 MET QE 63 HIS HE1 4.59 &rst ixpk= 0, nxpk= 0, iat= -1,1034, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, igr1= 187, 188, 189, &end # # 13 MET QE 41 GLY QA 3.97 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, igr1= 187, 188, 189, igr2= 654, 655, &end # # 13 MET QE 63 HIS HB2 4.34 &rst ixpk= 0, nxpk= 0, iat= -1,1029, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, igr1= 187, 188, 189, &end # # 95 PRO QG 96 PRO QD 4.61 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, igr1=1520,1521, igr2=1531,1532, &end # # 95 PRO QB 96 PRO QD 3.80 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, igr1=1523,1524, igr2=1531,1532, &end # # 95 PRO QB 96 PRO QD 3.74 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, igr1=1523,1524, igr2=1531,1532, &end # # 94 ARG H 95 PRO QD 4.85 &rst ixpk= 0, nxpk= 0, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, igr2=1517,1518, &end # # 68 ALA QB 69 GLU HA 4.07 &rst ixpk= 0, nxpk= 0, iat= -1,1124, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, igr1=1116,1117,1118, &end # # 65 LYS HB2 68 ALA QB 4.86 &rst ixpk= 0, nxpk= 0, iat=1058, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr2=1116,1117,1118, &end # # 8 PRO QD 10 VAL QQG 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 113, 114, igr2= 144, 145, 146, 148, 149, 150, &end # # 8 PRO QD 10 VAL QQG 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 113, 114, igr2= 144, 145, 146, 148, 149, 150, &end # # 8 PRO QD 10 VAL QQG 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 113, 114, igr2= 144, 145, 146, 148, 149, 150, &end # # 16 LEU QQD 90 ALA QB 4.82 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.80, r4= 8.30, igr1= 227, 228, 229, 231, 232, 233, igr2=1434,1435,1436, &end # # 59 PHE QR 90 ALA QB 3.84 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, igr1= 953, 961, 955, 959, igr2=1434,1435,1436, &end # # 88 GLN HA 89 MET QE 5.14 &rst ixpk= 0, nxpk= 0, iat=1398, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1424,1425,1426, &end # # 65 LYS QD 89 MET QE 4.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr1=1064,1065, igr2=1424,1425,1426, &end # # 72 MET QE 89 MET H 3.69 &rst ixpk= 0, nxpk= 0, iat= -1,1413, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, igr1=1170,1171,1172, &end # # 69 GLU H 72 MET QE 4.12 &rst ixpk= 0, nxpk= 0, iat=1122, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr2=1170,1171,1172, &end # # 72 MET QE 73 ASP H 4.12 &rst ixpk= 0, nxpk= 0, iat= -1,1176, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1=1170,1171,1172, &end # # 72 MET H 72 MET QE 3.78 &rst ixpk= 0, nxpk= 0, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, igr2=1170,1171,1172, &end # # 89 MET H 89 MET QE 4.31 &rst ixpk= 0, nxpk= 0, iat=1413, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, igr2=1424,1425,1426, &end # # 69 GLU H 89 MET QE 3.77 &rst ixpk= 0, nxpk= 0, iat=1122, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr2=1424,1425,1426, &end # # 46 PRO QD 58 ALA HA 4.39 &rst ixpk= 0, nxpk= 0, iat= -1, 937, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, igr1= 728, 729, &end # # 45 ILE HB 58 ALA HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 712, 937, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 46 PRO QG 58 ALA HA 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 937, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 731, 732, &end # # 45 ILE HA 45 ILE QG2 3.74 &rst ixpk= 0, nxpk= 0, iat= 710, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr2= 714, 715, 716, &end # # 45 ILE H 45 ILE QG2 4.09 &rst ixpk= 0, nxpk= 0, iat= 708, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, igr2= 714, 715, 716, &end # # 45 ILE QG2 54 SER QB 4.65 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, igr1= 714, 715, 716, igr2= 877, 878, &end # # 45 ILE QG2 45 ILE QG1 3.66 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, igr1= 714, 715, 716, igr2= 718, 719, &end # # 45 ILE QG2 55 ARG H 4.14 &rst ixpk= 0, nxpk= 0, iat= -1, 884, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr1= 714, 715, 716, &end # # 45 ILE QG2 46 PRO QD 4.13 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr1= 714, 715, 716, igr2= 728, 729, &end # # 45 ILE QG2 46 PRO QD 4.37 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, igr1= 714, 715, 716, igr2= 728, 729, &end # # 75 MET HA 75 MET QE 4.55 &rst ixpk= 0, nxpk= 0, iat=1200, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, igr2=1209,1210,1211, &end # # 40 VAL HA 41 GLY QA 4.63 &rst ixpk= 0, nxpk= 0, iat= 638, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, igr2= 654, 655, &end # # 13 MET QE 41 GLY QA 4.33 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr1= 187, 188, 189, igr2= 654, 655, &end # # 27 PRO HD2 45 ILE QD1 3.72 &rst ixpk= 0, nxpk= 0, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr2= 721, 722, 723, &end # # 11 GLU QB 12 GLY QA 4.52 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, igr1= 158, 159, igr2= 171, 172, &end # # 19 ASP QB 86 ARG HB2 4.79 &rst ixpk= 0, nxpk= 0, iat= -1,1360, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr1= 279, 280, &end # # 38 GLY QA 62 PHE QE 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 607, 608, igr2=1015,1019, &end # # 39 ARG QG 64 ASP HB2 4.74 &rst ixpk= 0, nxpk= 0, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, igr1= 619, 620, &end # # 48 ASP H 48 ASP QB 4.17 &rst ixpk= 0, nxpk= 0, iat= 765, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, igr2= 769, 770, &end # # 24 ARG QB 24 ARG QD 3.26 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr1= 359, 360, igr2= 365, 366, &end # # 24 ARG QD 25 THR H 5.28 &rst ixpk= 0, nxpk= 0, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, igr1= 365, 366, &end # # 63 HIS HA 64 ASP HB2 5.50 &rst ixpk= 0, nxpk= 0, iat=1027,1046, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 29 THR HB 32 ARG QD 5.50 &rst ixpk= 0, nxpk= 0, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 497, 498, &end # # 76 ASP HA 86 ARG QD 5.50 &rst ixpk= 0, nxpk= 0, iat=1217, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1366,1367, &end # # 49 ARG QB 49 ARG QD 3.77 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, igr1= 781, 782, igr2= 787, 788, &end # # 31 ARG QD 39 ARG HA 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 473, 474, &end # # 86 ARG HG3 86 ARG QD 2.93 &rst ixpk= 0, nxpk= 0, iat=1364, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, igr2=1366,1367, &end # # 86 ARG H 86 ARG QD 4.38 &rst ixpk= 0, nxpk= 0, iat=1356, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr2=1366,1367, &end # # 21 LEU H 83 ARG QD 4.90 &rst ixpk= 0, nxpk= 0, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr2=1308,1309, &end # # 20 ASN HD21 83 ARG QD 4.18 &rst ixpk= 0, nxpk= 0, iat= 297, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, igr2=1308,1309, &end # # 20 ASN HD22 83 ARG QD 4.55 &rst ixpk= 0, nxpk= 0, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, igr2=1308,1309, &end # # 83 ARG QB 83 ARG QD 3.53 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, igr1=1302,1303, igr2=1308,1309, &end # # 30 LEU HB2 31 ARG HA 5.41 &rst ixpk= 0, nxpk= 0, iat= 448, 465, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end # # 62 PHE HB3 68 ALA QB 4.31 &rst ixpk= 0, nxpk= 0, iat=1010, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, igr2=1116,1117,1118, &end # # 30 LEU HB3 30 LEU QD1 3.54 &rst ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, igr2= 453, 454, 455, &end # # 30 LEU HB2 60 VAL QQG 4.11 &rst ixpk= 0, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr2= 971, 972, 973, 975, 976, 977, &end # # 30 LEU HB2 58 ALA QB 4.20 &rst ixpk= 0, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr2= 939, 940, 941, &end # # 30 LEU HB2 30 LEU QD2 3.36 &rst ixpk= 0, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, igr2= 457, 458, 459, &end # # 75 MET QB 76 ASP HB3 5.28 &rst ixpk= 0, nxpk= 0, iat= -1,1220, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, igr1=1202,1203, &end # # 76 ASP HB3 87 VAL HB 5.50 &rst ixpk= 0, nxpk= 0, iat=1220,1384, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 76 ASP HB2 87 VAL H 4.42 &rst ixpk= 0, nxpk= 0, iat=1219,1380, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end # # 76 ASP HB2 87 VAL QQG 4.16 &rst ixpk= 0, nxpk= 0, iat=1219, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2=1386,1387,1388,1390,1391,1392, &end # # 28 ASP QB 31 ARG QB 4.78 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, igr1= 422, 423, igr2= 467, 468, &end # # 72 MET H 73 ASP QB 4.96 &rst ixpk= 0, nxpk= 0, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr2=1180,1181, &end # # 73 ASP QB 74 ALA QB 5.15 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44, igr1=1180,1181, igr2=1192,1193,1194, &end # # 67 ASP QB 68 ALA H 4.19 &rst ixpk= 0, nxpk= 0, iat= -1,1112, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, igr1=1104,1105, &end # # 73 ASP QB 74 ALA QB 4.72 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=1180,1181, igr2=1192,1193,1194, &end # # 9 ASP QB 10 VAL H 4.28 &rst ixpk= 0, nxpk= 0, iat= -1, 138, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1= 130, 131, &end # # 70 ASP QB 71 ALA QB 4.23 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr1=1141,1142, igr2=1153,1154,1155, &end # # 22 THR QG2 81 ASP QB 4.55 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63, igr1= 326, 327, 328, igr2=1283,1284, &end # # 22 THR QG2 81 ASP QB 3.95 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, igr1= 326, 327, 328, igr2=1283,1284, &end # # 37 TYR HB2 62 PHE QE 4.50 &rst ixpk= 0, nxpk= 0, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1015,1019, &end # # 37 TYR HB2 71 ALA QB 4.35 &rst ixpk= 0, nxpk= 0, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr2=1153,1154,1155, &end # # 22 THR HB 24 ARG H 4.16 &rst ixpk= 0, nxpk= 0, iat= 324, 355, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end # # 50 TYR HB2 51 THR QG2 4.28 &rst ixpk= 0, nxpk= 0, iat= 805, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr2= 828, 829, 830, &end # # 51 THR HB 53 GLU QB 4.21 &rst ixpk= 0, nxpk= 0, iat= 826, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr2= 862, 863, &end # # 20 ASN HB2 21 LEU QQD 5.42 &rst ixpk= 0, nxpk= 0, iat= 291, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81, igr2= 310, 311, 312, 314, 315, 316, &end # # 65 LYS QG 69 GLU HG2 4.85 &rst ixpk= 0, nxpk= 0, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, igr1=1061,1062, &end # # 68 ALA QB 69 GLU HG3 4.93 &rst ixpk= 0, nxpk= 0, iat= -1,1130, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, igr1=1116,1117,1118, &end # # 25 THR QG2 29 THR HB 4.05 &rst ixpk= 0, nxpk= 0, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, igr1= 385, 386, 387, &end # # 29 THR HB 33 VAL QQG 4.65 &rst ixpk= 0, nxpk= 0, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, igr2= 517, 518, 519, 521, 522, 523, &end # # 29 THR HB 30 LEU QD2 4.29 &rst ixpk= 0, nxpk= 0, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, igr2= 457, 458, 459, &end # # 22 THR H 25 THR HB 4.17 &rst ixpk= 0, nxpk= 0, iat= 320, 383, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end # # 21 LEU HB2 25 THR HB 4.15 &rst ixpk= 0, nxpk= 0, iat= 305, 383, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end # # 53 GLU QG 54 SER QB 5.25 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 865, 866, igr2= 877, 878, &end # # 80 LEU HA 84 GLU QG 5.50 &rst ixpk= 0, nxpk= 0, iat=1262, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1329,1330, &end # # 83 ARG HA 84 GLU QG 5.50 &rst ixpk= 0, nxpk= 0, iat=1300, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1329,1330, &end # # 84 GLU QG 85 LEU H 4.64 &rst ixpk= 0, nxpk= 0, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, igr1=1329,1330, &end # # 51 THR QG2 53 GLU QG 4.94 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16, igr1= 828, 829, 830, igr2= 865, 866, &end # # 84 GLU H 84 GLU QG 4.53 &rst ixpk= 0, nxpk= 0, iat=1322, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr2=1329,1330, &end # # 29 THR HA 32 ARG QB 4.31 &rst ixpk= 0, nxpk= 0, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, igr2= 491, 492, &end # # 29 THR HA 33 VAL QQG 4.22 &rst ixpk= 0, nxpk= 0, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, igr2= 517, 518, 519, 521, 522, 523, &end # # 43 VAL QQG 60 VAL HB 4.56 &rst ixpk= 0, nxpk= 0, iat= -1, 969, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, igr1= 677, 678, 679, 681, 682, 683, &end # # 60 VAL H 60 VAL HB 4.11 &rst ixpk= 0, nxpk= 0, iat= 965, 969, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end # # 13 MET QB 13 MET QE 4.14 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr1= 180, 181, igr2= 187, 188, 189, &end # # 27 PRO HA 45 ILE QD1 3.60 &rst ixpk= 0, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, igr2= 721, 722, 723, &end # # 88 GLN QB 89 MET H 4.04 &rst ixpk= 0, nxpk= 0, iat= -1,1413, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1=1400,1401, &end # # 32 ARG QG 33 VAL HA 4.67 &rst ixpk= 0, nxpk= 0, iat= -1, 513, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, igr1= 494, 495, &end # # 32 ARG QB 33 VAL HA 4.88 &rst ixpk= 0, nxpk= 0, iat= -1, 513, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, igr1= 491, 492, &end # # 16 LEU QQD 88 GLN QG 5.06 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.66, r4= 8.16, igr1= 227, 228, 229, 231, 232, 233, igr2=1403,1404, &end # # 72 MET HB3 72 MET QE 3.81 &rst ixpk= 0, nxpk= 0, iat=1164, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr2=1170,1171,1172, &end # # 39 ARG HA 40 VAL HB 4.60 &rst ixpk= 0, nxpk= 0, iat= 614, 640, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 16 LEU QQD 72 MET HB2 4.14 &rst ixpk= 0, nxpk= 0, iat= -1,1163, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr1= 227, 228, 229, 231, 232, 233, &end # # 31 ARG QG 40 VAL HB 4.92 &rst ixpk= 0, nxpk= 0, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, igr1= 470, 471, &end # # 40 VAL HB 41 GLY QA 5.50 &rst ixpk= 0, nxpk= 0, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 654, 655, &end # # 72 MET HB2 73 ASP HA 5.50 &rst ixpk= 0, nxpk= 0, iat=1163,1178, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 26 SER QB 45 ILE QD1 4.86 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05, igr1= 397, 398, igr2= 721, 722, 723, &end # # 24 ARG QG 25 THR HA 4.53 &rst ixpk= 0, nxpk= 0, iat= -1, 381, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr1= 362, 363, &end # # 25 THR QG2 26 SER QB 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 385, 386, 387, igr2= 397, 398, &end # # 26 SER H 26 SER QB 4.03 &rst ixpk= 0, nxpk= 0, iat= 393, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, igr2= 397, 398, &end # # 15 SER H 15 SER QB 4.19 &rst ixpk= 0, nxpk= 0, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, igr2= 211, 212, &end # # 26 SER QB 28 ASP H 4.41 &rst ixpk= 0, nxpk= 0, iat= -1, 418, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1= 397, 398, &end # # 54 SER QB 55 ARG H 4.48 &rst ixpk= 0, nxpk= 0, iat= -1, 884, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr1= 877, 878, &end # # 54 SER QB 55 ARG H 4.32 &rst ixpk= 0, nxpk= 0, iat= -1, 884, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr1= 877, 878, &end # # 10 VAL HB 13 MET QE 3.74 &rst ixpk= 0, nxpk= 0, iat= 142, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr2= 187, 188, 189, &end # # 98 SER QB 99 HIS H 4.87 &rst ixpk= 0, nxpk= 0, iat= -1,1567, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, igr1=1560,1561, &end # # 96 PRO HA 97 ASP QB 5.17 &rst ixpk= 0, nxpk= 0, iat=1540, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr2=1548,1549, &end # # 72 MET QG 73 ASP HA 4.68 &rst ixpk= 0, nxpk= 0, iat= -1,1178, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, igr1=1166,1167, &end # # 34 PHE HA 71 ALA QB 4.50 &rst ixpk= 0, nxpk= 0, iat= 529, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1153,1154,1155, &end # # 34 PHE HA 34 PHE QD 3.70 &rst ixpk= 0, nxpk= 0, iat= 529, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, igr2= 535, 543, &end # # 34 PHE HA 37 TYR QD 3.61 &rst ixpk= 0, nxpk= 0, iat= 529, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, igr2= 592, 601, &end # # 8 PRO HA 9 ASP HA 4.61 &rst ixpk= 0, nxpk= 0, iat= 122, 128, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end # # 50 TYR H 51 THR HA 4.65 &rst ixpk= 0, nxpk= 0, iat= 801, 824, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end # # 31 ARG H 32 ARG QB 5.34 &rst ixpk= 0, nxpk= 0, iat= 463, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2= 491, 492, &end # # 32 ARG QB 35 GLU H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 491, 492, &end # # 43 VAL HA 60 VAL HB 4.98 &rst ixpk= 0, nxpk= 0, iat= 673, 969, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end # # 40 VAL HA 42 ASP H 4.49 &rst ixpk= 0, nxpk= 0, iat= 638, 659, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end # # 40 VAL HA 62 PHE QE 4.56 &rst ixpk= 0, nxpk= 0, iat= 638, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, igr2=1015,1019, &end # # 40 VAL HA 40 VAL QQG 3.39 &rst ixpk= 0, nxpk= 0, iat= 638, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, igr2= 642, 643, 644, 646, 647, 648, &end # # 31 ARG HA 32 ARG QB 5.50 &rst ixpk= 0, nxpk= 0, iat= 465, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 491, 492, &end # # 84 GLU QB 85 LEU HA 4.82 &rst ixpk= 0, nxpk= 0, iat= -1,1339, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, igr1=1326,1327, &end # # 40 VAL HA 63 HIS HD2 4.76 &rst ixpk= 0, nxpk= 0, iat= 638,1038, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end # # 20 ASN HD21 84 GLU QB 5.50 &rst ixpk= 0, nxpk= 0, iat= 297, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1326,1327, &end # # 23 TYR QE 24 ARG QB 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 344, 349, igr2= 359, 360, &end # # 43 VAL QQG 60 VAL HA 4.44 &rst ixpk= 0, nxpk= 0, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1= 677, 678, 679, 681, 682, 683, &end # # 99 HIS QB 99 HIS HD2 3.94 &rst ixpk= 0, nxpk= 0, iat= -1,1580, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, igr1=1571,1572, &end # # 84 GLU H 84 GLU QB 3.91 &rst ixpk= 0, nxpk= 0, iat=1322, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, igr2=1326,1327, &end # # 87 VAL HA 87 VAL QQG 3.44 &rst ixpk= 0, nxpk= 0, iat=1382, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, igr2=1386,1387,1388,1390,1391,1392, &end # # 7 PRO HA 8 PRO QD 3.23 &rst ixpk= 0, nxpk= 0, iat= 108, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, igr2= 113, 114, &end # # 7 PRO HA 8 PRO QD 3.25 &rst ixpk= 0, nxpk= 0, iat= 108, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, igr2= 113, 114, &end # # 7 PRO HA 8 PRO QG 3.91 &rst ixpk= 0, nxpk= 0, iat= 108, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, igr2= 116, 117, &end # # 18 VAL HA 88 GLN H 4.13 &rst ixpk= 0, nxpk= 0, iat= 261,1396, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end # # 18 VAL HA 87 VAL QQG 3.90 &rst ixpk= 0, nxpk= 0, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, igr2=1386,1387,1388,1390,1391,1392, &end # # 6 PRO HA 7 PRO QD 3.74 &rst ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2= 99, 100, &end # # 31 ARG HA 31 ARG QG 3.68 &rst ixpk= 0, nxpk= 0, iat= 465, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, igr2= 470, 471, &end # # 35 GLU H 35 GLU HB3 3.73 &rst ixpk= 0, nxpk= 0, iat= 547, 552, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end # # 35 GLU H 35 GLU HB2 3.72 &rst ixpk= 0, nxpk= 0, iat= 547, 551, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end # # 65 LYS QG 69 GLU QB 4.33 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, igr1=1061,1062, igr2=1126,1127, &end # # 33 VAL HA 36 LYS QD 3.94 &rst ixpk= 0, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, igr2= 572, 573, &end # # 18 VAL HA 34 PHE QE 5.50 &rst ixpk= 0, nxpk= 0, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 537, 541, &end # # 18 VAL HA 34 PHE HZ 5.50 &rst ixpk= 0, nxpk= 0, iat= 261, 539, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 22 THR HA 24 ARG H 4.61 &rst ixpk= 0, nxpk= 0, iat= 322, 355, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end # # 36 LYS QD 37 TYR QE 4.54 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, igr1= 572, 573, igr2= 594, 599, &end # # 22 THR HA 23 TYR QD 4.73 &rst ixpk= 0, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, igr2= 342, 351, &end # # 27 PRO HG3 45 ILE QG2 4.55 &rst ixpk= 0, nxpk= 0, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, igr2= 714, 715, 716, &end # # 52 LYS QB 52 LYS QD 4.20 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, igr1= 840, 841, igr2= 846, 847, &end # # 26 SER QB 27 PRO HG3 4.88 &rst ixpk= 0, nxpk= 0, iat= -1, 409, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, igr1= 397, 398, &end # # 13 MET HA 63 HIS HA 5.25 &rst ixpk= 0, nxpk= 0, iat= 178,1027, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end # # 13 MET QB 63 HIS HA 4.18 &rst ixpk= 0, nxpk= 0, iat= -1,1027, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, igr1= 180, 181, &end # # 13 MET QB 63 HIS HA 4.33 &rst ixpk= 0, nxpk= 0, iat= -1,1027, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, igr1= 180, 181, &end # # 65 LYS HA 89 MET QE 4.21 &rst ixpk= 0, nxpk= 0, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr2=1424,1425,1426, &end # # 65 LYS HA 68 ALA QB 3.42 &rst ixpk= 0, nxpk= 0, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr2=1116,1117,1118, &end # # 69 GLU HA 72 MET HB3 3.52 &rst ixpk= 0, nxpk= 0, iat=1124,1164, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end # # 32 ARG HA 32 ARG QG 3.71 &rst ixpk= 0, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, igr2= 494, 495, &end # # 31 ARG QG 32 ARG H 4.42 &rst ixpk= 0, nxpk= 0, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, igr1= 470, 471, &end # # 31 ARG H 31 ARG QG 4.74 &rst ixpk= 0, nxpk= 0, iat= 463, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, igr2= 470, 471, &end # # 31 ARG QG 43 VAL QQG 4.41 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17, igr1= 470, 471, igr2= 677, 678, 679, 681, 682, 683, &end # # 50 TYR HA 51 THR QG2 4.81 &rst ixpk= 0, nxpk= 0, iat= 803, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, igr2= 828, 829, 830, &end # # 72 MET HA 73 ASP HA 4.92 &rst ixpk= 0, nxpk= 0, iat=1161,1178, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end # # 32 ARG QB 32 ARG QG 2.86 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr1= 491, 492, igr2= 494, 495, &end # # 29 THR HA 32 ARG QG 4.76 &rst ixpk= 0, nxpk= 0, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr2= 494, 495, &end # # 80 LEU HG 81 ASP H 5.23 &rst ixpk= 0, nxpk= 0, iat=1267,1279, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end # # 22 THR HA 83 ARG QG 4.67 &rst ixpk= 0, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, igr2=1305,1306, &end # # 21 LEU QQD 30 LEU H 5.17 &rst ixpk= 0, nxpk= 0, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, igr1= 310, 311, 312, 314, 315, 316, &end # # 21 LEU QQD 58 ALA H 3.98 &rst ixpk= 0, nxpk= 0, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr1= 310, 311, 312, 314, 315, 316, &end # # 36 LYS HB2 37 TYR HA 5.33 &rst ixpk= 0, nxpk= 0, iat= 566, 586, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end # # 20 ASN HD21 86 ARG HG3 4.68 &rst ixpk= 0, nxpk= 0, iat= 297,1364, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end # # 86 ARG HG2 87 VAL H 5.24 &rst ixpk= 0, nxpk= 0, iat=1363,1380, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end # # 86 ARG HG2 86 ARG HE 3.72 &rst ixpk= 0, nxpk= 0, iat=1363,1369, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end # # 83 ARG H 83 ARG QG 4.20 &rst ixpk= 0, nxpk= 0, iat=1298, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, igr2=1305,1306, &end # # 37 TYR HA 71 ALA QB 5.20 &rst ixpk= 0, nxpk= 0, iat= 586, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74, igr2=1153,1154,1155, &end # # 66 ARG HA 69 GLU H 3.94 &rst ixpk= 0, nxpk= 0, iat=1078,1122, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end # # 66 ARG HA 66 ARG QG 3.43 &rst ixpk= 0, nxpk= 0, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, igr2=1083,1084, &end # # 86 ARG H 86 ARG HG2 3.91 &rst ixpk= 0, nxpk= 0, iat=1356,1363, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end # # 16 LEU QQD 34 PHE QD 4.28 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98, igr1= 227, 228, 229, 231, 232, 233, igr2= 535, 543, &end # # 16 LEU HA 16 LEU QQD 4.10 &rst ixpk= 0, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr2= 227, 228, 229, 231, 232, 233, &end # # 16 LEU H 16 LEU QQD 4.33 &rst ixpk= 0, nxpk= 0, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr2= 227, 228, 229, 231, 232, 233, &end # # 16 LEU QQD 72 MET H 4.36 &rst ixpk= 0, nxpk= 0, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1= 227, 228, 229, 231, 232, 233, &end # # 16 LEU QQD 88 GLN H 4.65 &rst ixpk= 0, nxpk= 0, iat= -1,1396, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, igr1= 227, 228, 229, 231, 232, 233, &end # # 16 LEU QQD 62 PHE QE 3.78 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, igr1= 227, 228, 229, 231, 232, 233, igr2=1015,1019, &end # # 16 LEU QQD 68 ALA HA 3.95 &rst ixpk= 0, nxpk= 0, iat= -1,1114, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, igr1= 227, 228, 229, 231, 232, 233, &end # # 16 LEU QQD 72 MET HB3 4.34 &rst ixpk= 0, nxpk= 0, iat= -1,1164, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, igr1= 227, 228, 229, 231, 232, 233, &end # # 2 SER HA 2 SER QB 2.46 &rst ixpk= 0, nxpk= 0, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26, igr2= 25, 26, &end # # 11 GLU HA 11 GLU QG 3.33 &rst ixpk= 0, nxpk= 0, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, igr2= 161, 162, &end # # 57 PHE HA 58 ALA QB 4.44 &rst ixpk= 0, nxpk= 0, iat= 917, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, igr2= 939, 940, 941, &end # # 25 THR HB 58 ALA QB 5.50 &rst ixpk= 0, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 939, 940, 941, &end # # 30 LEU HA 58 ALA QB 5.50 &rst ixpk= 0, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 939, 940, 941, &end # # 79 VAL HA 80 LEU QQD 3.34 &rst ixpk= 0, nxpk= 0, iat=1246, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr2=1269,1270,1271,1273,1274,1275, &end # # 80 LEU QQD 81 ASP QB 5.21 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.88, r4= 8.38, igr1=1269,1270,1271,1273,1274,1275, igr2=1283,1284, &end # # 30 LEU HB3 58 ALA QB 3.72 &rst ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr2= 939, 940, 941, &end # # 45 ILE HA 59 PHE H 4.23 &rst ixpk= 0, nxpk= 0, iat= 710, 945, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end # # 45 ILE HA 58 ALA HA 4.55 &rst ixpk= 0, nxpk= 0, iat= 710, 937, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end # # 45 ILE HA 58 ALA QB 4.01 &rst ixpk= 0, nxpk= 0, iat= 710, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, igr2= 939, 940, 941, &end # # 45 ILE HA 46 PRO QD 4.01 &rst ixpk= 0, nxpk= 0, iat= 710, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr2= 728, 729, &end # # 57 PHE H 58 ALA QB 4.98 &rst ixpk= 0, nxpk= 0, iat= 915, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, igr2= 939, 940, 941, &end # # 58 ALA H 58 ALA QB 3.52 &rst ixpk= 0, nxpk= 0, iat= 935, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, igr2= 939, 940, 941, &end # # 46 PRO QD 58 ALA QB 5.04 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29, igr1= 728, 729, igr2= 939, 940, 941, &end # # 57 PHE HB2 58 ALA QB 5.50 &rst ixpk= 0, nxpk= 0, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 939, 940, 941, &end # # 24 ARG H 24 ARG QG 4.31 &rst ixpk= 0, nxpk= 0, iat= 355, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, igr2= 362, 363, &end # # 30 LEU H 30 LEU QD1 4.46 &rst ixpk= 0, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, igr2= 453, 454, 455, &end # # 30 LEU QD1 31 ARG H 5.14 &rst ixpk= 0, nxpk= 0, iat= -1, 463, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 453, 454, 455, &end # # 30 LEU QD1 60 VAL H 5.49 &rst ixpk= 0, nxpk= 0, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09, igr1= 453, 454, 455, &end # # 30 LEU QD1 34 PHE QE 3.93 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 453, 454, 455, igr2= 537, 541, &end # # 30 LEU HA 30 LEU QD1 3.53 &rst ixpk= 0, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr2= 453, 454, 455, &end # # 30 LEU HB2 30 LEU QD1 4.03 &rst ixpk= 0, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, igr2= 453, 454, 455, &end # # 30 LEU QD1 43 VAL QQG 4.06 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07, igr1= 453, 454, 455, igr2= 677, 678, 679, 681, 682, 683, &end # # 30 LEU QD1 58 ALA QB 4.23 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, igr1= 453, 454, 455, igr2= 939, 940, 941, &end # # 30 LEU HA 34 PHE QD 3.98 &rst ixpk= 0, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr2= 535, 543, &end # # 30 LEU HA 30 LEU QD2 3.38 &rst ixpk= 0, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, igr2= 457, 458, 459, &end # # 85 LEU QQD 86 ARG H 5.14 &rst ixpk= 0, nxpk= 0, iat= -1,1356, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1346,1347,1348,1350,1351,1352, &end # # 30 LEU QD1 33 VAL HB 5.31 &rst ixpk= 0, nxpk= 0, iat= -1, 515, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, igr1= 453, 454, 455, &end # # 62 PHE HA 63 HIS HA 4.51 &rst ixpk= 0, nxpk= 0, iat=1007,1027, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end # # 28 ASP HA 43 VAL QQG 4.89 &rst ixpk= 0, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09, igr2= 677, 678, 679, 681, 682, 683, &end # # 75 MET QB 85 LEU QQD 4.38 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13, igr1=1202,1203, igr2=1346,1347,1348,1350,1351,1352, &end # # 85 LEU QB 85 LEU QQD 3.95 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, igr1=1341,1342, igr2=1346,1347,1348,1350,1351,1352, &end # # 75 MET QE 85 LEU QQD 3.87 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, igr1=1209,1210,1211, igr2=1346,1347,1348,1350,1351,1352, &end # # 34 PHE QE 85 LEU QQD 4.52 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34, igr1= 537, 541, igr2=1346,1347,1348,1350,1351,1352, &end # # 70 ASP HA 74 ALA H 4.85 &rst ixpk= 0, nxpk= 0, iat=1139,1188, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end # # 66 ARG QB 67 ASP HA 4.68 &rst ixpk= 0, nxpk= 0, iat= -1,1102, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, igr1=1080,1081, &end # # 52 LYS HA 52 LYS QG 4.24 &rst ixpk= 0, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr2= 843, 844, &end # # 21 LEU QQD 58 ALA QB 3.19 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr1= 310, 311, 312, 314, 315, 316, igr2= 939, 940, 941, &end # # 59 PHE HA 60 VAL QQG 4.20 &rst ixpk= 0, nxpk= 0, iat= 947, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, igr2= 971, 972, 973, 975, 976, 977, &end # # 55 ARG HA 57 PHE QD 4.65 &rst ixpk= 0, nxpk= 0, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr2= 923, 931, &end # # 33 VAL HA 36 LYS QG 4.38 &rst ixpk= 0, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr2= 569, 570, &end # # 80 LEU QB 80 LEU QQD 3.77 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr1=1264,1265, igr2=1269,1270,1271,1273,1274,1275, &end # # 21 LEU QQD 25 THR QG2 3.56 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, igr1= 310, 311, 312, 314, 315, 316, igr2= 385, 386, 387, &end # # 21 LEU QQD 30 LEU HB3 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 310, 311, 312, 314, 315, 316, &end # # 30 LEU QD2 34 PHE QE 4.16 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1= 457, 458, 459, igr2= 537, 541, &end # # 30 LEU QD2 60 VAL QQG 4.33 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51, igr1= 457, 458, 459, igr2= 971, 972, 973, 975, 976, 977, &end # # 83 ARG H 84 GLU HA 4.96 &rst ixpk= 0, nxpk= 0, iat=1298,1324, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end # # 21 LEU QQD 25 THR HB 3.63 &rst ixpk= 0, nxpk= 0, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, igr1= 310, 311, 312, 314, 315, 316, &end # # 30 LEU QD2 34 PHE QD 4.14 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr1= 457, 458, 459, igr2= 535, 543, &end # # 30 LEU HB3 30 LEU QD2 4.13 &rst ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, igr2= 457, 458, 459, &end # # 44 TYR HA 44 TYR QE 5.50 &rst ixpk= 0, nxpk= 0, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 697, 702, &end # # 89 MET HA 90 ALA QB 4.02 &rst ixpk= 0, nxpk= 0, iat=1415, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr2=1434,1435,1436, &end # # 16 LEU HA 89 MET HA 3.87 &rst ixpk= 0, nxpk= 0, iat= 220,1415, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end # # 84 GLU HA 84 GLU QG 3.42 &rst ixpk= 0, nxpk= 0, iat=1324, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, igr2=1329,1330, &end # # 26 SER HA 30 LEU QD2 5.46 &rst ixpk= 0, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, igr2= 457, 458, 459, &end # # 26 SER HA 45 ILE QG2 5.50 &rst ixpk= 0, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 714, 715, 716, &end # # 87 VAL QQG 89 MET HA 5.34 &rst ixpk= 0, nxpk= 0, iat= -1,1415, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, igr1=1386,1387,1388,1390,1391,1392, &end # # 80 LEU H 84 GLU HA 4.97 &rst ixpk= 0, nxpk= 0, iat=1260,1324, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end # # 23 TYR HB2 24 ARG HA 5.08 &rst ixpk= 0, nxpk= 0, iat= 338, 357, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end # # 26 SER HA 27 PRO HD2 3.48 &rst ixpk= 0, nxpk= 0, iat= 395, 405, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end # # 26 SER HA 27 PRO HD3 3.64 &rst ixpk= 0, nxpk= 0, iat= 395, 406, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end # # 17 LYS HA 90 ALA QB 4.81 &rst ixpk= 0, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, igr2=1434,1435,1436, &end # # 25 THR QG2 26 SER HA 4.79 &rst ixpk= 0, nxpk= 0, iat= -1, 395, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, igr1= 385, 386, 387, &end # # 26 SER HA 45 ILE QG1 5.40 &rst ixpk= 0, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, igr2= 718, 719, &end # # 20 ASN HB3 85 LEU HA 4.21 &rst ixpk= 0, nxpk= 0, iat= 292,1339, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end # # 48 ASP HA 49 ARG HA 4.81 &rst ixpk= 0, nxpk= 0, iat= 767, 779, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end # # 53 GLU HA 54 SER QB 5.50 &rst ixpk= 0, nxpk= 0, iat= 860, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 877, 878, &end # # 16 LEU H 16 LEU QQD 4.26 &rst ixpk= 0, nxpk= 0, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, igr2= 227, 228, 229, 231, 232, 233, &end # # 16 LEU QQD 69 GLU HA 4.04 &rst ixpk= 0, nxpk= 0, iat= -1,1124, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, igr1= 227, 228, 229, 231, 232, 233, &end # # 16 LEU QB 16 LEU QQD 3.24 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, igr1= 222, 223, igr2= 227, 228, 229, 231, 232, 233, &end # # 80 LEU HA 81 ASP HA 4.54 &rst ixpk= 0, nxpk= 0, iat=1262,1281, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end # # 16 LEU QQD 88 GLN H 3.83 &rst ixpk= 0, nxpk= 0, iat= -1,1396, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr1= 227, 228, 229, 231, 232, 233, &end # # 21 LEU HG 57 PHE HA 4.44 &rst ixpk= 0, nxpk= 0, iat= 308, 917, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end # # 81 ASP HA 82 GLY HA2 5.05 &rst ixpk= 0, nxpk= 0, iat=1281,1293, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end # # 18 VAL QQG 87 VAL HA 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1382, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 265, 266, 267, 269, 270, 271, &end # # 18 VAL QQG 60 VAL HB 4.66 &rst ixpk= 0, nxpk= 0, iat= -1, 969, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78, igr1= 265, 266, 267, 269, 270, 271, &end # # 76 ASP HA 85 LEU QQD 4.84 &rst ixpk= 0, nxpk= 0, iat=1217, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02, igr2=1346,1347,1348,1350,1351,1352, &end # # 85 LEU QQD 86 ARG H 4.35 &rst ixpk= 0, nxpk= 0, iat= -1,1356, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, igr1=1346,1347,1348,1350,1351,1352, &end # # 20 ASN HB2 85 LEU QQD 5.50 &rst ixpk= 0, nxpk= 0, iat= 291, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1346,1347,1348,1350,1351,1352, &end # # 20 ASN H 57 PHE HA 4.65 &rst ixpk= 0, nxpk= 0, iat= 287, 917, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end # # 95 PRO QB 97 ASP HA 4.85 &rst ixpk= 0, nxpk= 0, iat= -1,1546, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, igr1=1523,1524, &end # # 37 TYR QD 71 ALA HA 4.20 &rst ixpk= 0, nxpk= 0, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, igr1= 592, 601, &end # # 34 PHE QD 71 ALA HA 5.24 &rst ixpk= 0, nxpk= 0, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1= 535, 543, &end # # 76 ASP HB2 87 VAL QQG 4.07 &rst ixpk= 0, nxpk= 0, iat=1219, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, igr2=1386,1387,1388,1390,1391,1392, &end # # 72 MET QE 87 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=1170,1171,1172, igr2=1386,1387,1388,1390,1391,1392, &end # # 85 LEU QB 87 VAL QQG 5.30 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52, igr1=1341,1342, igr2=1386,1387,1388,1390,1391,1392, &end # # 20 ASN HB3 85 LEU QQD 4.49 &rst ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, igr2=1346,1347,1348,1350,1351,1352, &end # # 31 ARG H 40 VAL QQG 5.50 &rst ixpk= 0, nxpk= 0, iat= 463, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 642, 643, 644, 646, 647, 648, &end # # 35 GLU H 40 VAL QQG 5.50 &rst ixpk= 0, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 642, 643, 644, 646, 647, 648, &end # # 40 VAL QQG 41 GLY QA 4.86 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85, igr1= 642, 643, 644, 646, 647, 648, igr2= 654, 655, &end # # 20 ASN HA 21 LEU HA 5.09 &rst ixpk= 0, nxpk= 0, iat= 289, 303, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end # # 29 THR H 29 THR QG2 3.76 &rst ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, igr2= 436, 437, 438, &end # # 29 THR QG2 32 ARG QB 4.89 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09, igr1= 436, 437, 438, igr2= 491, 492, &end # # 29 THR QG2 30 LEU QD2 4.17 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, igr1= 436, 437, 438, igr2= 457, 458, 459, &end # # 29 THR QG2 32 ARG QG 4.70 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84, igr1= 436, 437, 438, igr2= 494, 495, &end # # 14 THR QG2 68 ALA H 4.24 &rst ixpk= 0, nxpk= 0, iat= -1,1112, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, igr1= 199, 200, 201, &end # # 31 ARG QB 33 VAL QQG 5.18 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34, igr1= 467, 468, igr2= 517, 518, 519, 521, 522, 523, &end # # 40 VAL QQG 42 ASP H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 642, 643, 644, 646, 647, 648, &end # # 34 PHE HB3 40 VAL QQG 4.61 &rst ixpk= 0, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71, igr2= 642, 643, 644, 646, 647, 648, &end # # 20 ASN HD21 83 ARG HA 4.09 &rst ixpk= 0, nxpk= 0, iat= 297,1300, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end # # 5 ARG HA 5 ARG QG 3.22 &rst ixpk= 0, nxpk= 0, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, igr2= 67, 68, &end # # 9 ASP HA 13 MET QE 5.28 &rst ixpk= 0, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84, igr2= 187, 188, 189, &end # # 20 ASN HA 86 ARG HB2 5.47 &rst ixpk= 0, nxpk= 0, iat= 289,1360, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end # # 14 THR QG2 89 MET HG2 4.64 &rst ixpk= 0, nxpk= 0, iat= -1,1420, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr1= 199, 200, 201, &end # # 14 THR QG2 72 MET QE 4.92 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60, igr1= 199, 200, 201, igr2=1170,1171,1172, &end # # 25 THR QG2 30 LEU QD2 2.91 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 385, 386, 387, igr2= 457, 458, 459, &end # # 79 VAL QQG 80 LEU H 4.39 &rst ixpk= 0, nxpk= 0, iat= -1,1260, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, igr1=1250,1251,1252,1254,1255,1256, &end # # 79 VAL QQG 84 GLU HA 3.07 &rst ixpk= 0, nxpk= 0, iat= -1,1324, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, igr1=1250,1251,1252,1254,1255,1256, &end # # 78 ALA QB 79 VAL QQG 4.69 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.59, r4= 8.09, igr1=1238,1239,1240, igr2=1250,1251,1252,1254,1255,1256, &end # # 79 VAL QQG 83 ARG QG 5.25 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44, igr1=1250,1251,1252,1254,1255,1256, igr2=1305,1306, &end # # 31 ARG H 43 VAL QQG 3.95 &rst ixpk= 0, nxpk= 0, iat= 463, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, igr2= 677, 678, 679, 681, 682, 683, &end # # 43 VAL QQG 61 ARG H 5.26 &rst ixpk= 0, nxpk= 0, iat= -1, 981, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr1= 677, 678, 679, 681, 682, 683, &end # # 88 GLN HA 89 MET HG2 4.32 &rst ixpk= 0, nxpk= 0, iat=1398,1420, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end # # 88 GLN HA 88 GLN QG 3.69 &rst ixpk= 0, nxpk= 0, iat=1398, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, igr2=1403,1404, &end # # 87 VAL QQG 88 GLN HA 4.28 &rst ixpk= 0, nxpk= 0, iat= -1,1398, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, igr1=1386,1387,1388,1390,1391,1392, &end # # 19 ASP HA 20 ASN HA 4.84 &rst ixpk= 0, nxpk= 0, iat= 277, 289, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end # # 21 LEU HA 22 THR QG2 5.50 &rst ixpk= 0, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 326, 327, 328, &end # # 61 ARG HA 61 ARG HE 5.18 &rst ixpk= 0, nxpk= 0, iat= 983, 994, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end # # 19 ASP HA 57 PHE HB3 4.71 &rst ixpk= 0, nxpk= 0, iat= 277, 920, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end # # 16 LEU QQD 88 GLN HA 4.27 &rst ixpk= 0, nxpk= 0, iat= -1,1398, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, igr1= 227, 228, 229, 231, 232, 233, &end # # 17 LYS HA 18 VAL QQG 3.99 &rst ixpk= 0, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr2= 265, 266, 267, 269, 270, 271, &end # # 18 VAL QQG 87 VAL HA 4.31 &rst ixpk= 0, nxpk= 0, iat= -1,1382, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, igr1= 265, 266, 267, 269, 270, 271, &end # # 16 LEU HA 90 ALA QB 4.40 &rst ixpk= 0, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr2=1434,1435,1436, &end # # 74 ALA QB 75 MET HA 4.32 &rst ixpk= 0, nxpk= 0, iat= -1,1200, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr1=1192,1193,1194, &end # # 75 MET HA 75 MET QG 4.25 &rst ixpk= 0, nxpk= 0, iat=1200, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr2=1205,1206, &end # # 75 MET HA 78 ALA QB 3.90 &rst ixpk= 0, nxpk= 0, iat=1200, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, igr2=1238,1239,1240, &end # # 79 VAL QQG 81 ASP H 3.95 &rst ixpk= 0, nxpk= 0, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, igr1=1250,1251,1252,1254,1255,1256, &end # # 78 ALA HA 79 VAL QQG 5.50 &rst ixpk= 0, nxpk= 0, iat=1236, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1250,1251,1252,1254,1255,1256, &end # # 79 VAL QQG 84 GLU QG 5.31 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, igr1=1250,1251,1252,1254,1255,1256, igr2=1329,1330, &end # # 79 VAL QQG 80 LEU H 3.24 &rst ixpk= 0, nxpk= 0, iat= -1,1260, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, igr1=1250,1251,1252,1254,1255,1256, &end # # 79 VAL QQG 82 GLY HA2 3.42 &rst ixpk= 0, nxpk= 0, iat= -1,1293, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, igr1=1250,1251,1252,1254,1255,1256, &end # # 17 LYS QB 18 VAL QQG 5.12 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, igr1= 241, 242, igr2= 265, 266, 267, 269, 270, 271, &end # # 64 ASP HA 66 ARG H 4.34 &rst ixpk= 0, nxpk= 0, iat=1044,1076, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end # # 64 ASP HA 65 LYS HB3 4.82 &rst ixpk= 0, nxpk= 0, iat=1044,1059, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end # # 30 LEU QD1 60 VAL QQG 3.45 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, igr1= 453, 454, 455, igr2= 971, 972, 973, 975, 976, 977, &end # # 34 PHE HB2 60 VAL QQG 4.08 &rst ixpk= 0, nxpk= 0, iat= 531, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr2= 971, 972, 973, 975, 976, 977, &end # # 34 PHE HB2 60 VAL QQG 4.71 &rst ixpk= 0, nxpk= 0, iat= 531, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85, igr2= 971, 972, 973, 975, 976, 977, &end # # 34 PHE H 60 VAL QQG 5.50 &rst ixpk= 0, nxpk= 0, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 971, 972, 973, 975, 976, 977, &end # # 34 PHE H 60 VAL QQG 5.50 &rst ixpk= 0, nxpk= 0, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 971, 972, 973, 975, 976, 977, &end # # 59 PHE HZ 90 ALA HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 957,1432, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 10 VAL QQG 11 GLU HA 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 156, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 144, 145, 146, 148, 149, 150, &end # # 10 VAL QQG 63 HIS HB3 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1030, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 144, 145, 146, 148, 149, 150, &end # # 10 VAL QQG 61 ARG QD 3.82 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, igr1= 144, 145, 146, 148, 149, 150, igr2= 991, 992, &end # # 77 GLY QA 78 ALA QB 4.78 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94, igr1=1229,1230, igr2=1238,1239,1240, &end # # 78 ALA QB 85 LEU H 5.16 &rst ixpk= 0, nxpk= 0, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, igr1=1238,1239,1240, &end # # 37 TYR HB3 71 ALA QB 3.74 &rst ixpk= 0, nxpk= 0, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr2=1153,1154,1155, &end # # 16 LEU QQD 71 ALA QB 3.26 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr1= 227, 228, 229, 231, 232, 233, igr2=1153,1154,1155, &end # # 60 VAL QQG 71 ALA QB 5.30 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08, igr1= 971, 972, 973, 975, 976, 977, igr2=1153,1154,1155, &end # # 34 PHE QD 71 ALA QB 3.27 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 535, 543, igr2=1153,1154,1155, &end # # 68 ALA HA 71 ALA QB 3.31 &rst ixpk= 0, nxpk= 0, iat=1114, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, igr2=1153,1154,1155, &end # # 78 ALA HA 79 VAL QQG 4.19 &rst ixpk= 0, nxpk= 0, iat=1236, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, igr2=1250,1251,1252,1254,1255,1256, &end # # 71 ALA QB 72 MET HB2 5.45 &rst ixpk= 0, nxpk= 0, iat= -1,1163, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05, igr1=1153,1154,1155, &end # # 71 ALA QB 87 VAL HB 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1384, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1153,1154,1155, &end # # 8 PRO QD 10 VAL QQG 4.46 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, igr1= 113, 114, igr2= 144, 145, 146, 148, 149, 150, &end # # 10 VAL HA 10 VAL QQG 3.57 &rst ixpk= 0, nxpk= 0, iat= 140, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, igr2= 144, 145, 146, 148, 149, 150, &end # # 10 VAL QQG 61 ARG QD 4.69 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60, igr1= 144, 145, 146, 148, 149, 150, igr2= 991, 992, &end # # 10 VAL H 13 MET QE 4.26 &rst ixpk= 0, nxpk= 0, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, igr2= 187, 188, 189, &end # # 13 MET QE 63 HIS HA 3.27 &rst ixpk= 0, nxpk= 0, iat= -1,1027, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 187, 188, 189, &end # # 10 VAL HA 13 MET QE 3.07 &rst ixpk= 0, nxpk= 0, iat= 140, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, igr2= 187, 188, 189, &end # # 10 VAL QQG 13 MET QE 3.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, igr1= 144, 145, 146, 148, 149, 150, igr2= 187, 188, 189, &end # # 62 PHE H 68 ALA QB 4.47 &rst ixpk= 0, nxpk= 0, iat=1005, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr2=1116,1117,1118, &end # # 62 PHE QD 68 ALA QB 3.73 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr1=1013,1021, igr2=1116,1117,1118, &end # # 62 PHE HB2 68 ALA QB 3.71 &rst ixpk= 0, nxpk= 0, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, igr2=1116,1117,1118, &end # # 16 LEU QB 68 ALA QB 3.75 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr1= 222, 223, igr2=1116,1117,1118, &end # # 14 THR QG2 68 ALA QB 2.69 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, igr1= 199, 200, 201, igr2=1116,1117,1118, &end # # 68 ALA QB 69 GLU H 3.37 &rst ixpk= 0, nxpk= 0, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, igr1=1116,1117,1118, &end # # 68 ALA QB 69 GLU HG2 4.59 &rst ixpk= 0, nxpk= 0, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, igr1=1116,1117,1118, &end # # 17 LYS H 90 ALA QB 4.10 &rst ixpk= 0, nxpk= 0, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr2=1434,1435,1436, &end # # 15 SER HA 90 ALA QB 4.63 &rst ixpk= 0, nxpk= 0, iat= 209, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr2=1434,1435,1436, &end # # 15 SER QB 90 ALA QB 3.97 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, igr1= 211, 212, igr2=1434,1435,1436, &end # # 90 ALA H 90 ALA QB 3.37 &rst ixpk= 0, nxpk= 0, iat=1430, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, igr2=1434,1435,1436, &end # # 59 PHE HZ 90 ALA QB 3.44 &rst ixpk= 0, nxpk= 0, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, igr2=1434,1435,1436, &end # # 15 SER QB 90 ALA QB 3.73 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr1= 211, 212, igr2=1434,1435,1436, &end # # 57 PHE QD 58 ALA HA 4.44 &rst ixpk= 0, nxpk= 0, iat= -1, 937, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, igr1= 923, 931, &end # # 89 MET HA 89 MET QE 3.73 &rst ixpk= 0, nxpk= 0, iat=1415, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, igr2=1424,1425,1426, &end # # 69 GLU HA 89 MET QE 3.55 &rst ixpk= 0, nxpk= 0, iat=1124, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, igr2=1424,1425,1426, &end # # 14 THR QG2 89 MET QE 2.81 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, igr1= 199, 200, 201, igr2=1424,1425,1426, &end # # 16 LEU QQD 89 MET QE 2.98 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, igr1= 227, 228, 229, 231, 232, 233, igr2=1424,1425,1426, &end # # 46 PRO QD 58 ALA HA 4.18 &rst ixpk= 0, nxpk= 0, iat= -1, 937, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, igr1= 728, 729, &end # # 45 ILE QG2 58 ALA HA 4.10 &rst ixpk= 0, nxpk= 0, iat= -1, 937, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr1= 714, 715, 716, &end # # 72 MET HB2 72 MET QE 3.16 &rst ixpk= 0, nxpk= 0, iat=1163, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, igr2=1170,1171,1172, &end # # 68 ALA H 89 MET QE 5.29 &rst ixpk= 0, nxpk= 0, iat=1112, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85, igr2=1424,1425,1426, &end # # 68 ALA QB 72 MET QE 3.75 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, igr1=1116,1117,1118, igr2=1170,1171,1172, &end # # 49 ARG QB 50 TYR QD 4.25 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, igr1= 781, 782, igr2= 809, 818, &end # # 50 TYR QD 51 THR H 3.78 &rst ixpk= 0, nxpk= 0, iat= -1, 822, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1= 809, 818, &end # # 50 TYR H 50 TYR QD 3.33 &rst ixpk= 0, nxpk= 0, iat= 801, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, igr2= 809, 818, &end # # 50 TYR HA 50 TYR QD 3.72 &rst ixpk= 0, nxpk= 0, iat= 803, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, igr2= 809, 818, &end # # 50 TYR QD 51 THR QG2 3.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 809, 818, igr2= 828, 829, 830, &end # # 3 TYR H 3 TYR QD 3.52 &rst ixpk= 0, nxpk= 0, iat= 32, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, igr2= 40, 49, &end # # 3 TYR HA 3 TYR QD 3.54 &rst ixpk= 0, nxpk= 0, iat= 34, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, igr2= 40, 49, &end # # 22 THR QG2 23 TYR QD 4.14 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr1= 326, 327, 328, igr2= 342, 351, &end # # 23 TYR H 23 TYR QD 3.47 &rst ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, igr2= 342, 351, &end # # 57 PHE QD 59 PHE H 4.94 &rst ixpk= 0, nxpk= 0, iat= -1, 945, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr1= 923, 931, &end # # 30 LEU QD1 34 PHE QD 4.09 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, igr1= 453, 454, 455, igr2= 535, 543, &end # # 44 TYR QD 45 ILE H 4.20 &rst ixpk= 0, nxpk= 0, iat= -1, 708, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, igr1= 695, 704, &end # # 17 LYS QB 59 PHE QD 3.87 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, igr1= 241, 242, igr2= 953, 961, &end # # 44 TYR QD 59 PHE QD 4.15 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, igr1= 695, 704, igr2= 953, 961, &end # # 44 TYR HA 44 TYR QD 3.91 &rst ixpk= 0, nxpk= 0, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, igr2= 695, 704, &end # # 59 PHE HA 59 PHE QD 3.85 &rst ixpk= 0, nxpk= 0, iat= 947, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, igr2= 953, 961, &end # # 30 LEU HA 34 PHE QE 4.37 &rst ixpk= 0, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, igr2= 537, 541, &end # # 34 PHE QE 60 VAL QQG 4.99 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05, igr1= 537, 541, igr2= 971, 972, 973, 975, 976, 977, &end # # 34 PHE QE 60 VAL QQG 5.34 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58, igr1= 537, 541, igr2= 971, 972, 973, 975, 976, 977, &end # # 34 PHE QE 75 MET QB 4.53 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, igr1= 537, 541, igr2=1202,1203, &end # # 34 PHE QE 87 VAL HB 4.86 &rst ixpk= 0, nxpk= 0, iat= -1,1384, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, igr1= 537, 541, &end # # 34 PHE HB2 62 PHE HZ 4.47 &rst ixpk= 0, nxpk= 0, iat= 531,1017, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end # # 17 LYS QB 59 PHE HZ 4.57 &rst ixpk= 0, nxpk= 0, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr1= 241, 242, &end # # 34 PHE QD 34 PHE HZ 4.12 &rst ixpk= 0, nxpk= 0, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, igr1= 535, 543, &end # # 18 VAL QQG 34 PHE HZ 3.79 &rst ixpk= 0, nxpk= 0, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, igr1= 265, 266, 267, 269, 270, 271, &end # # 34 PHE HZ 75 MET QB 4.67 &rst ixpk= 0, nxpk= 0, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, igr2=1202,1203, &end # # 34 PHE HZ 85 LEU HG 5.35 &rst ixpk= 0, nxpk= 0, iat= 539,1344, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end # # 63 HIS H 63 HIS HD2 3.37 &rst ixpk= 0, nxpk= 0, iat=1025,1038, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end # # 62 PHE HA 63 HIS HD2 4.54 &rst ixpk= 0, nxpk= 0, iat=1007,1038, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end # # 63 HIS HA 63 HIS HD2 4.41 &rst ixpk= 0, nxpk= 0, iat=1027,1038, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end # # 63 HIS HB2 63 HIS HD2 3.45 &rst ixpk= 0, nxpk= 0, iat=1029,1038, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end # # 39 ARG QD 63 HIS HD2 3.26 &rst ixpk= 0, nxpk= 0, iat= -1,1038, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, igr1= 622, 623, &end # # 40 VAL QQG 63 HIS HD2 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1038, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 642, 643, 644, 646, 647, 648, &end # # 62 PHE HB3 63 HIS HD2 5.36 &rst ixpk= 0, nxpk= 0, iat=1010,1038, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end # # 99 HIS QB 99 HIS HD2 2.88 &rst ixpk= 0, nxpk= 0, iat= -1,1580, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, igr1=1571,1572, &end # # 39 ARG QD 63 HIS HE1 4.84 &rst ixpk= 0, nxpk= 0, iat= -1,1034, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr1= 622, 623, &end # # 41 GLY QA 63 HIS HE1 4.21 &rst ixpk= 0, nxpk= 0, iat= -1,1034, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr1= 654, 655, &end # # 41 GLY QA 63 HIS HE1 4.69 &rst ixpk= 0, nxpk= 0, iat= -1,1034, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, igr1= 654, 655, &end # # 22 THR QG2 23 TYR QE 4.09 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, igr1= 326, 327, 328, igr2= 344, 349, &end # # 23 TYR H 23 TYR QE 4.98 &rst ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, igr2= 344, 349, &end # # 37 TYR HA 37 TYR QE 4.73 &rst ixpk= 0, nxpk= 0, iat= 586, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, igr2= 594, 599, &end # # 49 ARG QB 50 TYR QE 4.14 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr1= 781, 782, igr2= 811, 816, &end # # 49 ARG QD 50 TYR QE 4.84 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, igr1= 787, 788, igr2= 811, 816, &end # # 50 TYR QE 51 THR QG2 4.10 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1= 811, 816, igr2= 828, 829, 830, &end # # 23 TYR QE 24 ARG QD 4.17 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, igr1= 344, 349, igr2= 365, 366, &end # # 102 URA H1' 102 URA H2' 3.50 &rst ixpk= 0, nxpk= 0, iat=1621,1636, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, rk2=50, rk3=50, ir6=1, ialtd=0, &end # # 102 URA H1' 102 URA H3' 5.00 &rst ixpk= 0, nxpk= 0, iat=1621,1634, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 102 URA H1' 102 URA H4' 3.50 &rst ixpk= 0, nxpk= 0, iat=1621,1618, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 102 URA H1' 102 URA Q5' 5.00 &rst ixpk= 0, nxpk= 0, iat=1621, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2=1615,1616, &end # # 102 URA H2' 102 URA H4' 5.00 &rst ixpk= 0, nxpk= 0, iat=1636,1618, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 102 URA H2' 102 URA Q5' 5.00 &rst ixpk= 0, nxpk= 0, iat=1636, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2=1615,1616, &end # # 102 URA H4' 102 URA H3' 4.00 &rst ixpk= 0, nxpk= 0, iat=1618,1634, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 102 URA H4' 102 URA H5' 3.00 &rst ixpk= 0, nxpk= 0, iat=1618,1615, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end # # 102 URA Q5' 102 URA H3' 5.00 &rst ixpk= 0, nxpk= 0, iat= -1,1634, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1615,1616, &end # # 102 URA H6 102 URA H3' 5.00 &rst ixpk= 0, nxpk= 0, iat=1624,1634, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 102 URA H6 102 URA H4' 5.50 &rst ixpk= 0, nxpk= 0, iat=1624,1618, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 102 URA H6 102 URA Q5' 5.50 &rst ixpk= 0, nxpk= 0, iat=1624, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1615,1616, &end # # 102 URA H5 102 URA H6 2.50 &rst ixpk= 0, nxpk= 0, iat=1626,1624, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end # # 102 URA H1' 102 URA H6 3.50 &rst ixpk= 0, nxpk= 0, iat=1621,1624, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 102 URA H4' 103 RGUA H2' 5.50 &rst ixpk= 0, nxpk= 0, iat=1618,1670, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 102 URA H4' 103 RGUA H3' 5.00 &rst ixpk= 0, nxpk= 0, iat=1618,1668, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 102 URA H4' 103 RGUA Q5' 4.50 &rst ixpk= 0, nxpk= 0, iat=1618, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1645,1646, &end # # 102 URA H1' 103 RGUA H2' 5.50 &rst ixpk= 0, nxpk= 0, iat=1621,1670, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 102 URA H1' 103 RGUA H3' 5.50 &rst ixpk= 0, nxpk= 0, iat=1621,1668, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 102 URA H1' 103 RGUA Q5' 5.00 &rst ixpk= 0, nxpk= 0, iat=1621, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2=1645,1646, &end # # 102 URA H3' 103 RGUA H3' 5.50 &rst ixpk= 0, nxpk= 0, iat=1634,1668, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 103 RGUA H1' 103 RGUA H2' 5.00 &rst ixpk= 0, nxpk= 0, iat=1651,1670, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 103 RGUA H1' 103 RGUA H3' 4.50 &rst ixpk= 0, nxpk= 0, iat=1651,1668, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 103 RGUA H1' 103 RGUA H4' 5.00 &rst ixpk= 0, nxpk= 0, iat=1651,1648, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 103 RGUA H1' 103 RGUA H8 3.00 &rst ixpk= 0, nxpk= 0, iat=1651,1654, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end # # 103 RGUA H2' 103 RGUA H3' 3.00 &rst ixpk= 0, nxpk= 0, iat=1670,1668, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end # # 103 RGUA H2' 103 RGUA H4' 5.00 &rst ixpk= 0, nxpk= 0, iat=1670,1648, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 103 RGUA H2' 103 RGUA Q5' 5.00 &rst ixpk= 0, nxpk= 0, iat=1670, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2=1645,1646, &end # # 103 RGUA H2' 103 RGUA H8 5.00 &rst ixpk= 0, nxpk= 0, iat=1670,1654, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 103 RGUA H3' 103 RGUA H4' 4.00 &rst ixpk= 0, nxpk= 0, iat=1668,1648, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 103 RGUA H3' 103 RGUA Q5' 4.50 &rst ixpk= 0, nxpk= 0, iat=1668, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1645,1646, &end # # 103 RGUA H3' 103 RGUA H8 5.50 &rst ixpk= 0, nxpk= 0, iat=1668,1654, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 103 RGUA H4' 103 RGUA Q5' 5.50 &rst ixpk= 0, nxpk= 0, iat=1648, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1645,1646, &end # # 103 RGUA H4' 103 RGUA H8 5.50 &rst ixpk= 0, nxpk= 0, iat=1648,1654, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 104 RGUA H1' 104 RGUA H2' 3.50 &rst ixpk= 0, nxpk= 0, iat=1685,1704, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 104 RGUA H1' 104 RGUA H3' 5.50 &rst ixpk= 0, nxpk= 0, iat=1685,1702, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 104 RGUA H1' 104 RGUA H4' 5.50 &rst ixpk= 0, nxpk= 0, iat=1685,1682, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 104 RGUA H1' 104 RGUA Q5' 5.50 &rst ixpk= 0, nxpk= 0, iat=1685, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1679,1680, &end # # 104 RGUA H1' 104 RGUA H8 3.00 &rst ixpk= 0, nxpk= 0, iat=1685,1688, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end # # 104 RGUA H2' 104 RGUA H3' 3.50 &rst ixpk= 0, nxpk= 0, iat=1704,1702, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 104 RGUA H2' 104 RGUA H4' 5.00 &rst ixpk= 0, nxpk= 0, iat=1704,1682, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 104 RGUA H2' 104 RGUA H8 5.50 &rst ixpk= 0, nxpk= 0, iat=1704,1688, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 104 RGUA H3' 104 RGUA H4' 5.00 &rst ixpk= 0, nxpk= 0, iat=1702,1682, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 104 RGUA H3' 104 RGUA H8 5.50 &rst ixpk= 0, nxpk= 0, iat=1702,1688, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 104 RGUA H1' 105 RADE H3' 5.00 &rst ixpk= 0, nxpk= 0, iat=1685,1735, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 104 RGUA H2' 105 RADE H3' 4.50 &rst ixpk= 0, nxpk= 0, iat=1704,1735, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 104 RGUA H4' 105 RADE H3' 5.50 &rst ixpk= 0, nxpk= 0, iat=1682,1735, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 104 RGUA H8 105 RADE H3' 5.50 &rst ixpk= 0, nxpk= 0, iat=1688,1735, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 105 RADE H1' 105 RADE H4' 5.00 &rst ixpk= 0, nxpk= 0, iat=1719,1716, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 105 RADE H1' 105 RADE Q5' 5.50 &rst ixpk= 0, nxpk= 0, iat=1719, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1713,1714, &end # # 105 RADE H1' 105 RADE H2 5.00 &rst ixpk= 0, nxpk= 0, iat=1719,1731, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 105 RADE H1' 105 RADE H8 4.00 &rst ixpk= 0, nxpk= 0, iat=1719,1722, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 105 RADE H2' 105 RADE H1' 4.00 &rst ixpk= 0, nxpk= 0, iat=1737,1719, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 105 RADE H2' 105 RADE H4' 5.50 &rst ixpk= 0, nxpk= 0, iat=1737,1716, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 105 RADE H2' 105 RADE H8 3.50 &rst ixpk= 0, nxpk= 0, iat=1737,1722, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 105 RADE H3' 105 RADE H1' 4.50 &rst ixpk= 0, nxpk= 0, iat=1735,1719, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 105 RADE H3' 105 RADE H4' 5.00 &rst ixpk= 0, nxpk= 0, iat=1735,1716, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 105 RADE H3' 105 RADE Q5' 5.00 &rst ixpk= 0, nxpk= 0, iat=1735, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2=1713,1714, &end # # 105 RADE H3' 105 RADE H8 4.00 &rst ixpk= 0, nxpk= 0, iat=1735,1722, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 105 RADE H4' 105 RADE Q5' 4.00 &rst ixpk= 0, nxpk= 0, iat=1716, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr2=1713,1714, &end # # 105 RADE H4' 105 RADE H8 5.00 &rst ixpk= 0, nxpk= 0, iat=1716,1722, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 105 RADE Q5' 105 RADE H8 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1722, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1713,1714, &end # # 105 RADE H3' 106 RGUA H8 5.50 &rst ixpk= 0, nxpk= 0, iat=1735,1755, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 105 RADE H4' 106 RGUA H8 5.00 &rst ixpk= 0, nxpk= 0, iat=1716,1755, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 106 RGUA H1' 106 RGUA H2' 4.00 &rst ixpk= 0, nxpk= 0, iat=1752,1771, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 106 RGUA H1' 106 RGUA H3' 4.00 &rst ixpk= 0, nxpk= 0, iat=1752,1769, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 106 RGUA H1' 106 RGUA H4' 5.50 &rst ixpk= 0, nxpk= 0, iat=1752,1749, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 106 RGUA H1' 106 RGUA Q5' 5.50 &rst ixpk= 0, nxpk= 0, iat=1752, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1746,1747, &end # # 106 RGUA H1' 106 RGUA H8 4.50 &rst ixpk= 0, nxpk= 0, iat=1752,1755, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 106 RGUA H2' 106 RGUA Q5' 5.00 &rst ixpk= 0, nxpk= 0, iat=1771, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2=1746,1747, &end # # 106 RGUA H2' 106 RGUA H8 3.00 &rst ixpk= 0, nxpk= 0, iat=1771,1755, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end # # 106 RGUA H3' 106 RGUA Q5' 5.00 &rst ixpk= 0, nxpk= 0, iat=1769, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2=1746,1747, &end # # 106 RGUA H3' 106 RGUA H8 4.00 &rst ixpk= 0, nxpk= 0, iat=1769,1755, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 106 RGUA H4' 106 RGUA Q5' 5.00 &rst ixpk= 0, nxpk= 0, iat=1749, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2=1746,1747, &end # # 106 RGUA H4' 106 RGUA H8 5.00 &rst ixpk= 0, nxpk= 0, iat=1749,1755, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 106 RGUA Q5' 106 RGUA H8 4.50 &rst ixpk= 0, nxpk= 0, iat= -1,1755, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1746,1747, &end # # 106 RGUA H3' 107 URA H1' 5.00 &rst ixpk= 0, nxpk= 0, iat=1769,1786, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 106 RGUA H3' 107 URA H4' 4.50 &rst ixpk= 0, nxpk= 0, iat=1769,1783, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 106 RGUA H3' 107 URA H6 5.00 &rst ixpk= 0, nxpk= 0, iat=1769,1789, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 107 URA H4' 107 URA H1' 4.00 &rst ixpk= 0, nxpk= 0, iat=1783,1786, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 107 URA H4' 107 URA H6 5.00 &rst ixpk= 0, nxpk= 0, iat=1783,1789, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 107 URA H6 107 URA H5 2.50 &rst ixpk= 0, nxpk= 0, iat=1789,1791, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end # # 57 PHE QD 102 URA H1' 5.00 &rst ixpk= 0, nxpk= 0, iat= -1,1621, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1= 923, 931, &end # # 57 PHE QE 102 URA H2' 5.00 &rst ixpk= 0, nxpk= 0, iat= -1,1636, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1= 925, 929, &end # # 17 LYS QG 103 RGUA H8 4.50 &rst ixpk= 0, nxpk= 0, iat= -1,1654, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 244, 245, &end # # 17 LYS QD 103 RGUA H8 5.00 &rst ixpk= 0, nxpk= 0, iat= -1,1654, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1= 247, 248, &end # # 57 PHE QD 103 RGUA H4' 5.00 &rst ixpk= 0, nxpk= 0, iat= -1,1648, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1= 923, 931, &end # # 57 PHE QE 103 RGUA H1' 5.00 &rst ixpk= 0, nxpk= 0, iat= -1,1651, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1= 925, 929, &end # # 57 PHE QE 103 RGUA H3' 5.00 &rst ixpk= 0, nxpk= 0, iat= -1,1668, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1= 925, 929, &end # # 57 PHE QE 103 RGUA H4' 4.00 &rst ixpk= 0, nxpk= 0, iat= -1,1648, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1= 925, 929, &end # # 59 PHE QD 103 RGUA H1' 3.50 &rst ixpk= 0, nxpk= 0, iat= -1,1651, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 953, 961, &end # # 59 PHE QD 103 RGUA H8 3.50 &rst ixpk= 0, nxpk= 0, iat= -1,1654, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 953, 961, &end # # 90 ALA QB 103 RGUA H8 3.50 &rst ixpk= 0, nxpk= 0, iat= -1,1654, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1434,1435,1436, &end # # 92 TYR HA 103 RGUA H8 5.50 &rst ixpk= 0, nxpk= 0, iat=1466,1654, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 92 TYR QB 103 RGUA H8 4.00 &rst ixpk= 0, nxpk= 0, iat= -1,1654, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1=1468,1469, &end # # 92 TYR QD 103 RGUA H1' 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1651, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1472,1481, &end # # 92 TYR QD 103 RGUA H8 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1654, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1472,1481, &end # # 92 TYR QE 103 RGUA H1' 5.00 &rst ixpk= 0, nxpk= 0, iat= -1,1651, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1474,1479, &end # # 92 TYR QE 103 RGUA H3' 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1668, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1474,1479, &end # # 92 TYR QE 103 RGUA H3' 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1668, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1474,1479, &end # # 92 TYR QE 103 RGUA H8 5.00 &rst ixpk= 0, nxpk= 0, iat= -1,1654, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1474,1479, &end # # 44 TYR QD 104 RGUA H1' 4.50 &rst ixpk= 0, nxpk= 0, iat= -1,1685, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 695, 704, &end # # 44 TYR QD 104 RGUA H8 4.00 &rst ixpk= 0, nxpk= 0, iat= -1,1688, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1= 695, 704, &end # # 44 TYR QE 104 RGUA H1' 3.50 &rst ixpk= 0, nxpk= 0, iat= -1,1685, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 697, 702, &end # # 44 TYR QE 104 RGUA H3' 5.00 &rst ixpk= 0, nxpk= 0, iat= -1,1702, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1= 697, 702, &end # # 44 TYR QE 104 RGUA H8 3.50 &rst ixpk= 0, nxpk= 0, iat= -1,1688, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 697, 702, &end # # 46 PRO QG 104 RGUA H1' 5.00 &rst ixpk= 0, nxpk= 0, iat= -1,1685, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1= 731, 732, &end # # 46 PRO HD3 104 RGUA H1' 5.00 &rst ixpk= 0, nxpk= 0, iat= 729,1685, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 57 PHE QE 104 RGUA H4' 4.50 &rst ixpk= 0, nxpk= 0, iat= -1,1682, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 925, 929, &end # # 57 PHE QE 104 RGUA Q5' 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 925, 929, igr2=1679,1680, &end # # 59 PHE QE 104 RGUA H1' 4.50 &rst ixpk= 0, nxpk= 0, iat= -1,1685, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 955, 959, &end # # 59 PHE QE 104 RGUA H2' 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1704, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 955, 959, &end # # 59 PHE QE 104 RGUA H8 4.50 &rst ixpk= 0, nxpk= 0, iat= -1,1688, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 955, 959, &end # # 61 ARG QB 104 RGUA H8 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1688, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 985, 986, &end # # 61 ARG QD 104 RGUA H8 5.00 &rst ixpk= 0, nxpk= 0, iat= -1,1688, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1= 991, 992, &end # # 95 PRO QG 104 RGUA H1' 5.00 &rst ixpk= 0, nxpk= 0, iat= -1,1685, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1520,1521, &end # # 95 PRO QG 104 RGUA H2' 5.00 &rst ixpk= 0, nxpk= 0, iat= -1,1704, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1520,1521, &end # # 95 PRO HD2 104 RGUA H1' 5.50 &rst ixpk= 0, nxpk= 0, iat=1517,1685, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 95 PRO HD3 104 RGUA H1' 5.50 &rst ixpk= 0, nxpk= 0, iat=1518,1685, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 95 PRO HD2 104 RGUA H2' 5.50 &rst ixpk= 0, nxpk= 0, iat=1517,1704, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 95 PRO HD3 104 RGUA H2' 5.50 &rst ixpk= 0, nxpk= 0, iat=1518,1704, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 17 LYS QD 104 RGUA H1 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1694, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 247, 248, &end # # 90 ALA HA 104 RGUA H1 5.50 &rst ixpk= 0, nxpk= 0, iat=1432,1694, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 90 ALA QB 104 RGUA H1 4.50 &rst ixpk= 0, nxpk= 0, iat= -1,1694, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1434,1435,1436, &end # # 92 TYR QB 104 RGUA H1 5.00 &rst ixpk= 0, nxpk= 0, iat= -1,1694, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1468,1469, &end # # 92 TYR QD 104 RGUA H1 4.50 &rst ixpk= 0, nxpk= 0, iat= -1,1694, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1472,1481, &end # # 46 PRO QG 105 RADE H8 5.00 &rst ixpk= 0, nxpk= 0, iat= -1,1722, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1= 731, 732, &end # # 48 ASP HA 105 RADE H2 4.50 &rst ixpk= 0, nxpk= 0, iat= 767,1731, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 48 ASP QB 105 RADE H2 5.00 &rst ixpk= 0, nxpk= 0, iat= -1,1731, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1= 769, 770, &end # # 49 ARG HB3 105 RADE H1' 5.00 &rst ixpk= 0, nxpk= 0, iat= 782,1719, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 49 ARG HB3 105 RADE H2 5.50 &rst ixpk= 0, nxpk= 0, iat= 782,1731, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 49 ARG HB3 105 RADE H8 5.00 &rst ixpk= 0, nxpk= 0, iat= 782,1722, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 49 ARG QD 105 RADE H1' 5.00 &rst ixpk= 0, nxpk= 0, iat= -1,1719, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1= 787, 788, &end # # 49 ARG QD 105 RADE H2 4.50 &rst ixpk= 0, nxpk= 0, iat= -1,1731, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 787, 788, &end # # 49 ARG QD 105 RADE H8 5.00 &rst ixpk= 0, nxpk= 0, iat= -1,1722, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1= 787, 788, &end # # 50 TYR QE 105 RADE H2 4.50 &rst ixpk= 0, nxpk= 0, iat= -1,1731, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 811, 816, &end # # 95 PRO QG 105 RADE H1' 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1719, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1520,1521, &end # # 95 PRO QG 105 RADE H8 4.50 &rst ixpk= 0, nxpk= 0, iat= -1,1722, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1520,1521, &end # # 98 SER QB 105 RADE H1' 4.50 &rst ixpk= 0, nxpk= 0, iat= -1,1719, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1560,1561, &end # # 98 SER QB 105 RADE H2 4.50 &rst ixpk= 0, nxpk= 0, iat= -1,1731, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1560,1561, &end # # 98 SER QB 105 RADE H8 5.00 &rst ixpk= 0, nxpk= 0, iat= -1,1722, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1560,1561, &end # # 99 HIS QB 105 RADE H1' 5.00 &rst ixpk= 0, nxpk= 0, iat= -1,1719, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1571,1572, &end # # 99 HIS QB 105 RADE H2 4.50 &rst ixpk= 0, nxpk= 0, iat= -1,1731, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1571,1572, &end # # 99 HIS QB 105 RADE H8 5.00 &rst ixpk= 0, nxpk= 0, iat= -1,1722, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1571,1572, &end # # 44 TYR QD 106 RGUA H1' 5.00 &rst ixpk= 0, nxpk= 0, iat= -1,1752, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1= 695, 704, &end # # 44 TYR QE 106 RGUA H1' 4.00 &rst ixpk= 0, nxpk= 0, iat= -1,1752, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1= 697, 702, &end # # 44 TYR QE 106 RGUA H8 5.00 &rst ixpk= 0, nxpk= 0, iat= -1,1755, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1= 697, 702, &end # # 3 TYR HB2 106 RGUA H1' 4.50 &rst ixpk= 0, nxpk= 0, iat= 36,1752, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 3 TYR HB3 106 RGUA H1' 4.50 &rst ixpk= 0, nxpk= 0, iat= 37,1752, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 4 GLY QA 106 RGUA H1' 4.50 &rst ixpk= 0, nxpk= 0, iat= -1,1752, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 55, 56, &end # # 5 ARG HA 106 RGUA H1' 4.50 &rst ixpk= 0, nxpk= 0, iat= 62,1752, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 5 ARG QB 106 RGUA H1' 5.00 &rst ixpk= 0, nxpk= 0, iat= -1,1752, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1= 64, 65, &end # # 6 PRO QD 106 RGUA H1' 4.50 &rst ixpk= 0, nxpk= 0, iat= -1,1752, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 85, 86, &end # # 4 GLY QA 107 URA H1' 5.00 &rst ixpk= 0, nxpk= 0, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1= 55, 56, &end # # 4 GLY QA 107 URA H2' 4.50 &rst ixpk= 0, nxpk= 0, iat= -1,1801, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 55, 56, &end # # 4 GLY QA 107 URA H3' 4.50 &rst ixpk= 0, nxpk= 0, iat= -1,1799, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 55, 56, &end # # 4 GLY QA 107 URA H6 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1789, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 55, 56, &end # # 5 ARG QG 107 URA H1' 4.50 &rst ixpk= 0, nxpk= 0, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 67, 68, &end # # 5 ARG QG 107 URA H2' 4.50 &rst ixpk= 0, nxpk= 0, iat= -1,1801, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 67, 68, &end # # 5 ARG QG 107 URA H3' 4.00 &rst ixpk= 0, nxpk= 0, iat= -1,1799, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1= 67, 68, &end # # 5 ARG QG 107 URA H6 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1789, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 67, 68, &end # # 5 ARG QD 107 URA H1' 4.00 &rst ixpk= 0, nxpk= 0, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1= 70, 71, &end # # 5 ARG QD 107 URA H2' 4.50 &rst ixpk= 0, nxpk= 0, iat= -1,1801, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 70, 71, &end # # 5 ARG QD 107 URA H3' 4.00 &rst ixpk= 0, nxpk= 0, iat= -1,1799, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1= 70, 71, &end # # 5 ARG QD 107 URA H6 5.00 &rst ixpk= 0, nxpk= 0, iat= -1,1789, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1= 70, 71, &end # # 42 ASP QB 10 VAL QG1 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 663, 664, igr2= 144, 145, 146, &end # # 61 ARG QD 10 VAL QG1 5.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1= 991, 992, igr2= 144, 145, 146, &end # # 3 TYR QE 40 VAL QG1 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 42, 47, igr2= 642, 643, 644, &end # # 3 TYR QE 43 VAL QG2 5.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1= 42, 47, igr2= 681, 682, 683, &end
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