NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
621661 | 5m8i | 34057 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
# Restraints file 1: RST # # 49 PHE HB3 86 ALA QB 4.98 &rst ixpk= 0, nxpk= 0, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, rk2=20, rk3=20, ir6=1, ialtd=0, igr2=1299,1300,1301, &end # # 86 ALA QB 90 MET H 4.82 &rst ixpk= 0, nxpk= 0, iat= -1,1351, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, igr1=1299,1300,1301, &end # # 86 ALA QB 87 ILE HA 4.45 &rst ixpk= 0, nxpk= 0, iat= -1,1307, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr1=1299,1300,1301, &end # # 86 ALA QB 87 ILE H 3.22 &rst ixpk= 0, nxpk= 0, iat= -1,1305, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, igr1=1299,1300,1301, &end # # 86 ALA H 86 ALA QB 2.71 &rst ixpk= 0, nxpk= 0, iat=1295, -1, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, igr2=1299,1300,1301, &end # # 83 ALA HA 86 ALA QB 3.30 &rst ixpk= 0, nxpk= 0, iat=1260, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr2=1299,1300,1301, &end # # 52 PHE HB3 86 ALA QB 3.72 &rst ixpk= 0, nxpk= 0, iat= 785, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr2=1299,1300,1301, &end # # 52 PHE HB2 86 ALA QB 3.96 &rst ixpk= 0, nxpk= 0, iat= 784, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr2=1299,1300,1301, &end # # 86 ALA QB 87 ILE HG13 4.70 &rst ixpk= 0, nxpk= 0, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, igr1=1299,1300,1301, &end # # 49 PHE HA 86 ALA QB 4.94 &rst ixpk= 0, nxpk= 0, iat= 731, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, igr2=1299,1300,1301, &end # # 77 TYR QD 86 ALA QB 4.52 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, igr1=1178,1187, igr2=1299,1300,1301, &end # # 95 ILE HA 96 GLY HA2 4.52 &rst ixpk= 0, nxpk= 0, iat=1428,1447, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end # # 96 GLY HA3 98 LYS H 4.74 &rst ixpk= 0, nxpk= 0, iat=1448,1469, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end # # 95 ILE HA 96 GLY HA3 4.52 &rst ixpk= 0, nxpk= 0, iat=1428,1448, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end # # 45 ILE QG2 46 LEU H 2.96 &rst ixpk= 0, nxpk= 0, iat= -1, 676, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, igr1= 663, 664, 665, &end # # 45 ILE H 45 ILE QG2 3.08 &rst ixpk= 0, nxpk= 0, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, igr2= 663, 664, 665, &end # # 44 ASP H 45 ILE QG2 4.32 &rst ixpk= 0, nxpk= 0, iat= 645, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr2= 663, 664, 665, &end # # 45 ILE QG2 58 ALA HA 4.02 &rst ixpk= 0, nxpk= 0, iat= -1, 869, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr1= 663, 664, 665, &end # # 45 ILE QG2 59 LYS HA 4.45 &rst ixpk= 0, nxpk= 0, iat= -1, 879, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr1= 663, 664, 665, &end # # 45 ILE HA 45 ILE QG2 3.35 &rst ixpk= 0, nxpk= 0, iat= 659, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, igr2= 663, 664, 665, &end # # 42 ASP HA 45 ILE QG2 2.92 &rst ixpk= 0, nxpk= 0, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, igr2= 663, 664, 665, &end # # 45 ILE QG2 46 LEU HA 3.74 &rst ixpk= 0, nxpk= 0, iat= -1, 678, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1= 663, 664, 665, &end # # 45 ILE QG2 45 ILE HG13 3.22 &rst ixpk= 0, nxpk= 0, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, igr1= 663, 664, 665, &end # # 45 ILE QG2 58 ALA QB 2.75 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, igr1= 663, 664, 665, igr2= 871, 872, 873, &end # # 45 ILE QG2 45 ILE QD1 2.58 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, igr1= 663, 664, 665, igr2= 670, 671, 672, &end # # 81 VAL H 83 ALA QB 5.00 &rst ixpk= 0, nxpk= 0, iat=1231, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2=1262,1263,1264, &end # # 83 ALA QB 87 ILE H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1305, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1262,1263,1264, &end # # 83 ALA QB 84 GLN H 3.06 &rst ixpk= 0, nxpk= 0, iat= -1,1268, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, igr1=1262,1263,1264, &end # # 77 TYR QE 83 ALA QB 4.07 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, igr1=1180,1185, igr2=1262,1263,1264, &end # # 83 ALA H 83 ALA QB 2.84 &rst ixpk= 0, nxpk= 0, iat=1258, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, igr2=1262,1263,1264, &end # # 29 ALA HA 83 ALA QB 2.86 &rst ixpk= 0, nxpk= 0, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, igr2=1262,1263,1264, &end # # 80 PRO HA 83 ALA QB 3.17 &rst ixpk= 0, nxpk= 0, iat=1227, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, igr2=1262,1263,1264, &end # # 77 TYR HB3 83 ALA QB 4.27 &rst ixpk= 0, nxpk= 0, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr2=1262,1263,1264, &end # # 80 PRO HB2 83 ALA QB 4.58 &rst ixpk= 0, nxpk= 0, iat=1224, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr2=1262,1263,1264, &end # # 83 ALA QB 84 GLN QB 4.89 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09, igr1=1262,1263,1264, igr2=1272,1273, &end # # 83 ALA QB 87 ILE HG13 3.86 &rst ixpk= 0, nxpk= 0, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, igr1=1262,1263,1264, &end # # 29 ALA QB 83 ALA QB 3.56 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr1= 407, 408, 409, igr2=1262,1263,1264, &end # # 77 TYR HB2 83 ALA QB 4.35 &rst ixpk= 0, nxpk= 0, iat=1174, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr2=1262,1263,1264, &end # # 75 VAL QG1 83 ALA QB 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1=1149,1150,1151, igr2=1262,1263,1264, &end # # 85 ALA H 85 ALA QB 2.54 &rst ixpk= 0, nxpk= 0, iat=1285, -1, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, igr2=1289,1290,1291, &end # # 85 ALA QB 86 ALA H 2.85 &rst ixpk= 0, nxpk= 0, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, igr1=1289,1290,1291, &end # # 52 PHE HB3 85 ALA QB 3.86 &rst ixpk= 0, nxpk= 0, iat= 785, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, igr2=1289,1290,1291, &end # # 85 ALA QB 86 ALA HA 3.63 &rst ixpk= 0, nxpk= 0, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, igr1=1289,1290,1291, &end # # 85 ALA QB 86 ALA QB 3.70 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr1=1289,1290,1291, igr2=1299,1300,1301, &end # # 72 PHE QD 73 GLY HA3 5.41 &rst ixpk= 0, nxpk= 0, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1104,1112, &end # # 61 PHE H 73 GLY HA3 4.81 &rst ixpk= 0, nxpk= 0, iat= 915,1119, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end # # 92 GLY HA3 99 ARG HG2 5.42 &rst ixpk= 0, nxpk= 0, iat=1385,1498, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end # # 28 GLY HA3 30 ASN H 5.05 &rst ixpk= 0, nxpk= 0, iat= 399, 413, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end # # 45 ILE QD1 73 GLY HA2 4.79 &rst ixpk= 0, nxpk= 0, iat= -1,1118, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, igr1= 670, 671, 672, &end # # 73 GLY HA3 74 PHE HA 5.03 &rst ixpk= 0, nxpk= 0, iat=1119,1125, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end # # 45 ILE QG2 73 GLY HA3 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 663, 664, 665, &end # # 33 ILE QD1 73 GLY HA3 5.16 &rst ixpk= 0, nxpk= 0, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, igr1= 479, 480, 481, &end # # 73 GLY HA3 75 VAL QG2 5.50 &rst ixpk= 0, nxpk= 0, iat=1119, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1153,1154,1155, &end # # 31 LEU HB3 32 PHE HA 5.24 &rst ixpk= 0, nxpk= 0, iat= 432, 448, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end # # 31 LEU HB3 104 LEU HA 5.47 &rst ixpk= 0, nxpk= 0, iat= 432,1591, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end # # 31 LEU HB3 75 VAL H 5.16 &rst ixpk= 0, nxpk= 0, iat= 432,1143, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end # # 31 LEU HB3 103 GLN H 5.30 &rst ixpk= 0, nxpk= 0, iat= 432,1572, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 60 VAL H 73 GLY HA2 5.50 &rst ixpk= 0, nxpk= 0, iat= 899,1118, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 61 PHE QD 73 GLY HA3 4.90 &rst ixpk= 0, nxpk= 0, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr1= 923, 931, &end # # 61 PHE QE 73 GLY HA3 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 925, 929, &end # # 92 GLY HA2 99 ARG HB2 4.77 &rst ixpk= 0, nxpk= 0, iat=1384,1495, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end # # 92 GLY HA2 99 ARG HB3 4.77 &rst ixpk= 0, nxpk= 0, iat=1384,1496, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end # # 92 GLY HA2 99 ARG HG2 4.74 &rst ixpk= 0, nxpk= 0, iat=1384,1498, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end # # 31 LEU HB2 32 PHE H 4.52 &rst ixpk= 0, nxpk= 0, iat= 431, 446, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end # # 31 LEU HB2 33 ILE QD1 4.31 &rst ixpk= 0, nxpk= 0, iat= 431, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, igr2= 479, 480, 481, &end # # 31 LEU HB2 75 VAL QG1 4.70 &rst ixpk= 0, nxpk= 0, iat= 431, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, igr2=1149,1150,1151, &end # # 31 LEU HB3 102 VAL QG1 3.79 &rst ixpk= 0, nxpk= 0, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, igr2=1562,1563,1564, &end # # 31 LEU HB3 31 LEU QD2 4.14 &rst ixpk= 0, nxpk= 0, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr2= 440, 441, 442, &end # # 31 LEU HB3 33 ILE QD1 3.87 &rst ixpk= 0, nxpk= 0, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr2= 479, 480, 481, &end # # 87 ILE QG2 102 VAL H 4.90 &rst ixpk= 0, nxpk= 0, iat= -1,1556, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1=1311,1312,1313, &end # # 56 ILE H 56 ILE QG2 3.82 &rst ixpk= 0, nxpk= 0, iat= 837, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, igr2= 843, 844, 845, &end # # 54 ASN HD22 56 ILE QG2 4.68 &rst ixpk= 0, nxpk= 0, iat= 816, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, igr2= 843, 844, 845, &end # # 28 GLY HA3 104 LEU QQD 4.11 &rst ixpk= 0, nxpk= 0, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr2=1598,1599,1600,1602,1603,1604, &end # # 28 GLY HA3 80 PRO HB3 4.00 &rst ixpk= 0, nxpk= 0, iat= 399,1225, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 28 GLY HA2 104 LEU HG 5.24 &rst ixpk= 0, nxpk= 0, iat= 398,1596, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end # # 87 ILE QG2 91 ASN H 4.02 &rst ixpk= 0, nxpk= 0, iat= -1,1368, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr1=1311,1312,1313, &end # # 87 ILE H 87 ILE QG2 3.90 &rst ixpk= 0, nxpk= 0, iat=1305, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, igr2=1311,1312,1313, &end # # 87 ILE QG2 91 ASN HD21 3.72 &rst ixpk= 0, nxpk= 0, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr1=1311,1312,1313, &end # # 87 ILE QG2 89 ALA H 4.56 &rst ixpk= 0, nxpk= 0, iat= -1,1341, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, igr1=1311,1312,1313, &end # # 87 ILE QG2 91 ASN HA 4.77 &rst ixpk= 0, nxpk= 0, iat= -1,1370, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, igr1=1311,1312,1313, &end # # 87 ILE HA 87 ILE QG2 2.89 &rst ixpk= 0, nxpk= 0, iat=1307, -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, igr2=1311,1312,1313, &end # # 87 ILE QG2 91 ASN HB3 3.32 &rst ixpk= 0, nxpk= 0, iat= -1,1373, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, igr1=1311,1312,1313, &end # # 87 ILE QG2 91 ASN HB2 3.24 &rst ixpk= 0, nxpk= 0, iat= -1,1372, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, igr1=1311,1312,1313, &end # # 87 ILE QG2 88 GLN QG 3.70 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, igr1=1311,1312,1313, igr2=1331,1332, &end # # 87 ILE QG2 87 ILE HG12 2.83 &rst ixpk= 0, nxpk= 0, iat= -1,1315, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, igr1=1311,1312,1313, &end # # 87 ILE QG2 103 GLN H 5.04 &rst ixpk= 0, nxpk= 0, iat= -1,1572, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, igr1=1311,1312,1313, &end # # 56 ILE QG2 57 SER HA 4.31 &rst ixpk= 0, nxpk= 0, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, igr1= 843, 844, 845, &end # # 56 ILE HA 56 ILE QG2 2.89 &rst ixpk= 0, nxpk= 0, iat= 839, -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, igr2= 843, 844, 845, &end # # 56 ILE QG2 57 SER HB2 4.05 &rst ixpk= 0, nxpk= 0, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, igr1= 843, 844, 845, &end # # 56 ILE QG2 56 ILE HG13 3.23 &rst ixpk= 0, nxpk= 0, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, igr1= 843, 844, 845, &end # # 17 ARG QD 18 GLY QA 4.80 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, igr1= 240, 241, igr2= 256, 257, &end # # 13 GLY QA 14 LEU HB3 5.14 &rst ixpk= 0, nxpk= 0, iat= -1, 186, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, igr1= 176, 177, &end # # 53 GLY HA2 77 TYR QE 5.36 &rst ixpk= 0, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, igr2=1180,1185, &end # # 95 ILE QG2 100 LEU H 4.16 &rst ixpk= 0, nxpk= 0, iat= -1,1515, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1=1432,1433,1434, &end # # 95 ILE H 95 ILE QG2 3.23 &rst ixpk= 0, nxpk= 0, iat=1426, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, igr2=1432,1433,1434, &end # # 95 ILE QG2 98 LYS H 4.35 &rst ixpk= 0, nxpk= 0, iat= -1,1469, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr1=1432,1433,1434, &end # # 93 PHE QD 95 ILE QG2 4.26 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, igr1=1397,1405, igr2=1432,1433,1434, &end # # 94 GLN HA 95 ILE QG2 4.87 &rst ixpk= 0, nxpk= 0, iat=1411, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, igr2=1432,1433,1434, &end # # 37 PRO HD3 95 ILE QG2 3.67 &rst ixpk= 0, nxpk= 0, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr2=1432,1433,1434, &end # # 37 PRO HD2 95 ILE QG2 3.81 &rst ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr2=1432,1433,1434, &end # # 95 ILE QG2 100 LEU HG 3.91 &rst ixpk= 0, nxpk= 0, iat= -1,1522, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, igr1=1432,1433,1434, &end # # 95 ILE QG2 98 LYS QB 4.02 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, igr1=1432,1433,1434, igr2=1473,1474, &end # # 95 ILE QG2 95 ILE HG12 2.96 &rst ixpk= 0, nxpk= 0, iat= -1,1436, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, igr1=1432,1433,1434, &end # # 37 PRO QG 95 ILE QG2 3.71 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 547, 548, igr2=1432,1433,1434, &end # # 95 ILE QG2 95 ILE HG13 3.28 &rst ixpk= 0, nxpk= 0, iat= -1,1437, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, igr1=1432,1433,1434, &end # # 62 ILE QG2 63 ASP HB2 4.84 &rst ixpk= 0, nxpk= 0, iat= -1, 958, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, igr1= 941, 942, 943, &end # # 52 PHE HB3 53 GLY HA3 5.01 &rst ixpk= 0, nxpk= 0, iat= 785, 803, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end # # 53 GLY HA3 82 SER HB2 4.54 &rst ixpk= 0, nxpk= 0, iat= 803,1251, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end # # 53 GLY HA3 82 SER HB3 4.54 &rst ixpk= 0, nxpk= 0, iat= 803,1252, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end # # 53 GLY HA2 77 TYR QD 4.86 &rst ixpk= 0, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, igr2=1178,1187, &end # # 52 PHE H 53 GLY HA2 5.25 &rst ixpk= 0, nxpk= 0, iat= 780, 802, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end # # 53 GLY HA2 54 ASN QB 4.40 &rst ixpk= 0, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, igr2= 811, 812, &end # # 21 MET HA 21 MET QE 4.50 &rst ixpk= 0, nxpk= 0, iat= 291, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 300, 301, 302, &end # # 62 ILE QG2 63 ASP H 3.15 &rst ixpk= 0, nxpk= 0, iat= -1, 954, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, igr1= 941, 942, 943, &end # # 62 ILE QG2 67 ASN H 3.79 &rst ixpk= 0, nxpk= 0, iat= -1,1019, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, igr1= 941, 942, 943, &end # # 62 ILE H 62 ILE QG2 4.02 &rst ixpk= 0, nxpk= 0, iat= 935, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr2= 941, 942, 943, &end # # 62 ILE HA 62 ILE QG2 3.01 &rst ixpk= 0, nxpk= 0, iat= 937, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, igr2= 941, 942, 943, &end # # 62 ILE QG2 67 ASN HA 3.08 &rst ixpk= 0, nxpk= 0, iat= -1,1021, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, igr1= 941, 942, 943, &end # # 62 ILE QG2 70 LYS QG 4.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr1= 941, 942, 943, igr2=1070,1071, &end # # 62 ILE QG2 62 ILE HG13 2.89 &rst ixpk= 0, nxpk= 0, iat= -1, 946, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, igr1= 941, 942, 943, &end # # 53 GLY HA3 82 SER H 5.50 &rst ixpk= 0, nxpk= 0, iat= 803,1247, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 20 HIS H 21 MET QE 5.50 &rst ixpk= 0, nxpk= 0, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 300, 301, 302, &end # # 21 MET QE 22 GLN H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 300, 301, 302, &end # # 62 ILE QG2 70 LYS H 4.61 &rst ixpk= 0, nxpk= 0, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr1= 941, 942, 943, &end # # 62 ILE QG2 70 LYS QE 5.45 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85, igr1= 941, 942, 943, igr2=1076,1077, &end # # 97 MET HA 97 MET QE 4.48 &rst ixpk= 0, nxpk= 0, iat=1454, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr2=1463,1464,1465, &end # # 50 MET HB2 50 MET QE 2.70 &rst ixpk= 0, nxpk= 0, iat= 753, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, igr2= 760, 761, 762, &end # # 50 MET H 50 MET QE 4.73 &rst ixpk= 0, nxpk= 0, iat= 749, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr2= 760, 761, 762, &end # # 50 MET HA 50 MET QE 4.76 &rst ixpk= 0, nxpk= 0, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, igr2= 760, 761, 762, &end # # 50 MET QG 50 MET QE 2.79 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, igr1= 756, 757, igr2= 760, 761, 762, &end # # 32 PHE QD 33 ILE QD1 5.06 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32, igr1= 454, 462, igr2= 479, 480, 481, &end # # 24 GLU HA 25 GLY HA2 5.02 &rst ixpk= 0, nxpk= 0, iat= 347, 362, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end # # 25 GLY HA2 26 PRO HD2 3.64 &rst ixpk= 0, nxpk= 0, iat= 362, 368, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end # # 25 GLY HA2 26 PRO HG3 5.39 &rst ixpk= 0, nxpk= 0, iat= 362, 372, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end # # 25 GLY HA2 29 ALA QB 4.29 &rst ixpk= 0, nxpk= 0, iat= 362, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, igr2= 407, 408, 409, &end # # 33 ILE QD1 74 PHE HA 3.79 &rst ixpk= 0, nxpk= 0, iat= -1,1125, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, igr1= 479, 480, 481, &end # # 33 ILE HA 33 ILE QD1 3.77 &rst ixpk= 0, nxpk= 0, iat= 468, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr2= 479, 480, 481, &end # # 33 ILE QD1 49 PHE HB2 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 733, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 479, 480, 481, &end # # 33 ILE HB 33 ILE QD1 3.10 &rst ixpk= 0, nxpk= 0, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, igr2= 479, 480, 481, &end # # 33 ILE QD1 75 VAL HB 3.07 &rst ixpk= 0, nxpk= 0, iat= -1,1147, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, igr1= 479, 480, 481, &end # # 33 ILE QD1 45 ILE QD1 2.84 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, igr1= 479, 480, 481, igr2= 670, 671, 672, &end # # 33 ILE H 33 ILE QD1 3.50 &rst ixpk= 0, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2= 479, 480, 481, &end # # 25 GLY HA3 56 ILE QG2 5.22 &rst ixpk= 0, nxpk= 0, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, igr2= 843, 844, 845, &end # # 25 GLY HA3 26 PRO HD2 3.71 &rst ixpk= 0, nxpk= 0, iat= 363, 368, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end # # 25 GLY HA3 77 TYR H 5.14 &rst ixpk= 0, nxpk= 0, iat= 363,1170, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end # # 90 MET QE 91 ASN H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1368, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1362,1363,1364, &end # # 40 PHE QE 90 MET QE 3.56 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1= 599, 603, igr2=1362,1363,1364, &end # # 49 PHE QE 90 MET QE 4.07 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, igr1= 739, 743, igr2=1362,1363,1364, &end # # 90 MET HA 90 MET QE 3.52 &rst ixpk= 0, nxpk= 0, iat=1353, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, igr2=1362,1363,1364, &end # # 90 MET QE 93 PHE HB3 3.27 &rst ixpk= 0, nxpk= 0, iat= -1,1394, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1362,1363,1364, &end # # 106 ARG H 106 ARG QD 5.19 &rst ixpk= 0, nxpk= 0, iat=1630, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, igr2=1640,1641, &end # # 90 MET QE 93 PHE HB2 3.26 &rst ixpk= 0, nxpk= 0, iat= -1,1393, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, igr1=1362,1363,1364, &end # # 40 PHE HB2 41 GLY HA2 4.86 &rst ixpk= 0, nxpk= 0, iat= 593, 611, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end # # 41 GLY HA2 44 ASP H 5.13 &rst ixpk= 0, nxpk= 0, iat= 611, 645, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end # # 41 GLY HA2 42 ASP HA 4.42 &rst ixpk= 0, nxpk= 0, iat= 611, 618, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end # # 41 GLY HA3 42 ASP HA 4.93 &rst ixpk= 0, nxpk= 0, iat= 612, 618, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end # # 41 GLY HA3 60 VAL HB 5.27 &rst ixpk= 0, nxpk= 0, iat= 612, 903, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end # # 41 GLY HA2 60 VAL QG2 4.56 &rst ixpk= 0, nxpk= 0, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, igr2= 909, 910, 911, &end # # 41 GLY HA2 60 VAL QG1 4.56 &rst ixpk= 0, nxpk= 0, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, igr2= 905, 906, 907, &end # # 40 PHE HB3 41 GLY HA2 5.11 &rst ixpk= 0, nxpk= 0, iat= 594, 611, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end # # 41 GLY HA2 44 ASP HB2 4.94 &rst ixpk= 0, nxpk= 0, iat= 611, 649, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end # # 17 ARG QD 18 GLY H 5.34 &rst ixpk= 0, nxpk= 0, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1= 240, 241, &end # # 17 ARG QD 19 SER H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 261, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 240, 241, &end # # 15 VAL QQG 17 ARG QD 4.96 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr1= 206, 207, 208, 210, 211, 212, igr2= 240, 241, &end # # 106 ARG HA 106 ARG QD 4.51 &rst ixpk= 0, nxpk= 0, iat=1632, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr2=1640,1641, &end # # 41 GLY HA3 45 ILE QG2 5.33 &rst ixpk= 0, nxpk= 0, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, igr2= 663, 664, 665, &end # # 41 GLY HA2 60 VAL HB 4.73 &rst ixpk= 0, nxpk= 0, iat= 611, 903, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end # # 31 LEU HA 32 PHE QB 4.75 &rst ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, igr2= 450, 451, &end # # 32 PHE QB 105 LYS HA 4.89 &rst ixpk= 0, nxpk= 0, iat= -1,1610, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, igr1= 450, 451, &end # # 93 PHE HB3 100 LEU HB2 4.83 &rst ixpk= 0, nxpk= 0, iat=1394,1519, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end # # 32 PHE QB 33 ILE QG2 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 450, 451, igr2= 472, 473, 474, &end # # 32 PHE QB 33 ILE HG13 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 477, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 450, 451, &end # # 32 PHE QB 104 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= 450, 451, igr2=1598,1599,1600,1602,1603,1604, &end # # 32 PHE QB 74 PHE HA 5.37 &rst ixpk= 0, nxpk= 0, iat= -1,1125, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr1= 450, 451, &end # # 32 PHE QB 104 LEU H 5.16 &rst ixpk= 0, nxpk= 0, iat= -1,1589, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, igr1= 450, 451, &end # # 29 ALA QB 77 TYR HB2 4.66 &rst ixpk= 0, nxpk= 0, iat= -1,1174, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, igr1= 407, 408, 409, &end # # 77 TYR HB2 78 ASP H 3.81 &rst ixpk= 0, nxpk= 0, iat=1174,1191, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end # # 95 ILE QD1 100 LEU H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1515, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1439,1440,1441, &end # # 95 ILE H 95 ILE QD1 4.96 &rst ixpk= 0, nxpk= 0, iat=1426, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, igr2=1439,1440,1441, &end # # 40 PHE QE 95 ILE QD1 3.06 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, igr1= 599, 603, igr2=1439,1440,1441, &end # # 93 PHE QD 95 ILE QD1 3.87 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr1=1397,1405, igr2=1439,1440,1441, &end # # 95 ILE HA 95 ILE QD1 3.88 &rst ixpk= 0, nxpk= 0, iat=1428, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr2=1439,1440,1441, &end # # 95 ILE HB 95 ILE QD1 2.87 &rst ixpk= 0, nxpk= 0, iat=1430, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, igr2=1439,1440,1441, &end # # 37 PRO QB 95 ILE QD1 3.68 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, igr1= 550, 551, igr2=1439,1440,1441, &end # # 95 ILE QD1 96 GLY H 4.66 &rst ixpk= 0, nxpk= 0, iat= -1,1445, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, igr1=1439,1440,1441, &end # # 66 THR HB 67 ASN H 4.86 &rst ixpk= 0, nxpk= 0, iat=1009,1019, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end # # 66 THR HB 68 LEU HG 3.57 &rst ixpk= 0, nxpk= 0, iat=1009,1040, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end # # 66 THR HB 68 LEU H 4.48 &rst ixpk= 0, nxpk= 0, iat=1009,1033, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end # # 36 LEU HA 95 ILE QD1 4.36 &rst ixpk= 0, nxpk= 0, iat= 526, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, igr2=1439,1440,1441, &end # # 37 PRO HD3 95 ILE QD1 3.52 &rst ixpk= 0, nxpk= 0, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, igr2=1439,1440,1441, &end # # 37 PRO HD2 95 ILE QD1 3.69 &rst ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, igr2=1439,1440,1441, &end # # 39 GLU QG 95 ILE QD1 4.20 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, igr1= 581, 582, igr2=1439,1440,1441, &end # # 62 ILE QG2 63 ASP HB3 4.84 &rst ixpk= 0, nxpk= 0, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, igr1= 941, 942, 943, &end # # 104 LEU HB2 105 LYS H 4.50 &rst ixpk= 0, nxpk= 0, iat=1593,1608, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 62 ILE HA 63 ASP HB3 5.18 &rst ixpk= 0, nxpk= 0, iat= 937, 959, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end # # 34 TYR HA 72 PHE HB3 4.45 &rst ixpk= 0, nxpk= 0, iat= 487,1101, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end # # 62 ILE HA 63 ASP HB2 5.18 &rst ixpk= 0, nxpk= 0, iat= 937, 958, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end # # 104 LEU HB3 105 LYS H 4.50 &rst ixpk= 0, nxpk= 0, iat=1594,1608, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 104 LEU H 104 LEU HB3 3.55 &rst ixpk= 0, nxpk= 0, iat=1589,1594, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end # # 72 PHE HB2 73 GLY H 4.39 &rst ixpk= 0, nxpk= 0, iat=1100,1116, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end # # 104 LEU HB3 104 LEU QQD 3.24 &rst ixpk= 0, nxpk= 0, iat=1594, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, igr2=1598,1599,1600,1602,1603,1604, &end # # 13 GLY QA 14 LEU HB2 5.14 &rst ixpk= 0, nxpk= 0, iat= -1, 185, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, igr1= 176, 177, &end # # 108 LYS QG 108 LYS QE 2.95 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, igr1=1672,1673, igr2=1678,1679, &end # # 31 LEU HA 87 ILE QD1 4.74 &rst ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, igr2=1318,1319,1320, &end # # 70 LYS QE 72 PHE QE 4.51 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr1=1076,1077, igr2=1106,1110, &end # # 63 ASP HA 70 LYS QE 3.67 &rst ixpk= 0, nxpk= 0, iat= 956, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, igr2=1076,1077, &end # # 70 LYS QG 70 LYS QE 3.17 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, igr1=1070,1071, igr2=1076,1077, &end # # 64 LYS QB 64 LYS QE 3.81 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1= 970, 971, igr2= 979, 980, &end # # 64 LYS QG 64 LYS QE 3.07 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, igr1= 973, 974, igr2= 979, 980, &end # # 62 ILE QG2 64 LYS QE 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 941, 942, 943, igr2= 979, 980, &end # # 107 SER HA 108 LYS QE 5.25 &rst ixpk= 0, nxpk= 0, iat=1656, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, igr2=1678,1679, &end # # 108 LYS HB3 108 LYS QE 4.80 &rst ixpk= 0, nxpk= 0, iat=1670, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr2=1678,1679, &end # # 105 LYS HA 105 LYS QE 4.78 &rst ixpk= 0, nxpk= 0, iat=1610, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr2=1621,1622, &end # # 105 LYS QG 105 LYS QE 2.76 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, igr1=1615,1616, igr2=1621,1622, &end # # 87 ILE QD1 104 LEU H 3.35 &rst ixpk= 0, nxpk= 0, iat= -1,1589, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, igr1=1318,1319,1320, &end # # 87 ILE H 87 ILE QD1 3.97 &rst ixpk= 0, nxpk= 0, iat=1305, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr2=1318,1319,1320, &end # # 84 GLN H 87 ILE QD1 4.92 &rst ixpk= 0, nxpk= 0, iat=1268, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, igr2=1318,1319,1320, &end # # 87 ILE QD1 103 GLN HA 3.49 &rst ixpk= 0, nxpk= 0, iat= -1,1574, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, igr1=1318,1319,1320, &end # # 87 ILE QD1 104 LEU HA 4.00 &rst ixpk= 0, nxpk= 0, iat= -1,1591, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1=1318,1319,1320, &end # # 84 GLN HA 87 ILE QD1 3.24 &rst ixpk= 0, nxpk= 0, iat=1270, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, igr2=1318,1319,1320, &end # # 87 ILE HA 87 ILE QD1 3.95 &rst ixpk= 0, nxpk= 0, iat=1307, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, igr2=1318,1319,1320, &end # # 84 GLN QG 87 ILE QD1 5.17 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, igr1=1275,1276, igr2=1318,1319,1320, &end # # 87 ILE QD1 103 GLN HG3 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1580, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1318,1319,1320, &end # # 87 ILE QG2 87 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=1311,1312,1313, igr2=1318,1319,1320, &end # # 45 ILE QD1 74 PHE H 3.52 &rst ixpk= 0, nxpk= 0, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, igr1= 670, 671, 672, &end # # 45 ILE QD1 46 LEU H 5.19 &rst ixpk= 0, nxpk= 0, iat= -1, 676, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73, igr1= 670, 671, 672, &end # # 45 ILE QD1 49 PHE QD 5.46 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86, igr1= 670, 671, 672, igr2= 737, 745, &end # # 45 ILE H 45 ILE QD1 4.50 &rst ixpk= 0, nxpk= 0, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 670, 671, 672, &end # # 33 ILE HA 45 ILE QD1 5.29 &rst ixpk= 0, nxpk= 0, iat= 468, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85, igr2= 670, 671, 672, &end # # 45 ILE QD1 58 ALA HA 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 869, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 670, 671, 672, &end # # 45 ILE QD1 59 LYS HA 5.18 &rst ixpk= 0, nxpk= 0, iat= -1, 879, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72, igr1= 670, 671, 672, &end # # 45 ILE HA 45 ILE QD1 3.88 &rst ixpk= 0, nxpk= 0, iat= 659, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr2= 670, 671, 672, &end # # 45 ILE QD1 60 VAL HA 3.89 &rst ixpk= 0, nxpk= 0, iat= -1, 901, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, igr1= 670, 671, 672, &end # # 45 ILE QD1 73 GLY HA3 3.72 &rst ixpk= 0, nxpk= 0, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr1= 670, 671, 672, &end # # 45 ILE HB 45 ILE QD1 3.20 &rst ixpk= 0, nxpk= 0, iat= 661, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, igr2= 670, 671, 672, &end # # 40 PHE QE 45 ILE QD1 5.45 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85, igr1= 599, 603, igr2= 670, 671, 672, &end # # 40 PHE QD 45 ILE QD1 4.25 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, igr1= 597, 605, igr2= 670, 671, 672, &end # # 63 ASP H 70 LYS QE 4.57 &rst ixpk= 0, nxpk= 0, iat= 954, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr2=1076,1077, &end # # 32 PHE QE 105 LYS QE 4.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 456, 460, igr2=1621,1622, &end # # 46 LEU HB3 50 MET QE 5.50 &rst ixpk= 0, nxpk= 0, iat= 681, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 760, 761, 762, &end # # 29 ALA QB 79 ASN HB3 5.01 &rst ixpk= 0, nxpk= 0, iat= -1,1208, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, igr1= 407, 408, 409, &end # # 79 ASN HB2 80 PRO HD3 3.99 &rst ixpk= 0, nxpk= 0, iat=1207,1219, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end # # 46 LEU HB2 50 MET QE 5.37 &rst ixpk= 0, nxpk= 0, iat= 680, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95, igr2= 760, 761, 762, &end # # 79 ASN H 79 ASN HB3 3.72 &rst ixpk= 0, nxpk= 0, iat=1203,1208, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end # # 79 ASN HB3 80 PRO HD2 3.75 &rst ixpk= 0, nxpk= 0, iat=1208,1218, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end # # 79 ASN HB3 82 SER H 5.16 &rst ixpk= 0, nxpk= 0, iat=1208,1247, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end # # 79 ASN H 79 ASN HB2 3.90 &rst ixpk= 0, nxpk= 0, iat=1203,1207, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end # # 79 ASN HB3 80 PRO HD3 4.09 &rst ixpk= 0, nxpk= 0, iat=1208,1219, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end # # 33 ILE HB 73 GLY HA3 4.96 &rst ixpk= 0, nxpk= 0, iat= 470,1119, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end # # 93 PHE HB3 100 LEU HG 4.37 &rst ixpk= 0, nxpk= 0, iat=1394,1522, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end # # 24 GLU HB2 56 ILE QD1 5.50 &rst ixpk= 0, nxpk= 0, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 850, 851, 852, &end # # 91 ASN HA 93 PHE HB2 5.38 &rst ixpk= 0, nxpk= 0, iat=1370,1393, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end # # 93 PHE HB2 100 LEU HG 5.50 &rst ixpk= 0, nxpk= 0, iat=1393,1522, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 33 ILE HB 45 ILE QD1 4.37 &rst ixpk= 0, nxpk= 0, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, igr2= 670, 671, 672, &end # # 33 ILE HB 73 GLY H 4.19 &rst ixpk= 0, nxpk= 0, iat= 470,1116, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end # # 33 ILE H 33 ILE HB 3.70 &rst ixpk= 0, nxpk= 0, iat= 466, 470, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 25 GLY H 56 ILE QD1 4.14 &rst ixpk= 0, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr2= 850, 851, 852, &end # # 56 ILE H 56 ILE QD1 4.05 &rst ixpk= 0, nxpk= 0, iat= 837, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, igr2= 850, 851, 852, &end # # 56 ILE QD1 57 SER H 5.02 &rst ixpk= 0, nxpk= 0, iat= -1, 856, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr1= 850, 851, 852, &end # # 56 ILE QD1 78 ASP HA 3.09 &rst ixpk= 0, nxpk= 0, iat= -1,1193, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, igr1= 850, 851, 852, &end # # 25 GLY HA2 56 ILE QD1 3.32 &rst ixpk= 0, nxpk= 0, iat= 362, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, igr2= 850, 851, 852, &end # # 25 GLY HA3 56 ILE QD1 3.63 &rst ixpk= 0, nxpk= 0, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, igr2= 850, 851, 852, &end # # 56 ILE QD1 78 ASP HB3 3.85 &rst ixpk= 0, nxpk= 0, iat= -1,1196, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, igr1= 850, 851, 852, &end # # 56 ILE QD1 78 ASP HB2 3.85 &rst ixpk= 0, nxpk= 0, iat= -1,1195, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, igr1= 850, 851, 852, &end # # 56 ILE HB 56 ILE QD1 3.06 &rst ixpk= 0, nxpk= 0, iat= 841, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, igr2= 850, 851, 852, &end # # 93 PHE HB3 100 LEU QD1 4.66 &rst ixpk= 0, nxpk= 0, iat=1394, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, igr2=1524,1525,1526, &end # # 93 PHE HB3 100 LEU HB3 4.83 &rst ixpk= 0, nxpk= 0, iat=1394,1520, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end # # 56 ILE QD1 77 TYR HA 4.47 &rst ixpk= 0, nxpk= 0, iat= -1,1172, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr1= 850, 851, 852, &end # # 56 ILE HG12 78 ASP HB3 4.83 &rst ixpk= 0, nxpk= 0, iat= 847,1196, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end # # 56 ILE HG12 78 ASP HB2 4.83 &rst ixpk= 0, nxpk= 0, iat= 847,1195, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end # # 40 PHE QD 44 ASP HB2 5.12 &rst ixpk= 0, nxpk= 0, iat= -1, 649, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, igr1= 597, 605, &end # # 40 PHE QE 44 ASP HB3 5.16 &rst ixpk= 0, nxpk= 0, iat= -1, 650, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, igr1= 599, 603, &end # # 42 ASP HB3 43 GLN H 4.09 &rst ixpk= 0, nxpk= 0, iat= 621, 628, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end # # 42 ASP HB3 45 ILE QG2 5.01 &rst ixpk= 0, nxpk= 0, iat= 621, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, igr2= 663, 664, 665, &end # # 42 ASP HB2 45 ILE QG2 5.01 &rst ixpk= 0, nxpk= 0, iat= 620, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, igr2= 663, 664, 665, &end # # 44 ASP H 44 ASP HB2 3.96 &rst ixpk= 0, nxpk= 0, iat= 645, 649, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end # # 40 PHE HB3 44 ASP HB3 4.94 &rst ixpk= 0, nxpk= 0, iat= 594, 650, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end # # 40 PHE QD 44 ASP HB3 5.30 &rst ixpk= 0, nxpk= 0, iat= -1, 650, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, igr1= 597, 605, &end # # 62 ILE HB 63 ASP H 4.27 &rst ixpk= 0, nxpk= 0, iat= 939, 954, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end # # 37 PRO HD3 95 ILE HB 4.93 &rst ixpk= 0, nxpk= 0, iat= 545,1430, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end # # 95 ILE HB 96 GLY H 4.52 &rst ixpk= 0, nxpk= 0, iat=1430,1445, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end # # 93 PHE QE 95 ILE HB 4.15 &rst ixpk= 0, nxpk= 0, iat= -1,1430, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr1=1399,1403, &end # # 62 ILE QD1 70 LYS H 4.01 &rst ixpk= 0, nxpk= 0, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, igr1= 948, 949, 950, &end # # 62 ILE QD1 70 LYS QE 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 948, 949, 950, igr2=1076,1077, &end # # 62 ILE QD1 63 ASP H 3.93 &rst ixpk= 0, nxpk= 0, iat= -1, 954, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 948, 949, 950, &end # # 62 ILE H 62 ILE QD1 4.06 &rst ixpk= 0, nxpk= 0, iat= 935, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, igr2= 948, 949, 950, &end # # 62 ILE HA 62 ILE QD1 3.33 &rst ixpk= 0, nxpk= 0, iat= 937, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr2= 948, 949, 950, &end # # 62 ILE QD1 69 SER HA 3.54 &rst ixpk= 0, nxpk= 0, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, igr1= 948, 949, 950, &end # # 62 ILE HB 62 ILE QD1 3.30 &rst ixpk= 0, nxpk= 0, iat= 939, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr2= 948, 949, 950, &end # # 60 VAL H 62 ILE QD1 5.44 &rst ixpk= 0, nxpk= 0, iat= 899, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr2= 948, 949, 950, &end # # 60 VAL HB 62 ILE QD1 4.83 &rst ixpk= 0, nxpk= 0, iat= 903, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr2= 948, 949, 950, &end # # 37 PRO HD2 40 PHE HB2 4.64 &rst ixpk= 0, nxpk= 0, iat= 544, 593, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end # # 39 GLU QG 40 PHE HB2 5.28 &rst ixpk= 0, nxpk= 0, iat= -1, 593, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, igr1= 581, 582, &end # # 40 PHE HB3 44 ASP HB2 4.59 &rst ixpk= 0, nxpk= 0, iat= 594, 649, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end # # 37 PRO QB 40 PHE HB2 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 593, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 550, 551, &end # # 61 PHE H 61 PHE HB3 4.07 &rst ixpk= 0, nxpk= 0, iat= 915, 920, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end # # 61 PHE H 61 PHE HB2 4.07 &rst ixpk= 0, nxpk= 0, iat= 915, 919, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end # # 109 ASN HB3 110 ASP H 4.52 &rst ixpk= 0, nxpk= 0, iat=1692,1701, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end # # 87 ILE HB 90 MET H 5.50 &rst ixpk= 0, nxpk= 0, iat=1309,1351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 56 ILE QD1 76 SER HB3 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1164, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 850, 851, 852, &end # # 24 GLU HA 76 SER HB3 4.62 &rst ixpk= 0, nxpk= 0, iat= 347,1164, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end # # 56 ILE QD1 76 SER HB2 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1163, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 850, 851, 852, &end # # 49 PHE HB3 50 MET H 5.09 &rst ixpk= 0, nxpk= 0, iat= 734, 749, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end # # 51 PRO HG2 52 PHE HB2 4.93 &rst ixpk= 0, nxpk= 0, iat= 770, 784, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end # # 87 ILE HB 88 GLN QB 4.85 &rst ixpk= 0, nxpk= 0, iat=1309, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, igr2=1328,1329, &end # # 87 ILE HB 91 ASN HD21 5.50 &rst ixpk= 0, nxpk= 0, iat=1309,1378, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 87 ILE HB 87 ILE QD1 3.32 &rst ixpk= 0, nxpk= 0, iat=1309, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, igr2=1318,1319,1320, &end # # 84 GLN HA 87 ILE HB 3.76 &rst ixpk= 0, nxpk= 0, iat=1270,1309, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end # # 49 PHE HB3 52 PHE HB3 5.19 &rst ixpk= 0, nxpk= 0, iat= 734, 785, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end # # 49 PHE HA 52 PHE HB3 5.26 &rst ixpk= 0, nxpk= 0, iat= 731, 785, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end # # 87 ILE HA 91 ASN HB2 4.39 &rst ixpk= 0, nxpk= 0, iat=1307,1372, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end # # 87 ILE HA 87 ILE HG13 3.78 &rst ixpk= 0, nxpk= 0, iat=1307,1316, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end # # 87 ILE HA 102 VAL QG1 3.03 &rst ixpk= 0, nxpk= 0, iat=1307, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, igr2=1562,1563,1564, &end # # 31 LEU QD2 87 ILE HA 4.80 &rst ixpk= 0, nxpk= 0, iat= -1,1307, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, igr1= 440, 441, 442, &end # # 87 ILE HA 87 ILE HG12 3.63 &rst ixpk= 0, nxpk= 0, iat=1307,1315, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end # # 87 ILE HA 88 GLN HA 5.02 &rst ixpk= 0, nxpk= 0, iat=1307,1326, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end # # 87 ILE HA 91 ASN HB3 4.69 &rst ixpk= 0, nxpk= 0, iat=1307,1373, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end # # 62 ILE QG2 67 ASN HB3 4.82 &rst ixpk= 0, nxpk= 0, iat= -1,1024, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, igr1= 941, 942, 943, &end # # 62 ILE QG2 67 ASN HB2 4.52 &rst ixpk= 0, nxpk= 0, iat= -1,1023, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr1= 941, 942, 943, &end # # 56 ILE H 56 ILE HB 3.71 &rst ixpk= 0, nxpk= 0, iat= 837, 841, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end # # 56 ILE HB 57 SER HB2 5.48 &rst ixpk= 0, nxpk= 0, iat= 841, 860, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end # # 45 ILE HB 46 LEU H 4.10 &rst ixpk= 0, nxpk= 0, iat= 661, 676, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 45 ILE HB 75 VAL QG2 4.50 &rst ixpk= 0, nxpk= 0, iat= 661, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1153,1154,1155, &end # # 51 PRO HA 53 GLY HA2 5.38 &rst ixpk= 0, nxpk= 0, iat= 776, 802, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end # # 54 ASN QB 55 VAL H 4.01 &rst ixpk= 0, nxpk= 0, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr1= 811, 812, &end # # 57 SER HB2 76 SER H 5.50 &rst ixpk= 0, nxpk= 0, iat= 860,1159, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 56 ILE HA 57 SER HB2 5.50 &rst ixpk= 0, nxpk= 0, iat= 839, 860, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 23 LYS H 57 SER HB2 4.59 &rst ixpk= 0, nxpk= 0, iat= 323, 860, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end # # 57 SER H 57 SER HB2 3.94 &rst ixpk= 0, nxpk= 0, iat= 856, 860, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end # # 57 SER HB2 58 ALA H 3.94 &rst ixpk= 0, nxpk= 0, iat= 860, 867, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end # # 57 SER HB2 74 PHE QE 5.50 &rst ixpk= 0, nxpk= 0, iat= 860, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1133,1137, &end # # 22 GLN HA 57 SER HB2 5.50 &rst ixpk= 0, nxpk= 0, iat= 308, 860, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 23 LYS HA 57 SER HB2 5.50 &rst ixpk= 0, nxpk= 0, iat= 325, 860, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 57 SER HB3 76 SER H 4.48 &rst ixpk= 0, nxpk= 0, iat= 861,1159, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end # # 57 SER HB3 58 ALA H 4.58 &rst ixpk= 0, nxpk= 0, iat= 861, 867, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end # # 57 SER HB3 74 PHE QE 4.96 &rst ixpk= 0, nxpk= 0, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr2=1133,1137, &end # # 56 ILE QG2 57 SER HB3 4.17 &rst ixpk= 0, nxpk= 0, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, igr1= 843, 844, 845, &end # # 57 SER H 57 SER HB3 3.99 &rst ixpk= 0, nxpk= 0, iat= 856, 861, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end # # 57 SER HB3 58 ALA QB 5.50 &rst ixpk= 0, nxpk= 0, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 871, 872, 873, &end # # 57 SER HB2 58 ALA QB 5.50 &rst ixpk= 0, nxpk= 0, iat= 860, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 871, 872, 873, &end # # 59 LYS QB 74 PHE QD 5.18 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 881, 882, igr2=1131,1139, &end # # 58 ALA HA 59 LYS QB 4.89 &rst ixpk= 0, nxpk= 0, iat= 869, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, igr2= 881, 882, &end # # 79 ASN HB2 80 PRO HA 4.85 &rst ixpk= 0, nxpk= 0, iat=1207,1227, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end # # 80 PRO HA 84 GLN H 5.09 &rst ixpk= 0, nxpk= 0, iat=1227,1268, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end # # 28 GLY HA3 80 PRO HA 5.07 &rst ixpk= 0, nxpk= 0, iat= 399,1227, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end # # 75 VAL HB 76 SER H 4.70 &rst ixpk= 0, nxpk= 0, iat=1147,1159, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 58 ALA HA 75 VAL HB 5.24 &rst ixpk= 0, nxpk= 0, iat= 869,1147, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end # # 29 ALA HA 80 PRO HA 3.28 &rst ixpk= 0, nxpk= 0, iat= 405,1227, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end # # 29 ALA QB 80 PRO HA 3.53 &rst ixpk= 0, nxpk= 0, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1= 407, 408, 409, &end # # 45 ILE HA 48 MET HB3 3.83 &rst ixpk= 0, nxpk= 0, iat= 659, 717, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end # # 24 GLU HA 24 GLU HG2 3.84 &rst ixpk= 0, nxpk= 0, iat= 347, 352, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end # # 24 GLU HG2 25 GLY H 5.36 &rst ixpk= 0, nxpk= 0, iat= 352, 360, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end # # 23 LYS HA 24 GLU HG2 4.80 &rst ixpk= 0, nxpk= 0, iat= 325, 352, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 24 GLU HG3 25 GLY H 5.36 &rst ixpk= 0, nxpk= 0, iat= 353, 360, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end # # 24 GLU H 24 GLU HG3 3.84 &rst ixpk= 0, nxpk= 0, iat= 345, 353, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end # # 24 GLU HA 24 GLU HG3 3.84 &rst ixpk= 0, nxpk= 0, iat= 347, 353, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end # # 23 LYS HA 24 GLU HG3 4.80 &rst ixpk= 0, nxpk= 0, iat= 325, 353, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 31 LEU H 75 VAL HB 4.73 &rst ixpk= 0, nxpk= 0, iat= 427,1147, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end # # 31 LEU HB2 75 VAL HB 4.22 &rst ixpk= 0, nxpk= 0, iat= 431,1147, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end # # 33 ILE HG13 75 VAL HB 5.18 &rst ixpk= 0, nxpk= 0, iat= 477,1147, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end # # 45 ILE QG2 75 VAL HB 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1147, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 663, 664, 665, &end # # 45 ILE QD1 75 VAL HB 4.83 &rst ixpk= 0, nxpk= 0, iat= -1,1147, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr1= 670, 671, 672, &end # # 80 PRO HA 83 ALA HA 5.27 &rst ixpk= 0, nxpk= 0, iat=1227,1260, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end # # 45 ILE HA 75 VAL QG2 4.82 &rst ixpk= 0, nxpk= 0, iat= 659, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, igr2=1153,1154,1155, &end # # 39 GLU HA 39 GLU QG 3.34 &rst ixpk= 0, nxpk= 0, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, igr2= 581, 582, &end # # 39 GLU QB 39 GLU QG 2.54 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, igr1= 578, 579, igr2= 581, 582, &end # # 62 ILE QD1 69 SER HB3 4.71 &rst ixpk= 0, nxpk= 0, iat= -1,1057, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, igr1= 948, 949, 950, &end # # 62 ILE QD1 69 SER HB2 4.71 &rst ixpk= 0, nxpk= 0, iat= -1,1056, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, igr1= 948, 949, 950, &end # # 111 SER QB 112 LYS QB 4.88 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, igr1=1717,1718, igr2=1728,1729, &end # # 15 VAL QQG 16 PRO HA 4.58 &rst ixpk= 0, nxpk= 0, iat= -1, 226, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 206, 207, 208, 210, 211, 212, &end # # 77 TYR HB2 82 SER HB2 5.50 &rst ixpk= 0, nxpk= 0, iat=1174,1251, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 37 PRO HA 40 PHE QD 5.50 &rst ixpk= 0, nxpk= 0, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 597, 605, &end # # 77 TYR HB2 82 SER HB3 5.50 &rst ixpk= 0, nxpk= 0, iat=1174,1252, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 82 SER HB2 83 ALA H 4.49 &rst ixpk= 0, nxpk= 0, iat=1251,1258, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end # # 82 SER H 82 SER HB2 4.00 &rst ixpk= 0, nxpk= 0, iat=1247,1251, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 48 MET HB2 49 PHE QD 3.85 &rst ixpk= 0, nxpk= 0, iat= 716, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, igr2= 737, 745, &end # # 35 HIP HA 98 LYS QB 5.15 &rst ixpk= 0, nxpk= 0, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, igr2=1473,1474, &end # # 35 HIP HB2 98 LYS QB 4.62 &rst ixpk= 0, nxpk= 0, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr2=1473,1474, &end # # 48 MET HB3 49 PHE QE 4.82 &rst ixpk= 0, nxpk= 0, iat= 717, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, igr2= 739, 743, &end # # 48 MET H 48 MET HB2 3.51 &rst ixpk= 0, nxpk= 0, iat= 712, 716, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end # # 45 ILE HA 48 MET HB2 3.83 &rst ixpk= 0, nxpk= 0, iat= 659, 716, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end # # 48 MET HB2 49 PHE H 4.18 &rst ixpk= 0, nxpk= 0, iat= 716, 729, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end # # 48 MET HB2 49 PHE QE 4.82 &rst ixpk= 0, nxpk= 0, iat= 716, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, igr2= 739, 743, &end # # 91 ASN HB3 102 VAL HB 4.09 &rst ixpk= 0, nxpk= 0, iat=1373,1560, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end # # 102 VAL HB 103 GLN H 4.87 &rst ixpk= 0, nxpk= 0, iat=1560,1572, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end # # 26 PRO HA 29 ALA QB 4.86 &rst ixpk= 0, nxpk= 0, iat= 377, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr2= 407, 408, 409, &end # # 55 VAL HA 56 ILE HA 4.45 &rst ixpk= 0, nxpk= 0, iat= 823, 839, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end # # 56 ILE HA 56 ILE HG13 3.87 &rst ixpk= 0, nxpk= 0, iat= 839, 848, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end # # 56 ILE HA 56 ILE HG12 3.43 &rst ixpk= 0, nxpk= 0, iat= 839, 847, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end # # 56 ILE HA 56 ILE QD1 4.50 &rst ixpk= 0, nxpk= 0, iat= 839, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 850, 851, 852, &end # # 65 GLN HG3 66 THR QG2 5.12 &rst ixpk= 0, nxpk= 0, iat= 996, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, igr2=1011,1012,1013, &end # # 65 GLN H 65 GLN HG3 3.99 &rst ixpk= 0, nxpk= 0, iat= 988, 996, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end # # 64 LYS QG 65 GLN HG3 5.16 &rst ixpk= 0, nxpk= 0, iat= -1, 996, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, igr1= 973, 974, &end # # 65 GLN HG2 66 THR QG2 5.12 &rst ixpk= 0, nxpk= 0, iat= 995, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, igr2=1011,1012,1013, &end # # 91 ASN HB2 102 VAL HB 3.92 &rst ixpk= 0, nxpk= 0, iat=1372,1560, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end # # 87 ILE HA 102 VAL HB 4.10 &rst ixpk= 0, nxpk= 0, iat=1307,1560, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 87 ILE QG2 102 VAL HB 3.69 &rst ixpk= 0, nxpk= 0, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, igr1=1311,1312,1313, &end # # 25 GLY HA3 26 PRO HA 4.82 &rst ixpk= 0, nxpk= 0, iat= 363, 377, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end # # 25 GLY HA2 26 PRO HA 4.59 &rst ixpk= 0, nxpk= 0, iat= 362, 377, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end # # 55 VAL HA 56 ILE HB 4.80 &rst ixpk= 0, nxpk= 0, iat= 823, 841, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 55 VAL HA 56 ILE HG13 4.70 &rst ixpk= 0, nxpk= 0, iat= 823, 848, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 55 VAL HA 56 ILE H 3.19 &rst ixpk= 0, nxpk= 0, iat= 823, 837, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end # # 55 VAL HA 57 SER H 4.18 &rst ixpk= 0, nxpk= 0, iat= 823, 856, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end # # 54 ASN HA 55 VAL HA 4.54 &rst ixpk= 0, nxpk= 0, iat= 809, 823, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end # # 64 LYS QG 65 GLN HG2 5.16 &rst ixpk= 0, nxpk= 0, iat= -1, 995, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, igr1= 973, 974, &end # # 60 VAL HA 61 PHE QD 4.79 &rst ixpk= 0, nxpk= 0, iat= 901, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr2= 923, 931, &end # # 60 VAL HA 73 GLY HA3 3.99 &rst ixpk= 0, nxpk= 0, iat= 901,1119, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end # # 38 GLN H 38 GLN HG3 4.70 &rst ixpk= 0, nxpk= 0, iat= 557, 565, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 47 GLN HA 47 GLN QG 3.25 &rst ixpk= 0, nxpk= 0, iat= 697, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, igr2= 702, 703, &end # # 88 GLN HA 88 GLN QG 3.48 &rst ixpk= 0, nxpk= 0, iat=1326, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, igr2=1331,1332, &end # # 47 GLN QG 50 MET QG 4.55 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, igr1= 702, 703, igr2= 756, 757, &end # # 47 GLN QB 47 GLN QG 2.73 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, igr1= 699, 700, igr2= 702, 703, &end # # 47 GLN QG 50 MET QE 3.04 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, igr1= 702, 703, igr2= 760, 761, 762, &end # # 46 LEU HB3 47 GLN QG 4.19 &rst ixpk= 0, nxpk= 0, iat= 681, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, igr2= 702, 703, &end # # 87 ILE HA 88 GLN QG 5.30 &rst ixpk= 0, nxpk= 0, iat=1307, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, igr2=1331,1332, &end # # 87 ILE QD1 103 GLN HG2 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1579, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1318,1319,1320, &end # # 66 THR HA 68 LEU HG 5.10 &rst ixpk= 0, nxpk= 0, iat=1007,1040, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 88 GLN H 88 GLN QG 3.05 &rst ixpk= 0, nxpk= 0, iat=1324, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, igr2=1331,1332, &end # # 87 ILE HB 88 GLN QG 4.49 &rst ixpk= 0, nxpk= 0, iat=1309, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr2=1331,1332, &end # # 88 GLN QG 89 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=1331,1332, igr2=1345,1346,1347, &end # # 87 ILE QD1 88 GLN QG 5.02 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27, igr1=1318,1319,1320, igr2=1331,1332, &end # # 65 GLN H 66 THR HA 5.03 &rst ixpk= 0, nxpk= 0, iat= 988,1007, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end # # 66 THR HA 68 LEU H 4.77 &rst ixpk= 0, nxpk= 0, iat=1007,1033, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end # # 65 GLN HB2 66 THR HA 4.70 &rst ixpk= 0, nxpk= 0, iat= 992,1007, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 66 THR HA 66 THR QG2 2.85 &rst ixpk= 0, nxpk= 0, iat=1007, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, igr2=1011,1012,1013, &end # # 43 GLN HA 43 GLN QG 3.21 &rst ixpk= 0, nxpk= 0, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr2= 635, 636, &end # # 43 GLN H 43 GLN QG 4.14 &rst ixpk= 0, nxpk= 0, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr2= 635, 636, &end # # 43 GLN QG 44 ASP H 4.39 &rst ixpk= 0, nxpk= 0, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, igr1= 635, 636, &end # # 94 GLN QG 99 ARG H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1491, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1416,1417, &end # # 32 PHE QE 105 LYS HB2 4.96 &rst ixpk= 0, nxpk= 0, iat= -1,1612, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr1= 456, 460, &end # # 66 THR HA 67 ASN HB2 4.74 &rst ixpk= 0, nxpk= 0, iat=1007,1023, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end # # 82 SER HA 85 ALA QB 3.38 &rst ixpk= 0, nxpk= 0, iat=1249, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, igr2=1289,1290,1291, &end # # 77 TYR QE 82 SER HA 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1249, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1180,1185, &end # # 52 PHE HB3 82 SER HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 785,1249, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 81 VAL H 84 GLN QG 5.17 &rst ixpk= 0, nxpk= 0, iat=1231, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr2=1275,1276, &end # # 81 VAL HA 84 GLN QG 3.77 &rst ixpk= 0, nxpk= 0, iat=1233, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, igr2=1275,1276, &end # # 84 GLN H 84 GLN QG 2.91 &rst ixpk= 0, nxpk= 0, iat=1268, -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, igr2=1275,1276, &end # # 84 GLN QG 84 GLN HE22 3.45 &rst ixpk= 0, nxpk= 0, iat= -1,1280, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, igr1=1275,1276, &end # # 84 GLN HA 84 GLN QG 3.16 &rst ixpk= 0, nxpk= 0, iat=1270, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, igr2=1275,1276, &end # # 84 GLN QB 84 GLN QG 2.45 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, igr1=1272,1273, igr2=1275,1276, &end # # 83 ALA QB 84 GLN QG 3.62 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, igr1=1262,1263,1264, igr2=1275,1276, &end # # 32 PHE QB 103 GLN QB 4.58 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, igr1= 450, 451, igr2=1576,1577, &end # # 22 GLN H 22 GLN HG2 4.76 &rst ixpk= 0, nxpk= 0, iat= 306, 313, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end # # 94 GLN QG 98 LYS H 4.95 &rst ixpk= 0, nxpk= 0, iat= -1,1469, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1=1416,1417, &end # # 94 GLN QG 95 ILE H 3.41 &rst ixpk= 0, nxpk= 0, iat= -1,1426, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, igr1=1416,1417, &end # # 94 GLN H 94 GLN QG 4.07 &rst ixpk= 0, nxpk= 0, iat=1409, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, igr2=1416,1417, &end # # 94 GLN HA 94 GLN QG 3.61 &rst ixpk= 0, nxpk= 0, iat=1411, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, igr2=1416,1417, &end # # 32 PHE QE 105 LYS HB3 4.96 &rst ixpk= 0, nxpk= 0, iat= -1,1613, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr1= 456, 460, &end # # 79 ASN HD22 82 SER HA 5.09 &rst ixpk= 0, nxpk= 0, iat=1212,1249, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end # # 83 ALA H 84 GLN QG 4.88 &rst ixpk= 0, nxpk= 0, iat=1258, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, igr2=1275,1276, &end # # 94 GLN QG 99 ARG HD2 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1501, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1416,1417, &end # # 94 GLN QG 99 ARG HD3 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1502, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1416,1417, &end # # 60 VAL HB 61 PHE H 5.20 &rst ixpk= 0, nxpk= 0, iat= 903, 915, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 23 LYS HB3 56 ILE QG2 4.06 &rst ixpk= 0, nxpk= 0, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, igr2= 843, 844, 845, &end # # 23 LYS HB2 56 ILE QG2 4.06 &rst ixpk= 0, nxpk= 0, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, igr2= 843, 844, 845, &end # # 102 VAL HA 103 GLN H 3.16 &rst ixpk= 0, nxpk= 0, iat=1558,1572, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end # # 102 VAL HA 102 VAL QG1 3.29 &rst ixpk= 0, nxpk= 0, iat=1558, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, igr2=1562,1563,1564, &end # # 34 TYR H 102 VAL HA 4.55 &rst ixpk= 0, nxpk= 0, iat= 485,1558, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end # # 102 VAL HA 103 GLN QB 4.16 &rst ixpk= 0, nxpk= 0, iat=1558, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, igr2=1576,1577, &end # # 80 PRO HB2 81 VAL H 4.00 &rst ixpk= 0, nxpk= 0, iat=1224,1231, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 28 GLY HA3 80 PRO HB2 5.15 &rst ixpk= 0, nxpk= 0, iat= 399,1224, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end # # 108 LYS HB2 108 LYS QE 4.80 &rst ixpk= 0, nxpk= 0, iat=1669, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr2=1678,1679, &end # # 29 ALA H 80 PRO HB3 5.25 &rst ixpk= 0, nxpk= 0, iat= 403,1225, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end # # 26 PRO HB3 80 PRO HD3 5.12 &rst ixpk= 0, nxpk= 0, iat= 375,1219, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end # # 26 PRO HB2 80 PRO HD3 4.06 &rst ixpk= 0, nxpk= 0, iat= 374,1219, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end # # 57 SER H 75 VAL HA 5.11 &rst ixpk= 0, nxpk= 0, iat= 856,1145, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end # # 45 ILE QD1 75 VAL HA 5.42 &rst ixpk= 0, nxpk= 0, iat= -1,1145, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, igr1= 670, 671, 672, &end # # 97 MET H 97 MET HG3 4.35 &rst ixpk= 0, nxpk= 0, iat=1452,1460, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end # # 64 LYS QB 65 GLN H 3.95 &rst ixpk= 0, nxpk= 0, iat= -1, 988, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, igr1= 970, 971, &end # # 64 LYS QB 64 LYS QD 2.88 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, igr1= 970, 971, igr2= 976, 977, &end # # 63 ASP HA 64 LYS QB 4.65 &rst ixpk= 0, nxpk= 0, iat= 956, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr2= 970, 971, &end # # 37 PRO QB 39 GLU QG 3.07 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, igr1= 550, 551, igr2= 581, 582, &end # # 55 VAL HB 75 VAL QG1 4.36 &rst ixpk= 0, nxpk= 0, iat= 825, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, igr2=1149,1150,1151, &end # # 50 MET QG 55 VAL HB 5.24 &rst ixpk= 0, nxpk= 0, iat= -1, 825, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1= 756, 757, &end # # 37 PRO QB 40 PHE QE 5.05 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 550, 551, igr2= 599, 603, &end # # 94 GLN QG 95 ILE HA 4.76 &rst ixpk= 0, nxpk= 0, iat= -1,1428, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr1=1416,1417, &end # # 95 ILE HA 95 ILE HG12 3.59 &rst ixpk= 0, nxpk= 0, iat=1428,1436, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end # # 95 ILE HA 95 ILE HG13 3.71 &rst ixpk= 0, nxpk= 0, iat=1428,1437, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end # # 95 ILE HA 95 ILE QG2 3.25 &rst ixpk= 0, nxpk= 0, iat=1428, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, igr2=1432,1433,1434, &end # # 46 LEU HB3 50 MET QG 5.50 &rst ixpk= 0, nxpk= 0, iat= 681, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 756, 757, &end # # 50 MET H 50 MET QG 3.89 &rst ixpk= 0, nxpk= 0, iat= 749, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, igr2= 756, 757, &end # # 49 PHE H 50 MET QG 5.50 &rst ixpk= 0, nxpk= 0, iat= 729, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 756, 757, &end # # 50 MET QG 53 GLY H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 800, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 756, 757, &end # # 47 GLN HA 50 MET QG 3.81 &rst ixpk= 0, nxpk= 0, iat= 697, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, igr2= 756, 757, &end # # 50 MET QG 51 PRO HD2 4.74 &rst ixpk= 0, nxpk= 0, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, igr1= 756, 757, &end # # 50 MET HB3 50 MET QG 2.93 &rst ixpk= 0, nxpk= 0, iat= 754, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, igr2= 756, 757, &end # # 46 LEU QD1 50 MET QG 3.56 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1= 685, 686, 687, igr2= 756, 757, &end # # 47 GLN HA 50 MET HB2 3.51 &rst ixpk= 0, nxpk= 0, iat= 697, 753, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end # # 46 LEU QD1 50 MET HB2 5.45 &rst ixpk= 0, nxpk= 0, iat= -1, 753, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05, igr1= 685, 686, 687, &end # # 46 LEU QD2 50 MET HB2 5.45 &rst ixpk= 0, nxpk= 0, iat= -1, 753, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05, igr1= 689, 690, 691, &end # # 48 MET HG3 49 PHE QD 5.10 &rst ixpk= 0, nxpk= 0, iat= 720, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, igr2= 737, 745, &end # # 50 MET H 50 MET HB2 3.77 &rst ixpk= 0, nxpk= 0, iat= 749, 753, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end # # 48 MET H 48 MET HG2 5.17 &rst ixpk= 0, nxpk= 0, iat= 712, 719, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end # # 48 MET H 50 MET HB2 5.48 &rst ixpk= 0, nxpk= 0, iat= 712, 753, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end # # 48 MET HG2 49 PHE QD 5.10 &rst ixpk= 0, nxpk= 0, iat= 719, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, igr2= 737, 745, &end # # 47 GLN HA 50 MET HB3 4.57 &rst ixpk= 0, nxpk= 0, iat= 697, 754, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end # # 50 MET H 50 MET HB3 3.78 &rst ixpk= 0, nxpk= 0, iat= 749, 754, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end # # 48 MET H 48 MET HG3 5.17 &rst ixpk= 0, nxpk= 0, iat= 712, 720, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end # # 21 MET H 21 MET HG2 4.60 &rst ixpk= 0, nxpk= 0, iat= 289, 296, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 50 MET HB3 51 PRO HD2 4.47 &rst ixpk= 0, nxpk= 0, iat= 754, 767, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end # # 99 ARG HB2 100 LEU H 4.63 &rst ixpk= 0, nxpk= 0, iat=1495,1515, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end # # 15 VAL HA 15 VAL QQG 2.88 &rst ixpk= 0, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, igr2= 206, 207, 208, 210, 211, 212, &end # # 24 GLU HB3 25 GLY HA3 5.50 &rst ixpk= 0, nxpk= 0, iat= 350, 363, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 23 LYS HA 24 GLU HB3 5.50 &rst ixpk= 0, nxpk= 0, iat= 325, 350, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 24 GLU HB2 25 GLY H 4.14 &rst ixpk= 0, nxpk= 0, iat= 349, 360, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end # # 99 ARG HB3 100 LEU H 4.63 &rst ixpk= 0, nxpk= 0, iat=1496,1515, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end # # 50 MET HA 55 VAL H 4.27 &rst ixpk= 0, nxpk= 0, iat= 751, 821, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end # # 50 MET HA 77 TYR QE 5.05 &rst ixpk= 0, nxpk= 0, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr2=1180,1185, &end # # 14 LEU HG 15 VAL HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 188, 202, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 50 MET HA 53 GLY H 4.27 &rst ixpk= 0, nxpk= 0, iat= 751, 800, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end # # 50 MET HA 50 MET QG 3.34 &rst ixpk= 0, nxpk= 0, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, igr2= 756, 757, &end # # 93 PHE HA 93 PHE QE 5.25 &rst ixpk= 0, nxpk= 0, iat=1391, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, igr2=1399,1403, &end # # 93 PHE HA 94 GLN HB3 5.01 &rst ixpk= 0, nxpk= 0, iat=1391,1414, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end # # 81 VAL HB 83 ALA H 5.50 &rst ixpk= 0, nxpk= 0, iat=1235,1258, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 93 PHE HA 94 GLN HB2 5.01 &rst ixpk= 0, nxpk= 0, iat=1391,1413, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end # # 80 PRO HD2 81 VAL HB 4.92 &rst ixpk= 0, nxpk= 0, iat=1218,1235, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end # # 33 ILE HA 33 ILE HG13 3.93 &rst ixpk= 0, nxpk= 0, iat= 468, 477, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end # # 33 ILE HA 103 GLN H 4.80 &rst ixpk= 0, nxpk= 0, iat= 468,1572, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 46 LEU HA 50 MET QG 5.04 &rst ixpk= 0, nxpk= 0, iat= 678, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, igr2= 756, 757, &end # # 33 ILE HA 34 TYR QD 5.08 &rst ixpk= 0, nxpk= 0, iat= 468, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr2= 493, 502, &end # # 38 GLN HA 39 GLU HA 5.20 &rst ixpk= 0, nxpk= 0, iat= 559, 576, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 46 LEU HA 46 LEU HG 3.81 &rst ixpk= 0, nxpk= 0, iat= 678, 683, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end # # 51 PRO HB3 52 PHE H 4.53 &rst ixpk= 0, nxpk= 0, iat= 774, 780, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end # # 46 LEU HG 47 GLN HA 5.32 &rst ixpk= 0, nxpk= 0, iat= 683, 697, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end # # 17 ARG HB3 17 ARG QD 3.79 &rst ixpk= 0, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, igr2= 240, 241, &end # # 17 ARG HB2 17 ARG QD 3.79 &rst ixpk= 0, nxpk= 0, iat= 234, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, igr2= 240, 241, &end # # 61 PHE HA 62 ILE HG12 4.72 &rst ixpk= 0, nxpk= 0, iat= 917, 945, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end # # 111 SER HA 112 LYS QG 5.21 &rst ixpk= 0, nxpk= 0, iat=1715, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, igr2=1731,1732, &end # # 47 GLN HA 50 MET QE 2.73 &rst ixpk= 0, nxpk= 0, iat= 697, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, igr2= 760, 761, 762, &end # # 87 ILE QG2 88 GLN HA 3.47 &rst ixpk= 0, nxpk= 0, iat= -1,1326, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, igr1=1311,1312,1313, &end # # 84 GLN HA 84 GLN HE21 4.96 &rst ixpk= 0, nxpk= 0, iat=1270,1281, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end # # 84 GLN HA 87 ILE HA 5.41 &rst ixpk= 0, nxpk= 0, iat=1270,1307, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end # # 18 GLY QA 19 SER HA 4.18 &rst ixpk= 0, nxpk= 0, iat= -1, 263, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, igr1= 256, 257, &end # # 84 GLN HA 87 ILE QG2 4.31 &rst ixpk= 0, nxpk= 0, iat=1270, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, igr2=1311,1312,1313, &end # # 84 GLN HA 87 ILE HG13 3.48 &rst ixpk= 0, nxpk= 0, iat=1270,1316, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end # # 43 GLN HA 46 LEU HB3 3.59 &rst ixpk= 0, nxpk= 0, iat= 630, 681, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end # # 43 GLN HA 46 LEU HB2 3.74 &rst ixpk= 0, nxpk= 0, iat= 630, 680, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end # # 114 TRP HA 114 TRP HD1 4.35 &rst ixpk= 0, nxpk= 0, iat=1762,1768, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end # # 113 PRO HD2 114 TRP HA 5.38 &rst ixpk= 0, nxpk= 0, iat=1747,1762, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end # # 51 PRO HD2 52 PHE HA 5.43 &rst ixpk= 0, nxpk= 0, iat= 767, 782, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end # # 64 LYS HA 64 LYS QG 3.49 &rst ixpk= 0, nxpk= 0, iat= 968, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, igr2= 973, 974, &end # # 64 LYS HA 64 LYS QB 2.83 &rst ixpk= 0, nxpk= 0, iat= 968, -1, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, igr2= 970, 971, &end # # 27 GLU HA 28 GLY HA3 4.39 &rst ixpk= 0, nxpk= 0, iat= 383, 399, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end # # 27 GLU HA 28 GLY H 2.75 &rst ixpk= 0, nxpk= 0, iat= 383, 396, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25, &end # # 27 GLU HA 28 GLY HA2 4.50 &rst ixpk= 0, nxpk= 0, iat= 383, 398, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 26 PRO HA 27 GLU HA 4.54 &rst ixpk= 0, nxpk= 0, iat= 377, 383, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end # # 43 GLN HA 58 ALA QB 5.50 &rst ixpk= 0, nxpk= 0, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 871, 872, 873, &end # # 48 MET HA 90 MET QE 5.50 &rst ixpk= 0, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1362,1363,1364, &end # # 87 ILE QG2 87 ILE HG13 3.55 &rst ixpk= 0, nxpk= 0, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, igr1=1311,1312,1313, &end # # 87 ILE HG13 102 VAL QG1 4.04 &rst ixpk= 0, nxpk= 0, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr2=1562,1563,1564, &end # # 31 LEU QD2 87 ILE HG13 3.58 &rst ixpk= 0, nxpk= 0, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, igr1= 440, 441, 442, &end # # 84 GLN H 87 ILE HG13 5.50 &rst ixpk= 0, nxpk= 0, iat=1268,1316, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 87 ILE HG13 88 GLN H 5.50 &rst ixpk= 0, nxpk= 0, iat=1316,1324, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 84 GLN HA 87 ILE HG12 5.10 &rst ixpk= 0, nxpk= 0, iat=1270,1315, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 51 PRO HG2 52 PHE HA 4.76 &rst ixpk= 0, nxpk= 0, iat= 770, 782, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end # # 52 PHE HA 85 ALA QB 5.21 &rst ixpk= 0, nxpk= 0, iat= 782, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76, igr2=1289,1290,1291, &end # # 64 LYS HA 66 THR H 4.67 &rst ixpk= 0, nxpk= 0, iat= 968,1005, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end # # 62 ILE QG2 64 LYS HA 4.19 &rst ixpk= 0, nxpk= 0, iat= -1, 968, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr1= 941, 942, 943, &end # # 68 LEU HA 69 SER HA 4.34 &rst ixpk= 0, nxpk= 0, iat=1035,1054, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end # # 52 PHE HA 86 ALA H 5.50 &rst ixpk= 0, nxpk= 0, iat= 782,1295, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 52 PHE HA 86 ALA QB 4.63 &rst ixpk= 0, nxpk= 0, iat= 782, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr2=1299,1300,1301, &end # # 42 ASP HA 45 ILE H 4.60 &rst ixpk= 0, nxpk= 0, iat= 618, 657, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 64 LYS QG 65 GLN HA 5.07 &rst ixpk= 0, nxpk= 0, iat= -1, 990, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, igr1= 973, 974, &end # # 65 GLN HA 67 ASN H 5.02 &rst ixpk= 0, nxpk= 0, iat= 990,1019, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end # # 64 LYS QB 65 GLN HA 4.80 &rst ixpk= 0, nxpk= 0, iat= -1, 990, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr1= 970, 971, &end # # 65 GLN HA 66 THR QG2 4.89 &rst ixpk= 0, nxpk= 0, iat= 990, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, igr2=1011,1012,1013, &end # # 42 ASP HA 44 ASP H 5.31 &rst ixpk= 0, nxpk= 0, iat= 618, 645, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end # # 39 GLU QG 40 PHE HA 4.87 &rst ixpk= 0, nxpk= 0, iat= -1, 591, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, igr1= 581, 582, &end # # 105 LYS HA 105 LYS QD 4.40 &rst ixpk= 0, nxpk= 0, iat=1610, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, igr2=1618,1619, &end # # 105 LYS H 105 LYS QD 4.73 &rst ixpk= 0, nxpk= 0, iat=1608, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, igr2=1618,1619, &end # # 32 PHE QE 105 LYS QD 4.65 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, igr1= 456, 460, igr2=1618,1619, &end # # 74 PHE QE 105 LYS QD 5.27 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14, igr1=1133,1137, igr2=1618,1619, &end # # 40 PHE HA 41 GLY H 3.03 &rst ixpk= 0, nxpk= 0, iat= 591, 609, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end # # 40 PHE HA 44 ASP HB2 4.03 &rst ixpk= 0, nxpk= 0, iat= 591, 649, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end # # 40 PHE HA 44 ASP HB3 4.35 &rst ixpk= 0, nxpk= 0, iat= 591, 650, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end # # 40 PHE HA 44 ASP H 5.06 &rst ixpk= 0, nxpk= 0, iat= 591, 645, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end # # 40 PHE HA 41 GLY HA2 4.62 &rst ixpk= 0, nxpk= 0, iat= 591, 611, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end # # 23 LYS H 57 SER HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 323, 858, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 57 SER HA 58 ALA QB 4.39 &rst ixpk= 0, nxpk= 0, iat= 858, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, igr2= 871, 872, 873, &end # # 39 GLU HA 40 PHE HA 5.18 &rst ixpk= 0, nxpk= 0, iat= 576, 591, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end # # 26 PRO HA 27 GLU HB2 5.17 &rst ixpk= 0, nxpk= 0, iat= 377, 385, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end # # 39 GLU HA 39 GLU QB 2.87 &rst ixpk= 0, nxpk= 0, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, igr2= 578, 579, &end # # 65 GLN HB3 67 ASN H 5.50 &rst ixpk= 0, nxpk= 0, iat= 993,1019, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 65 GLN H 65 GLN HB3 3.71 &rst ixpk= 0, nxpk= 0, iat= 988, 993, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end # # 65 GLN HB3 66 THR H 3.90 &rst ixpk= 0, nxpk= 0, iat= 993,1005, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end # # 65 GLN HB3 66 THR QG2 3.82 &rst ixpk= 0, nxpk= 0, iat= 993, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, igr2=1011,1012,1013, &end # # 65 GLN HB2 65 GLN HE21 4.88 &rst ixpk= 0, nxpk= 0, iat= 992,1001, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end # # 26 PRO HA 27 GLU HB3 5.17 &rst ixpk= 0, nxpk= 0, iat= 377, 386, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end # # 27 GLU H 27 GLU HB2 3.02 &rst ixpk= 0, nxpk= 0, iat= 381, 385, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end # # 94 GLN HB3 95 ILE H 4.79 &rst ixpk= 0, nxpk= 0, iat=1414,1426, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end # # 34 TYR QD 101 LYS HD3 5.30 &rst ixpk= 0, nxpk= 0, iat= -1,1545, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, igr1= 493, 502, &end # # 108 LYS HA 108 LYS QD 3.80 &rst ixpk= 0, nxpk= 0, iat=1667, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, igr2=1675,1676, &end # # 101 LYS HA 101 LYS HD3 4.98 &rst ixpk= 0, nxpk= 0, iat=1536,1545, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end # # 64 LYS HA 64 LYS QD 4.43 &rst ixpk= 0, nxpk= 0, iat= 968, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr2= 976, 977, &end # # 34 TYR QD 101 LYS HD2 5.30 &rst ixpk= 0, nxpk= 0, iat= -1,1544, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, igr1= 493, 502, &end # # 101 LYS HA 101 LYS HD2 4.98 &rst ixpk= 0, nxpk= 0, iat=1536,1544, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end # # 77 TYR HA 77 TYR QE 4.89 &rst ixpk= 0, nxpk= 0, iat=1172, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, igr2=1180,1185, &end # # 55 VAL HA 77 TYR HA 3.58 &rst ixpk= 0, nxpk= 0, iat= 823,1172, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end # # 43 GLN QG 44 ASP HA 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 647, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 635, 636, &end # # 64 LYS QD 65 GLN H 5.33 &rst ixpk= 0, nxpk= 0, iat= -1, 988, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, igr1= 976, 977, &end # # 40 PHE QE 45 ILE HG13 4.83 &rst ixpk= 0, nxpk= 0, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, igr1= 599, 603, &end # # 33 ILE QD1 45 ILE HG13 4.34 &rst ixpk= 0, nxpk= 0, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, igr1= 479, 480, 481, &end # # 45 ILE HG13 75 VAL QG2 4.50 &rst ixpk= 0, nxpk= 0, iat= 668, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1153,1154,1155, &end # # 45 ILE HG13 49 PHE QD 3.94 &rst ixpk= 0, nxpk= 0, iat= 668, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, igr2= 737, 745, &end # # 45 ILE H 45 ILE HG13 4.55 &rst ixpk= 0, nxpk= 0, iat= 657, 668, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end # # 45 ILE HG13 49 PHE QE 4.34 &rst ixpk= 0, nxpk= 0, iat= 668, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, igr2= 739, 743, &end # # 45 ILE HA 45 ILE HG13 3.73 &rst ixpk= 0, nxpk= 0, iat= 659, 668, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end # # 45 ILE HG12 49 PHE QD 3.97 &rst ixpk= 0, nxpk= 0, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, igr2= 737, 745, &end # # 45 ILE H 45 ILE HG12 4.64 &rst ixpk= 0, nxpk= 0, iat= 657, 667, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end # # 45 ILE HG12 75 VAL QG2 3.81 &rst ixpk= 0, nxpk= 0, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr2=1153,1154,1155, &end # # 45 ILE HA 45 ILE HG12 4.11 &rst ixpk= 0, nxpk= 0, iat= 659, 667, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end # # 33 ILE HG12 34 TYR H 5.50 &rst ixpk= 0, nxpk= 0, iat= 476, 485, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 33 ILE HG13 34 TYR H 5.24 &rst ixpk= 0, nxpk= 0, iat= 477, 485, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end # # 55 VAL QG2 77 TYR HA 4.76 &rst ixpk= 0, nxpk= 0, iat= -1,1172, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, igr1= 831, 832, 833, &end # # 108 LYS HA 111 SER QB 4.18 &rst ixpk= 0, nxpk= 0, iat=1667, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, igr2=1717,1718, &end # # 108 LYS HA 108 LYS QE 5.03 &rst ixpk= 0, nxpk= 0, iat=1667, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, igr2=1678,1679, &end # # 41 GLY H 44 ASP HA 4.82 &rst ixpk= 0, nxpk= 0, iat= 609, 647, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end # # 45 ILE HB 45 ILE HG13 3.01 &rst ixpk= 0, nxpk= 0, iat= 661, 668, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end # # 98 LYS H 98 LYS QD 5.36 &rst ixpk= 0, nxpk= 0, iat=1469, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, igr2=1479,1480, &end # # 98 LYS HA 98 LYS QD 3.89 &rst ixpk= 0, nxpk= 0, iat=1471, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, igr2=1479,1480, &end # # 98 LYS QD 99 ARG H 4.78 &rst ixpk= 0, nxpk= 0, iat= -1,1491, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr1=1479,1480, &end # # 45 ILE HG12 49 PHE QE 4.78 &rst ixpk= 0, nxpk= 0, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr2= 739, 743, &end # # 45 ILE QG2 45 ILE HG12 3.41 &rst ixpk= 0, nxpk= 0, iat= -1, 667, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, igr1= 663, 664, 665, &end # # 33 ILE HG12 45 ILE QD1 4.62 &rst ixpk= 0, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, igr2= 670, 671, 672, &end # # 33 ILE HA 33 ILE HG12 3.91 &rst ixpk= 0, nxpk= 0, iat= 468, 476, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end # # 33 ILE H 33 ILE HG12 4.40 &rst ixpk= 0, nxpk= 0, iat= 466, 476, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 33 ILE HG12 49 PHE QE 4.67 &rst ixpk= 0, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, igr2= 739, 743, &end # # 33 ILE HG12 49 PHE HZ 5.01 &rst ixpk= 0, nxpk= 0, iat= 476, 741, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end # # 33 ILE HG13 49 PHE QE 4.41 &rst ixpk= 0, nxpk= 0, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr2= 739, 743, &end # # 33 ILE HG13 45 ILE QD1 5.11 &rst ixpk= 0, nxpk= 0, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64, igr2= 670, 671, 672, &end # # 32 PHE HA 33 ILE HG13 5.50 &rst ixpk= 0, nxpk= 0, iat= 448, 477, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 107 SER HA 108 LYS HA 4.57 &rst ixpk= 0, nxpk= 0, iat=1656,1667, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end # # 32 PHE HA 33 ILE HG12 5.50 &rst ixpk= 0, nxpk= 0, iat= 448, 476, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 32 PHE HA 33 ILE HA 5.04 &rst ixpk= 0, nxpk= 0, iat= 448, 468, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end # # 105 LYS HA 106 ARG H 3.39 &rst ixpk= 0, nxpk= 0, iat=1610,1630, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end # # 32 PHE QE 105 LYS HA 4.52 &rst ixpk= 0, nxpk= 0, iat= -1,1610, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, igr1= 456, 460, &end # # 105 LYS HA 105 LYS QG 3.90 &rst ixpk= 0, nxpk= 0, iat=1610, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, igr2=1615,1616, &end # # 15 VAL QQG 17 ARG HA 5.04 &rst ixpk= 0, nxpk= 0, iat= -1, 232, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29, igr1= 206, 207, 208, 210, 211, 212, &end # # 32 PHE HA 33 ILE QD1 4.55 &rst ixpk= 0, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, igr2= 479, 480, 481, &end # # 32 PHE HA 33 ILE HB 4.85 &rst ixpk= 0, nxpk= 0, iat= 448, 470, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end # # 34 TYR HA 72 PHE HB2 4.45 &rst ixpk= 0, nxpk= 0, iat= 487,1100, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end # # 34 TYR HA 35 HIP HA 4.66 &rst ixpk= 0, nxpk= 0, iat= 487, 508, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end # # 33 ILE QG2 34 TYR HA 5.01 &rst ixpk= 0, nxpk= 0, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, igr1= 472, 473, 474, &end # # 91 ASN HA 92 GLY HA2 4.47 &rst ixpk= 0, nxpk= 0, iat=1370,1384, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end # # 91 ASN HA 102 VAL HB 4.26 &rst ixpk= 0, nxpk= 0, iat=1370,1560, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end # # 31 LEU H 76 SER HA 4.40 &rst ixpk= 0, nxpk= 0, iat= 427,1161, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 34 TYR HA 36 LEU HG 5.01 &rst ixpk= 0, nxpk= 0, iat= 487, 531, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end # # 91 ASN HA 102 VAL H 3.82 &rst ixpk= 0, nxpk= 0, iat=1370,1556, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end # # 17 ARG HA 17 ARG QD 3.90 &rst ixpk= 0, nxpk= 0, iat= 232, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, igr2= 240, 241, &end # # 59 LYS HD2 60 VAL H 4.55 &rst ixpk= 0, nxpk= 0, iat= 887, 899, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end # # 25 GLY H 76 SER HA 5.35 &rst ixpk= 0, nxpk= 0, iat= 360,1161, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end # # 17 ARG HA 18 GLY QA 4.21 &rst ixpk= 0, nxpk= 0, iat= 232, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr2= 256, 257, &end # # 87 ILE H 88 GLN QB 5.04 &rst ixpk= 0, nxpk= 0, iat=1305, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, igr2=1328,1329, &end # # 88 GLN H 88 GLN QB 2.69 &rst ixpk= 0, nxpk= 0, iat=1324, -1, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, igr2=1328,1329, &end # # 88 GLN QB 90 MET H 5.17 &rst ixpk= 0, nxpk= 0, iat= -1,1351, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr1=1328,1329, &end # # 47 GLN QB 48 MET H 2.96 &rst ixpk= 0, nxpk= 0, iat= -1, 712, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, igr1= 699, 700, &end # # 47 GLN HA 47 GLN QB 2.80 &rst ixpk= 0, nxpk= 0, iat= 697, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr2= 699, 700, &end # # 88 GLN HA 88 GLN QB 3.01 &rst ixpk= 0, nxpk= 0, iat=1326, -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, igr2=1328,1329, &end # # 88 GLN QB 89 ALA QB 4.37 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, igr1=1328,1329, igr2=1345,1346,1347, &end # # 87 ILE QG2 88 GLN QB 4.43 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, igr1=1311,1312,1313, igr2=1328,1329, &end # # 85 ALA QB 88 GLN QB 4.92 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13, igr1=1289,1290,1291, igr2=1328,1329, &end # # 59 LYS HD3 61 PHE QE 5.24 &rst ixpk= 0, nxpk= 0, iat= 888, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr2= 925, 929, &end # # 59 LYS HD2 61 PHE QE 5.24 &rst ixpk= 0, nxpk= 0, iat= 887, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr2= 925, 929, &end # # 37 PRO QG 39 GLU QG 3.94 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, igr1= 547, 548, igr2= 581, 582, &end # # 37 PRO QG 40 PHE QE 4.42 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr1= 547, 548, igr2= 599, 603, &end # # 106 ARG HA 106 ARG QG 3.43 &rst ixpk= 0, nxpk= 0, iat=1632, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, igr2=1637,1638, &end # # 87 ILE HA 88 GLN QB 5.50 &rst ixpk= 0, nxpk= 0, iat=1307, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1328,1329, &end # # 95 ILE H 99 ARG HG3 5.06 &rst ixpk= 0, nxpk= 0, iat=1426,1499, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end # # 99 ARG H 99 ARG HG3 4.17 &rst ixpk= 0, nxpk= 0, iat=1491,1499, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end # # 99 ARG HA 99 ARG HG2 3.90 &rst ixpk= 0, nxpk= 0, iat=1493,1498, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end # # 94 GLN HA 99 ARG HG2 4.21 &rst ixpk= 0, nxpk= 0, iat=1411,1498, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end # # 99 ARG HG2 100 LEU H 4.36 &rst ixpk= 0, nxpk= 0, iat=1498,1515, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end # # 94 GLN QG 99 ARG HG2 4.12 &rst ixpk= 0, nxpk= 0, iat= -1,1498, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, igr1=1416,1417, &end # # 100 LEU HA 100 LEU QD2 3.87 &rst ixpk= 0, nxpk= 0, iat=1517, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr2=1528,1529,1530, &end # # 43 GLN HB3 44 ASP H 3.78 &rst ixpk= 0, nxpk= 0, iat= 633, 645, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end # # 43 GLN HB2 44 ASP H 3.78 &rst ixpk= 0, nxpk= 0, iat= 632, 645, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end # # 99 ARG HG3 100 LEU H 5.08 &rst ixpk= 0, nxpk= 0, iat=1499,1515, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end # # 92 GLY HA2 99 ARG HG3 5.50 &rst ixpk= 0, nxpk= 0, iat=1384,1499, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 94 GLN QG 99 ARG HG3 4.38 &rst ixpk= 0, nxpk= 0, iat= -1,1499, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr1=1416,1417, &end # # 99 ARG H 99 ARG HG2 4.61 &rst ixpk= 0, nxpk= 0, iat=1491,1498, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end # # 94 GLN HA 99 ARG HA 2.73 &rst ixpk= 0, nxpk= 0, iat=1411,1493, r1= 1.30, r2= 1.80, r3= 2.73, r4= 3.23, &end # # 93 PHE HA 94 GLN HA 4.53 &rst ixpk= 0, nxpk= 0, iat=1391,1411, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end # # 81 VAL HA 84 GLN QB 3.75 &rst ixpk= 0, nxpk= 0, iat=1233, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, igr2=1272,1273, &end # # 84 GLN QB 87 ILE QD1 4.83 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, igr1=1272,1273, igr2=1318,1319,1320, &end # # 43 GLN H 43 GLN HB2 3.55 &rst ixpk= 0, nxpk= 0, iat= 628, 632, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end # # 50 MET H 51 PRO HG3 5.47 &rst ixpk= 0, nxpk= 0, iat= 749, 771, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end # # 94 GLN HA 95 ILE H 3.11 &rst ixpk= 0, nxpk= 0, iat=1411,1426, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end # # 93 PHE QD 94 GLN HA 4.39 &rst ixpk= 0, nxpk= 0, iat= -1,1411, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, igr1=1397,1405, &end # # 104 LEU HA 105 LYS H 3.28 &rst ixpk= 0, nxpk= 0, iat=1591,1608, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end # # 84 GLN QB 84 GLN HE21 4.65 &rst ixpk= 0, nxpk= 0, iat= -1,1281, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr1=1272,1273, &end # # 84 GLN QB 85 ALA QB 4.07 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, igr1=1272,1273, igr2=1289,1290,1291, &end # # 37 PRO QB 95 ILE HG12 3.91 &rst ixpk= 0, nxpk= 0, iat= -1,1436, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, igr1= 550, 551, &end # # 24 GLU HA 74 PHE QE 5.32 &rst ixpk= 0, nxpk= 0, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, igr2=1133,1137, &end # # 23 LYS HA 24 GLU HA 4.71 &rst ixpk= 0, nxpk= 0, iat= 325, 347, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end # # 22 GLN HA 57 SER HA 5.27 &rst ixpk= 0, nxpk= 0, iat= 308, 858, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end # # 40 PHE QE 95 ILE HG12 5.09 &rst ixpk= 0, nxpk= 0, iat= -1,1436, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, igr1= 599, 603, &end # # 93 PHE QE 95 ILE HG12 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1436, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1399,1403, &end # # 93 PHE QD 95 ILE HG13 4.91 &rst ixpk= 0, nxpk= 0, iat= -1,1437, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, igr1=1397,1405, &end # # 37 PRO HD3 95 ILE HG13 5.10 &rst ixpk= 0, nxpk= 0, iat= 545,1437, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 37 PRO QB 95 ILE HG13 5.08 &rst ixpk= 0, nxpk= 0, iat= -1,1437, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr1= 550, 551, &end # # 95 ILE H 95 ILE HG13 4.87 &rst ixpk= 0, nxpk= 0, iat=1426,1437, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end # # 37 PRO QG 95 ILE HG13 4.11 &rst ixpk= 0, nxpk= 0, iat= -1,1437, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, igr1= 547, 548, &end # # 61 PHE QE 74 PHE HA 5.37 &rst ixpk= 0, nxpk= 0, iat= -1,1125, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr1= 925, 929, &end # # 33 ILE H 74 PHE HA 4.31 &rst ixpk= 0, nxpk= 0, iat= 466,1125, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end # # 24 GLU HA 76 SER HB2 4.62 &rst ixpk= 0, nxpk= 0, iat= 347,1163, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end # # 80 PRO HG2 81 VAL H 3.76 &rst ixpk= 0, nxpk= 0, iat=1221,1231, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end # # 26 PRO HG3 79 ASN HB2 5.50 &rst ixpk= 0, nxpk= 0, iat= 372,1207, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 79 ASN HB2 80 PRO HG3 5.50 &rst ixpk= 0, nxpk= 0, iat=1207,1222, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 32 PHE HA 74 PHE HA 4.09 &rst ixpk= 0, nxpk= 0, iat= 448,1125, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end # # 80 PRO HG3 81 VAL H 4.32 &rst ixpk= 0, nxpk= 0, iat=1222,1231, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end # # 26 PRO HG2 80 PRO HG2 5.50 &rst ixpk= 0, nxpk= 0, iat= 371,1221, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 45 ILE QD1 74 PHE HA 4.95 &rst ixpk= 0, nxpk= 0, iat= -1,1125, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr1= 670, 671, 672, &end # # 26 PRO HG3 79 ASN HA 3.63 &rst ixpk= 0, nxpk= 0, iat= 372,1205, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end # # 26 PRO HG3 29 ALA QB 3.41 &rst ixpk= 0, nxpk= 0, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, igr2= 407, 408, 409, &end # # 35 HIP H 72 PHE HA 4.99 &rst ixpk= 0, nxpk= 0, iat= 506,1098, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end # # 33 ILE QG2 72 PHE HA 4.77 &rst ixpk= 0, nxpk= 0, iat= -1,1098, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, igr1= 472, 473, 474, &end # # 36 LEU HA 72 PHE HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 526,1098, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 36 LEU HG 72 PHE HA 4.50 &rst ixpk= 0, nxpk= 0, iat= 531,1098, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 72 PHE HA 73 GLY H 3.50 &rst ixpk= 0, nxpk= 0, iat=1098,1116, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 34 TYR HA 72 PHE HA 3.79 &rst ixpk= 0, nxpk= 0, iat= 487,1098, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end # # 13 GLY QA 14 LEU HA 4.19 &rst ixpk= 0, nxpk= 0, iat= -1, 183, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, igr1= 176, 177, &end # # 66 THR H 67 ASN HA 4.41 &rst ixpk= 0, nxpk= 0, iat=1005,1021, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end # # 26 PRO HG2 29 ALA H 4.32 &rst ixpk= 0, nxpk= 0, iat= 371, 403, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end # # 26 PRO HG2 79 ASN HA 4.05 &rst ixpk= 0, nxpk= 0, iat= 371,1205, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end # # 105 LYS QG 106 ARG QG 3.78 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr1=1615,1616, igr2=1637,1638, &end # # 106 ARG H 106 ARG QG 4.08 &rst ixpk= 0, nxpk= 0, iat=1630, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr2=1637,1638, &end # # 36 LEU HG 73 GLY H 5.11 &rst ixpk= 0, nxpk= 0, iat= 531,1116, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end # # 35 HIP H 36 LEU HG 5.50 &rst ixpk= 0, nxpk= 0, iat= 506, 531, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 14 LEU HA 14 LEU QD2 4.03 &rst ixpk= 0, nxpk= 0, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, igr2= 194, 195, 196, &end # # 17 ARG H 17 ARG HG3 5.34 &rst ixpk= 0, nxpk= 0, iat= 230, 238, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end # # 17 ARG H 17 ARG HG2 5.34 &rst ixpk= 0, nxpk= 0, iat= 230, 237, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end # # 105 LYS HA 106 ARG QG 4.60 &rst ixpk= 0, nxpk= 0, iat=1610, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr2=1637,1638, &end # # 43 GLN HA 46 LEU HG 5.43 &rst ixpk= 0, nxpk= 0, iat= 630, 683, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end # # 46 LEU HG 58 ALA QB 3.77 &rst ixpk= 0, nxpk= 0, iat= 683, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr2= 871, 872, 873, &end # # 46 LEU HG 50 MET QG 4.46 &rst ixpk= 0, nxpk= 0, iat= 683, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, igr2= 756, 757, &end # # 56 ILE H 56 ILE HG13 3.75 &rst ixpk= 0, nxpk= 0, iat= 837, 848, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end # # 56 ILE HG13 57 SER H 4.65 &rst ixpk= 0, nxpk= 0, iat= 848, 856, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end # # 56 ILE HG13 77 TYR HA 4.56 &rst ixpk= 0, nxpk= 0, iat= 848,1172, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end # # 56 ILE H 56 ILE HG12 3.85 &rst ixpk= 0, nxpk= 0, iat= 837, 847, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end # # 85 ALA HA 86 ALA HA 5.40 &rst ixpk= 0, nxpk= 0, iat=1287,1297, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 85 ALA HA 88 GLN QG 5.50 &rst ixpk= 0, nxpk= 0, iat=1287, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1331,1332, &end # # 85 ALA HA 89 ALA QB 5.22 &rst ixpk= 0, nxpk= 0, iat=1287, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, igr2=1345,1346,1347, &end # # 85 ALA HA 89 ALA H 4.93 &rst ixpk= 0, nxpk= 0, iat=1287,1341, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end # # 77 TYR H 83 ALA HA 5.50 &rst ixpk= 0, nxpk= 0, iat=1170,1260, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 31 LEU QD2 83 ALA HA 3.94 &rst ixpk= 0, nxpk= 0, iat= -1,1260, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr1= 440, 441, 442, &end # # 100 LEU H 100 LEU HG 4.07 &rst ixpk= 0, nxpk= 0, iat=1515,1522, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end # # 112 LYS QG 113 PRO HG2 5.46 &rst ixpk= 0, nxpk= 0, iat= -1,1750, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63, igr1=1731,1732, &end # # 112 LYS HA 113 PRO HG2 4.74 &rst ixpk= 0, nxpk= 0, iat=1726,1750, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end # # 112 LYS QB 113 PRO HG2 3.82 &rst ixpk= 0, nxpk= 0, iat= -1,1750, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, igr1=1728,1729, &end # # 112 LYS HA 113 PRO HG3 4.58 &rst ixpk= 0, nxpk= 0, iat=1726,1751, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end # # 36 LEU H 36 LEU HG 4.16 &rst ixpk= 0, nxpk= 0, iat= 524, 531, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end # # 33 ILE QG2 36 LEU HG 4.16 &rst ixpk= 0, nxpk= 0, iat= -1, 531, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 472, 473, 474, &end # # 56 ILE HG12 57 SER H 5.15 &rst ixpk= 0, nxpk= 0, iat= 847, 856, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end # # 84 GLN HA 85 ALA HA 4.91 &rst ixpk= 0, nxpk= 0, iat=1270,1287, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end # # 85 ALA HA 88 GLN QB 3.86 &rst ixpk= 0, nxpk= 0, iat=1287, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, igr2=1328,1329, &end # # 62 ILE QG1 70 LYS H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 945, 946, &end # # 25 GLY H 56 ILE HG13 5.50 &rst ixpk= 0, nxpk= 0, iat= 360, 848, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 91 ASN HA 101 LYS HA 4.29 &rst ixpk= 0, nxpk= 0, iat=1370,1536, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end # # 101 LYS HA 102 VAL HB 4.90 &rst ixpk= 0, nxpk= 0, iat=1536,1560, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 62 ILE HA 62 ILE HG13 4.11 &rst ixpk= 0, nxpk= 0, iat= 937, 946, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end # # 62 ILE H 62 ILE HG13 4.62 &rst ixpk= 0, nxpk= 0, iat= 935, 946, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end # # 62 ILE HG12 63 ASP H 5.50 &rst ixpk= 0, nxpk= 0, iat= 945, 954, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 62 ILE HG13 63 ASP H 5.50 &rst ixpk= 0, nxpk= 0, iat= 946, 954, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 62 ILE HA 62 ILE HG12 4.10 &rst ixpk= 0, nxpk= 0, iat= 937, 945, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 60 VAL HB 62 ILE HG12 5.50 &rst ixpk= 0, nxpk= 0, iat= 903, 945, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 31 LEU QD2 32 PHE H 4.83 &rst ixpk= 0, nxpk= 0, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr1= 440, 441, 442, &end # # 86 ALA HA 90 MET H 4.61 &rst ixpk= 0, nxpk= 0, iat=1297,1351, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end # # 49 PHE QE 86 ALA HA 4.84 &rst ixpk= 0, nxpk= 0, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr1= 739, 743, &end # # 31 LEU HG 33 ILE QD1 5.50 &rst ixpk= 0, nxpk= 0, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 479, 480, 481, &end # # 31 LEU HG 75 VAL QG1 5.50 &rst ixpk= 0, nxpk= 0, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1149,1150,1151, &end # # 31 LEU H 31 LEU QD2 4.38 &rst ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, igr2= 440, 441, 442, &end # # 34 TYR HA 36 LEU QD2 5.50 &rst ixpk= 0, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 537, 538, 539, &end # # 36 LEU H 36 LEU QD2 4.24 &rst ixpk= 0, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, igr2= 537, 538, 539, &end # # 98 LYS QB 99 ARG HA 4.74 &rst ixpk= 0, nxpk= 0, iat= -1,1493, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, igr1=1473,1474, &end # # 35 HIP HB3 98 LYS QB 4.62 &rst ixpk= 0, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr2=1473,1474, &end # # 30 ASN HA 31 LEU QD2 5.50 &rst ixpk= 0, nxpk= 0, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 440, 441, 442, &end # # 31 LEU HA 31 LEU QD2 4.32 &rst ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr2= 440, 441, 442, &end # # 36 LEU QD2 40 PHE HB3 5.42 &rst ixpk= 0, nxpk= 0, iat= -1, 594, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, igr1= 537, 538, 539, &end # # 36 LEU QD2 40 PHE QD 4.67 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1= 537, 538, 539, igr2= 597, 605, &end # # 36 LEU QD2 72 PHE HA 4.42 &rst ixpk= 0, nxpk= 0, iat= -1,1098, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, igr1= 537, 538, 539, &end # # 33 ILE QG2 36 LEU QD2 3.04 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, igr1= 472, 473, 474, igr2= 537, 538, 539, &end # # 36 LEU QD2 37 PRO HD2 4.85 &rst ixpk= 0, nxpk= 0, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, igr1= 537, 538, 539, &end # # 95 ILE H 99 ARG HA 4.03 &rst ixpk= 0, nxpk= 0, iat=1426,1493, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end # # 99 ARG HA 100 LEU H 3.02 &rst ixpk= 0, nxpk= 0, iat=1493,1515, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end # # 86 ALA HA 89 ALA HA 4.88 &rst ixpk= 0, nxpk= 0, iat=1297,1343, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end # # 88 GLN QB 89 ALA HA 4.17 &rst ixpk= 0, nxpk= 0, iat= -1,1343, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, igr1=1328,1329, &end # # 66 THR QG2 68 LEU HG 5.09 &rst ixpk= 0, nxpk= 0, iat= -1,1040, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, igr1=1011,1012,1013, &end # # 70 LYS HA 70 LYS QG 3.48 &rst ixpk= 0, nxpk= 0, iat=1065, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, igr2=1070,1071, &end # # 63 ASP HB2 70 LYS QG 4.58 &rst ixpk= 0, nxpk= 0, iat= 958, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr2=1070,1071, &end # # 112 LYS HA 113 PRO HD3 2.78 &rst ixpk= 0, nxpk= 0, iat=1726,1748, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28, &end # # 112 LYS HA 114 TRP H 5.08 &rst ixpk= 0, nxpk= 0, iat=1726,1760, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end # # 70 LYS H 70 LYS QG 4.11 &rst ixpk= 0, nxpk= 0, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, igr2=1070,1071, &end # # 63 ASP HB3 70 LYS QG 4.58 &rst ixpk= 0, nxpk= 0, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr2=1070,1071, &end # # 61 PHE QD 70 LYS QG 4.95 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74, igr1= 923, 931, igr2=1070,1071, &end # # 100 LEU H 100 LEU QD2 3.89 &rst ixpk= 0, nxpk= 0, iat=1515, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, igr2=1528,1529,1530, &end # # 31 LEU HA 105 LYS HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 429,1610, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 93 PHE H 100 LEU QD2 5.50 &rst ixpk= 0, nxpk= 0, iat=1389, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1528,1529,1530, &end # # 93 PHE HB3 100 LEU QD2 4.66 &rst ixpk= 0, nxpk= 0, iat=1394, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, igr2=1528,1529,1530, &end # # 31 LEU HA 104 LEU HA 3.83 &rst ixpk= 0, nxpk= 0, iat= 429,1591, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end # # 31 LEU HA 83 ALA QB 4.69 &rst ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, igr2=1262,1263,1264, &end # # 90 MET HA 102 VAL QG2 5.50 &rst ixpk= 0, nxpk= 0, iat=1353, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1566,1567,1568, &end # # 62 ILE QG2 68 LEU HA 5.19 &rst ixpk= 0, nxpk= 0, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73, igr1= 941, 942, 943, &end # # 62 ILE QD1 68 LEU HA 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 948, 949, 950, &end # # 89 ALA H 90 MET HA 5.13 &rst ixpk= 0, nxpk= 0, iat=1341,1353, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end # # 90 MET HA 93 PHE H 4.78 &rst ixpk= 0, nxpk= 0, iat=1353,1389, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end # # 90 MET HA 93 PHE HB3 4.44 &rst ixpk= 0, nxpk= 0, iat=1353,1394, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end # # 90 MET HA 91 ASN HA 4.95 &rst ixpk= 0, nxpk= 0, iat=1353,1370, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end # # 90 MET HA 93 PHE HB2 3.67 &rst ixpk= 0, nxpk= 0, iat=1353,1393, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end # # 89 ALA HA 90 MET HA 4.72 &rst ixpk= 0, nxpk= 0, iat=1343,1353, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end # # 103 GLN HA 103 GLN HG2 3.83 &rst ixpk= 0, nxpk= 0, iat=1574,1579, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end # # 87 ILE QG2 103 GLN HA 3.40 &rst ixpk= 0, nxpk= 0, iat= -1,1574, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, igr1=1311,1312,1313, &end # # 68 LEU HA 69 SER H 3.21 &rst ixpk= 0, nxpk= 0, iat=1035,1052, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end # # 68 LEU HA 68 LEU HG 3.82 &rst ixpk= 0, nxpk= 0, iat=1035,1040, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end # # 103 GLN HA 104 LEU H 2.91 &rst ixpk= 0, nxpk= 0, iat=1574,1589, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end # # 30 ASN H 104 LEU HG 4.53 &rst ixpk= 0, nxpk= 0, iat= 413,1596, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end # # 104 LEU HA 104 LEU HG 3.50 &rst ixpk= 0, nxpk= 0, iat=1591,1596, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 84 GLN QG 104 LEU HG 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1596, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1275,1276, &end # # 103 GLN HA 103 GLN HG3 3.83 &rst ixpk= 0, nxpk= 0, iat=1574,1580, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end # # 104 LEU HG 105 LYS H 3.88 &rst ixpk= 0, nxpk= 0, iat=1596,1608, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end # # 56 ILE HG13 78 ASP HA 4.44 &rst ixpk= 0, nxpk= 0, iat= 848,1193, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end # # 98 LYS H 98 LYS HG2 5.18 &rst ixpk= 0, nxpk= 0, iat=1469,1476, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end # # 46 LEU HB3 46 LEU QD1 3.52 &rst ixpk= 0, nxpk= 0, iat= 681, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, igr2= 685, 686, 687, &end # # 31 LEU QD1 32 PHE H 4.83 &rst ixpk= 0, nxpk= 0, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr1= 436, 437, 438, &end # # 31 LEU QD1 77 TYR QE 4.25 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, igr1= 436, 437, 438, igr2=1180,1185, &end # # 31 LEU QD1 87 ILE H 4.02 &rst ixpk= 0, nxpk= 0, iat= -1,1305, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr1= 436, 437, 438, &end # # 31 LEU HA 31 LEU QD1 4.32 &rst ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr2= 436, 437, 438, &end # # 31 LEU QD1 83 ALA HA 3.94 &rst ixpk= 0, nxpk= 0, iat= -1,1260, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr1= 436, 437, 438, &end # # 31 LEU QD1 87 ILE HA 4.80 &rst ixpk= 0, nxpk= 0, iat= -1,1307, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, igr1= 436, 437, 438, &end # # 31 LEU QD1 87 ILE HG13 3.58 &rst ixpk= 0, nxpk= 0, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, igr1= 436, 437, 438, &end # # 31 LEU HB3 31 LEU QD1 4.14 &rst ixpk= 0, nxpk= 0, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr2= 436, 437, 438, &end # # 77 TYR HA 78 ASP HA 4.99 &rst ixpk= 0, nxpk= 0, iat=1172,1193, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end # # 25 GLY HA3 78 ASP HA 4.76 &rst ixpk= 0, nxpk= 0, iat= 363,1193, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end # # 54 ASN QB 78 ASP HA 5.31 &rst ixpk= 0, nxpk= 0, iat= -1,1193, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, igr1= 811, 812, &end # # 26 PRO HG3 78 ASP HA 4.86 &rst ixpk= 0, nxpk= 0, iat= 372,1193, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end # # 105 LYS H 105 LYS QG 4.53 &rst ixpk= 0, nxpk= 0, iat=1608, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr2=1615,1616, &end # # 53 GLY HA2 54 ASN HA 4.63 &rst ixpk= 0, nxpk= 0, iat= 802, 809, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end # # 101 LYS HG2 102 VAL H 4.91 &rst ixpk= 0, nxpk= 0, iat=1541,1556, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end # # 32 PHE QE 105 LYS QG 4.54 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, igr1= 456, 460, igr2=1615,1616, &end # # 68 LEU HA 68 LEU QD1 3.93 &rst ixpk= 0, nxpk= 0, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2=1042,1043,1044, &end # # 30 ASN HA 30 ASN HD22 5.07 &rst ixpk= 0, nxpk= 0, iat= 415, 422, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end # # 30 ASN HA 31 LEU QD1 5.50 &rst ixpk= 0, nxpk= 0, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 436, 437, 438, &end # # 54 ASN HA 55 VAL H 2.77 &rst ixpk= 0, nxpk= 0, iat= 809, 821, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27, &end # # 36 LEU HA 37 PRO HD3 3.39 &rst ixpk= 0, nxpk= 0, iat= 526, 545, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end # # 36 LEU HA 37 PRO HD2 3.51 &rst ixpk= 0, nxpk= 0, iat= 526, 544, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end # # 36 LEU HA 100 LEU QD1 4.96 &rst ixpk= 0, nxpk= 0, iat= 526, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, igr2=1524,1525,1526, &end # # 63 ASP HA 64 LYS QG 5.18 &rst ixpk= 0, nxpk= 0, iat= 956, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, igr2= 973, 974, &end # # 101 LYS HA 101 LYS HG2 4.21 &rst ixpk= 0, nxpk= 0, iat=1536,1541, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end # # 101 LYS HG3 102 VAL H 4.91 &rst ixpk= 0, nxpk= 0, iat=1542,1556, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end # # 68 LEU QD1 69 SER H 4.59 &rst ixpk= 0, nxpk= 0, iat= -1,1052, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, igr1=1042,1043,1044, &end # # 38 GLN HE22 68 LEU QD1 4.37 &rst ixpk= 0, nxpk= 0, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, igr2=1042,1043,1044, &end # # 68 LEU H 68 LEU QD1 4.70 &rst ixpk= 0, nxpk= 0, iat=1033, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, igr2=1042,1043,1044, &end # # 38 GLN HE21 68 LEU QD1 4.37 &rst ixpk= 0, nxpk= 0, iat= 570, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, igr2=1042,1043,1044, &end # # 30 ASN HA 77 TYR H 4.21 &rst ixpk= 0, nxpk= 0, iat= 415,1170, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end # # 36 LEU HA 100 LEU QD2 4.96 &rst ixpk= 0, nxpk= 0, iat= 526, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, igr2=1528,1529,1530, &end # # 101 LYS H 101 LYS HG2 4.92 &rst ixpk= 0, nxpk= 0, iat=1534,1541, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end # # 101 LYS H 101 LYS HG3 4.92 &rst ixpk= 0, nxpk= 0, iat=1534,1542, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end # # 101 LYS HA 101 LYS HG3 4.21 &rst ixpk= 0, nxpk= 0, iat=1536,1542, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end # # 14 LEU HA 14 LEU QD1 4.03 &rst ixpk= 0, nxpk= 0, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, igr2= 190, 191, 192, &end # # 111 SER QB 112 LYS QG 4.92 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, igr1=1717,1718, igr2=1731,1732, &end # # 93 PHE H 100 LEU QD1 5.50 &rst ixpk= 0, nxpk= 0, iat=1389, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1524,1525,1526, &end # # 93 PHE QD 100 LEU QD1 4.30 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr1=1397,1405, igr2=1524,1525,1526, &end # # 100 LEU H 100 LEU QD1 3.89 &rst ixpk= 0, nxpk= 0, iat=1515, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, igr2=1524,1525,1526, &end # # 100 LEU HA 100 LEU QD1 3.87 &rst ixpk= 0, nxpk= 0, iat=1517, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr2=1524,1525,1526, &end # # 34 TYR HA 36 LEU QD1 5.50 &rst ixpk= 0, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 533, 534, 535, &end # # 36 LEU QD1 40 PHE HB3 5.42 &rst ixpk= 0, nxpk= 0, iat= -1, 594, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, igr1= 533, 534, 535, &end # # 59 LYS HG2 61 PHE QD 5.50 &rst ixpk= 0, nxpk= 0, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 923, 931, &end # # 59 LYS HG2 74 PHE QD 5.50 &rst ixpk= 0, nxpk= 0, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1131,1139, &end # # 59 LYS HG3 61 PHE QD 5.50 &rst ixpk= 0, nxpk= 0, iat= 885, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 923, 931, &end # # 59 LYS HG3 74 PHE QD 5.50 &rst ixpk= 0, nxpk= 0, iat= 885, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1131,1139, &end # # 36 LEU QD1 72 PHE HA 4.42 &rst ixpk= 0, nxpk= 0, iat= -1,1098, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, igr1= 533, 534, 535, &end # # 36 LEU H 36 LEU QD1 4.24 &rst ixpk= 0, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, igr2= 533, 534, 535, &end # # 36 LEU QD1 40 PHE QD 4.67 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1= 533, 534, 535, igr2= 597, 605, &end # # 36 LEU QD1 37 PRO HD2 4.85 &rst ixpk= 0, nxpk= 0, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, igr1= 533, 534, 535, &end # # 104 LEU H 104 LEU QQD 3.98 &rst ixpk= 0, nxpk= 0, iat=1589, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr2=1598,1599,1600,1602,1603,1604, &end # # 104 LEU QQD 105 LYS H 3.27 &rst ixpk= 0, nxpk= 0, iat= -1,1608, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1598,1599,1600,1602,1603,1604, &end # # 30 ASN H 104 LEU QQD 3.87 &rst ixpk= 0, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr2=1598,1599,1600,1602,1603,1604, &end # # 31 LEU HA 104 LEU QQD 4.42 &rst ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, igr2=1598,1599,1600,1602,1603,1604, &end # # 104 LEU HA 104 LEU QQD 2.98 &rst ixpk= 0, nxpk= 0, iat=1591, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, igr2=1598,1599,1600,1602,1603,1604, &end # # 104 LEU HB2 104 LEU QQD 3.24 &rst ixpk= 0, nxpk= 0, iat=1593, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, igr2=1598,1599,1600,1602,1603,1604, &end # # 79 ASN H 80 PRO HD3 4.96 &rst ixpk= 0, nxpk= 0, iat=1203,1219, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end # # 49 PHE HA 51 PRO HD3 5.24 &rst ixpk= 0, nxpk= 0, iat= 731, 768, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end # # 91 ASN HB2 102 VAL QG1 4.21 &rst ixpk= 0, nxpk= 0, iat=1372, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr2=1562,1563,1564, &end # # 46 LEU QD2 50 MET QG 3.56 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1= 689, 690, 691, igr2= 756, 757, &end # # 46 LEU HB3 46 LEU QD2 3.52 &rst ixpk= 0, nxpk= 0, iat= 681, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, igr2= 689, 690, 691, &end # # 58 ALA HA 75 VAL HA 3.59 &rst ixpk= 0, nxpk= 0, iat= 869,1145, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end # # 79 ASN HA 80 PRO HD2 3.13 &rst ixpk= 0, nxpk= 0, iat=1205,1218, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end # # 79 ASN HB2 80 PRO HD2 3.64 &rst ixpk= 0, nxpk= 0, iat=1207,1218, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end # # 26 PRO HG2 80 PRO HD2 4.35 &rst ixpk= 0, nxpk= 0, iat= 371,1218, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end # # 80 PRO HD2 82 SER H 5.39 &rst ixpk= 0, nxpk= 0, iat=1218,1247, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end # # 80 PRO HD3 81 VAL H 4.23 &rst ixpk= 0, nxpk= 0, iat=1219,1231, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end # # 29 ALA QB 80 PRO HD3 4.00 &rst ixpk= 0, nxpk= 0, iat= -1,1219, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1= 407, 408, 409, &end # # 26 PRO HG2 80 PRO HD3 3.74 &rst ixpk= 0, nxpk= 0, iat= 371,1219, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end # # 49 PHE HA 51 PRO HD2 4.91 &rst ixpk= 0, nxpk= 0, iat= 731, 767, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end # # 50 MET HB3 51 PRO HD3 4.28 &rst ixpk= 0, nxpk= 0, iat= 754, 768, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end # # 50 MET H 51 PRO HD3 3.93 &rst ixpk= 0, nxpk= 0, iat= 749, 768, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end # # 47 GLN HA 51 PRO HD3 5.03 &rst ixpk= 0, nxpk= 0, iat= 697, 768, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end # # 51 PRO HD3 52 PHE H 4.37 &rst ixpk= 0, nxpk= 0, iat= 768, 780, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end # # 102 VAL QG1 103 GLN H 3.29 &rst ixpk= 0, nxpk= 0, iat= -1,1572, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, igr1=1562,1563,1564, &end # # 49 PHE QE 102 VAL QG1 3.26 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, igr1= 739, 743, igr2=1562,1563,1564, &end # # 91 ASN HA 102 VAL QG1 5.50 &rst ixpk= 0, nxpk= 0, iat=1370, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1562,1563,1564, &end # # 102 VAL QG1 104 LEU HA 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1591, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1562,1563,1564, &end # # 87 ILE HG12 102 VAL QG1 3.07 &rst ixpk= 0, nxpk= 0, iat=1315, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, igr2=1562,1563,1564, &end # # 33 ILE QD1 102 VAL QG1 3.94 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr1= 479, 480, 481, igr2=1562,1563,1564, &end # # 58 ALA HA 75 VAL QG1 4.14 &rst ixpk= 0, nxpk= 0, iat= 869, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr2=1149,1150,1151, &end # # 58 ALA HA 59 LYS H 3.05 &rst ixpk= 0, nxpk= 0, iat= 869, 877, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end # # 78 ASP H 79 ASN HA 5.50 &rst ixpk= 0, nxpk= 0, iat=1191,1205, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 77 TYR HB2 79 ASN HA 5.32 &rst ixpk= 0, nxpk= 0, iat=1174,1205, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end # # 79 ASN HA 80 PRO HA 4.62 &rst ixpk= 0, nxpk= 0, iat=1205,1227, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end # # 79 ASN HA 80 PRO HD3 3.09 &rst ixpk= 0, nxpk= 0, iat=1205,1219, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end # # 79 ASN HA 80 PRO HG2 4.66 &rst ixpk= 0, nxpk= 0, iat=1205,1221, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end # # 29 ALA HA 80 PRO HD2 5.50 &rst ixpk= 0, nxpk= 0, iat= 405,1218, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 29 ALA HA 80 PRO HG3 5.50 &rst ixpk= 0, nxpk= 0, iat= 405,1222, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 29 ALA HA 77 TYR QD 5.20 &rst ixpk= 0, nxpk= 0, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr2=1178,1187, &end # # 15 VAL QQG 16 PRO HD2 3.81 &rst ixpk= 0, nxpk= 0, iat= -1, 217, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr1= 206, 207, 208, 210, 211, 212, &end # # 29 ALA HA 83 ALA H 4.81 &rst ixpk= 0, nxpk= 0, iat= 405,1258, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end # # 29 ALA HA 80 PRO HB3 4.62 &rst ixpk= 0, nxpk= 0, iat= 405,1225, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end # # 29 ALA HA 80 PRO HB2 5.03 &rst ixpk= 0, nxpk= 0, iat= 405,1224, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end # # 28 GLY HA2 29 ALA HA 4.82 &rst ixpk= 0, nxpk= 0, iat= 398, 405, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end # # 15 VAL H 16 PRO HD3 5.08 &rst ixpk= 0, nxpk= 0, iat= 200, 218, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end # # 68 LEU QD2 69 SER H 4.59 &rst ixpk= 0, nxpk= 0, iat= -1,1052, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, igr1=1046,1047,1048, &end # # 38 GLN HE22 68 LEU QD2 4.37 &rst ixpk= 0, nxpk= 0, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, igr2=1046,1047,1048, &end # # 68 LEU HA 68 LEU QD2 3.93 &rst ixpk= 0, nxpk= 0, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2=1046,1047,1048, &end # # 50 MET QG 55 VAL QG2 4.51 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, igr1= 756, 757, igr2= 831, 832, 833, &end # # 55 VAL QG2 56 ILE H 4.38 &rst ixpk= 0, nxpk= 0, iat= -1, 837, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, igr1= 831, 832, 833, &end # # 55 VAL H 55 VAL QG2 3.80 &rst ixpk= 0, nxpk= 0, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, igr2= 831, 832, 833, &end # # 55 VAL HA 55 VAL QG2 3.24 &rst ixpk= 0, nxpk= 0, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, igr2= 831, 832, 833, &end # # 55 VAL QG2 75 VAL QG1 3.82 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, igr1= 831, 832, 833, igr2=1149,1150,1151, &end # # 50 MET HA 55 VAL QG2 4.39 &rst ixpk= 0, nxpk= 0, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, igr2= 831, 832, 833, &end # # 112 LYS H 113 PRO HD3 5.09 &rst ixpk= 0, nxpk= 0, iat=1724,1748, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end # # 60 VAL H 60 VAL QG1 3.82 &rst ixpk= 0, nxpk= 0, iat= 899, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, igr2= 905, 906, 907, &end # # 60 VAL HA 60 VAL QG1 3.42 &rst ixpk= 0, nxpk= 0, iat= 901, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr2= 905, 906, 907, &end # # 55 VAL QG1 56 ILE H 4.38 &rst ixpk= 0, nxpk= 0, iat= -1, 837, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, igr1= 827, 828, 829, &end # # 55 VAL H 55 VAL QG1 3.80 &rst ixpk= 0, nxpk= 0, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, igr2= 827, 828, 829, &end # # 50 MET HA 55 VAL QG1 4.39 &rst ixpk= 0, nxpk= 0, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, igr2= 827, 828, 829, &end # # 55 VAL HA 55 VAL QG1 3.24 &rst ixpk= 0, nxpk= 0, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, igr2= 827, 828, 829, &end # # 55 VAL QG1 77 TYR HA 4.76 &rst ixpk= 0, nxpk= 0, iat= -1,1172, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, igr1= 827, 828, 829, &end # # 50 MET QG 55 VAL QG1 4.51 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, igr1= 756, 757, igr2= 827, 828, 829, &end # # 55 VAL QG1 75 VAL QG1 3.82 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, igr1= 827, 828, 829, igr2=1149,1150,1151, &end # # 112 LYS QG 113 PRO HD3 5.15 &rst ixpk= 0, nxpk= 0, iat= -1,1748, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, igr1=1731,1732, &end # # 112 LYS QB 113 PRO HD3 3.74 &rst ixpk= 0, nxpk= 0, iat= -1,1748, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1728,1729, &end # # 112 LYS QB 113 PRO HD2 3.22 &rst ixpk= 0, nxpk= 0, iat= -1,1747, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, igr1=1728,1729, &end # # 112 LYS HA 113 PRO HD2 2.91 &rst ixpk= 0, nxpk= 0, iat=1726,1747, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end # # 112 LYS H 113 PRO HD2 5.18 &rst ixpk= 0, nxpk= 0, iat=1724,1747, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end # # 112 LYS QG 113 PRO HD2 4.23 &rst ixpk= 0, nxpk= 0, iat= -1,1747, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, igr1=1731,1732, &end # # 81 VAL H 81 VAL QG1 3.90 &rst ixpk= 0, nxpk= 0, iat=1231, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, igr2=1237,1238,1239, &end # # 81 VAL QG1 82 SER H 3.63 &rst ixpk= 0, nxpk= 0, iat= -1,1247, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, igr1=1237,1238,1239, &end # # 74 PHE H 75 VAL QG2 3.95 &rst ixpk= 0, nxpk= 0, iat=1123, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, igr2=1153,1154,1155, &end # # 75 VAL QG2 76 SER H 4.40 &rst ixpk= 0, nxpk= 0, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr1=1153,1154,1155, &end # # 49 PHE QD 75 VAL QG2 3.65 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr1= 737, 745, igr2=1153,1154,1155, &end # # 75 VAL H 75 VAL QG2 3.49 &rst ixpk= 0, nxpk= 0, iat=1143, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, igr2=1153,1154,1155, &end # # 49 PHE H 75 VAL QG2 4.86 &rst ixpk= 0, nxpk= 0, iat= 729, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr2=1153,1154,1155, &end # # 49 PHE QE 75 VAL QG2 4.42 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, igr1= 739, 743, igr2=1153,1154,1155, &end # # 58 ALA HA 75 VAL QG2 3.37 &rst ixpk= 0, nxpk= 0, iat= 869, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, igr2=1153,1154,1155, &end # # 75 VAL HA 75 VAL QG2 3.10 &rst ixpk= 0, nxpk= 0, iat=1145, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, igr2=1153,1154,1155, &end # # 46 LEU HA 75 VAL QG2 4.65 &rst ixpk= 0, nxpk= 0, iat= 678, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr2=1153,1154,1155, &end # # 49 PHE HB3 75 VAL QG2 4.20 &rst ixpk= 0, nxpk= 0, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr2=1153,1154,1155, &end # # 49 PHE HB2 75 VAL QG2 3.55 &rst ixpk= 0, nxpk= 0, iat= 733, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, igr2=1153,1154,1155, &end # # 33 ILE HG12 75 VAL QG2 3.44 &rst ixpk= 0, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, igr2=1153,1154,1155, &end # # 45 ILE QG2 75 VAL QG2 2.84 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, igr1= 663, 664, 665, igr2=1153,1154,1155, &end # # 45 ILE QD1 75 VAL QG2 2.85 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr1= 670, 671, 672, igr2=1153,1154,1155, &end # # 102 VAL QG2 103 GLN H 4.87 &rst ixpk= 0, nxpk= 0, iat= -1,1572, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, igr1=1566,1567,1568, &end # # 102 VAL H 102 VAL QG2 3.31 &rst ixpk= 0, nxpk= 0, iat=1556, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, igr2=1566,1567,1568, &end # # 101 LYS HA 102 VAL QG2 3.98 &rst ixpk= 0, nxpk= 0, iat=1536, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, igr2=1566,1567,1568, &end # # 102 VAL HA 102 VAL QG2 3.18 &rst ixpk= 0, nxpk= 0, iat=1558, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, igr2=1566,1567,1568, &end # # 91 ASN HA 102 VAL QG2 3.14 &rst ixpk= 0, nxpk= 0, iat=1370, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2=1566,1567,1568, &end # # 87 ILE HG12 102 VAL QG2 4.81 &rst ixpk= 0, nxpk= 0, iat=1315, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, igr2=1566,1567,1568, &end # # 33 ILE QD1 102 VAL QG2 4.16 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 479, 480, 481, igr2=1566,1567,1568, &end # # 34 TYR H 102 VAL QG2 4.79 &rst ixpk= 0, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, igr2=1566,1567,1568, &end # # 91 ASN H 102 VAL QG2 4.27 &rst ixpk= 0, nxpk= 0, iat=1368, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr2=1566,1567,1568, &end # # 87 ILE HA 102 VAL QG2 4.49 &rst ixpk= 0, nxpk= 0, iat=1307, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr2=1566,1567,1568, &end # # 36 LEU H 37 PRO HD3 5.13 &rst ixpk= 0, nxpk= 0, iat= 524, 545, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end # # 37 PRO HD3 40 PHE QD 5.09 &rst ixpk= 0, nxpk= 0, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, igr2= 597, 605, &end # # 37 PRO HD2 40 PHE QE 5.45 &rst ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62, igr2= 599, 603, &end # # 37 PRO HD2 40 PHE HB3 5.16 &rst ixpk= 0, nxpk= 0, iat= 544, 594, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end # # 89 ALA QB 90 MET H 3.04 &rst ixpk= 0, nxpk= 0, iat= -1,1351, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, igr1=1345,1346,1347, &end # # 87 ILE H 89 ALA QB 5.01 &rst ixpk= 0, nxpk= 0, iat=1305, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, igr2=1345,1346,1347, &end # # 88 GLN H 89 ALA QB 4.39 &rst ixpk= 0, nxpk= 0, iat=1324, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, igr2=1345,1346,1347, &end # # 89 ALA H 89 ALA QB 2.62 &rst ixpk= 0, nxpk= 0, iat=1341, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, igr2=1345,1346,1347, &end # # 52 PHE QE 89 ALA QB 3.01 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, igr1= 790, 794, igr2=1345,1346,1347, &end # # 89 ALA QB 90 MET HA 4.45 &rst ixpk= 0, nxpk= 0, iat= -1,1353, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr1=1345,1346,1347, &end # # 86 ALA HA 89 ALA QB 3.11 &rst ixpk= 0, nxpk= 0, iat=1297, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, igr2=1345,1346,1347, &end # # 85 ALA QB 89 ALA QB 3.76 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, igr1=1289,1290,1291, igr2=1345,1346,1347, &end # # 46 LEU HB3 58 ALA QB 3.99 &rst ixpk= 0, nxpk= 0, iat= 681, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, igr2= 871, 872, 873, &end # # 55 VAL HB 58 ALA QB 4.46 &rst ixpk= 0, nxpk= 0, iat= 825, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, igr2= 871, 872, 873, &end # # 66 THR QG2 67 ASN H 3.63 &rst ixpk= 0, nxpk= 0, iat= -1,1019, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, igr1=1011,1012,1013, &end # # 66 THR H 66 THR QG2 2.86 &rst ixpk= 0, nxpk= 0, iat=1005, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, igr2=1011,1012,1013, &end # # 65 GLN HB2 66 THR QG2 3.03 &rst ixpk= 0, nxpk= 0, iat= 992, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, igr2=1011,1012,1013, &end # # 58 ALA QB 75 VAL QG2 2.88 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, igr1= 871, 872, 873, igr2=1153,1154,1155, &end # # 58 ALA QB 75 VAL QG1 3.13 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, igr1= 871, 872, 873, igr2=1149,1150,1151, &end # # 58 ALA QB 75 VAL HA 3.81 &rst ixpk= 0, nxpk= 0, iat= -1,1145, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr1= 871, 872, 873, &end # # 46 LEU HA 58 ALA QB 3.24 &rst ixpk= 0, nxpk= 0, iat= 678, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, igr2= 871, 872, 873, &end # # 60 VAL H 60 VAL QG2 3.82 &rst ixpk= 0, nxpk= 0, iat= 899, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, igr2= 909, 910, 911, &end # # 60 VAL HA 60 VAL QG2 3.42 &rst ixpk= 0, nxpk= 0, iat= 901, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr2= 909, 910, 911, &end # # 49 PHE QE 75 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= 739, 743, igr2=1149,1150,1151, &end # # 74 PHE QE 75 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=1133,1137, igr2=1149,1150,1151, &end # # 25 GLY H 26 PRO HD2 4.75 &rst ixpk= 0, nxpk= 0, iat= 360, 368, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end # # 26 PRO HD2 29 ALA QB 3.60 &rst ixpk= 0, nxpk= 0, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, igr2= 407, 408, 409, &end # # 26 PRO HD2 78 ASP HA 4.10 &rst ixpk= 0, nxpk= 0, iat= 368,1193, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 26 PRO HD3 78 ASP HA 3.92 &rst ixpk= 0, nxpk= 0, iat= 369,1193, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end # # 25 GLY HA2 26 PRO HD3 3.65 &rst ixpk= 0, nxpk= 0, iat= 362, 369, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end # # 25 GLY HA3 26 PRO HD3 3.70 &rst ixpk= 0, nxpk= 0, iat= 363, 369, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 26 PRO HD3 56 ILE QD1 4.32 &rst ixpk= 0, nxpk= 0, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr2= 850, 851, 852, &end # # 26 PRO HG2 29 ALA QB 3.10 &rst ixpk= 0, nxpk= 0, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, igr2= 407, 408, 409, &end # # 46 LEU HB2 58 ALA QB 3.33 &rst ixpk= 0, nxpk= 0, iat= 680, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr2= 871, 872, 873, &end # # 81 VAL H 81 VAL QG2 3.90 &rst ixpk= 0, nxpk= 0, iat=1231, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, igr2=1241,1242,1243, &end # # 81 VAL QG2 82 SER H 3.63 &rst ixpk= 0, nxpk= 0, iat= -1,1247, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, igr1=1241,1242,1243, &end # # 79 ASN HD22 81 VAL QG2 5.37 &rst ixpk= 0, nxpk= 0, iat=1212, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95, igr2=1241,1242,1243, &end # # 75 VAL QG1 76 SER H 3.16 &rst ixpk= 0, nxpk= 0, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, igr1=1149,1150,1151, &end # # 49 PHE QD 75 VAL QG1 4.05 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, igr1= 737, 745, igr2=1149,1150,1151, &end # # 75 VAL H 75 VAL QG1 3.99 &rst ixpk= 0, nxpk= 0, iat=1143, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, igr2=1149,1150,1151, &end # # 75 VAL HA 75 VAL QG1 3.23 &rst ixpk= 0, nxpk= 0, iat=1145, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, igr2=1149,1150,1151, &end # # 46 LEU HA 75 VAL QG1 4.18 &rst ixpk= 0, nxpk= 0, iat= 678, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, igr2=1149,1150,1151, &end # # 55 VAL HA 75 VAL QG1 4.55 &rst ixpk= 0, nxpk= 0, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, igr2=1149,1150,1151, &end # # 49 PHE HB3 75 VAL QG1 3.44 &rst ixpk= 0, nxpk= 0, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, igr2=1149,1150,1151, &end # # 49 PHE HB2 75 VAL QG1 3.57 &rst ixpk= 0, nxpk= 0, iat= 733, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, igr2=1149,1150,1151, &end # # 49 PHE H 75 VAL QG1 4.81 &rst ixpk= 0, nxpk= 0, iat= 729, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, igr2=1149,1150,1151, &end # # 26 PRO HD2 77 TYR HB2 5.43 &rst ixpk= 0, nxpk= 0, iat= 368,1174, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end # # 26 PRO HD2 56 ILE QD1 4.48 &rst ixpk= 0, nxpk= 0, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr2= 850, 851, 852, &end # # 25 GLY H 26 PRO HD3 5.29 &rst ixpk= 0, nxpk= 0, iat= 360, 369, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end # # 26 PRO HD3 29 ALA QB 3.72 &rst ixpk= 0, nxpk= 0, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr2= 407, 408, 409, &end # # 15 VAL QQG 16 PRO HD3 3.81 &rst ixpk= 0, nxpk= 0, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr1= 206, 207, 208, 210, 211, 212, &end # # 75 VAL QG1 76 SER HA 4.29 &rst ixpk= 0, nxpk= 0, iat= -1,1161, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, igr1=1149,1150,1151, &end # # 29 ALA H 29 ALA QB 2.87 &rst ixpk= 0, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, igr2= 407, 408, 409, &end # # 29 ALA QB 30 ASN H 3.73 &rst ixpk= 0, nxpk= 0, iat= -1, 413, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, igr1= 407, 408, 409, &end # # 29 ALA QB 79 ASN H 3.51 &rst ixpk= 0, nxpk= 0, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, igr1= 407, 408, 409, &end # # 29 ALA QB 77 TYR QD 4.55 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63, igr1= 407, 408, 409, igr2=1178,1187, &end # # 29 ALA QB 79 ASN HA 3.97 &rst ixpk= 0, nxpk= 0, iat= -1,1205, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr1= 407, 408, 409, &end # # 25 GLY HA3 29 ALA QB 3.23 &rst ixpk= 0, nxpk= 0, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, igr2= 407, 408, 409, &end # # 29 ALA QB 77 TYR HB3 3.93 &rst ixpk= 0, nxpk= 0, iat= -1,1175, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 407, 408, 409, &end # # 29 ALA QB 30 ASN HA 4.30 &rst ixpk= 0, nxpk= 0, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr1= 407, 408, 409, &end # # 33 ILE QG2 34 TYR QD 5.20 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51, igr1= 472, 473, 474, igr2= 493, 502, &end # # 33 ILE QG2 100 LEU HA 5.13 &rst ixpk= 0, nxpk= 0, iat= -1,1517, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, igr1= 472, 473, 474, &end # # 33 ILE QG2 34 TYR H 3.35 &rst ixpk= 0, nxpk= 0, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, igr1= 472, 473, 474, &end # # 33 ILE H 33 ILE QG2 4.05 &rst ixpk= 0, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, igr2= 472, 473, 474, &end # # 33 ILE QG2 101 LYS H 4.70 &rst ixpk= 0, nxpk= 0, iat= -1,1534, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, igr1= 472, 473, 474, &end # # 33 ILE QG2 49 PHE QD 4.89 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09, igr1= 472, 473, 474, igr2= 737, 745, &end # # 32 PHE HA 33 ILE QG2 5.50 &rst ixpk= 0, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 472, 473, 474, &end # # 33 ILE HA 33 ILE QG2 3.06 &rst ixpk= 0, nxpk= 0, iat= 468, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, igr2= 472, 473, 474, &end # # 33 ILE QG2 33 ILE HG12 2.96 &rst ixpk= 0, nxpk= 0, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, igr1= 472, 473, 474, &end # # 33 ILE QG2 102 VAL QG2 3.17 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, igr1= 472, 473, 474, igr2=1566,1567,1568, &end # # 33 ILE QG2 36 LEU QD1 3.04 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, igr1= 472, 473, 474, igr2= 533, 534, 535, &end # # 33 ILE QG2 33 ILE QD1 3.27 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 472, 473, 474, igr2= 479, 480, 481, &end # # 33 ILE QG2 45 ILE HG13 3.54 &rst ixpk= 0, nxpk= 0, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, igr1= 472, 473, 474, &end # # 33 ILE QG2 34 TYR HB3 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 472, 473, 474, &end # # 34 TYR H 34 TYR QD 3.65 &rst ixpk= 0, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, igr2= 493, 502, &end # # 34 TYR QD 35 HIP H 4.14 &rst ixpk= 0, nxpk= 0, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr1= 493, 502, &end # # 34 TYR QD 35 HIP HD2 4.85 &rst ixpk= 0, nxpk= 0, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, igr1= 493, 502, &end # # 34 TYR QD 72 PHE QD 3.85 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr1= 493, 502, igr2=1104,1112, &end # # 34 TYR QD 72 PHE HA 4.46 &rst ixpk= 0, nxpk= 0, iat= -1,1098, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, igr1= 493, 502, &end # # 34 TYR HA 34 TYR QD 3.27 &rst ixpk= 0, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, igr2= 493, 502, &end # # 34 TYR QD 73 GLY H 4.60 &rst ixpk= 0, nxpk= 0, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr1= 493, 502, &end # # 72 PHE H 72 PHE QD 3.89 &rst ixpk= 0, nxpk= 0, iat=1096, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, igr2=1104,1112, &end # # 70 LYS HA 72 PHE QD 4.83 &rst ixpk= 0, nxpk= 0, iat=1065, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, igr2=1104,1112, &end # # 46 LEU HA 49 PHE QD 4.84 &rst ixpk= 0, nxpk= 0, iat= 678, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr2= 737, 745, &end # # 45 ILE HA 49 PHE QD 3.76 &rst ixpk= 0, nxpk= 0, iat= 659, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, igr2= 737, 745, &end # # 48 MET HB3 49 PHE QD 3.85 &rst ixpk= 0, nxpk= 0, iat= 717, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, igr2= 737, 745, &end # # 72 PHE QD 73 GLY H 3.70 &rst ixpk= 0, nxpk= 0, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, igr1=1104,1112, &end # # 33 ILE H 72 PHE QD 4.63 &rst ixpk= 0, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, igr2=1104,1112, &end # # 34 TYR HA 72 PHE QD 4.38 &rst ixpk= 0, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr2=1104,1112, &end # # 70 LYS HB3 72 PHE QD 4.07 &rst ixpk= 0, nxpk= 0, iat=1068, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, igr2=1104,1112, &end # # 70 LYS HB2 72 PHE QD 4.07 &rst ixpk= 0, nxpk= 0, iat=1067, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, igr2=1104,1112, &end # # 72 PHE QD 73 GLY HA2 4.45 &rst ixpk= 0, nxpk= 0, iat= -1,1118, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, igr1=1104,1112, &end # # 49 PHE H 49 PHE QD 3.10 &rst ixpk= 0, nxpk= 0, iat= 729, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, igr2= 737, 745, &end # # 49 PHE QD 86 ALA QB 2.96 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, igr1= 737, 745, igr2=1299,1300,1301, &end # # 54 ASN H 77 TYR QD 3.71 &rst ixpk= 0, nxpk= 0, iat= 807, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, igr2=1178,1187, &end # # 77 TYR QD 82 SER HB3 3.77 &rst ixpk= 0, nxpk= 0, iat= -1,1252, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, igr1=1178,1187, &end # # 77 TYR QD 82 SER HB2 3.77 &rst ixpk= 0, nxpk= 0, iat= -1,1251, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, igr1=1178,1187, &end # # 77 TYR QD 78 ASP H 3.60 &rst ixpk= 0, nxpk= 0, iat= -1,1191, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, igr1=1178,1187, &end # # 77 TYR QD 83 ALA H 4.44 &rst ixpk= 0, nxpk= 0, iat= -1,1258, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, igr1=1178,1187, &end # # 77 TYR HA 77 TYR QD 3.40 &rst ixpk= 0, nxpk= 0, iat=1172, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, igr2=1178,1187, &end # # 53 GLY HA3 77 TYR QD 4.05 &rst ixpk= 0, nxpk= 0, iat= 803, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, igr2=1178,1187, &end # # 55 VAL HA 77 TYR QD 3.65 &rst ixpk= 0, nxpk= 0, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, igr2=1178,1187, &end # # 77 TYR QD 83 ALA HA 3.77 &rst ixpk= 0, nxpk= 0, iat= -1,1260, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, igr1=1178,1187, &end # # 77 TYR QD 83 ALA QB 3.06 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, igr1=1178,1187, igr2=1262,1263,1264, &end # # 49 PHE HB3 52 PHE QE 5.41 &rst ixpk= 0, nxpk= 0, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2= 790, 794, &end # # 51 PRO HD2 52 PHE QE 5.50 &rst ixpk= 0, nxpk= 0, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 790, 794, &end # # 93 PHE QD 95 ILE H 4.91 &rst ixpk= 0, nxpk= 0, iat= -1,1426, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, igr1=1397,1405, &end # # 93 PHE HA 93 PHE QD 3.28 &rst ixpk= 0, nxpk= 0, iat=1391, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, igr2=1397,1405, &end # # 93 PHE QD 95 ILE HB 4.02 &rst ixpk= 0, nxpk= 0, iat= -1,1430, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, igr1=1397,1405, &end # # 90 MET QE 93 PHE QD 3.31 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, igr1=1362,1363,1364, igr2=1397,1405, &end # # 93 PHE QD 100 LEU QD2 4.30 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr1=1397,1405, igr2=1528,1529,1530, &end # # 56 ILE H 77 TYR QD 5.09 &rst ixpk= 0, nxpk= 0, iat= 837, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, igr2=1178,1187, &end # # 75 VAL QG1 77 TYR QD 3.87 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr1=1149,1150,1151, igr2=1178,1187, &end # # 76 SER HA 77 TYR QD 4.41 &rst ixpk= 0, nxpk= 0, iat=1161, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr2=1178,1187, &end # # 40 PHE HA 40 PHE QE 4.58 &rst ixpk= 0, nxpk= 0, iat= 591, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr2= 599, 603, &end # # 40 PHE QE 45 ILE HA 3.99 &rst ixpk= 0, nxpk= 0, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, igr1= 599, 603, &end # # 39 GLU QG 40 PHE QE 4.09 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, igr1= 581, 582, igr2= 599, 603, &end # # 40 PHE QE 48 MET QE 4.17 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, igr1= 599, 603, igr2= 723, 724, 725, &end # # 36 LEU HA 40 PHE QE 5.24 &rst ixpk= 0, nxpk= 0, iat= 526, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr2= 599, 603, &end # # 51 PRO HB2 52 PHE QE 4.84 &rst ixpk= 0, nxpk= 0, iat= 773, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr2= 790, 794, &end # # 93 PHE QD 100 LEU HG 3.46 &rst ixpk= 0, nxpk= 0, iat= -1,1522, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, igr1=1397,1405, &end # # 74 PHE HA 74 PHE QD 3.73 &rst ixpk= 0, nxpk= 0, iat=1125, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, igr2=1131,1139, &end # # 32 PHE HA 74 PHE QD 4.13 &rst ixpk= 0, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, igr2=1131,1139, &end # # 52 PHE QE 89 ALA H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1341, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 790, 794, &end # # 52 PHE HA 52 PHE QE 4.36 &rst ixpk= 0, nxpk= 0, iat= 782, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, igr2= 790, 794, &end # # 52 PHE QE 86 ALA HA 4.39 &rst ixpk= 0, nxpk= 0, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, igr1= 790, 794, &end # # 74 PHE QD 105 LYS QD 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1131,1139, igr2=1618,1619, &end # # 61 PHE H 61 PHE QD 3.93 &rst ixpk= 0, nxpk= 0, iat= 915, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr2= 923, 931, &end # # 61 PHE HA 61 PHE QD 3.38 &rst ixpk= 0, nxpk= 0, iat= 917, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, igr2= 923, 931, &end # # 93 PHE QE 95 ILE H 5.17 &rst ixpk= 0, nxpk= 0, iat= -1,1426, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr1=1399,1403, &end # # 48 MET QE 93 PHE QE 3.96 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr1= 723, 724, 725, igr2=1399,1403, &end # # 90 MET HA 93 PHE QE 5.50 &rst ixpk= 0, nxpk= 0, iat=1353, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1399,1403, &end # # 32 PHE QD 103 GLN H 4.71 &rst ixpk= 0, nxpk= 0, iat= -1,1572, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, igr1= 454, 462, &end # # 93 PHE QE 95 ILE HG13 3.63 &rst ixpk= 0, nxpk= 0, iat= -1,1437, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, igr1=1399,1403, &end # # 93 PHE QE 95 ILE HA 4.53 &rst ixpk= 0, nxpk= 0, iat= -1,1428, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr1=1399,1403, &end # # 32 PHE HA 32 PHE QD 3.62 &rst ixpk= 0, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, igr2= 454, 462, &end # # 32 PHE QD 105 LYS HA 4.15 &rst ixpk= 0, nxpk= 0, iat= -1,1610, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr1= 454, 462, &end # # 32 PHE QD 74 PHE HA 4.62 &rst ixpk= 0, nxpk= 0, iat= -1,1125, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr1= 454, 462, &end # # 34 TYR QE 72 PHE QE 4.86 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62, igr1= 495, 500, igr2=1106,1110, &end # # 52 PHE QD 89 ALA QB 4.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr1= 788, 796, igr2=1345,1346,1347, &end # # 32 PHE H 32 PHE QD 4.30 &rst ixpk= 0, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr2= 454, 462, &end # # 32 PHE QD 33 ILE H 4.03 &rst ixpk= 0, nxpk= 0, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, igr1= 454, 462, &end # # 32 PHE QD 34 TYR QE 4.27 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr1= 454, 462, igr2= 495, 500, &end # # 32 PHE QD 103 GLN QB 4.47 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, igr1= 454, 462, igr2=1576,1577, &end # # 70 LYS HB3 72 PHE QE 4.01 &rst ixpk= 0, nxpk= 0, iat=1068, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr2=1106,1110, &end # # 72 PHE QE 73 GLY HA2 5.07 &rst ixpk= 0, nxpk= 0, iat= -1,1118, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, igr1=1106,1110, &end # # 70 LYS HB2 72 PHE QE 4.01 &rst ixpk= 0, nxpk= 0, iat=1067, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr2=1106,1110, &end # # 70 LYS QG 72 PHE QE 4.24 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr1=1070,1071, igr2=1106,1110, &end # # 52 PHE H 52 PHE QD 3.34 &rst ixpk= 0, nxpk= 0, iat= 780, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, igr2= 788, 796, &end # # 52 PHE HA 52 PHE QD 3.21 &rst ixpk= 0, nxpk= 0, iat= 782, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr2= 788, 796, &end # # 49 PHE HB3 52 PHE QD 4.00 &rst ixpk= 0, nxpk= 0, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr2= 788, 796, &end # # 52 PHE QD 86 ALA HA 4.42 &rst ixpk= 0, nxpk= 0, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, igr1= 788, 796, &end # # 51 PRO HB2 52 PHE QD 4.71 &rst ixpk= 0, nxpk= 0, iat= 773, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, igr2= 788, 796, &end # # 61 PHE H 72 PHE QE 5.01 &rst ixpk= 0, nxpk= 0, iat= 915, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, igr2=1106,1110, &end # # 52 PHE QD 53 GLY H 4.65 &rst ixpk= 0, nxpk= 0, iat= -1, 800, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr1= 788, 796, &end # # 49 PHE QD 52 PHE QD 4.17 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, igr1= 737, 745, igr2= 788, 796, &end # # 51 PRO HG2 52 PHE QD 3.58 &rst ixpk= 0, nxpk= 0, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, igr2= 788, 796, &end # # 52 PHE QD 86 ALA QB 3.44 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, igr1= 788, 796, igr2=1299,1300,1301, &end # # 32 PHE HA 32 PHE QE 4.60 &rst ixpk= 0, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr2= 456, 460, &end # # 61 PHE QE 73 GLY HA2 4.25 &rst ixpk= 0, nxpk= 0, iat= -1,1118, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr1= 925, 929, &end # # 74 PHE QE 105 LYS QE 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1133,1137, igr2=1621,1622, &end # # 40 PHE HZ 48 MET QE 4.00 &rst ixpk= 0, nxpk= 0, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr2= 723, 724, 725, &end # # 40 PHE HZ 95 ILE QD1 3.68 &rst ixpk= 0, nxpk= 0, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, igr2=1439,1440,1441, &end # # 52 PHE HZ 86 ALA HA 5.41 &rst ixpk= 0, nxpk= 0, iat= 792,1297, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end # # 49 PHE H 49 PHE QE 5.00 &rst ixpk= 0, nxpk= 0, iat= 729, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2= 739, 743, &end # # 49 PHE QE 86 ALA QB 3.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, igr1= 739, 743, igr2=1299,1300,1301, &end # # 33 ILE QG2 49 PHE QE 3.28 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, igr1= 472, 473, 474, igr2= 739, 743, &end # # 33 ILE QD1 49 PHE QE 4.23 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr1= 479, 480, 481, igr2= 739, 743, &end # # 49 PHE QE 87 ILE H 5.11 &rst ixpk= 0, nxpk= 0, iat= -1,1305, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, igr1= 739, 743, &end # # 52 PHE HZ 89 ALA HA 5.36 &rst ixpk= 0, nxpk= 0, iat= 792,1343, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end # # 52 PHE HZ 89 ALA QB 3.25 &rst ixpk= 0, nxpk= 0, iat= 792, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, igr2=1345,1346,1347, &end # # 45 ILE HA 49 PHE QE 4.60 &rst ixpk= 0, nxpk= 0, iat= 659, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr2= 739, 743, &end # # 37 PRO QG 40 PHE QD 3.65 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, igr1= 547, 548, igr2= 597, 605, &end # # 39 GLU H 40 PHE QD 4.40 &rst ixpk= 0, nxpk= 0, iat= 574, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, igr2= 597, 605, &end # # 36 LEU HA 40 PHE QD 5.12 &rst ixpk= 0, nxpk= 0, iat= 526, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, igr2= 597, 605, &end # # 93 PHE HZ 95 ILE QD1 5.00 &rst ixpk= 0, nxpk= 0, iat=1401, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2=1439,1440,1441, &end # # 48 MET QE 93 PHE HZ 4.47 &rst ixpk= 0, nxpk= 0, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr1= 723, 724, 725, &end # # 40 PHE H 40 PHE QD 3.21 &rst ixpk= 0, nxpk= 0, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr2= 597, 605, &end # # 40 PHE HA 40 PHE QD 3.23 &rst ixpk= 0, nxpk= 0, iat= 591, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, igr2= 597, 605, &end # # 40 PHE QD 45 ILE HA 4.73 &rst ixpk= 0, nxpk= 0, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, igr1= 597, 605, &end # # 39 GLU QG 40 PHE QD 3.08 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, igr1= 581, 582, igr2= 597, 605, &end # # 37 PRO QB 40 PHE QD 4.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr1= 550, 551, igr2= 597, 605, &end # # 32 PHE HZ 105 LYS HA 4.67 &rst ixpk= 0, nxpk= 0, iat= 458,1610, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end # # 61 PHE HB2 72 PHE HZ 4.92 &rst ixpk= 0, nxpk= 0, iat= 919,1108, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end # # 24 GLU HA 74 PHE HZ 4.66 &rst ixpk= 0, nxpk= 0, iat= 347,1135, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end # # 24 GLU HB3 74 PHE HZ 4.43 &rst ixpk= 0, nxpk= 0, iat= 350,1135, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end # # 61 PHE HB3 72 PHE HZ 4.92 &rst ixpk= 0, nxpk= 0, iat= 920,1108, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end # # 30 ASN HA 74 PHE HZ 5.50 &rst ixpk= 0, nxpk= 0, iat= 415,1135, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 74 PHE HZ 76 SER HA 5.50 &rst ixpk= 0, nxpk= 0, iat=1135,1161, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 74 PHE HZ 76 SER HB3 4.79 &rst ixpk= 0, nxpk= 0, iat=1135,1164, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end # # 74 PHE HZ 76 SER HB2 4.79 &rst ixpk= 0, nxpk= 0, iat=1135,1163, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end # # 25 GLY H 74 PHE HZ 5.50 &rst ixpk= 0, nxpk= 0, iat= 360,1135, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 24 GLU HB2 74 PHE HZ 5.50 &rst ixpk= 0, nxpk= 0, iat= 349,1135, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 49 PHE HZ 90 MET HB2 3.95 &rst ixpk= 0, nxpk= 0, iat= 741,1355, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end # # 49 PHE HZ 90 MET HB3 3.95 &rst ixpk= 0, nxpk= 0, iat= 741,1356, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end # # 49 PHE HZ 102 VAL QG2 3.24 &rst ixpk= 0, nxpk= 0, iat= 741, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, igr2=1566,1567,1568, &end # # 33 ILE QG2 49 PHE HZ 3.37 &rst ixpk= 0, nxpk= 0, iat= -1, 741, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, igr1= 472, 473, 474, &end # # 33 ILE HG13 49 PHE HZ 3.77 &rst ixpk= 0, nxpk= 0, iat= 477, 741, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end # # 33 ILE QD1 49 PHE HZ 4.49 &rst ixpk= 0, nxpk= 0, iat= -1, 741, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr1= 479, 480, 481, &end # # 49 PHE HZ 90 MET QE 4.19 &rst ixpk= 0, nxpk= 0, iat= 741, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr2=1362,1363,1364, &end # # 114 TRP HA 114 TRP HE3 4.72 &rst ixpk= 0, nxpk= 0, iat=1762,1779, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end # # 35 HIP H 35 HIP HD2 4.40 &rst ixpk= 0, nxpk= 0, iat= 506, 520, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 35 HIP HD2 101 LYS H 4.25 &rst ixpk= 0, nxpk= 0, iat= 520,1534, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end # # 34 TYR HB2 35 HIP HD2 4.13 &rst ixpk= 0, nxpk= 0, iat= 489, 520, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end # # 35 HIP HA 35 HIP HD2 3.44 &rst ixpk= 0, nxpk= 0, iat= 508, 520, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end # # 34 TYR HB3 35 HIP HD2 4.22 &rst ixpk= 0, nxpk= 0, iat= 490, 520, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end # # 49 PHE QD 77 TYR QE 3.98 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, igr1= 737, 745, igr2=1180,1185, &end # # 53 GLY H 77 TYR QE 3.52 &rst ixpk= 0, nxpk= 0, iat= 800, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, igr2=1180,1185, &end # # 54 ASN H 77 TYR QE 4.19 &rst ixpk= 0, nxpk= 0, iat= 807, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, igr2=1180,1185, &end # # 53 GLY HA3 77 TYR QE 4.23 &rst ixpk= 0, nxpk= 0, iat= 803, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, igr2=1180,1185, &end # # 77 TYR QE 83 ALA HA 3.46 &rst ixpk= 0, nxpk= 0, iat= -1,1260, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, igr1=1180,1185, &end # # 49 PHE HB3 77 TYR QE 4.43 &rst ixpk= 0, nxpk= 0, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr2=1180,1185, &end # # 77 TYR QE 86 ALA QB 3.02 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, igr1=1180,1185, igr2=1299,1300,1301, &end # # 31 LEU QD2 77 TYR QE 4.25 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, igr1= 440, 441, 442, igr2=1180,1185, &end # # 75 VAL QG1 77 TYR QE 3.22 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, igr1=1149,1150,1151, igr2=1180,1185, &end # # 52 PHE HB3 77 TYR QE 3.88 &rst ixpk= 0, nxpk= 0, iat= 785, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, igr2=1180,1185, &end # # 52 PHE QD 77 TYR QE 4.37 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, igr1= 788, 796, igr2=1180,1185, &end # # 77 TYR QE 86 ALA HA 5.49 &rst ixpk= 0, nxpk= 0, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, igr1=1180,1185, &end # # 34 TYR H 34 TYR QE 5.14 &rst ixpk= 0, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, igr2= 495, 500, &end # # 32 PHE QB 34 TYR QE 4.09 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, igr1= 450, 451, igr2= 495, 500, &end # # 34 TYR QE 101 LYS HD2 4.56 &rst ixpk= 0, nxpk= 0, iat= -1,1544, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, igr1= 495, 500, &end # # 34 TYR QE 72 PHE QD 4.03 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr1= 495, 500, igr2=1104,1112, &end # # 32 PHE HA 34 TYR QE 4.93 &rst ixpk= 0, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr2= 495, 500, &end # # 34 TYR QE 103 GLN QB 4.20 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, igr1= 495, 500, igr2=1576,1577, &end # # 34 TYR QE 101 LYS HD3 4.56 &rst ixpk= 0, nxpk= 0, iat= -1,1545, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, igr1= 495, 500, &end # # 34 TYR QE 102 VAL HA 5.39 &rst ixpk= 0, nxpk= 0, iat= -1,1558, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, igr1= 495, 500, &end # # 34 TYR HA 73 GLY H 4.63 &rst ixpk= 0, nxpk= 0, iat= 487,1116, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end # # 33 ILE H 73 GLY H 4.01 &rst ixpk= 0, nxpk= 0, iat= 466,1116, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end # # 72 PHE HB3 73 GLY H 4.39 &rst ixpk= 0, nxpk= 0, iat=1101,1116, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end # # 33 ILE QG2 73 GLY H 4.48 &rst ixpk= 0, nxpk= 0, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr1= 472, 473, 474, &end # # 33 ILE QD1 73 GLY H 5.17 &rst ixpk= 0, nxpk= 0, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71, igr1= 479, 480, 481, &end # # 66 THR H 67 ASN HB2 4.86 &rst ixpk= 0, nxpk= 0, iat=1005,1023, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end # # 66 THR H 67 ASN H 3.00 &rst ixpk= 0, nxpk= 0, iat=1005,1019, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end # # 65 GLN HB2 66 THR H 3.49 &rst ixpk= 0, nxpk= 0, iat= 992,1005, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end # # 62 ILE QG2 66 THR H 5.39 &rst ixpk= 0, nxpk= 0, iat= -1,1005, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, igr1= 941, 942, 943, &end # # 93 PHE QD 94 GLN H 4.11 &rst ixpk= 0, nxpk= 0, iat= -1,1409, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, igr1=1397,1405, &end # # 94 GLN H 95 ILE H 4.60 &rst ixpk= 0, nxpk= 0, iat=1409,1426, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 93 PHE H 94 GLN H 4.55 &rst ixpk= 0, nxpk= 0, iat=1389,1409, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end # # 93 PHE HA 94 GLN H 2.76 &rst ixpk= 0, nxpk= 0, iat=1391,1409, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26, &end # # 93 PHE HB2 94 GLN H 4.57 &rst ixpk= 0, nxpk= 0, iat=1393,1409, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end # # 93 PHE HB3 94 GLN H 4.58 &rst ixpk= 0, nxpk= 0, iat=1394,1409, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end # # 94 GLN H 94 GLN HB2 3.21 &rst ixpk= 0, nxpk= 0, iat=1409,1413, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end # # 94 GLN H 94 GLN HB3 3.21 &rst ixpk= 0, nxpk= 0, iat=1409,1414, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end # # 94 GLN H 99 ARG HG2 4.94 &rst ixpk= 0, nxpk= 0, iat=1409,1498, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end # # 55 VAL H 56 ILE H 4.53 &rst ixpk= 0, nxpk= 0, iat= 821, 837, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end # # 55 VAL H 77 TYR HA 5.03 &rst ixpk= 0, nxpk= 0, iat= 821,1172, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end # # 53 GLY H 54 ASN H 4.41 &rst ixpk= 0, nxpk= 0, iat= 800, 807, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end # # 53 GLY H 77 TYR QD 5.18 &rst ixpk= 0, nxpk= 0, iat= 800, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, igr2=1178,1187, &end # # 52 PHE H 53 GLY H 2.95 &rst ixpk= 0, nxpk= 0, iat= 780, 800, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end # # 51 PRO HA 53 GLY H 4.59 &rst ixpk= 0, nxpk= 0, iat= 776, 800, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end # # 52 PHE HB2 53 GLY H 3.72 &rst ixpk= 0, nxpk= 0, iat= 784, 800, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end # # 52 PHE HB3 53 GLY H 4.41 &rst ixpk= 0, nxpk= 0, iat= 785, 800, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end # # 51 PRO HG2 53 GLY H 5.50 &rst ixpk= 0, nxpk= 0, iat= 770, 800, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 55 VAL H 77 TYR QD 4.93 &rst ixpk= 0, nxpk= 0, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr2=1178,1187, &end # # 55 VAL H 77 TYR QE 5.13 &rst ixpk= 0, nxpk= 0, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, igr2=1180,1185, &end # # 55 VAL H 55 VAL HB 3.23 &rst ixpk= 0, nxpk= 0, iat= 821, 825, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end # # 53 GLY H 86 ALA QB 5.35 &rst ixpk= 0, nxpk= 0, iat= 800, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93, igr2=1299,1300,1301, &end # # 64 LYS H 65 GLN HB2 5.35 &rst ixpk= 0, nxpk= 0, iat= 966, 992, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end # # 64 LYS H 65 GLN H 3.12 &rst ixpk= 0, nxpk= 0, iat= 966, 988, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end # # 64 LYS H 66 THR H 4.65 &rst ixpk= 0, nxpk= 0, iat= 966,1005, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end # # 63 ASP HA 64 LYS H 2.91 &rst ixpk= 0, nxpk= 0, iat= 956, 966, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end # # 64 LYS H 65 GLN HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 966, 990, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 64 LYS H 67 ASN HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 966,1021, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 64 LYS H 70 LYS QE 4.96 &rst ixpk= 0, nxpk= 0, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr2=1076,1077, &end # # 63 ASP HB2 64 LYS H 4.37 &rst ixpk= 0, nxpk= 0, iat= 958, 966, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end # # 64 LYS H 64 LYS QB 2.80 &rst ixpk= 0, nxpk= 0, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr2= 970, 971, &end # # 64 LYS H 64 LYS QD 3.84 &rst ixpk= 0, nxpk= 0, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, igr2= 976, 977, &end # # 64 LYS H 64 LYS QG 3.32 &rst ixpk= 0, nxpk= 0, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, igr2= 973, 974, &end # # 62 ILE QG2 64 LYS H 4.85 &rst ixpk= 0, nxpk= 0, iat= -1, 966, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, igr1= 941, 942, 943, &end # # 106 ARG H 106 ARG HE 5.50 &rst ixpk= 0, nxpk= 0, iat=1630,1643, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 56 ILE H 75 VAL QG1 4.86 &rst ixpk= 0, nxpk= 0, iat= 837, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr2=1149,1150,1151, &end # # 49 PHE H 50 MET H 3.01 &rst ixpk= 0, nxpk= 0, iat= 729, 749, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end # # 48 MET H 50 MET H 4.17 &rst ixpk= 0, nxpk= 0, iat= 712, 749, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end # # 47 GLN HA 50 MET H 3.99 &rst ixpk= 0, nxpk= 0, iat= 697, 749, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end # # 48 MET HA 50 MET H 4.53 &rst ixpk= 0, nxpk= 0, iat= 714, 749, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end # # 46 LEU HA 50 MET H 4.74 &rst ixpk= 0, nxpk= 0, iat= 678, 749, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end # # 50 MET H 51 PRO HD2 3.39 &rst ixpk= 0, nxpk= 0, iat= 749, 767, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end # # 50 MET H 55 VAL QG1 5.50 &rst ixpk= 0, nxpk= 0, iat= 749, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 827, 828, 829, &end # # 50 MET H 55 VAL QG2 5.50 &rst ixpk= 0, nxpk= 0, iat= 749, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 831, 832, 833, &end # # 63 ASP HB3 64 LYS H 4.37 &rst ixpk= 0, nxpk= 0, iat= 959, 966, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end # # 56 ILE H 77 TYR HA 3.77 &rst ixpk= 0, nxpk= 0, iat= 837,1172, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end # # 61 PHE H 73 GLY HA2 4.81 &rst ixpk= 0, nxpk= 0, iat= 915,1118, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end # # 60 VAL H 61 PHE H 5.50 &rst ixpk= 0, nxpk= 0, iat= 899, 915, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 60 VAL HA 61 PHE H 3.54 &rst ixpk= 0, nxpk= 0, iat= 901, 915, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 63 ASP H 64 LYS H 5.32 &rst ixpk= 0, nxpk= 0, iat= 954, 966, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end # # 95 ILE H 96 GLY H 4.46 &rst ixpk= 0, nxpk= 0, iat=1426,1445, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end # # 95 ILE H 98 LYS H 3.59 &rst ixpk= 0, nxpk= 0, iat=1426,1469, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end # # 95 ILE H 95 ILE HB 3.56 &rst ixpk= 0, nxpk= 0, iat=1426,1430, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end # # 95 ILE H 99 ARG HG2 4.62 &rst ixpk= 0, nxpk= 0, iat=1426,1498, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end # # 95 ILE H 100 LEU H 4.30 &rst ixpk= 0, nxpk= 0, iat=1426,1515, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end # # 94 GLN HB2 95 ILE H 4.79 &rst ixpk= 0, nxpk= 0, iat=1413,1426, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end # # 95 ILE H 98 LYS QB 5.26 &rst ixpk= 0, nxpk= 0, iat=1426, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, igr2=1473,1474, &end # # 38 GLN H 40 PHE H 5.30 &rst ixpk= 0, nxpk= 0, iat= 557, 589, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 37 PRO HA 38 GLN H 3.20 &rst ixpk= 0, nxpk= 0, iat= 553, 557, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end # # 38 GLN H 38 GLN HG2 4.70 &rst ixpk= 0, nxpk= 0, iat= 557, 564, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 38 GLN H 39 GLU QG 3.78 &rst ixpk= 0, nxpk= 0, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr2= 581, 582, &end # # 63 ASP H 70 LYS H 4.49 &rst ixpk= 0, nxpk= 0, iat= 954,1063, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end # # 62 ILE HA 63 ASP H 3.11 &rst ixpk= 0, nxpk= 0, iat= 937, 954, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end # # 63 ASP H 67 ASN HA 4.87 &rst ixpk= 0, nxpk= 0, iat= 954,1021, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end # # 63 ASP H 63 ASP HB3 3.47 &rst ixpk= 0, nxpk= 0, iat= 954, 959, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end # # 63 ASP H 63 ASP HB2 3.47 &rst ixpk= 0, nxpk= 0, iat= 954, 958, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end # # 63 ASP H 70 LYS QG 3.85 &rst ixpk= 0, nxpk= 0, iat= 954, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, igr2=1070,1071, &end # # 92 GLY H 102 VAL H 4.18 &rst ixpk= 0, nxpk= 0, iat=1382,1556, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end # # 101 LYS HA 102 VAL H 2.98 &rst ixpk= 0, nxpk= 0, iat=1536,1556, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end # # 91 ASN HB2 102 VAL H 4.24 &rst ixpk= 0, nxpk= 0, iat=1372,1556, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end # # 102 VAL H 102 VAL HB 3.72 &rst ixpk= 0, nxpk= 0, iat=1556,1560, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end # # 102 VAL H 102 VAL QG1 4.10 &rst ixpk= 0, nxpk= 0, iat=1556, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr2=1562,1563,1564, &end # # 57 SER HA 58 ALA H 2.79 &rst ixpk= 0, nxpk= 0, iat= 858, 867, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29, &end # # 58 ALA H 58 ALA QB 3.29 &rst ixpk= 0, nxpk= 0, iat= 867, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, igr2= 871, 872, 873, &end # # 58 ALA H 75 VAL QG2 5.50 &rst ixpk= 0, nxpk= 0, iat= 867, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1153,1154,1155, &end # # 58 ALA H 75 VAL QG1 5.50 &rst ixpk= 0, nxpk= 0, iat= 867, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1149,1150,1151, &end # # 58 ALA H 75 VAL HA 4.88 &rst ixpk= 0, nxpk= 0, iat= 867,1145, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end # # 69 SER HA 70 LYS H 3.41 &rst ixpk= 0, nxpk= 0, iat=1054,1063, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 69 SER HB3 70 LYS H 4.81 &rst ixpk= 0, nxpk= 0, iat=1057,1063, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end # # 69 SER HB2 70 LYS H 4.81 &rst ixpk= 0, nxpk= 0, iat=1056,1063, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end # # 114 TRP H 114 TRP HD1 3.47 &rst ixpk= 0, nxpk= 0, iat=1760,1768, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end # # 113 PRO HG2 114 TRP H 4.22 &rst ixpk= 0, nxpk= 0, iat=1750,1760, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end # # 112 LYS QB 114 TRP H 4.43 &rst ixpk= 0, nxpk= 0, iat= -1,1760, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr1=1728,1729, &end # # 112 LYS QG 114 TRP H 4.85 &rst ixpk= 0, nxpk= 0, iat= -1,1760, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, igr1=1731,1732, &end # # 31 LEU HA 105 LYS H 3.89 &rst ixpk= 0, nxpk= 0, iat= 429,1608, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end # # 105 LYS H 105 LYS HB2 3.57 &rst ixpk= 0, nxpk= 0, iat=1608,1612, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end # # 105 LYS H 105 LYS HB3 3.57 &rst ixpk= 0, nxpk= 0, iat=1608,1613, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end # # 32 PHE QE 105 LYS H 5.31 &rst ixpk= 0, nxpk= 0, iat= -1,1608, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, igr1= 456, 460, &end # # 31 LEU H 105 LYS H 5.50 &rst ixpk= 0, nxpk= 0, iat= 427,1608, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 30 ASN HA 31 LEU H 3.35 &rst ixpk= 0, nxpk= 0, iat= 415, 427, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end # # 31 LEU H 31 LEU HB2 3.93 &rst ixpk= 0, nxpk= 0, iat= 427, 431, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end # # 31 LEU H 31 LEU HG 4.80 &rst ixpk= 0, nxpk= 0, iat= 427, 434, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 31 LEU H 31 LEU QD1 4.38 &rst ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, igr2= 436, 437, 438, &end # # 31 LEU H 33 ILE QD1 5.02 &rst ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr2= 479, 480, 481, &end # # 31 LEU H 75 VAL QG1 5.37 &rst ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95, igr2=1149,1150,1151, &end # # 112 LYS H 112 LYS QB 3.16 &rst ixpk= 0, nxpk= 0, iat=1724, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, igr2=1728,1729, &end # # 112 LYS H 112 LYS QG 3.47 &rst ixpk= 0, nxpk= 0, iat=1724, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, igr2=1731,1732, &end # # 34 TYR HB2 101 LYS H 5.50 &rst ixpk= 0, nxpk= 0, iat= 489,1534, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 100 LEU H 101 LYS H 4.81 &rst ixpk= 0, nxpk= 0, iat=1515,1534, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end # # 34 TYR QD 101 LYS H 4.94 &rst ixpk= 0, nxpk= 0, iat= -1,1534, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr1= 493, 502, &end # # 33 ILE HA 101 LYS H 5.37 &rst ixpk= 0, nxpk= 0, iat= 468,1534, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end # # 34 TYR HA 101 LYS H 5.50 &rst ixpk= 0, nxpk= 0, iat= 487,1534, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 101 LYS H 102 VAL H 4.56 &rst ixpk= 0, nxpk= 0, iat=1534,1556, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end # # 100 LEU HA 101 LYS H 3.10 &rst ixpk= 0, nxpk= 0, iat=1517,1534, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end # # 35 HIP HB2 101 LYS H 4.53 &rst ixpk= 0, nxpk= 0, iat= 510,1534, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end # # 35 HIP HB3 101 LYS H 4.53 &rst ixpk= 0, nxpk= 0, iat= 511,1534, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end # # 101 LYS H 102 VAL QG2 4.42 &rst ixpk= 0, nxpk= 0, iat=1534, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, igr2=1566,1567,1568, &end # # 107 SER H 108 LYS H 4.65 &rst ixpk= 0, nxpk= 0, iat=1654,1665, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end # # 108 LYS H 109 ASN H 3.79 &rst ixpk= 0, nxpk= 0, iat=1665,1687, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end # # 107 SER HA 108 LYS H 2.91 &rst ixpk= 0, nxpk= 0, iat=1656,1665, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end # # 108 LYS H 108 LYS QG 3.85 &rst ixpk= 0, nxpk= 0, iat=1665, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, igr2=1672,1673, &end # # 108 LYS HA 112 LYS H 5.13 &rst ixpk= 0, nxpk= 0, iat=1667,1724, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end # # 100 LEU HG 101 LYS H 5.49 &rst ixpk= 0, nxpk= 0, iat=1522,1534, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end # # 93 PHE H 99 ARG HA 5.50 &rst ixpk= 0, nxpk= 0, iat=1389,1493, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 93 PHE H 100 LEU HB3 4.69 &rst ixpk= 0, nxpk= 0, iat=1389,1520, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end # # 93 PHE HB3 100 LEU H 4.78 &rst ixpk= 0, nxpk= 0, iat=1394,1515, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end # # 93 PHE H 100 LEU H 4.29 &rst ixpk= 0, nxpk= 0, iat=1389,1515, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end # # 100 LEU H 100 LEU HB3 3.68 &rst ixpk= 0, nxpk= 0, iat=1515,1520, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end # # 100 LEU H 100 LEU HB2 3.68 &rst ixpk= 0, nxpk= 0, iat=1515,1519, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end # # 97 MET H 97 MET HG2 4.35 &rst ixpk= 0, nxpk= 0, iat=1452,1459, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end # # 92 GLY H 93 PHE H 3.22 &rst ixpk= 0, nxpk= 0, iat=1382,1389, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end # # 93 PHE H 93 PHE QD 4.38 &rst ixpk= 0, nxpk= 0, iat=1389, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr2=1397,1405, &end # # 91 ASN HA 93 PHE H 4.05 &rst ixpk= 0, nxpk= 0, iat=1370,1389, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end # # 93 PHE H 93 PHE HB2 3.18 &rst ixpk= 0, nxpk= 0, iat=1389,1393, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end # # 93 PHE H 93 PHE HB3 3.21 &rst ixpk= 0, nxpk= 0, iat=1389,1394, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end # # 93 PHE H 100 LEU HG 5.50 &rst ixpk= 0, nxpk= 0, iat=1389,1522, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 93 PHE H 100 LEU HB2 4.69 &rst ixpk= 0, nxpk= 0, iat=1389,1519, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end # # 43 GLN HA 46 LEU H 3.69 &rst ixpk= 0, nxpk= 0, iat= 630, 676, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end # # 46 LEU H 58 ALA QB 3.90 &rst ixpk= 0, nxpk= 0, iat= 676, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, igr2= 871, 872, 873, &end # # 35 HIP HB2 100 LEU H 5.19 &rst ixpk= 0, nxpk= 0, iat= 510,1515, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end # # 35 HIP HB3 100 LEU H 5.19 &rst ixpk= 0, nxpk= 0, iat= 511,1515, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end # # 32 PHE H 103 GLN H 3.84 &rst ixpk= 0, nxpk= 0, iat= 446,1572, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end # # 103 GLN H 103 GLN HG3 4.92 &rst ixpk= 0, nxpk= 0, iat=1572,1580, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end # # 90 MET QE 93 PHE H 4.81 &rst ixpk= 0, nxpk= 0, iat= -1,1389, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, igr1=1362,1363,1364, &end # # 46 LEU H 46 LEU HB3 3.36 &rst ixpk= 0, nxpk= 0, iat= 676, 681, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end # # 46 LEU H 46 LEU HB2 3.24 &rst ixpk= 0, nxpk= 0, iat= 676, 680, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end # # 46 LEU H 75 VAL QG2 4.81 &rst ixpk= 0, nxpk= 0, iat= 676, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, igr2=1153,1154,1155, &end # # 34 TYR QD 103 GLN H 5.12 &rst ixpk= 0, nxpk= 0, iat= -1,1572, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, igr1= 493, 502, &end # # 32 PHE QB 103 GLN H 5.12 &rst ixpk= 0, nxpk= 0, iat= -1,1572, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, igr1= 450, 451, &end # # 103 GLN H 103 GLN QB 3.66 &rst ixpk= 0, nxpk= 0, iat=1572, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr2=1576,1577, &end # # 103 GLN H 103 GLN HG2 4.92 &rst ixpk= 0, nxpk= 0, iat=1572,1579, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end # # 87 ILE QD1 103 GLN H 4.47 &rst ixpk= 0, nxpk= 0, iat= -1,1572, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr1=1318,1319,1320, &end # # 102 VAL H 103 GLN H 4.96 &rst ixpk= 0, nxpk= 0, iat=1556,1572, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end # # 33 ILE QD1 103 GLN H 5.40 &rst ixpk= 0, nxpk= 0, iat= -1,1572, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1= 479, 480, 481, &end # # 59 LYS HD3 60 VAL H 4.55 &rst ixpk= 0, nxpk= 0, iat= 888, 899, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end # # 59 LYS HA 60 VAL H 3.03 &rst ixpk= 0, nxpk= 0, iat= 879, 899, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end # # 42 ASP HA 60 VAL H 3.76 &rst ixpk= 0, nxpk= 0, iat= 618, 899, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end # # 60 VAL H 60 VAL HB 3.40 &rst ixpk= 0, nxpk= 0, iat= 899, 903, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end # # 45 ILE QG2 60 VAL H 4.19 &rst ixpk= 0, nxpk= 0, iat= -1, 899, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr1= 663, 664, 665, &end # # 22 GLN H 23 LYS H 4.74 &rst ixpk= 0, nxpk= 0, iat= 306, 323, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end # # 22 GLN HA 23 LYS H 2.54 &rst ixpk= 0, nxpk= 0, iat= 308, 323, r1= 1.30, r2= 1.80, r3= 2.54, r4= 3.04, &end # # 23 LYS H 57 SER HB3 4.65 &rst ixpk= 0, nxpk= 0, iat= 323, 861, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end # # 22 GLN QB 23 LYS H 4.09 &rst ixpk= 0, nxpk= 0, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, igr1= 310, 311, &end # # 85 ALA H 87 ILE H 4.53 &rst ixpk= 0, nxpk= 0, iat=1285,1305, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end # # 59 LYS QB 60 VAL H 3.71 &rst ixpk= 0, nxpk= 0, iat= -1, 899, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, igr1= 881, 882, &end # # 83 ALA H 85 ALA H 4.38 &rst ixpk= 0, nxpk= 0, iat=1258,1285, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end # # 81 VAL HA 85 ALA H 4.74 &rst ixpk= 0, nxpk= 0, iat=1233,1285, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end # # 84 GLN QG 85 ALA H 4.31 &rst ixpk= 0, nxpk= 0, iat= -1,1285, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, igr1=1275,1276, &end # # 84 GLN QB 85 ALA H 3.08 &rst ixpk= 0, nxpk= 0, iat= -1,1285, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, igr1=1272,1273, &end # # 15 VAL H 16 PRO HD2 5.08 &rst ixpk= 0, nxpk= 0, iat= 200, 217, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end # # 14 LEU HG 15 VAL H 4.77 &rst ixpk= 0, nxpk= 0, iat= 188, 200, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end # # 31 LEU H 75 VAL H 4.15 &rst ixpk= 0, nxpk= 0, iat= 427,1143, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end # # 74 PHE H 75 VAL H 4.70 &rst ixpk= 0, nxpk= 0, iat=1123,1143, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 74 PHE QD 75 VAL H 4.29 &rst ixpk= 0, nxpk= 0, iat= -1,1143, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, igr1=1131,1139, &end # # 74 PHE HA 75 VAL H 3.05 &rst ixpk= 0, nxpk= 0, iat=1125,1143, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end # # 75 VAL H 75 VAL HB 3.51 &rst ixpk= 0, nxpk= 0, iat=1143,1147, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end # # 33 ILE QD1 75 VAL H 3.29 &rst ixpk= 0, nxpk= 0, iat= -1,1143, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, igr1= 479, 480, 481, &end # # 34 TYR H 73 GLY H 4.92 &rst ixpk= 0, nxpk= 0, iat= 485,1116, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end # # 34 TYR H 103 GLN H 5.50 &rst ixpk= 0, nxpk= 0, iat= 485,1572, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 34 TYR H 35 HIP H 4.94 &rst ixpk= 0, nxpk= 0, iat= 485, 506, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end # # 33 ILE H 34 TYR H 4.73 &rst ixpk= 0, nxpk= 0, iat= 466, 485, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end # # 34 TYR H 101 LYS H 3.82 &rst ixpk= 0, nxpk= 0, iat= 485,1534, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end # # 33 ILE HA 34 TYR H 3.09 &rst ixpk= 0, nxpk= 0, iat= 468, 485, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end # # 34 TYR H 100 LEU HA 4.61 &rst ixpk= 0, nxpk= 0, iat= 485,1517, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end # # 34 TYR H 34 TYR HB2 4.14 &rst ixpk= 0, nxpk= 0, iat= 485, 489, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end # # 34 TYR H 34 TYR HB3 4.14 &rst ixpk= 0, nxpk= 0, iat= 485, 490, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end # # 33 ILE HB 34 TYR H 4.67 &rst ixpk= 0, nxpk= 0, iat= 470, 485, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end # # 33 ILE QD1 34 TYR H 5.31 &rst ixpk= 0, nxpk= 0, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, igr1= 479, 480, 481, &end # # 34 TYR H 101 LYS HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 485,1536, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 34 TYR H 72 PHE QD 5.50 &rst ixpk= 0, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1104,1112, &end # # 103 GLN H 104 LEU H 4.80 &rst ixpk= 0, nxpk= 0, iat=1572,1589, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 104 LEU H 105 LYS H 4.82 &rst ixpk= 0, nxpk= 0, iat=1589,1608, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end # # 103 GLN QB 104 LEU H 3.91 &rst ixpk= 0, nxpk= 0, iat= -1,1589, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, igr1=1576,1577, &end # # 103 GLN HG2 104 LEU H 3.99 &rst ixpk= 0, nxpk= 0, iat=1579,1589, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end # # 103 GLN HG3 104 LEU H 3.99 &rst ixpk= 0, nxpk= 0, iat=1580,1589, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end # # 104 LEU H 104 LEU HB2 3.55 &rst ixpk= 0, nxpk= 0, iat=1589,1593, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end # # 87 ILE QG2 104 LEU H 4.65 &rst ixpk= 0, nxpk= 0, iat= -1,1589, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr1=1311,1312,1313, &end # # 104 LEU H 104 LEU HG 5.05 &rst ixpk= 0, nxpk= 0, iat=1589,1596, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end # # 61 PHE HB2 62 ILE H 4.63 &rst ixpk= 0, nxpk= 0, iat= 919, 935, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end # # 61 PHE QD 62 ILE H 4.46 &rst ixpk= 0, nxpk= 0, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, igr1= 923, 931, &end # # 61 PHE HA 62 ILE H 2.97 &rst ixpk= 0, nxpk= 0, iat= 917, 935, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end # # 61 PHE HB3 62 ILE H 4.63 &rst ixpk= 0, nxpk= 0, iat= 920, 935, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end # # 62 ILE H 62 ILE HB 3.51 &rst ixpk= 0, nxpk= 0, iat= 935, 939, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end # # 62 ILE H 70 LYS QG 5.33 &rst ixpk= 0, nxpk= 0, iat= 935, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, igr2=1070,1071, &end # # 62 ILE H 62 ILE HG12 3.62 &rst ixpk= 0, nxpk= 0, iat= 935, 945, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end # # 17 ARG H 17 ARG QD 4.54 &rst ixpk= 0, nxpk= 0, iat= 230, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, igr2= 240, 241, &end # # 22 GLN H 22 GLN QB 3.39 &rst ixpk= 0, nxpk= 0, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, igr2= 310, 311, &end # # 15 VAL QQG 17 ARG H 4.93 &rst ixpk= 0, nxpk= 0, iat= -1, 230, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15, igr1= 206, 207, 208, 210, 211, 212, &end # # 22 GLN H 22 GLN HG3 4.76 &rst ixpk= 0, nxpk= 0, iat= 306, 314, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end # # 32 PHE HA 33 ILE H 3.23 &rst ixpk= 0, nxpk= 0, iat= 448, 466, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end # # 32 PHE QB 33 ILE H 3.92 &rst ixpk= 0, nxpk= 0, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr1= 450, 451, &end # # 33 ILE H 33 ILE HG13 4.51 &rst ixpk= 0, nxpk= 0, iat= 466, 477, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end # # 86 ALA H 89 ALA QB 4.51 &rst ixpk= 0, nxpk= 0, iat=1295, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, igr2=1345,1346,1347, &end # # 77 TYR QE 86 ALA H 5.01 &rst ixpk= 0, nxpk= 0, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, igr1=1180,1185, &end # # 83 ALA H 86 ALA H 5.26 &rst ixpk= 0, nxpk= 0, iat=1258,1295, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end # # 83 ALA HA 86 ALA H 3.90 &rst ixpk= 0, nxpk= 0, iat=1260,1295, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end # # 52 PHE HB3 86 ALA H 4.31 &rst ixpk= 0, nxpk= 0, iat= 785,1295, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end # # 86 ALA H 87 ILE HA 5.42 &rst ixpk= 0, nxpk= 0, iat=1295,1307, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end # # 52 PHE HB2 86 ALA H 5.30 &rst ixpk= 0, nxpk= 0, iat= 784,1295, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 86 ALA H 87 ILE HG13 4.66 &rst ixpk= 0, nxpk= 0, iat=1295,1316, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end # # 41 GLY H 42 ASP H 4.45 &rst ixpk= 0, nxpk= 0, iat= 609, 616, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end # # 42 ASP H 60 VAL H 4.09 &rst ixpk= 0, nxpk= 0, iat= 616, 899, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end # # 42 ASP H 45 ILE H 5.05 &rst ixpk= 0, nxpk= 0, iat= 616, 657, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end # # 42 ASP H 44 ASP H 4.70 &rst ixpk= 0, nxpk= 0, iat= 616, 645, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 41 GLY HA3 42 ASP H 3.16 &rst ixpk= 0, nxpk= 0, iat= 612, 616, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end # # 41 GLY HA2 42 ASP H 2.98 &rst ixpk= 0, nxpk= 0, iat= 611, 616, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end # # 42 ASP H 42 ASP HB3 3.64 &rst ixpk= 0, nxpk= 0, iat= 616, 621, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end # # 42 ASP H 42 ASP HB2 3.64 &rst ixpk= 0, nxpk= 0, iat= 616, 620, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end # # 42 ASP H 60 VAL HB 4.52 &rst ixpk= 0, nxpk= 0, iat= 616, 903, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end # # 42 ASP H 44 ASP HB2 5.50 &rst ixpk= 0, nxpk= 0, iat= 616, 649, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 42 ASP H 45 ILE QG2 4.71 &rst ixpk= 0, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, igr2= 663, 664, 665, &end # # 86 ALA H 87 ILE H 3.29 &rst ixpk= 0, nxpk= 0, iat=1295,1305, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end # # 40 PHE H 41 GLY H 4.62 &rst ixpk= 0, nxpk= 0, iat= 589, 609, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end # # 39 GLU H 40 PHE H 3.23 &rst ixpk= 0, nxpk= 0, iat= 574, 589, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end # # 40 PHE H 40 PHE QE 5.18 &rst ixpk= 0, nxpk= 0, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, igr2= 599, 603, &end # # 38 GLN HA 40 PHE H 4.21 &rst ixpk= 0, nxpk= 0, iat= 559, 589, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end # # 40 PHE H 40 PHE HB2 3.10 &rst ixpk= 0, nxpk= 0, iat= 589, 593, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end # # 40 PHE H 40 PHE HB3 3.75 &rst ixpk= 0, nxpk= 0, iat= 589, 594, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end # # 39 GLU QG 40 PHE H 3.75 &rst ixpk= 0, nxpk= 0, iat= -1, 589, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, igr1= 581, 582, &end # # 37 PRO QB 40 PHE H 4.77 &rst ixpk= 0, nxpk= 0, iat= -1, 589, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, igr1= 550, 551, &end # # 24 GLU H 25 GLY H 4.67 &rst ixpk= 0, nxpk= 0, iat= 345, 360, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end # # 24 GLU H 56 ILE QG2 4.82 &rst ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, igr2= 843, 844, 845, &end # # 14 LEU H 14 LEU QD1 5.24 &rst ixpk= 0, nxpk= 0, iat= 181, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79, igr2= 190, 191, 192, &end # # 14 LEU H 14 LEU QD2 5.24 &rst ixpk= 0, nxpk= 0, iat= 181, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79, igr2= 194, 195, 196, &end # # 59 LYS H 75 VAL HA 4.02 &rst ixpk= 0, nxpk= 0, iat= 877,1145, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end # # 59 LYS H 75 VAL QG2 3.91 &rst ixpk= 0, nxpk= 0, iat= 877, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, igr2=1153,1154,1155, &end # # 59 LYS H 60 VAL H 4.57 &rst ixpk= 0, nxpk= 0, iat= 877, 899, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end # # 58 ALA H 59 LYS H 4.62 &rst ixpk= 0, nxpk= 0, iat= 867, 877, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end # # 59 LYS H 74 PHE QD 4.77 &rst ixpk= 0, nxpk= 0, iat= 877, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, igr2=1131,1139, &end # # 59 LYS H 59 LYS QB 3.53 &rst ixpk= 0, nxpk= 0, iat= 877, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr2= 881, 882, &end # # 58 ALA QB 59 LYS H 3.65 &rst ixpk= 0, nxpk= 0, iat= -1, 877, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, igr1= 871, 872, 873, &end # # 45 ILE QG2 59 LYS H 3.90 &rst ixpk= 0, nxpk= 0, iat= -1, 877, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, igr1= 663, 664, 665, &end # # 45 ILE QD1 59 LYS H 4.55 &rst ixpk= 0, nxpk= 0, iat= -1, 877, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, igr1= 670, 671, 672, &end # # 31 LEU H 77 TYR H 4.85 &rst ixpk= 0, nxpk= 0, iat= 427,1170, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end # # 25 GLY H 77 TYR H 4.68 &rst ixpk= 0, nxpk= 0, iat= 360,1170, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end # # 77 TYR H 77 TYR QD 3.75 &rst ixpk= 0, nxpk= 0, iat=1170, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, igr2=1178,1187, &end # # 76 SER HA 77 TYR H 3.02 &rst ixpk= 0, nxpk= 0, iat=1161,1170, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end # # 76 SER HB3 77 TYR H 4.20 &rst ixpk= 0, nxpk= 0, iat=1164,1170, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 76 SER HB2 77 TYR H 4.20 &rst ixpk= 0, nxpk= 0, iat=1163,1170, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 77 TYR H 77 TYR HB3 3.99 &rst ixpk= 0, nxpk= 0, iat=1170,1175, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end # # 29 ALA QB 77 TYR H 3.63 &rst ixpk= 0, nxpk= 0, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, igr1= 407, 408, 409, &end # # 31 LEU QD1 77 TYR H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 436, 437, 438, &end # # 31 LEU QD2 77 TYR H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 440, 441, 442, &end # # 56 ILE QD1 77 TYR H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 850, 851, 852, &end # # 75 VAL QG1 77 TYR H 4.79 &rst ixpk= 0, nxpk= 0, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, igr1=1149,1150,1151, &end # # 77 TYR H 77 TYR QE 5.43 &rst ixpk= 0, nxpk= 0, iat=1170, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, igr2=1180,1185, &end # # 24 GLU H 24 GLU HB2 3.65 &rst ixpk= 0, nxpk= 0, iat= 345, 349, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end # # 23 LYS HA 24 GLU H 2.69 &rst ixpk= 0, nxpk= 0, iat= 325, 345, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19, &end # # 24 GLU H 24 GLU HG2 3.84 &rst ixpk= 0, nxpk= 0, iat= 345, 352, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end # # 24 GLU H 24 GLU HB3 4.16 &rst ixpk= 0, nxpk= 0, iat= 345, 350, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end # # 24 GLU H 56 ILE QD1 5.39 &rst ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, igr2= 850, 851, 852, &end # # 79 ASN HD22 81 VAL H 5.06 &rst ixpk= 0, nxpk= 0, iat=1212,1231, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end # # 21 MET H 21 MET HG3 4.60 &rst ixpk= 0, nxpk= 0, iat= 289, 297, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 79 ASN HD21 81 VAL H 3.73 &rst ixpk= 0, nxpk= 0, iat=1213,1231, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end # # 80 PRO HD2 81 VAL H 3.71 &rst ixpk= 0, nxpk= 0, iat=1218,1231, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end # # 79 ASN HB2 81 VAL H 3.83 &rst ixpk= 0, nxpk= 0, iat=1207,1231, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end # # 81 VAL H 81 VAL HB 2.78 &rst ixpk= 0, nxpk= 0, iat=1231,1235, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28, &end # # 81 VAL H 82 SER H 2.98 &rst ixpk= 0, nxpk= 0, iat=1231,1247, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end # # 79 ASN HA 81 VAL H 4.29 &rst ixpk= 0, nxpk= 0, iat=1205,1231, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end # # 109 ASN HB2 110 ASP H 4.52 &rst ixpk= 0, nxpk= 0, iat=1691,1701, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end # # 108 LYS HB2 110 ASP H 5.50 &rst ixpk= 0, nxpk= 0, iat=1669,1701, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 108 LYS HB3 110 ASP H 5.50 &rst ixpk= 0, nxpk= 0, iat=1670,1701, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 83 ALA H 84 GLN QB 4.89 &rst ixpk= 0, nxpk= 0, iat=1258, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, igr2=1272,1273, &end # # 32 PHE H 105 LYS H 5.06 &rst ixpk= 0, nxpk= 0, iat= 446,1608, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end # # 76 SER H 77 TYR H 4.55 &rst ixpk= 0, nxpk= 0, iat=1159,1170, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end # # 75 VAL H 76 SER H 4.65 &rst ixpk= 0, nxpk= 0, iat=1143,1159, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end # # 81 VAL H 83 ALA H 4.07 &rst ixpk= 0, nxpk= 0, iat=1231,1258, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end # # 77 TYR QE 83 ALA H 5.39 &rst ixpk= 0, nxpk= 0, iat= -1,1258, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, igr1=1180,1185, &end # # 80 PRO HA 83 ALA H 3.96 &rst ixpk= 0, nxpk= 0, iat=1227,1258, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end # # 82 SER HB3 83 ALA H 4.49 &rst ixpk= 0, nxpk= 0, iat=1252,1258, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end # # 77 TYR HB3 83 ALA H 4.40 &rst ixpk= 0, nxpk= 0, iat=1175,1258, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 29 ALA QB 83 ALA H 4.99 &rst ixpk= 0, nxpk= 0, iat= -1,1258, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1= 407, 408, 409, &end # # 31 LEU QD1 83 ALA H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1258, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 436, 437, 438, &end # # 31 LEU QD2 83 ALA H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1258, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 440, 441, 442, &end # # 79 ASN H 83 ALA H 5.06 &rst ixpk= 0, nxpk= 0, iat=1203,1258, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end # # 31 LEU HA 32 PHE H 3.28 &rst ixpk= 0, nxpk= 0, iat= 429, 446, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end # # 32 PHE H 104 LEU HA 4.34 &rst ixpk= 0, nxpk= 0, iat= 446,1591, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end # # 32 PHE H 32 PHE QB 3.59 &rst ixpk= 0, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, igr2= 450, 451, &end # # 31 LEU HB3 32 PHE H 4.06 &rst ixpk= 0, nxpk= 0, iat= 432, 446, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end # # 32 PHE H 33 ILE QD1 4.52 &rst ixpk= 0, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr2= 479, 480, 481, &end # # 58 ALA HA 76 SER H 4.24 &rst ixpk= 0, nxpk= 0, iat= 869,1159, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end # # 75 VAL HA 76 SER H 3.11 &rst ixpk= 0, nxpk= 0, iat=1145,1159, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end # # 29 ALA H 30 ASN H 3.90 &rst ixpk= 0, nxpk= 0, iat= 403, 413, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end # # 29 ALA H 30 ASN HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 403, 415, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 98 LYS HA 99 ARG H 2.83 &rst ixpk= 0, nxpk= 0, iat=1471,1491, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end # # 98 LYS QB 99 ARG H 3.51 &rst ixpk= 0, nxpk= 0, iat= -1,1491, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, igr1=1473,1474, &end # # 99 ARG H 99 ARG HB3 3.62 &rst ixpk= 0, nxpk= 0, iat=1491,1496, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end # # 99 ARG H 99 ARG HB2 3.62 &rst ixpk= 0, nxpk= 0, iat=1491,1495, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end # # 99 ARG H 100 LEU H 4.60 &rst ixpk= 0, nxpk= 0, iat=1491,1515, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 97 MET H 98 LYS H 3.20 &rst ixpk= 0, nxpk= 0, iat=1452,1469, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end # # 98 LYS H 99 ARG H 4.52 &rst ixpk= 0, nxpk= 0, iat=1469,1491, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end # # 94 GLN HA 98 LYS H 5.17 &rst ixpk= 0, nxpk= 0, iat=1411,1469, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end # # 97 MET HA 98 LYS H 3.52 &rst ixpk= 0, nxpk= 0, iat=1454,1469, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end # # 96 GLY HA2 98 LYS H 4.74 &rst ixpk= 0, nxpk= 0, iat=1447,1469, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end # # 98 LYS H 98 LYS QB 3.20 &rst ixpk= 0, nxpk= 0, iat=1469, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, igr2=1473,1474, &end # # 98 LYS H 98 LYS HG3 5.18 &rst ixpk= 0, nxpk= 0, iat=1469,1477, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end # # 29 ALA H 80 PRO HA 4.77 &rst ixpk= 0, nxpk= 0, iat= 403,1227, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end # # 27 GLU HA 29 ALA H 3.74 &rst ixpk= 0, nxpk= 0, iat= 383, 403, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end # # 29 ALA H 83 ALA QB 5.33 &rst ixpk= 0, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, igr2=1262,1263,1264, &end # # 29 ALA H 104 LEU QQD 5.01 &rst ixpk= 0, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, igr2=1598,1599,1600,1602,1603,1604, &end # # 109 ASN H 110 ASP H 3.72 &rst ixpk= 0, nxpk= 0, iat=1687,1701, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end # # 108 LYS QG 109 ASN H 4.52 &rst ixpk= 0, nxpk= 0, iat= -1,1687, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, igr1=1672,1673, &end # # 26 PRO HG2 27 GLU H 4.73 &rst ixpk= 0, nxpk= 0, iat= 371, 381, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end # # 26 PRO HA 27 GLU H 2.69 &rst ixpk= 0, nxpk= 0, iat= 377, 381, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19, &end # # 26 PRO HB3 27 GLU H 3.62 &rst ixpk= 0, nxpk= 0, iat= 375, 381, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end # # 27 GLU H 27 GLU HB3 3.02 &rst ixpk= 0, nxpk= 0, iat= 381, 386, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end # # 26 PRO HB2 27 GLU H 3.10 &rst ixpk= 0, nxpk= 0, iat= 374, 381, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end # # 106 ARG H 107 SER H 4.86 &rst ixpk= 0, nxpk= 0, iat=1630,1654, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end # # 106 ARG HA 107 SER H 2.89 &rst ixpk= 0, nxpk= 0, iat=1632,1654, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end # # 106 ARG QD 107 SER H 5.29 &rst ixpk= 0, nxpk= 0, iat= -1,1654, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr1=1640,1641, &end # # 106 ARG QG 107 SER H 4.41 &rst ixpk= 0, nxpk= 0, iat= -1,1654, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1=1637,1638, &end # # 91 ASN H 102 VAL H 5.22 &rst ixpk= 0, nxpk= 0, iat=1368,1556, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end # # 49 PHE HZ 91 ASN H 5.50 &rst ixpk= 0, nxpk= 0, iat= 741,1368, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 91 ASN H 92 GLY H 4.59 &rst ixpk= 0, nxpk= 0, iat=1368,1382, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end # # 90 MET H 91 ASN H 3.03 &rst ixpk= 0, nxpk= 0, iat=1351,1368, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end # # 89 ALA H 91 ASN H 3.97 &rst ixpk= 0, nxpk= 0, iat=1341,1368, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end # # 88 GLN HA 91 ASN H 4.67 &rst ixpk= 0, nxpk= 0, iat=1326,1368, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end # # 87 ILE HA 91 ASN H 3.77 &rst ixpk= 0, nxpk= 0, iat=1307,1368, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end # # 91 ASN H 91 ASN HB3 3.17 &rst ixpk= 0, nxpk= 0, iat=1368,1373, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end # # 91 ASN H 91 ASN HB2 3.13 &rst ixpk= 0, nxpk= 0, iat=1368,1372, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end # # 90 MET HB2 91 ASN H 4.16 &rst ixpk= 0, nxpk= 0, iat=1355,1368, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end # # 90 MET HB3 91 ASN H 4.16 &rst ixpk= 0, nxpk= 0, iat=1356,1368, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end # # 91 ASN H 102 VAL HB 4.13 &rst ixpk= 0, nxpk= 0, iat=1368,1560, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end # # 89 ALA QB 91 ASN H 4.48 &rst ixpk= 0, nxpk= 0, iat= -1,1368, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr1=1345,1346,1347, &end # # 91 ASN H 102 VAL QG1 4.68 &rst ixpk= 0, nxpk= 0, iat=1368, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, igr2=1562,1563,1564, &end # # 60 VAL H 74 PHE H 5.18 &rst ixpk= 0, nxpk= 0, iat= 899,1123, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end # # 45 ILE QG2 74 PHE H 4.86 &rst ixpk= 0, nxpk= 0, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr1= 663, 664, 665, &end # # 60 VAL QG2 74 PHE H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 909, 910, 911, &end # # 60 VAL QG1 74 PHE H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 905, 906, 907, &end # # 73 GLY H 74 PHE H 4.49 &rst ixpk= 0, nxpk= 0, iat=1116,1123, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end # # 58 ALA HA 74 PHE H 5.03 &rst ixpk= 0, nxpk= 0, iat= 869,1123, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end # # 60 VAL HA 74 PHE H 4.53 &rst ixpk= 0, nxpk= 0, iat= 901,1123, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end # # 73 GLY HA3 74 PHE H 3.47 &rst ixpk= 0, nxpk= 0, iat=1119,1123, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end # # 59 LYS QB 74 PHE H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 881, 882, &end # # 33 ILE QD1 74 PHE H 4.49 &rst ixpk= 0, nxpk= 0, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr1= 479, 480, 481, &end # # 85 ALA HA 87 ILE H 4.85 &rst ixpk= 0, nxpk= 0, iat=1287,1305, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end # # 84 GLN HA 87 ILE H 3.83 &rst ixpk= 0, nxpk= 0, iat=1270,1305, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end # # 87 ILE H 87 ILE HB 3.20 &rst ixpk= 0, nxpk= 0, iat=1305,1309, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end # # 87 ILE H 87 ILE HG13 3.32 &rst ixpk= 0, nxpk= 0, iat=1305,1316, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end # # 85 ALA QB 87 ILE H 4.47 &rst ixpk= 0, nxpk= 0, iat= -1,1305, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr1=1289,1290,1291, &end # # 87 ILE H 102 VAL QG1 4.55 &rst ixpk= 0, nxpk= 0, iat=1305, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, igr2=1562,1563,1564, &end # # 31 LEU QD2 87 ILE H 4.02 &rst ixpk= 0, nxpk= 0, iat= -1,1305, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr1= 440, 441, 442, &end # # 87 ILE H 87 ILE HG12 3.41 &rst ixpk= 0, nxpk= 0, iat=1305,1315, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 92 GLY H 101 LYS H 5.35 &rst ixpk= 0, nxpk= 0, iat=1382,1534, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end # # 92 GLY H 101 LYS HA 4.14 &rst ixpk= 0, nxpk= 0, iat=1382,1536, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end # # 91 ASN HB2 92 GLY H 4.64 &rst ixpk= 0, nxpk= 0, iat=1372,1382, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end # # 92 GLY H 93 PHE HB3 5.09 &rst ixpk= 0, nxpk= 0, iat=1382,1394, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end # # 92 GLY H 102 VAL HB 5.50 &rst ixpk= 0, nxpk= 0, iat=1382,1560, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 92 GLY H 102 VAL QG2 4.38 &rst ixpk= 0, nxpk= 0, iat=1382, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, igr2=1566,1567,1568, &end # # 91 ASN HA 92 GLY H 3.16 &rst ixpk= 0, nxpk= 0, iat=1370,1382, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end # # 91 ASN HB3 92 GLY H 4.56 &rst ixpk= 0, nxpk= 0, iat=1373,1382, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end # # 30 ASN H 30 ASN HD22 5.11 &rst ixpk= 0, nxpk= 0, iat= 413, 422, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end # # 28 GLY H 30 ASN HD22 4.90 &rst ixpk= 0, nxpk= 0, iat= 396, 422, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 30 ASN H 30 ASN HD21 5.11 &rst ixpk= 0, nxpk= 0, iat= 413, 423, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end # # 30 ASN HA 30 ASN HD21 5.07 &rst ixpk= 0, nxpk= 0, iat= 415, 423, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end # # 82 SER H 83 ALA H 3.14 &rst ixpk= 0, nxpk= 0, iat=1247,1258, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end # # 79 ASN HA 82 SER H 5.36 &rst ixpk= 0, nxpk= 0, iat=1205,1247, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end # # 80 PRO HA 82 SER H 5.00 &rst ixpk= 0, nxpk= 0, iat=1227,1247, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 82 SER H 82 SER HB3 4.00 &rst ixpk= 0, nxpk= 0, iat=1247,1252, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 79 ASN HB2 82 SER H 3.83 &rst ixpk= 0, nxpk= 0, iat=1207,1247, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end # # 81 VAL HB 82 SER H 3.94 &rst ixpk= 0, nxpk= 0, iat=1235,1247, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end # # 82 SER H 83 ALA QB 4.40 &rst ixpk= 0, nxpk= 0, iat=1247, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr2=1262,1263,1264, &end # # 63 ASP H 68 LEU H 3.99 &rst ixpk= 0, nxpk= 0, iat= 954,1033, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end # # 95 ILE HA 96 GLY H 2.79 &rst ixpk= 0, nxpk= 0, iat=1428,1445, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29, &end # # 95 ILE HG12 96 GLY H 4.12 &rst ixpk= 0, nxpk= 0, iat=1436,1445, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end # # 95 ILE HG13 96 GLY H 4.40 &rst ixpk= 0, nxpk= 0, iat=1437,1445, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 95 ILE QG2 96 GLY H 4.02 &rst ixpk= 0, nxpk= 0, iat= -1,1445, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr1=1432,1433,1434, &end # # 67 ASN HA 68 LEU H 3.28 &rst ixpk= 0, nxpk= 0, iat=1021,1033, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end # # 67 ASN HB2 68 LEU H 4.75 &rst ixpk= 0, nxpk= 0, iat=1023,1033, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end # # 68 LEU H 68 LEU HB3 4.00 &rst ixpk= 0, nxpk= 0, iat=1033,1038, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 68 LEU H 68 LEU HG 3.38 &rst ixpk= 0, nxpk= 0, iat=1033,1040, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end # # 68 LEU H 68 LEU HB2 4.00 &rst ixpk= 0, nxpk= 0, iat=1033,1037, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 66 THR QG2 68 LEU H 4.27 &rst ixpk= 0, nxpk= 0, iat= -1,1033, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr1=1011,1012,1013, &end # # 68 LEU H 68 LEU QD2 4.70 &rst ixpk= 0, nxpk= 0, iat=1033, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, igr2=1046,1047,1048, &end # # 62 ILE QG2 68 LEU H 3.82 &rst ixpk= 0, nxpk= 0, iat= -1,1033, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, igr1= 941, 942, 943, &end # # 67 ASN HB3 68 LEU H 4.60 &rst ixpk= 0, nxpk= 0, iat=1024,1033, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 41 GLY H 44 ASP H 3.71 &rst ixpk= 0, nxpk= 0, iat= 609, 645, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end # # 44 ASP H 46 LEU H 4.56 &rst ixpk= 0, nxpk= 0, iat= 645, 676, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end # # 44 ASP H 45 ILE H 3.24 &rst ixpk= 0, nxpk= 0, iat= 645, 657, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end # # 44 ASP H 44 ASP HB3 3.66 &rst ixpk= 0, nxpk= 0, iat= 645, 650, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end # # 54 ASN H 78 ASP H 4.27 &rst ixpk= 0, nxpk= 0, iat= 807,1191, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end # # 53 GLY HA2 54 ASN H 3.11 &rst ixpk= 0, nxpk= 0, iat= 802, 807, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end # # 54 ASN H 54 ASN QB 2.78 &rst ixpk= 0, nxpk= 0, iat= 807, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, igr2= 811, 812, &end # # 54 ASN H 55 VAL H 4.24 &rst ixpk= 0, nxpk= 0, iat= 807, 821, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end # # 54 ASN H 79 ASN HD22 4.80 &rst ixpk= 0, nxpk= 0, iat= 807,1212, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 53 GLY HA3 54 ASN H 3.14 &rst ixpk= 0, nxpk= 0, iat= 803, 807, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end # # 41 GLY HA3 44 ASP H 4.66 &rst ixpk= 0, nxpk= 0, iat= 612, 645, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end # # 89 ALA H 90 MET H 3.10 &rst ixpk= 0, nxpk= 0, iat=1341,1351, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end # # 87 ILE H 89 ALA H 4.78 &rst ixpk= 0, nxpk= 0, iat=1305,1341, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end # # 87 ILE HA 89 ALA H 4.95 &rst ixpk= 0, nxpk= 0, iat=1307,1341, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end # # 86 ALA HA 89 ALA H 3.50 &rst ixpk= 0, nxpk= 0, iat=1297,1341, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 88 GLN QB 89 ALA H 3.36 &rst ixpk= 0, nxpk= 0, iat= -1,1341, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=1328,1329, &end # # 65 GLN H 67 ASN H 3.53 &rst ixpk= 0, nxpk= 0, iat= 988,1019, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end # # 65 GLN H 66 THR H 2.86 &rst ixpk= 0, nxpk= 0, iat= 988,1005, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end # # 65 GLN H 65 GLN HE21 4.35 &rst ixpk= 0, nxpk= 0, iat= 988,1001, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end # # 63 ASP HA 65 GLN H 4.25 &rst ixpk= 0, nxpk= 0, iat= 956, 988, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end # # 65 GLN H 65 GLN HG2 3.99 &rst ixpk= 0, nxpk= 0, iat= 988, 995, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end # # 65 GLN H 65 GLN HB2 2.89 &rst ixpk= 0, nxpk= 0, iat= 988, 992, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end # # 64 LYS QG 65 GLN H 4.25 &rst ixpk= 0, nxpk= 0, iat= -1, 988, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr1= 973, 974, &end # # 65 GLN H 66 THR QG2 3.78 &rst ixpk= 0, nxpk= 0, iat= 988, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, igr2=1011,1012,1013, &end # # 67 ASN H 68 LEU H 3.28 &rst ixpk= 0, nxpk= 0, iat=1019,1033, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end # # 67 ASN H 67 ASN HA 2.74 &rst ixpk= 0, nxpk= 0, iat=1019,1021, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24, &end # # 64 LYS HA 67 ASN H 3.99 &rst ixpk= 0, nxpk= 0, iat= 968,1019, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end # # 63 ASP HB3 67 ASN H 4.68 &rst ixpk= 0, nxpk= 0, iat= 959,1019, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end # # 67 ASN H 67 ASN HB3 4.10 &rst ixpk= 0, nxpk= 0, iat=1019,1024, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 67 ASN H 67 ASN HB2 3.83 &rst ixpk= 0, nxpk= 0, iat=1019,1023, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end # # 63 ASP HB2 67 ASN H 4.68 &rst ixpk= 0, nxpk= 0, iat= 958,1019, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end # # 65 GLN HB2 67 ASN H 4.62 &rst ixpk= 0, nxpk= 0, iat= 992,1019, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end # # 88 GLN H 91 ASN HB3 5.22 &rst ixpk= 0, nxpk= 0, iat=1324,1373, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end # # 43 GLN H 45 ILE H 4.76 &rst ixpk= 0, nxpk= 0, iat= 628, 657, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end # # 45 ILE H 46 LEU H 3.29 &rst ixpk= 0, nxpk= 0, iat= 657, 676, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end # # 40 PHE HB3 45 ILE H 5.19 &rst ixpk= 0, nxpk= 0, iat= 594, 657, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end # # 44 ASP HB2 45 ILE H 3.56 &rst ixpk= 0, nxpk= 0, iat= 649, 657, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end # # 45 ILE H 46 LEU HB3 5.40 &rst ixpk= 0, nxpk= 0, iat= 657, 681, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 45 ILE H 60 VAL HB 5.50 &rst ixpk= 0, nxpk= 0, iat= 657, 903, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 45 ILE H 45 ILE HB 3.34 &rst ixpk= 0, nxpk= 0, iat= 657, 661, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end # # 44 ASP HB3 45 ILE H 3.53 &rst ixpk= 0, nxpk= 0, iat= 650, 657, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end # # 45 ILE H 75 VAL QG2 5.50 &rst ixpk= 0, nxpk= 0, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1153,1154,1155, &end # # 88 GLN H 90 MET H 4.73 &rst ixpk= 0, nxpk= 0, iat=1324,1351, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end # # 87 ILE H 88 GLN H 3.19 &rst ixpk= 0, nxpk= 0, iat=1305,1324, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end # # 88 GLN H 89 ALA H 3.11 &rst ixpk= 0, nxpk= 0, iat=1324,1341, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end # # 87 ILE HB 88 GLN H 3.07 &rst ixpk= 0, nxpk= 0, iat=1309,1324, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end # # 87 ILE QG2 88 GLN H 3.35 &rst ixpk= 0, nxpk= 0, iat= -1,1324, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, igr1=1311,1312,1313, &end # # 87 ILE QD1 88 GLN H 4.63 &rst ixpk= 0, nxpk= 0, iat= -1,1324, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1=1318,1319,1320, &end # # 87 ILE HG12 88 GLN H 4.75 &rst ixpk= 0, nxpk= 0, iat=1315,1324, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end # # 42 ASP H 43 GLN H 3.12 &rst ixpk= 0, nxpk= 0, iat= 616, 628, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end # # 43 GLN H 44 ASP H 3.01 &rst ixpk= 0, nxpk= 0, iat= 628, 645, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end # # 41 GLY HA3 43 GLN H 4.94 &rst ixpk= 0, nxpk= 0, iat= 612, 628, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end # # 42 ASP HB2 43 GLN H 4.09 &rst ixpk= 0, nxpk= 0, iat= 620, 628, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end # # 43 GLN H 43 GLN HB3 3.55 &rst ixpk= 0, nxpk= 0, iat= 628, 633, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end # # 43 GLN H 45 ILE QG2 4.52 &rst ixpk= 0, nxpk= 0, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr2= 663, 664, 665, &end # # 43 GLN H 60 VAL H 5.50 &rst ixpk= 0, nxpk= 0, iat= 628, 899, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 83 ALA H 84 GLN H 3.14 &rst ixpk= 0, nxpk= 0, iat=1258,1268, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end # # 81 VAL HA 84 GLN H 4.06 &rst ixpk= 0, nxpk= 0, iat=1233,1268, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end # # 84 GLN H 84 GLN QB 2.80 &rst ixpk= 0, nxpk= 0, iat=1268, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr2=1272,1273, &end # # 108 LYS HA 111 SER H 4.91 &rst ixpk= 0, nxpk= 0, iat=1667,1713, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end # # 111 SER H 111 SER QB 3.21 &rst ixpk= 0, nxpk= 0, iat=1713, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr2=1717,1718, &end # # 48 MET H 49 PHE QD 4.29 &rst ixpk= 0, nxpk= 0, iat= 712, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, igr2= 737, 745, &end # # 47 GLN H 49 PHE H 4.36 &rst ixpk= 0, nxpk= 0, iat= 695, 729, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end # # 47 GLN H 48 MET H 3.20 &rst ixpk= 0, nxpk= 0, iat= 695, 712, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end # # 44 ASP H 47 GLN H 5.09 &rst ixpk= 0, nxpk= 0, iat= 645, 695, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end # # 44 ASP HA 47 GLN H 3.81 &rst ixpk= 0, nxpk= 0, iat= 647, 695, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end # # 47 GLN H 47 GLN QG 3.47 &rst ixpk= 0, nxpk= 0, iat= 695, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, igr2= 702, 703, &end # # 47 GLN H 47 GLN QB 2.72 &rst ixpk= 0, nxpk= 0, iat= 695, -1, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, igr2= 699, 700, &end # # 46 LEU HB3 47 GLN H 3.18 &rst ixpk= 0, nxpk= 0, iat= 681, 695, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end # # 46 LEU HB2 47 GLN H 3.87 &rst ixpk= 0, nxpk= 0, iat= 680, 695, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end # # 46 LEU HG 47 GLN H 4.58 &rst ixpk= 0, nxpk= 0, iat= 683, 695, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end # # 47 GLN H 58 ALA QB 5.25 &rst ixpk= 0, nxpk= 0, iat= 695, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr2= 871, 872, 873, &end # # 45 ILE HA 48 MET H 3.82 &rst ixpk= 0, nxpk= 0, iat= 659, 712, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end # # 48 MET H 48 MET HB3 3.51 &rst ixpk= 0, nxpk= 0, iat= 712, 717, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end # # 47 GLN H 50 MET H 5.12 &rst ixpk= 0, nxpk= 0, iat= 695, 749, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end # # 68 LEU HB3 69 SER H 4.20 &rst ixpk= 0, nxpk= 0, iat=1038,1052, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 69 SER H 70 LYS H 4.82 &rst ixpk= 0, nxpk= 0, iat=1052,1063, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end # # 30 ASN H 31 LEU H 4.51 &rst ixpk= 0, nxpk= 0, iat= 413, 427, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end # # 30 ASN H 30 ASN HB3 4.00 &rst ixpk= 0, nxpk= 0, iat= 413, 418, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 30 ASN H 30 ASN HB2 4.00 &rst ixpk= 0, nxpk= 0, iat= 413, 417, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 68 LEU HG 69 SER H 5.02 &rst ixpk= 0, nxpk= 0, iat=1040,1052, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end # # 69 SER H 69 SER HB3 3.60 &rst ixpk= 0, nxpk= 0, iat=1052,1057, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 69 SER H 69 SER HB2 3.60 &rst ixpk= 0, nxpk= 0, iat=1052,1056, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 68 LEU HB2 69 SER H 4.20 &rst ixpk= 0, nxpk= 0, iat=1037,1052, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 62 ILE QD1 69 SER H 3.99 &rst ixpk= 0, nxpk= 0, iat= -1,1052, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, igr1= 948, 949, 950, &end # # 54 ASN H 79 ASN HD21 4.96 &rst ixpk= 0, nxpk= 0, iat= 807,1213, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end # # 79 ASN HD21 82 SER H 3.50 &rst ixpk= 0, nxpk= 0, iat=1213,1247, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 79 ASN HD21 80 PRO HD2 4.72 &rst ixpk= 0, nxpk= 0, iat=1213,1218, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end # # 79 ASN HB2 79 ASN HD21 3.26 &rst ixpk= 0, nxpk= 0, iat=1207,1213, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end # # 79 ASN HA 79 ASN HD21 4.56 &rst ixpk= 0, nxpk= 0, iat=1205,1213, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end # # 79 ASN HD21 81 VAL HB 4.97 &rst ixpk= 0, nxpk= 0, iat=1213,1235, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end # # 79 ASN HD22 82 SER H 3.61 &rst ixpk= 0, nxpk= 0, iat=1212,1247, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end # # 79 ASN HA 79 ASN HD22 5.05 &rst ixpk= 0, nxpk= 0, iat=1205,1212, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end # # 79 ASN HD22 81 VAL QG1 5.37 &rst ixpk= 0, nxpk= 0, iat=1212, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95, igr2=1237,1238,1239, &end # # 91 ASN HD21 92 GLY H 5.50 &rst ixpk= 0, nxpk= 0, iat=1378,1382, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 91 ASN HD21 102 VAL H 5.36 &rst ixpk= 0, nxpk= 0, iat=1378,1556, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end # # 91 ASN HA 91 ASN HD21 5.02 &rst ixpk= 0, nxpk= 0, iat=1370,1378, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end # # 91 ASN H 91 ASN HD21 4.84 &rst ixpk= 0, nxpk= 0, iat=1368,1378, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end # # 91 ASN HB3 91 ASN HD21 3.49 &rst ixpk= 0, nxpk= 0, iat=1373,1378, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end # # 91 ASN HD21 102 VAL HB 4.96 &rst ixpk= 0, nxpk= 0, iat=1378,1560, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end # # 91 ASN HD22 102 VAL H 5.22 &rst ixpk= 0, nxpk= 0, iat=1377,1556, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end # # 91 ASN HB3 91 ASN HD22 3.69 &rst ixpk= 0, nxpk= 0, iat=1373,1377, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end # # 91 ASN HB2 91 ASN HD22 3.84 &rst ixpk= 0, nxpk= 0, iat=1372,1377, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end # # 87 ILE QG2 91 ASN HD22 4.27 &rst ixpk= 0, nxpk= 0, iat= -1,1377, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr1=1311,1312,1313, &end # # 39 GLU H 40 PHE HB2 5.28 &rst ixpk= 0, nxpk= 0, iat= 574, 593, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end # # 39 GLU H 39 GLU QG 3.14 &rst ixpk= 0, nxpk= 0, iat= 574, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, igr2= 581, 582, &end # # 39 GLU H 39 GLU QB 3.08 &rst ixpk= 0, nxpk= 0, iat= 574, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, igr2= 578, 579, &end # # 37 PRO QB 39 GLU H 4.15 &rst ixpk= 0, nxpk= 0, iat= -1, 574, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr1= 550, 551, &end # # 70 LYS H 72 PHE H 5.47 &rst ixpk= 0, nxpk= 0, iat=1063,1096, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end # # 72 PHE H 73 GLY H 5.50 &rst ixpk= 0, nxpk= 0, iat=1096,1116, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 61 PHE H 72 PHE H 5.50 &rst ixpk= 0, nxpk= 0, iat= 915,1096, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 77 TYR H 79 ASN H 4.98 &rst ixpk= 0, nxpk= 0, iat=1170,1203, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end # # 78 ASP H 79 ASN H 3.15 &rst ixpk= 0, nxpk= 0, iat=1191,1203, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end # # 77 TYR QD 79 ASN H 4.47 &rst ixpk= 0, nxpk= 0, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, igr1=1178,1187, &end # # 77 TYR HA 79 ASN H 4.20 &rst ixpk= 0, nxpk= 0, iat=1172,1203, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 25 GLY HA3 79 ASN H 5.44 &rst ixpk= 0, nxpk= 0, iat= 363,1203, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end # # 79 ASN H 80 PRO HA 5.50 &rst ixpk= 0, nxpk= 0, iat=1203,1227, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 79 ASN H 80 PRO HD2 5.04 &rst ixpk= 0, nxpk= 0, iat=1203,1218, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end # # 77 TYR HB2 79 ASN H 3.35 &rst ixpk= 0, nxpk= 0, iat=1174,1203, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end # # 77 TYR HB3 79 ASN H 3.42 &rst ixpk= 0, nxpk= 0, iat=1175,1203, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end # # 56 ILE QD1 79 ASN H 4.82 &rst ixpk= 0, nxpk= 0, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, igr1= 850, 851, 852, &end # # 54 ASN H 79 ASN H 5.40 &rst ixpk= 0, nxpk= 0, iat= 807,1203, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 54 ASN HD22 56 ILE QD1 4.35 &rst ixpk= 0, nxpk= 0, iat= 816, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr2= 850, 851, 852, &end # # 54 ASN H 54 ASN HD21 4.52 &rst ixpk= 0, nxpk= 0, iat= 807, 817, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end # # 54 ASN QB 54 ASN HD21 2.89 &rst ixpk= 0, nxpk= 0, iat= -1, 817, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, igr1= 811, 812, &end # # 54 ASN HD21 56 ILE QD1 4.71 &rst ixpk= 0, nxpk= 0, iat= 817, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, igr2= 850, 851, 852, &end # # 56 ILE H 57 SER H 3.10 &rst ixpk= 0, nxpk= 0, iat= 837, 856, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end # # 57 SER H 76 SER H 3.51 &rst ixpk= 0, nxpk= 0, iat= 856,1159, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end # # 57 SER H 58 ALA H 4.40 &rst ixpk= 0, nxpk= 0, iat= 856, 867, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 57 SER H 77 TYR HA 4.70 &rst ixpk= 0, nxpk= 0, iat= 856,1172, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 55 VAL HB 57 SER H 5.00 &rst ixpk= 0, nxpk= 0, iat= 825, 856, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 56 ILE HB 57 SER H 3.38 &rst ixpk= 0, nxpk= 0, iat= 841, 856, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end # # 57 SER H 58 ALA QB 5.11 &rst ixpk= 0, nxpk= 0, iat= 856, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64, igr2= 871, 872, 873, &end # # 56 ILE QG2 57 SER H 3.82 &rst ixpk= 0, nxpk= 0, iat= -1, 856, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, igr1= 843, 844, 845, &end # # 57 SER H 75 VAL QG1 4.18 &rst ixpk= 0, nxpk= 0, iat= 856, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, igr2=1149,1150,1151, &end # # 54 ASN QB 54 ASN HD22 3.45 &rst ixpk= 0, nxpk= 0, iat= -1, 816, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, igr1= 811, 812, &end # # 54 ASN HD22 78 ASP HB3 5.20 &rst ixpk= 0, nxpk= 0, iat= 816,1196, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 54 ASN HD22 78 ASP HB2 5.20 &rst ixpk= 0, nxpk= 0, iat= 816,1195, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 36 LEU H 72 PHE HA 4.88 &rst ixpk= 0, nxpk= 0, iat= 524,1098, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end # # 35 HIP H 36 LEU H 3.84 &rst ixpk= 0, nxpk= 0, iat= 506, 524, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end # # 34 TYR HA 36 LEU H 4.82 &rst ixpk= 0, nxpk= 0, iat= 487, 524, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end # # 36 LEU H 71 CYS QB 3.90 &rst ixpk= 0, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, igr2=1089,1090, &end # # 41 GLY H 45 ILE H 4.04 &rst ixpk= 0, nxpk= 0, iat= 609, 657, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end # # 40 PHE QD 41 GLY H 3.94 &rst ixpk= 0, nxpk= 0, iat= -1, 609, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, igr1= 597, 605, &end # # 40 PHE HB2 41 GLY H 4.40 &rst ixpk= 0, nxpk= 0, iat= 593, 609, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 40 PHE HB3 41 GLY H 4.09 &rst ixpk= 0, nxpk= 0, iat= 594, 609, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end # # 41 GLY H 44 ASP HB2 3.75 &rst ixpk= 0, nxpk= 0, iat= 609, 649, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end # # 41 GLY H 43 GLN H 5.02 &rst ixpk= 0, nxpk= 0, iat= 609, 628, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end # # 41 GLY H 44 ASP HB3 4.08 &rst ixpk= 0, nxpk= 0, iat= 609, 650, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end # # 78 ASP H 78 ASP HB2 3.78 &rst ixpk= 0, nxpk= 0, iat=1191,1195, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end # # 56 ILE QD1 78 ASP H 3.86 &rst ixpk= 0, nxpk= 0, iat= -1,1191, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, igr1= 850, 851, 852, &end # # 56 ILE H 78 ASP H 4.40 &rst ixpk= 0, nxpk= 0, iat= 837,1191, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 77 TYR H 78 ASP H 4.68 &rst ixpk= 0, nxpk= 0, iat=1170,1191, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end # # 77 TYR HA 78 ASP H 3.15 &rst ixpk= 0, nxpk= 0, iat=1172,1191, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end # # 55 VAL HA 78 ASP H 4.39 &rst ixpk= 0, nxpk= 0, iat= 823,1191, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end # # 78 ASP H 78 ASP HB3 3.78 &rst ixpk= 0, nxpk= 0, iat=1191,1196, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end # # 77 TYR HB3 78 ASP H 3.40 &rst ixpk= 0, nxpk= 0, iat=1175,1191, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end # # 56 ILE HG13 78 ASP H 3.96 &rst ixpk= 0, nxpk= 0, iat= 848,1191, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end # # 38 GLN HE22 69 SER H 4.37 &rst ixpk= 0, nxpk= 0, iat= 569,1052, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end # # 38 GLN HE21 68 LEU QD2 4.37 &rst ixpk= 0, nxpk= 0, iat= 570, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, igr2=1046,1047,1048, &end # # 38 GLN HE21 69 SER H 4.37 &rst ixpk= 0, nxpk= 0, iat= 570,1052, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end # # 27 GLU HB2 28 GLY H 4.54 &rst ixpk= 0, nxpk= 0, iat= 385, 396, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end # # 28 GLY H 30 ASN HD21 4.90 &rst ixpk= 0, nxpk= 0, iat= 396, 423, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 27 GLU HB3 28 GLY H 4.54 &rst ixpk= 0, nxpk= 0, iat= 386, 396, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end # # 28 GLY H 29 ALA QB 4.40 &rst ixpk= 0, nxpk= 0, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr2= 407, 408, 409, &end # # 28 GLY H 104 LEU QQD 4.56 &rst ixpk= 0, nxpk= 0, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, igr2=1598,1599,1600,1602,1603,1604, &end # # 48 MET H 49 PHE H 3.27 &rst ixpk= 0, nxpk= 0, iat= 712, 729, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end # # 46 LEU HA 49 PHE H 4.50 &rst ixpk= 0, nxpk= 0, iat= 678, 729, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 49 PHE H 49 PHE HB3 4.06 &rst ixpk= 0, nxpk= 0, iat= 729, 734, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end # # 49 PHE H 51 PRO HD2 4.38 &rst ixpk= 0, nxpk= 0, iat= 729, 767, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end # # 49 PHE H 49 PHE HB2 3.32 &rst ixpk= 0, nxpk= 0, iat= 729, 733, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end # # 45 ILE QG2 49 PHE H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 663, 664, 665, &end # # 48 MET HB3 49 PHE H 4.18 &rst ixpk= 0, nxpk= 0, iat= 717, 729, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end # # 49 PHE H 50 MET HB2 4.52 &rst ixpk= 0, nxpk= 0, iat= 729, 753, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end # # 64 LYS QB 65 GLN HE21 5.42 &rst ixpk= 0, nxpk= 0, iat= -1,1001, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, igr1= 970, 971, &end # # 64 LYS QD 65 GLN HE22 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1000, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 976, 977, &end # # 84 GLN HA 84 GLN HE22 4.96 &rst ixpk= 0, nxpk= 0, iat=1270,1280, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end # # 84 GLN QB 84 GLN HE22 4.65 &rst ixpk= 0, nxpk= 0, iat= -1,1280, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr1=1272,1273, &end # # 84 GLN HE22 104 LEU HG 4.02 &rst ixpk= 0, nxpk= 0, iat=1280,1596, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end # # 84 GLN HE22 104 LEU QQD 3.54 &rst ixpk= 0, nxpk= 0, iat=1280, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr2=1598,1599,1600,1602,1603,1604, &end # # 65 GLN HA 65 GLN HE21 4.69 &rst ixpk= 0, nxpk= 0, iat= 990,1001, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end # # 65 GLN HE21 66 THR QG2 5.50 &rst ixpk= 0, nxpk= 0, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1011,1012,1013, &end # # 65 GLN HA 65 GLN HE22 5.50 &rst ixpk= 0, nxpk= 0, iat= 990,1000, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 84 GLN QG 84 GLN HE21 3.45 &rst ixpk= 0, nxpk= 0, iat= -1,1281, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, igr1=1275,1276, &end # # 84 GLN HE21 104 LEU HG 4.02 &rst ixpk= 0, nxpk= 0, iat=1281,1596, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end # # 84 GLN HE21 104 LEU QQD 3.54 &rst ixpk= 0, nxpk= 0, iat=1281, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr2=1598,1599,1600,1602,1603,1604, &end # # 34 TYR HB3 35 HIP H 4.46 &rst ixpk= 0, nxpk= 0, iat= 490, 506, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end # # 33 ILE QG2 35 HIP H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 472, 473, 474, &end # # 34 TYR HB2 35 HIP H 4.58 &rst ixpk= 0, nxpk= 0, iat= 489, 506, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end # # 103 GLN QB 103 GLN HE22 3.78 &rst ixpk= 0, nxpk= 0, iat= -1,1584, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1=1576,1577, &end # # 103 GLN QB 103 GLN HE21 3.78 &rst ixpk= 0, nxpk= 0, iat= -1,1585, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1=1576,1577, &end # # 87 ILE H 90 MET H 5.19 &rst ixpk= 0, nxpk= 0, iat=1305,1351, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end # # 90 MET H 91 ASN HB2 4.35 &rst ixpk= 0, nxpk= 0, iat=1351,1372, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end # # 87 ILE HA 90 MET H 4.29 &rst ixpk= 0, nxpk= 0, iat=1307,1351, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end # # 90 MET H 102 VAL QG2 4.15 &rst ixpk= 0, nxpk= 0, iat=1351, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, igr2=1566,1567,1568, &end # # 88 GLN HA 90 MET H 4.93 &rst ixpk= 0, nxpk= 0, iat=1326,1351, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end # # 90 MET H 91 ASN HB3 4.66 &rst ixpk= 0, nxpk= 0, iat=1351,1373, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end # # 49 PHE QE 90 MET H 5.32 &rst ixpk= 0, nxpk= 0, iat= -1,1351, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, igr1= 739, 743, &end # # 49 PHE HZ 90 MET H 5.50 &rst ixpk= 0, nxpk= 0, iat= 741,1351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 90 MET H 90 MET HB2 3.76 &rst ixpk= 0, nxpk= 0, iat=1351,1355, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end # # 90 MET H 90 MET HB3 3.76 &rst ixpk= 0, nxpk= 0, iat=1351,1356, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end # # 13 GLY H 14 LEU HA 5.42 &rst ixpk= 0, nxpk= 0, iat= 174, 183, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end # # 18 GLY H 19 SER H 4.86 &rst ixpk= 0, nxpk= 0, iat= 254, 261, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end # # 17 ARG HG2 18 GLY H 5.50 &rst ixpk= 0, nxpk= 0, iat= 237, 254, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 17 ARG HG3 18 GLY H 5.50 &rst ixpk= 0, nxpk= 0, iat= 238, 254, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 52 PHE H 53 GLY HA3 5.50 &rst ixpk= 0, nxpk= 0, iat= 780, 803, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 51 PRO HD2 52 PHE H 4.26 &rst ixpk= 0, nxpk= 0, iat= 767, 780, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end # # 52 PHE H 52 PHE HB3 3.78 &rst ixpk= 0, nxpk= 0, iat= 780, 785, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end # # 52 PHE H 52 PHE HB2 3.43 &rst ixpk= 0, nxpk= 0, iat= 780, 784, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end # # 51 PRO HG2 52 PHE H 4.12 &rst ixpk= 0, nxpk= 0, iat= 770, 780, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end # # 52 PHE H 86 ALA QB 4.87 &rst ixpk= 0, nxpk= 0, iat= 780, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, igr2=1299,1300,1301, &end # # 51 PRO HB2 52 PHE H 4.14 &rst ixpk= 0, nxpk= 0, iat= 773, 780, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end # # 25 GLY H 56 ILE QG2 5.50 &rst ixpk= 0, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 843, 844, 845, &end # # 25 GLY H 30 ASN HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 360, 415, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 24 GLU HA 25 GLY H 3.29 &rst ixpk= 0, nxpk= 0, iat= 347, 360, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end # # 25 GLY H 76 SER HB3 4.17 &rst ixpk= 0, nxpk= 0, iat= 360,1164, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end # # 25 GLY H 76 SER HB2 4.17 &rst ixpk= 0, nxpk= 0, iat= 360,1163, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end # # 24 GLU HB3 25 GLY H 3.78 &rst ixpk= 0, nxpk= 0, iat= 350, 360, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end # # 25 GLY H 29 ALA QB 4.63 &rst ixpk= 0, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr2= 407, 408, 409, &end # # 13 GLY QA 14 LEU QB 4.52 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, igr1= 176, 177, igr2= 185, 186, &end # # 13 GLY QA 14 LEU QQD 5.44 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.23, r4= 8.73, igr1= 176, 177, igr2= 190, 191, 192, 194, 195, 196, &end # # 14 LEU H 14 LEU QQD 4.50 &rst ixpk= 0, nxpk= 0, iat= 181, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2= 190, 191, 192, 194, 195, 196, &end # # 14 LEU HA 14 LEU QQD 3.19 &rst ixpk= 0, nxpk= 0, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, igr2= 190, 191, 192, 194, 195, 196, &end # # 14 LEU QB 14 LEU QQD 2.70 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, igr1= 185, 186, igr2= 190, 191, 192, 194, 195, 196, &end # # 14 LEU QB 15 VAL HA 5.34 &rst ixpk= 0, nxpk= 0, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1= 185, 186, &end # # 15 VAL H 16 PRO QD 4.40 &rst ixpk= 0, nxpk= 0, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, igr2= 217, 218, &end # # 15 VAL QQG 16 PRO QD 3.15 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr1= 206, 207, 208, 210, 211, 212, igr2= 217, 218, &end # # 15 VAL QQG 17 ARG QG 4.20 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85, igr1= 206, 207, 208, 210, 211, 212, igr2= 237, 238, &end # # 17 ARG QB 17 ARG QD 3.32 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, igr1= 234, 235, igr2= 240, 241, &end # # 17 ARG QB 18 GLY QA 4.59 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, igr1= 234, 235, igr2= 256, 257, &end # # 18 GLY H 19 SER QB 5.34 &rst ixpk= 0, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2= 265, 266, &end # # 19 SER QB 20 HIS QB 4.78 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, igr1= 265, 266, igr2= 276, 277, &end # # 19 SER QB 21 MET H 4.73 &rst ixpk= 0, nxpk= 0, iat= -1, 289, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, igr1= 265, 266, &end # # 19 SER QB 21 MET QB 4.97 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76, igr1= 265, 266, igr2= 293, 294, &end # # 19 SER QB 21 MET QG 4.90 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 265, 266, igr2= 296, 297, &end # # 19 SER QB 21 MET QE 4.21 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr1= 265, 266, igr2= 300, 301, 302, &end # # 20 HIS H 21 MET QG 5.34 &rst ixpk= 0, nxpk= 0, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2= 296, 297, &end # # 20 HIS QB 21 MET QG 5.18 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 276, 277, igr2= 296, 297, &end # # 21 MET H 21 MET QG 3.93 &rst ixpk= 0, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr2= 296, 297, &end # # 21 MET HA 22 GLN QE2 5.34 &rst ixpk= 0, nxpk= 0, iat= 291, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2= 318, 319, &end # # 21 MET QB 22 GLN H 4.14 &rst ixpk= 0, nxpk= 0, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr1= 293, 294, &end # # 21 MET QB 22 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= 293, 294, igr2= 318, 319, &end # # 21 MET QG 22 GLN H 5.34 &rst ixpk= 0, nxpk= 0, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1= 296, 297, &end # # 22 GLN H 22 GLN QG 4.04 &rst ixpk= 0, nxpk= 0, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr2= 313, 314, &end # # 22 GLN HA 22 GLN QG 3.50 &rst ixpk= 0, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 313, 314, &end # # 22 GLN HA 22 GLN QE2 4.52 &rst ixpk= 0, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, igr2= 318, 319, &end # # 22 GLN QG 23 LYS H 4.55 &rst ixpk= 0, nxpk= 0, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, igr1= 313, 314, &end # # 23 LYS H 23 LYS QB 3.31 &rst ixpk= 0, nxpk= 0, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, igr2= 327, 328, &end # # 23 LYS H 23 LYS QD 3.53 &rst ixpk= 0, nxpk= 0, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr2= 333, 334, &end # # 23 LYS HA 23 LYS QD 4.73 &rst ixpk= 0, nxpk= 0, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, igr2= 333, 334, &end # # 23 LYS HA 24 GLU QG 4.20 &rst ixpk= 0, nxpk= 0, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, igr2= 352, 353, &end # # 23 LYS QB 24 GLU H 4.11 &rst ixpk= 0, nxpk= 0, iat= -1, 345, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, igr1= 327, 328, &end # # 23 LYS QB 56 ILE QG2 3.56 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1= 327, 328, igr2= 843, 844, 845, &end # # 23 LYS QB 56 ILE QD1 5.01 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, igr1= 327, 328, igr2= 850, 851, 852, &end # # 23 LYS QB 57 SER HB2 4.87 &rst ixpk= 0, nxpk= 0, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, igr1= 327, 328, &end # # 23 LYS QD 56 ILE QG2 5.27 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60, igr1= 333, 334, igr2= 843, 844, 845, &end # # 23 LYS QD 57 SER HB2 4.99 &rst ixpk= 0, nxpk= 0, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, igr1= 333, 334, &end # # 23 LYS QD 57 SER HB3 5.34 &rst ixpk= 0, nxpk= 0, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1= 333, 334, &end # # 24 GLU H 24 GLU QG 3.32 &rst ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, igr2= 352, 353, &end # # 24 GLU HA 24 GLU QG 3.32 &rst ixpk= 0, nxpk= 0, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, igr2= 352, 353, &end # # 24 GLU HA 76 SER QB 3.87 &rst ixpk= 0, nxpk= 0, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, igr2=1163,1164, &end # # 24 GLU HB2 30 ASN QD2 4.95 &rst ixpk= 0, nxpk= 0, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr2= 422, 423, &end # # 24 GLU HB3 30 ASN QD2 4.20 &rst ixpk= 0, nxpk= 0, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, igr2= 422, 423, &end # # 24 GLU QG 25 GLY H 4.60 &rst ixpk= 0, nxpk= 0, iat= -1, 360, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr1= 352, 353, &end # # 24 GLU QG 74 PHE QE 5.02 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82, igr1= 352, 353, igr2=1133,1137, &end # # 24 GLU QG 74 PHE HZ 4.31 &rst ixpk= 0, nxpk= 0, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, igr1= 352, 353, &end # # 25 GLY H 30 ASN QD2 3.80 &rst ixpk= 0, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, igr2= 422, 423, &end # # 25 GLY H 76 SER QB 3.58 &rst ixpk= 0, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, igr2=1163,1164, &end # # 26 PRO HA 27 GLU QB 4.47 &rst ixpk= 0, nxpk= 0, iat= 377, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, igr2= 385, 386, &end # # 27 GLU H 27 GLU QB 2.57 &rst ixpk= 0, nxpk= 0, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, igr2= 385, 386, &end # # 27 GLU HA 27 GLU QG 3.56 &rst ixpk= 0, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr2= 388, 389, &end # # 27 GLU HA 30 ASN QD2 4.19 &rst ixpk= 0, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, igr2= 422, 423, &end # # 27 GLU QB 28 GLY H 3.97 &rst ixpk= 0, nxpk= 0, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, igr1= 385, 386, &end # # 27 GLU QG 28 GLY H 3.67 &rst ixpk= 0, nxpk= 0, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, igr1= 388, 389, &end # # 27 GLU QG 28 GLY HA2 4.99 &rst ixpk= 0, nxpk= 0, iat= -1, 398, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, igr1= 388, 389, &end # # 28 GLY H 30 ASN QD2 4.13 &rst ixpk= 0, nxpk= 0, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, igr2= 422, 423, &end # # 29 ALA H 30 ASN QB 5.34 &rst ixpk= 0, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2= 417, 418, &end # # 29 ALA H 30 ASN QD2 3.83 &rst ixpk= 0, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, igr2= 422, 423, &end # # 29 ALA HA 30 ASN QD2 5.34 &rst ixpk= 0, nxpk= 0, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2= 422, 423, &end # # 29 ALA HA 84 GLN QE2 5.34 &rst ixpk= 0, nxpk= 0, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2=1280,1281, &end # # 29 ALA QB 30 ASN QD2 5.15 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44, igr1= 407, 408, 409, igr2= 422, 423, &end # # 30 ASN H 30 ASN QB 3.35 &rst ixpk= 0, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, igr2= 417, 418, &end # # 30 ASN H 30 ASN QD2 4.26 &rst ixpk= 0, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, igr2= 422, 423, &end # # 30 ASN H 31 LEU QQD 5.02 &rst ixpk= 0, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27, igr2= 436, 437, 438, 440, 441, 442, &end # # 30 ASN H 84 GLN QE2 4.77 &rst ixpk= 0, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, igr2=1280,1281, &end # # 30 ASN H 105 LYS QB 4.98 &rst ixpk= 0, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, igr2=1612,1613, &end # # 30 ASN HA 30 ASN QD2 4.39 &rst ixpk= 0, nxpk= 0, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, igr2= 422, 423, &end # # 30 ASN HA 31 LEU QQD 4.52 &rst ixpk= 0, nxpk= 0, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, igr2= 436, 437, 438, 440, 441, 442, &end # # 30 ASN HA 76 SER QB 4.87 &rst ixpk= 0, nxpk= 0, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, igr2=1163,1164, &end # # 30 ASN QB 30 ASN QD2 3.21 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, igr1= 417, 418, igr2= 422, 423, &end # # 30 ASN QB 31 LEU H 4.29 &rst ixpk= 0, nxpk= 0, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, igr1= 417, 418, &end # # 30 ASN QB 74 PHE QE 4.10 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, igr1= 417, 418, igr2=1133,1137, &end # # 30 ASN QB 74 PHE HZ 5.03 &rst ixpk= 0, nxpk= 0, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, igr1= 417, 418, &end # # 30 ASN QB 76 SER HA 5.24 &rst ixpk= 0, nxpk= 0, iat= -1,1161, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1= 417, 418, &end # # 30 ASN QB 105 LYS H 4.89 &rst ixpk= 0, nxpk= 0, iat= -1,1608, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, igr1= 417, 418, &end # # 30 ASN QB 105 LYS QB 3.82 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, igr1= 417, 418, igr2=1612,1613, &end # # 30 ASN QB 105 LYS QD 4.48 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, igr1= 417, 418, igr2=1618,1619, &end # # 30 ASN QD2 105 LYS QD 5.01 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81, igr1= 422, 423, igr2=1618,1619, &end # # 30 ASN QD2 105 LYS QE 5.34 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 422, 423, igr2=1621,1622, &end # # 31 LEU H 31 LEU QQD 3.83 &rst ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr2= 436, 437, 438, 440, 441, 442, &end # # 31 LEU HA 31 LEU QQD 3.02 &rst ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, igr2= 436, 437, 438, 440, 441, 442, &end # # 31 LEU HA 105 LYS QB 5.26 &rst ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, igr2=1612,1613, &end # # 31 LEU HB3 31 LEU QQD 3.09 &rst ixpk= 0, nxpk= 0, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, igr2= 436, 437, 438, 440, 441, 442, &end # # 31 LEU QQD 32 PHE H 3.70 &rst ixpk= 0, nxpk= 0, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, igr1= 436, 437, 438, 440, 441, 442, &end # # 31 LEU QQD 33 ILE QD1 5.44 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31, igr1= 436, 437, 438, 440, 441, 442, igr2= 479, 480, 481, &end # # 31 LEU QQD 49 PHE QD 4.08 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 436, 437, 438, 440, 441, 442, igr2= 737, 745, &end # # 31 LEU QQD 49 PHE QE 4.34 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07, igr1= 436, 437, 438, 440, 441, 442, igr2= 739, 743, &end # # 31 LEU QQD 75 VAL HB 4.22 &rst ixpk= 0, nxpk= 0, iat= -1,1147, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, igr1= 436, 437, 438, 440, 441, 442, &end # # 31 LEU QQD 75 VAL QG1 5.44 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31, igr1= 436, 437, 438, 440, 441, 442, igr2=1149,1150,1151, &end # # 31 LEU QQD 76 SER HA 5.44 &rst ixpk= 0, nxpk= 0, iat= -1,1161, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83, igr1= 436, 437, 438, 440, 441, 442, &end # # 31 LEU QQD 77 TYR HB2 4.89 &rst ixpk= 0, nxpk= 0, iat= -1,1174, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09, igr1= 436, 437, 438, 440, 441, 442, &end # # 31 LEU QQD 77 TYR QE 2.75 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, igr1= 436, 437, 438, 440, 441, 442, igr2=1180,1185, &end # # 31 LEU QQD 83 ALA H 4.72 &rst ixpk= 0, nxpk= 0, iat= -1,1258, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 436, 437, 438, 440, 441, 442, &end # # 31 LEU QQD 83 ALA HA 3.26 &rst ixpk= 0, nxpk= 0, iat= -1,1260, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, igr1= 436, 437, 438, 440, 441, 442, &end # # 31 LEU QQD 83 ALA QB 2.81 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, igr1= 436, 437, 438, 440, 441, 442, igr2=1262,1263,1264, &end # # 31 LEU QQD 86 ALA H 4.03 &rst ixpk= 0, nxpk= 0, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr1= 436, 437, 438, 440, 441, 442, &end # # 31 LEU QQD 86 ALA HA 4.83 &rst ixpk= 0, nxpk= 0, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, igr1= 436, 437, 438, 440, 441, 442, &end # # 31 LEU QQD 86 ALA QB 2.83 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr1= 436, 437, 438, 440, 441, 442, igr2=1299,1300,1301, &end # # 31 LEU QQD 87 ILE H 3.03 &rst ixpk= 0, nxpk= 0, iat= -1,1305, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, igr1= 436, 437, 438, 440, 441, 442, &end # # 31 LEU QQD 87 ILE HA 3.56 &rst ixpk= 0, nxpk= 0, iat= -1,1307, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1= 436, 437, 438, 440, 441, 442, &end # # 31 LEU QQD 87 ILE QG2 4.27 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41, igr1= 436, 437, 438, 440, 441, 442, igr2=1311,1312,1313, &end # # 31 LEU QQD 87 ILE HG12 3.47 &rst ixpk= 0, nxpk= 0, iat= -1,1315, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, igr1= 436, 437, 438, 440, 441, 442, &end # # 31 LEU QQD 87 ILE HG13 2.98 &rst ixpk= 0, nxpk= 0, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, igr1= 436, 437, 438, 440, 441, 442, &end # # 31 LEU QQD 89 ALA QB 4.91 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45, igr1= 436, 437, 438, 440, 441, 442, igr2=1345,1346,1347, &end # # 31 LEU QQD 102 VAL QG1 3.13 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, igr1= 436, 437, 438, 440, 441, 442, igr2=1562,1563,1564, &end # # 31 LEU QQD 103 GLN H 4.96 &rst ixpk= 0, nxpk= 0, iat= -1,1572, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19, igr1= 436, 437, 438, 440, 441, 442, &end # # 31 LEU QQD 104 LEU H 4.87 &rst ixpk= 0, nxpk= 0, iat= -1,1589, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, igr1= 436, 437, 438, 440, 441, 442, &end # # 31 LEU QQD 104 LEU HA 3.19 &rst ixpk= 0, nxpk= 0, iat= -1,1591, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, igr1= 436, 437, 438, 440, 441, 442, &end # # 31 LEU QQD 105 LYS H 4.04 &rst ixpk= 0, nxpk= 0, iat= -1,1608, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, igr1= 436, 437, 438, 440, 441, 442, &end # # 32 PHE QB 101 LYS QD 5.14 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98, igr1= 450, 451, igr2=1544,1545, &end # # 32 PHE QD 103 GLN QG 5.34 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 454, 462, igr2=1579,1580, &end # # 32 PHE QD 105 LYS QB 5.03 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84, igr1= 454, 462, igr2=1612,1613, &end # # 33 ILE H 36 LEU QQD 4.62 &rst ixpk= 0, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73, igr2= 533, 534, 535, 537, 538, 539, &end # # 33 ILE HA 36 LEU QQD 5.32 &rst ixpk= 0, nxpk= 0, iat= 468, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67, igr2= 533, 534, 535, 537, 538, 539, &end # # 33 ILE HB 36 LEU QQD 4.14 &rst ixpk= 0, nxpk= 0, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr2= 533, 534, 535, 537, 538, 539, &end # # 33 ILE QG2 36 LEU QQD 2.49 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, igr1= 472, 473, 474, igr2= 533, 534, 535, 537, 538, 539, &end # # 33 ILE QD1 36 LEU QQD 4.37 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57, igr1= 479, 480, 481, igr2= 533, 534, 535, 537, 538, 539, &end # # 33 ILE QD1 74 PHE QB 5.34 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, igr1= 479, 480, 481, igr2=1127,1128, &end # # 34 TYR H 72 PHE QB 5.11 &rst ixpk= 0, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, igr2=1100,1101, &end # # 34 TYR H 100 LEU QQD 4.81 &rst ixpk= 0, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98, igr2=1524,1525,1526,1528,1529,1530, &end # # 34 TYR H 101 LYS QB 5.05 &rst ixpk= 0, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr2=1538,1539, &end # # 34 TYR HA 36 LEU QQD 4.46 &rst ixpk= 0, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, igr2= 533, 534, 535, 537, 538, 539, &end # # 34 TYR HA 72 PHE QB 3.72 &rst ixpk= 0, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, igr2=1100,1101, &end # # 34 TYR HB2 72 PHE QB 4.87 &rst ixpk= 0, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, igr2=1100,1101, &end # # 34 TYR HB2 101 LYS QB 4.94 &rst ixpk= 0, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr2=1538,1539, &end # # 34 TYR HB2 101 LYS QG 5.31 &rst ixpk= 0, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, igr2=1541,1542, &end # # 34 TYR HB2 101 LYS QD 4.37 &rst ixpk= 0, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, igr2=1544,1545, &end # # 34 TYR HB3 101 LYS QD 4.80 &rst ixpk= 0, nxpk= 0, iat= 490, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr2=1544,1545, &end # # 34 TYR QD 72 PHE QB 3.35 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, igr1= 493, 502, igr2=1100,1101, &end # # 34 TYR QD 101 LYS QB 3.48 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, igr1= 493, 502, igr2=1538,1539, &end # # 34 TYR QD 101 LYS QG 4.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 493, 502, igr2=1541,1542, &end # # 34 TYR QD 101 LYS QD 4.61 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, igr1= 493, 502, igr2=1544,1545, &end # # 34 TYR QE 72 PHE QB 4.21 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 495, 500, igr2=1100,1101, &end # # 34 TYR QE 101 LYS QG 5.34 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 495, 500, igr2=1541,1542, &end # # 34 TYR QE 103 GLN QG 5.32 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, igr1= 495, 500, igr2=1579,1580, &end # # 35 HIP H 72 PHE QB 5.15 &rst ixpk= 0, nxpk= 0, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, igr2=1100,1101, &end # # 35 HIP H 100 LEU QQD 5.44 &rst ixpk= 0, nxpk= 0, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83, igr2=1524,1525,1526,1528,1529,1530, &end # # 35 HIP QB 35 HIP HD2 3.41 &rst ixpk= 0, nxpk= 0, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, igr1= 510, 511, &end # # 35 HIP QB 98 LYS QB 4.02 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr1= 510, 511, igr2=1473,1474, &end # # 35 HIP QB 98 LYS QD 4.26 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr1= 510, 511, igr2=1479,1480, &end # # 35 HIP QB 99 ARG H 4.37 &rst ixpk= 0, nxpk= 0, iat= -1,1491, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, igr1= 510, 511, &end # # 35 HIP QB 100 LEU H 4.37 &rst ixpk= 0, nxpk= 0, iat= -1,1515, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, igr1= 510, 511, &end # # 35 HIP QB 100 LEU HA 3.53 &rst ixpk= 0, nxpk= 0, iat= -1,1517, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr1= 510, 511, &end # # 35 HIP QB 100 LEU QQD 3.44 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, igr1= 510, 511, igr2=1524,1525,1526,1528,1529,1530, &end # # 35 HIP QB 101 LYS H 3.76 &rst ixpk= 0, nxpk= 0, iat= -1,1534, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, igr1= 510, 511, &end # # 35 HIP HD2 101 LYS QB 4.20 &rst ixpk= 0, nxpk= 0, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, igr2=1538,1539, &end # # 36 LEU H 36 LEU QQD 3.52 &rst ixpk= 0, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, igr2= 533, 534, 535, 537, 538, 539, &end # # 36 LEU HA 36 LEU QQD 2.97 &rst ixpk= 0, nxpk= 0, iat= 526, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr2= 533, 534, 535, 537, 538, 539, &end # # 36 LEU HA 100 LEU QQD 3.62 &rst ixpk= 0, nxpk= 0, iat= 526, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, igr2=1524,1525,1526,1528,1529,1530, &end # # 36 LEU QB 37 PRO HD2 4.74 &rst ixpk= 0, nxpk= 0, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, igr1= 528, 529, &end # # 36 LEU QB 40 PHE HB2 5.06 &rst ixpk= 0, nxpk= 0, iat= -1, 593, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr1= 528, 529, &end # # 36 LEU QB 40 PHE HB3 4.94 &rst ixpk= 0, nxpk= 0, iat= -1, 594, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr1= 528, 529, &end # # 36 LEU QB 71 CYS QB 4.91 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69, igr1= 528, 529, igr2=1089,1090, &end # # 36 LEU QQD 37 PRO HD2 3.38 &rst ixpk= 0, nxpk= 0, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, igr1= 533, 534, 535, 537, 538, 539, &end # # 36 LEU QQD 37 PRO HD3 3.54 &rst ixpk= 0, nxpk= 0, iat= -1, 545, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr1= 533, 534, 535, 537, 538, 539, &end # # 36 LEU QQD 40 PHE HB3 4.31 &rst ixpk= 0, nxpk= 0, iat= -1, 594, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, igr1= 533, 534, 535, 537, 538, 539, &end # # 36 LEU QQD 40 PHE QD 3.29 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, igr1= 533, 534, 535, 537, 538, 539, igr2= 597, 605, &end # # 36 LEU QQD 40 PHE QE 4.04 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, igr1= 533, 534, 535, 537, 538, 539, igr2= 599, 603, &end # # 36 LEU QQD 71 CYS QB 5.44 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.23, r4= 8.73, igr1= 533, 534, 535, 537, 538, 539, igr2=1089,1090, &end # # 36 LEU QQD 72 PHE H 4.93 &rst ixpk= 0, nxpk= 0, iat= -1,1096, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15, igr1= 533, 534, 535, 537, 538, 539, &end # # 36 LEU QQD 72 PHE HA 3.56 &rst ixpk= 0, nxpk= 0, iat= -1,1098, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1= 533, 534, 535, 537, 538, 539, &end # # 36 LEU QQD 73 GLY H 3.96 &rst ixpk= 0, nxpk= 0, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr1= 533, 534, 535, 537, 538, 539, &end # # 36 LEU QQD 73 GLY HA2 4.96 &rst ixpk= 0, nxpk= 0, iat= -1,1118, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19, igr1= 533, 534, 535, 537, 538, 539, &end # # 36 LEU QQD 73 GLY HA3 4.73 &rst ixpk= 0, nxpk= 0, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, igr1= 533, 534, 535, 537, 538, 539, &end # # 36 LEU QQD 90 MET QE 3.69 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, igr1= 533, 534, 535, 537, 538, 539, igr2=1362,1363,1364, &end # # 36 LEU QQD 95 ILE QD1 3.80 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, igr1= 533, 534, 535, 537, 538, 539, igr2=1439,1440,1441, &end # # 36 LEU QQD 100 LEU HG 3.99 &rst ixpk= 0, nxpk= 0, iat= -1,1522, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr1= 533, 534, 535, 537, 538, 539, &end # # 36 LEU QQD 100 LEU QQD 2.75 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 533, 534, 535, 537, 538, 539, igr2=1524,1525,1526,1528,1529,1530, &end # # 36 LEU QQD 101 LYS H 5.35 &rst ixpk= 0, nxpk= 0, iat= -1,1534, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 533, 534, 535, 537, 538, 539, &end # # 37 PRO HA 38 GLN QB 4.52 &rst ixpk= 0, nxpk= 0, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, igr2= 561, 562, &end # # 37 PRO HD2 100 LEU QQD 4.39 &rst ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, igr2=1524,1525,1526,1528,1529,1530, &end # # 37 PRO HD3 100 LEU QQD 3.60 &rst ixpk= 0, nxpk= 0, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr2=1524,1525,1526,1528,1529,1530, &end # # 38 GLN H 38 GLN QB 3.25 &rst ixpk= 0, nxpk= 0, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, igr2= 561, 562, &end # # 38 GLN H 69 SER QB 5.34 &rst ixpk= 0, nxpk= 0, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2=1056,1057, &end # # 38 GLN HA 38 GLN QE2 5.07 &rst ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, igr2= 569, 570, &end # # 38 GLN HA 69 SER QB 4.08 &rst ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr2=1056,1057, &end # # 38 GLN QG 39 GLU H 4.96 &rst ixpk= 0, nxpk= 0, iat= -1, 574, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr1= 564, 565, &end # # 38 GLN QG 69 SER H 5.34 &rst ixpk= 0, nxpk= 0, iat= -1,1052, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1= 564, 565, &end # # 38 GLN QE2 68 LEU QB 3.89 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, igr1= 569, 570, igr2=1037,1038, &end # # 38 GLN QE2 68 LEU QQD 3.13 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, igr1= 569, 570, igr2=1042,1043,1044,1046,1047,1048, &end # # 38 GLN QE2 69 SER H 3.74 &rst ixpk= 0, nxpk= 0, iat= -1,1052, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 569, 570, &end # # 38 GLN QE2 69 SER QB 3.90 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, igr1= 569, 570, igr2=1056,1057, &end # # 40 PHE QD 60 VAL QQG 5.41 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69, igr1= 597, 605, igr2= 905, 906, 907, 909, 910, 911, &end # # 40 PHE QE 48 MET QB 4.35 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, igr1= 599, 603, igr2= 716, 717, &end # # 40 PHE QE 48 MET QG 4.96 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75, igr1= 599, 603, igr2= 719, 720, &end # # 41 GLY H 60 VAL QQG 5.06 &rst ixpk= 0, nxpk= 0, iat= 609, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32, igr2= 905, 906, 907, 909, 910, 911, &end # # 41 GLY HA2 60 VAL QQG 3.75 &rst ixpk= 0, nxpk= 0, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr2= 905, 906, 907, 909, 910, 911, &end # # 41 GLY HA3 42 ASP QB 5.28 &rst ixpk= 0, nxpk= 0, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, igr2= 620, 621, &end # # 41 GLY HA3 60 VAL QQG 3.86 &rst ixpk= 0, nxpk= 0, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, igr2= 905, 906, 907, 909, 910, 911, &end # # 42 ASP H 42 ASP QB 3.15 &rst ixpk= 0, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, igr2= 620, 621, &end # # 42 ASP H 43 GLN QB 5.34 &rst ixpk= 0, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2= 632, 633, &end # # 42 ASP H 60 VAL QQG 3.61 &rst ixpk= 0, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, igr2= 905, 906, 907, 909, 910, 911, &end # # 42 ASP HA 60 VAL QQG 3.18 &rst ixpk= 0, nxpk= 0, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, igr2= 905, 906, 907, 909, 910, 911, &end # # 42 ASP QB 43 GLN H 3.29 &rst ixpk= 0, nxpk= 0, iat= -1, 628, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, igr1= 620, 621, &end # # 42 ASP QB 59 LYS HA 4.63 &rst ixpk= 0, nxpk= 0, iat= -1, 879, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, igr1= 620, 621, &end # # 42 ASP QB 60 VAL H 4.46 &rst ixpk= 0, nxpk= 0, iat= -1, 899, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, igr1= 620, 621, &end # # 43 GLN H 43 GLN QB 2.75 &rst ixpk= 0, nxpk= 0, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, igr2= 632, 633, &end # # 43 GLN HA 43 GLN QE2 4.72 &rst ixpk= 0, nxpk= 0, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr2= 640, 641, &end # # 43 GLN HA 46 LEU QQD 3.39 &rst ixpk= 0, nxpk= 0, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, igr2= 685, 686, 687, 689, 690, 691, &end # # 43 GLN QG 46 LEU QQD 3.90 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, igr1= 635, 636, igr2= 685, 686, 687, 689, 690, 691, &end # # 43 GLN QE2 46 LEU QQD 3.46 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, igr1= 640, 641, igr2= 685, 686, 687, 689, 690, 691, &end # # 45 ILE H 60 VAL QQG 4.46 &rst ixpk= 0, nxpk= 0, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, igr2= 905, 906, 907, 909, 910, 911, &end # # 45 ILE HA 48 MET QG 4.95 &rst ixpk= 0, nxpk= 0, iat= 659, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr2= 719, 720, &end # # 45 ILE HB 60 VAL QQG 4.68 &rst ixpk= 0, nxpk= 0, iat= 661, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81, igr2= 905, 906, 907, 909, 910, 911, &end # # 45 ILE QG2 60 VAL QQG 2.73 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, igr1= 663, 664, 665, igr2= 905, 906, 907, 909, 910, 911, &end # # 46 LEU H 46 LEU QQD 4.37 &rst ixpk= 0, nxpk= 0, iat= 676, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, igr2= 685, 686, 687, 689, 690, 691, &end # # 46 LEU HA 46 LEU QQD 4.14 &rst ixpk= 0, nxpk= 0, iat= 678, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr2= 685, 686, 687, 689, 690, 691, &end # # 46 LEU HB2 46 LEU QQD 2.67 &rst ixpk= 0, nxpk= 0, iat= 680, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr2= 685, 686, 687, 689, 690, 691, &end # # 46 LEU HB3 46 LEU QQD 2.67 &rst ixpk= 0, nxpk= 0, iat= 681, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr2= 685, 686, 687, 689, 690, 691, &end # # 46 LEU HG 55 VAL QQG 4.71 &rst ixpk= 0, nxpk= 0, iat= 683, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85, igr2= 827, 828, 829, 831, 832, 833, &end # # 46 LEU QQD 47 GLN H 3.65 &rst ixpk= 0, nxpk= 0, iat= -1, 695, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr1= 685, 686, 687, 689, 690, 691, &end # # 46 LEU QQD 47 GLN QG 4.06 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64, igr1= 685, 686, 687, 689, 690, 691, igr2= 702, 703, &end # # 46 LEU QQD 47 GLN QE2 4.85 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84, igr1= 685, 686, 687, 689, 690, 691, igr2= 707, 708, &end # # 46 LEU QQD 49 PHE H 5.44 &rst ixpk= 0, nxpk= 0, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83, igr1= 685, 686, 687, 689, 690, 691, &end # # 46 LEU QQD 49 PHE HB3 5.44 &rst ixpk= 0, nxpk= 0, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83, igr1= 685, 686, 687, 689, 690, 691, &end # # 46 LEU QQD 50 MET H 5.39 &rst ixpk= 0, nxpk= 0, iat= -1, 749, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77, igr1= 685, 686, 687, 689, 690, 691, &end # # 46 LEU QQD 50 MET HA 4.48 &rst ixpk= 0, nxpk= 0, iat= -1, 751, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, igr1= 685, 686, 687, 689, 690, 691, &end # # 46 LEU QQD 50 MET HB2 4.57 &rst ixpk= 0, nxpk= 0, iat= -1, 753, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, igr1= 685, 686, 687, 689, 690, 691, &end # # 46 LEU QQD 50 MET QG 2.99 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, igr1= 685, 686, 687, 689, 690, 691, igr2= 756, 757, &end # # 46 LEU QQD 50 MET QE 2.95 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, igr1= 685, 686, 687, 689, 690, 691, igr2= 760, 761, 762, &end # # 46 LEU QQD 55 VAL H 4.76 &rst ixpk= 0, nxpk= 0, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92, igr1= 685, 686, 687, 689, 690, 691, &end # # 46 LEU QQD 55 VAL HA 5.09 &rst ixpk= 0, nxpk= 0, iat= -1, 823, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36, igr1= 685, 686, 687, 689, 690, 691, &end # # 46 LEU QQD 55 VAL HB 3.77 &rst ixpk= 0, nxpk= 0, iat= -1, 825, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr1= 685, 686, 687, 689, 690, 691, &end # # 46 LEU QQD 55 VAL QQG 2.36 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, igr1= 685, 686, 687, 689, 690, 691, igr2= 827, 828, 829, 831, 832, 833, &end # # 46 LEU QQD 57 SER HA 5.39 &rst ixpk= 0, nxpk= 0, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77, igr1= 685, 686, 687, 689, 690, 691, &end # # 46 LEU QQD 58 ALA HA 5.14 &rst ixpk= 0, nxpk= 0, iat= -1, 869, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 685, 686, 687, 689, 690, 691, &end # # 46 LEU QQD 58 ALA QB 2.49 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, igr1= 685, 686, 687, 689, 690, 691, igr2= 871, 872, 873, &end # # 46 LEU QQD 75 VAL QG1 4.15 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22, igr1= 685, 686, 687, 689, 690, 691, igr2=1149,1150,1151, &end # # 47 GLN H 48 MET QB 5.03 &rst ixpk= 0, nxpk= 0, iat= 695, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, igr2= 716, 717, &end # # 47 GLN QE2 50 MET HB2 5.34 &rst ixpk= 0, nxpk= 0, iat= -1, 753, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1= 707, 708, &end # # 48 MET H 48 MET QB 2.96 &rst ixpk= 0, nxpk= 0, iat= 712, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, igr2= 716, 717, &end # # 48 MET HA 48 MET QG 3.65 &rst ixpk= 0, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, igr2= 719, 720, &end # # 48 MET QB 49 PHE QD 3.38 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, igr1= 716, 717, igr2= 737, 745, &end # # 48 MET QB 49 PHE QE 4.13 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, igr1= 716, 717, igr2= 739, 743, &end # # 48 MET QB 50 MET H 4.88 &rst ixpk= 0, nxpk= 0, iat= -1, 749, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, igr1= 716, 717, &end # # 48 MET QB 90 MET QE 4.67 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1= 716, 717, igr2=1362,1363,1364, &end # # 48 MET QG 48 MET QE 2.63 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, igr1= 719, 720, igr2= 723, 724, 725, &end # # 48 MET QG 49 PHE QE 4.49 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, igr1= 719, 720, igr2= 739, 743, &end # # 48 MET QG 90 MET QE 3.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, igr1= 719, 720, igr2=1362,1363,1364, &end # # 49 PHE HB2 55 VAL QQG 4.43 &rst ixpk= 0, nxpk= 0, iat= 733, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, igr2= 827, 828, 829, 831, 832, 833, &end # # 49 PHE HB3 55 VAL QQG 4.48 &rst ixpk= 0, nxpk= 0, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, igr2= 827, 828, 829, 831, 832, 833, &end # # 49 PHE QE 90 MET QB 3.94 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, igr1= 739, 743, igr2=1355,1356, &end # # 49 PHE HZ 90 MET QB 3.42 &rst ixpk= 0, nxpk= 0, iat= 741, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, igr2=1355,1356, &end # # 50 MET H 55 VAL QQG 3.96 &rst ixpk= 0, nxpk= 0, iat= 749, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr2= 827, 828, 829, 831, 832, 833, &end # # 50 MET HA 55 VAL QQG 2.92 &rst ixpk= 0, nxpk= 0, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, igr2= 827, 828, 829, 831, 832, 833, &end # # 50 MET HB2 55 VAL QQG 4.73 &rst ixpk= 0, nxpk= 0, iat= 753, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, igr2= 827, 828, 829, 831, 832, 833, &end # # 50 MET HB3 55 VAL QQG 5.11 &rst ixpk= 0, nxpk= 0, iat= 754, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39, igr2= 827, 828, 829, 831, 832, 833, &end # # 50 MET QG 55 VAL QQG 3.10 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, igr1= 756, 757, igr2= 827, 828, 829, 831, 832, 833, &end # # 52 PHE H 55 VAL QQG 4.94 &rst ixpk= 0, nxpk= 0, iat= 780, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16, igr2= 827, 828, 829, 831, 832, 833, &end # # 52 PHE HB3 82 SER QB 5.34 &rst ixpk= 0, nxpk= 0, iat= 785, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2=1251,1252, &end # # 53 GLY H 55 VAL QQG 4.13 &rst ixpk= 0, nxpk= 0, iat= 800, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr2= 827, 828, 829, 831, 832, 833, &end # # 53 GLY HA2 82 SER QB 5.10 &rst ixpk= 0, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, igr2=1251,1252, &end # # 53 GLY HA3 82 SER QB 3.81 &rst ixpk= 0, nxpk= 0, iat= 803, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, igr2=1251,1252, &end # # 54 ASN H 55 VAL QQG 4.95 &rst ixpk= 0, nxpk= 0, iat= 807, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17, igr2= 827, 828, 829, 831, 832, 833, &end # # 54 ASN H 82 SER QB 4.85 &rst ixpk= 0, nxpk= 0, iat= 807, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, igr2=1251,1252, &end # # 54 ASN HA 55 VAL QQG 3.73 &rst ixpk= 0, nxpk= 0, iat= 809, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr2= 827, 828, 829, 831, 832, 833, &end # # 54 ASN QB 78 ASP QB 3.73 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, igr1= 811, 812, igr2=1195,1196, &end # # 54 ASN HD21 78 ASP QB 4.35 &rst ixpk= 0, nxpk= 0, iat= 817, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, igr2=1195,1196, &end # # 54 ASN HD22 78 ASP QB 4.34 &rst ixpk= 0, nxpk= 0, iat= 816, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, igr2=1195,1196, &end # # 55 VAL H 55 VAL QQG 2.86 &rst ixpk= 0, nxpk= 0, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, igr2= 827, 828, 829, 831, 832, 833, &end # # 55 VAL HA 55 VAL QQG 2.75 &rst ixpk= 0, nxpk= 0, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, igr2= 827, 828, 829, 831, 832, 833, &end # # 55 VAL QQG 56 ILE H 3.18 &rst ixpk= 0, nxpk= 0, iat= -1, 837, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, igr1= 827, 828, 829, 831, 832, 833, &end # # 55 VAL QQG 56 ILE HA 4.22 &rst ixpk= 0, nxpk= 0, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, igr1= 827, 828, 829, 831, 832, 833, &end # # 55 VAL QQG 57 SER H 2.99 &rst ixpk= 0, nxpk= 0, iat= -1, 856, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, igr1= 827, 828, 829, 831, 832, 833, &end # # 55 VAL QQG 57 SER HA 4.03 &rst ixpk= 0, nxpk= 0, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr1= 827, 828, 829, 831, 832, 833, &end # # 55 VAL QQG 57 SER HB2 5.35 &rst ixpk= 0, nxpk= 0, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 827, 828, 829, 831, 832, 833, &end # # 55 VAL QQG 57 SER HB3 4.75 &rst ixpk= 0, nxpk= 0, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, igr1= 827, 828, 829, 831, 832, 833, &end # # 55 VAL QQG 58 ALA H 4.11 &rst ixpk= 0, nxpk= 0, iat= -1, 867, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr1= 827, 828, 829, 831, 832, 833, &end # # 55 VAL QQG 58 ALA QB 2.66 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, igr1= 827, 828, 829, 831, 832, 833, igr2= 871, 872, 873, &end # # 55 VAL QQG 75 VAL HA 4.43 &rst ixpk= 0, nxpk= 0, iat= -1,1145, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, igr1= 827, 828, 829, 831, 832, 833, &end # # 55 VAL QQG 75 VAL HB 5.26 &rst ixpk= 0, nxpk= 0, iat= -1,1147, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr1= 827, 828, 829, 831, 832, 833, &end # # 55 VAL QQG 75 VAL QG1 2.74 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, igr1= 827, 828, 829, 831, 832, 833, igr2=1149,1150,1151, &end # # 55 VAL QQG 76 SER H 3.66 &rst ixpk= 0, nxpk= 0, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, igr1= 827, 828, 829, 831, 832, 833, &end # # 55 VAL QQG 76 SER QB 4.85 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84, igr1= 827, 828, 829, 831, 832, 833, igr2=1163,1164, &end # # 55 VAL QQG 77 TYR H 5.44 &rst ixpk= 0, nxpk= 0, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83, igr1= 827, 828, 829, 831, 832, 833, &end # # 55 VAL QQG 77 TYR HA 3.99 &rst ixpk= 0, nxpk= 0, iat= -1,1172, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr1= 827, 828, 829, 831, 832, 833, &end # # 55 VAL QQG 77 TYR QD 4.19 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84, igr1= 827, 828, 829, 831, 832, 833, igr2=1178,1187, &end # # 55 VAL QQG 77 TYR QE 3.54 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, igr1= 827, 828, 829, 831, 832, 833, igr2=1180,1185, &end # # 56 ILE HB 76 SER QB 4.71 &rst ixpk= 0, nxpk= 0, iat= 841, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, igr2=1163,1164, &end # # 56 ILE QG2 76 SER QB 5.34 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, igr1= 843, 844, 845, igr2=1163,1164, &end # # 56 ILE QG2 78 ASP QB 4.87 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, igr1= 843, 844, 845, igr2=1195,1196, &end # # 56 ILE HG12 78 ASP QB 4.07 &rst ixpk= 0, nxpk= 0, iat= 847, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, igr2=1195,1196, &end # # 56 ILE HG13 76 SER QB 5.02 &rst ixpk= 0, nxpk= 0, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, igr2=1163,1164, &end # # 56 ILE HG13 78 ASP QB 4.59 &rst ixpk= 0, nxpk= 0, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, igr2=1195,1196, &end # # 56 ILE QD1 78 ASP QB 3.27 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 850, 851, 852, igr2=1195,1196, &end # # 57 SER H 76 SER QB 4.81 &rst ixpk= 0, nxpk= 0, iat= 856, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1163,1164, &end # # 57 SER HB3 76 SER QB 4.08 &rst ixpk= 0, nxpk= 0, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr2=1163,1164, &end # # 59 LYS H 60 VAL QQG 5.44 &rst ixpk= 0, nxpk= 0, iat= 877, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83, igr2= 905, 906, 907, 909, 910, 911, &end # # 59 LYS HA 59 LYS QD 3.91 &rst ixpk= 0, nxpk= 0, iat= 879, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, igr2= 887, 888, &end # # 59 LYS HA 59 LYS QE 5.34 &rst ixpk= 0, nxpk= 0, iat= 879, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2= 890, 891, &end # # 59 LYS QB 74 PHE QB 5.34 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 881, 882, igr2=1127,1128, &end # # 59 LYS QG 60 VAL H 4.18 &rst ixpk= 0, nxpk= 0, iat= -1, 899, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, igr1= 884, 885, &end # # 59 LYS QG 61 PHE QE 5.34 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 884, 885, igr2= 925, 929, &end # # 59 LYS QD 60 VAL H 3.86 &rst ixpk= 0, nxpk= 0, iat= -1, 899, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, igr1= 887, 888, &end # # 59 LYS QD 61 PHE QD 5.27 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14, igr1= 887, 888, igr2= 923, 931, &end # # 59 LYS QD 61 PHE QE 4.45 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1= 887, 888, igr2= 925, 929, &end # # 59 LYS QD 74 PHE QD 5.34 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 887, 888, igr2=1131,1139, &end # # 59 LYS QE 60 VAL H 5.06 &rst ixpk= 0, nxpk= 0, iat= -1, 899, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr1= 890, 891, &end # # 60 VAL H 60 VAL QQG 3.14 &rst ixpk= 0, nxpk= 0, iat= 899, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, igr2= 905, 906, 907, 909, 910, 911, &end # # 60 VAL HA 60 VAL QQG 2.92 &rst ixpk= 0, nxpk= 0, iat= 901, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, igr2= 905, 906, 907, 909, 910, 911, &end # # 60 VAL HA 61 PHE QB 5.28 &rst ixpk= 0, nxpk= 0, iat= 901, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, igr2= 919, 920, &end # # 60 VAL QQG 61 PHE H 3.31 &rst ixpk= 0, nxpk= 0, iat= -1, 915, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, igr1= 905, 906, 907, 909, 910, 911, &end # # 60 VAL QQG 61 PHE QD 4.83 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81, igr1= 905, 906, 907, 909, 910, 911, igr2= 923, 931, &end # # 60 VAL QQG 62 ILE QD1 2.88 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr1= 905, 906, 907, 909, 910, 911, igr2= 948, 949, 950, &end # # 60 VAL QQG 69 SER HA 3.95 &rst ixpk= 0, nxpk= 0, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, igr1= 905, 906, 907, 909, 910, 911, &end # # 60 VAL QQG 70 LYS H 4.15 &rst ixpk= 0, nxpk= 0, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, igr1= 905, 906, 907, 909, 910, 911, &end # # 60 VAL QQG 71 CYS H 5.32 &rst ixpk= 0, nxpk= 0, iat= -1,1085, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67, igr1= 905, 906, 907, 909, 910, 911, &end # # 60 VAL QQG 72 PHE H 3.97 &rst ixpk= 0, nxpk= 0, iat= -1,1096, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, igr1= 905, 906, 907, 909, 910, 911, &end # # 60 VAL QQG 72 PHE HA 5.31 &rst ixpk= 0, nxpk= 0, iat= -1,1098, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66, igr1= 905, 906, 907, 909, 910, 911, &end # # 60 VAL QQG 73 GLY HA3 5.13 &rst ixpk= 0, nxpk= 0, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42, igr1= 905, 906, 907, 909, 910, 911, &end # # 61 PHE H 61 PHE QB 3.53 &rst ixpk= 0, nxpk= 0, iat= 915, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr2= 919, 920, &end # # 61 PHE QB 62 ILE H 3.92 &rst ixpk= 0, nxpk= 0, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr1= 919, 920, &end # # 61 PHE QB 70 LYS QB 5.06 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, igr1= 919, 920, igr2=1067,1068, &end # # 61 PHE QB 70 LYS QG 4.35 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, igr1= 919, 920, igr2=1070,1071, &end # # 61 PHE QB 70 LYS QD 5.18 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 919, 920, igr2=1073,1074, &end # # 61 PHE QB 72 PHE QE 4.78 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, igr1= 919, 920, igr2=1106,1110, &end # # 61 PHE QD 70 LYS QB 5.02 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82, igr1= 923, 931, igr2=1067,1068, &end # # 61 PHE QE 74 PHE QB 3.88 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, igr1= 925, 929, igr2=1127,1128, &end # # 62 ILE QG2 63 ASP QB 4.02 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, igr1= 941, 942, 943, igr2= 958, 959, &end # # 62 ILE QG2 67 ASN QD2 4.93 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15, igr1= 941, 942, 943, igr2=1028,1029, &end # # 62 ILE QD1 69 SER QB 4.13 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr1= 948, 949, 950, igr2=1056,1057, &end # # 63 ASP HA 70 LYS QD 5.28 &rst ixpk= 0, nxpk= 0, iat= 956, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, igr2=1073,1074, &end # # 63 ASP QB 64 LYS QE 5.34 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 958, 959, igr2= 979, 980, &end # # 63 ASP QB 65 GLN H 4.32 &rst ixpk= 0, nxpk= 0, iat= -1, 988, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr1= 958, 959, &end # # 63 ASP QB 66 THR H 4.07 &rst ixpk= 0, nxpk= 0, iat= -1,1005, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, igr1= 958, 959, &end # # 63 ASP QB 66 THR HB 5.34 &rst ixpk= 0, nxpk= 0, iat= -1,1009, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1= 958, 959, &end # # 63 ASP QB 66 THR QG2 4.29 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, igr1= 958, 959, igr2=1011,1012,1013, &end # # 63 ASP QB 67 ASN H 4.01 &rst ixpk= 0, nxpk= 0, iat= -1,1019, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr1= 958, 959, &end # # 63 ASP QB 67 ASN HA 5.25 &rst ixpk= 0, nxpk= 0, iat= -1,1021, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, igr1= 958, 959, &end # # 63 ASP QB 68 LEU H 3.70 &rst ixpk= 0, nxpk= 0, iat= -1,1033, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, igr1= 958, 959, &end # # 63 ASP QB 68 LEU QB 4.70 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, igr1= 958, 959, igr2=1037,1038, &end # # 63 ASP QB 70 LYS QG 3.77 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, igr1= 958, 959, igr2=1070,1071, &end # # 63 ASP QB 70 LYS QD 4.18 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, igr1= 958, 959, igr2=1073,1074, &end # # 63 ASP QB 70 LYS QE 4.07 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr1= 958, 959, igr2=1076,1077, &end # # 64 LYS QE 65 GLN QG 4.58 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, igr1= 979, 980, igr2= 995, 996, &end # # 65 GLN H 65 GLN QG 3.27 &rst ixpk= 0, nxpk= 0, iat= 988, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, igr2= 995, 996, &end # # 65 GLN HA 65 GLN QG 3.13 &rst ixpk= 0, nxpk= 0, iat= 990, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, igr2= 995, 996, &end # # 65 GLN HB2 65 GLN QG 2.57 &rst ixpk= 0, nxpk= 0, iat= 992, -1, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, igr2= 995, 996, &end # # 65 GLN QG 66 THR H 5.04 &rst ixpk= 0, nxpk= 0, iat= -1,1005, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, igr1= 995, 996, &end # # 65 GLN QG 66 THR QG2 4.42 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, igr1= 995, 996, igr2=1011,1012,1013, &end # # 66 THR HA 68 LEU QQD 4.42 &rst ixpk= 0, nxpk= 0, iat=1007, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, igr2=1042,1043,1044,1046,1047,1048, &end # # 66 THR HB 68 LEU QB 4.42 &rst ixpk= 0, nxpk= 0, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, igr2=1037,1038, &end # # 66 THR HB 68 LEU QQD 3.04 &rst ixpk= 0, nxpk= 0, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, igr2=1042,1043,1044,1046,1047,1048, &end # # 66 THR QG2 68 LEU QB 4.02 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, igr1=1011,1012,1013, igr2=1037,1038, &end # # 66 THR QG2 68 LEU QQD 3.71 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, igr1=1011,1012,1013, igr2=1042,1043,1044,1046,1047,1048, &end # # 67 ASN H 68 LEU QB 4.97 &rst ixpk= 0, nxpk= 0, iat=1019, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr2=1037,1038, &end # # 67 ASN H 68 LEU QQD 5.44 &rst ixpk= 0, nxpk= 0, iat=1019, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83, igr2=1042,1043,1044,1046,1047,1048, &end # # 67 ASN HA 67 ASN QD2 4.19 &rst ixpk= 0, nxpk= 0, iat=1021, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, igr2=1028,1029, &end # # 67 ASN HB2 67 ASN QD2 3.16 &rst ixpk= 0, nxpk= 0, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, igr2=1028,1029, &end # # 67 ASN HB2 68 LEU QQD 5.44 &rst ixpk= 0, nxpk= 0, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83, igr2=1042,1043,1044,1046,1047,1048, &end # # 67 ASN HB3 67 ASN QD2 3.47 &rst ixpk= 0, nxpk= 0, iat=1024, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, igr2=1028,1029, &end # # 67 ASN HB3 68 LEU QQD 4.69 &rst ixpk= 0, nxpk= 0, iat=1024, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82, igr2=1042,1043,1044,1046,1047,1048, &end # # 68 LEU H 68 LEU QB 3.20 &rst ixpk= 0, nxpk= 0, iat=1033, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, igr2=1037,1038, &end # # 68 LEU H 68 LEU QQD 3.81 &rst ixpk= 0, nxpk= 0, iat=1033, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr2=1042,1043,1044,1046,1047,1048, &end # # 68 LEU HA 68 LEU QQD 2.60 &rst ixpk= 0, nxpk= 0, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2=1042,1043,1044,1046,1047,1048, &end # # 68 LEU QB 68 LEU QQD 2.62 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr1=1037,1038, igr2=1042,1043,1044,1046,1047,1048, &end # # 68 LEU QB 69 SER H 3.59 &rst ixpk= 0, nxpk= 0, iat= -1,1052, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, igr1=1037,1038, &end # # 68 LEU QQD 69 SER H 3.30 &rst ixpk= 0, nxpk= 0, iat= -1,1052, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, igr1=1042,1043,1044,1046,1047,1048, &end # # 69 SER H 69 SER QB 3.08 &rst ixpk= 0, nxpk= 0, iat=1052, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, igr2=1056,1057, &end # # 69 SER QB 70 LYS H 4.23 &rst ixpk= 0, nxpk= 0, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, igr1=1056,1057, &end # # 70 LYS H 70 LYS QB 3.58 &rst ixpk= 0, nxpk= 0, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, igr2=1067,1068, &end # # 70 LYS H 70 LYS QD 4.89 &rst ixpk= 0, nxpk= 0, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, igr2=1073,1074, &end # # 70 LYS HA 70 LYS QD 3.78 &rst ixpk= 0, nxpk= 0, iat=1065, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr2=1073,1074, &end # # 70 LYS QB 70 LYS QE 4.82 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1067,1068, igr2=1076,1077, &end # # 70 LYS QB 72 PHE H 5.01 &rst ixpk= 0, nxpk= 0, iat= -1,1096, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, igr1=1067,1068, &end # # 70 LYS QB 72 PHE QD 3.42 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, igr1=1067,1068, igr2=1104,1112, &end # # 70 LYS QD 72 PHE QE 3.94 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, igr1=1073,1074, igr2=1106,1110, &end # # 72 PHE QB 73 GLY H 3.64 &rst ixpk= 0, nxpk= 0, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, igr1=1100,1101, &end # # 74 PHE H 74 PHE QB 3.49 &rst ixpk= 0, nxpk= 0, iat=1123, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, igr2=1127,1128, &end # # 74 PHE QB 75 VAL H 4.48 &rst ixpk= 0, nxpk= 0, iat= -1,1143, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr1=1127,1128, &end # # 74 PHE QE 76 SER QB 4.63 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, igr1=1133,1137, igr2=1163,1164, &end # # 74 PHE HZ 76 SER QB 3.91 &rst ixpk= 0, nxpk= 0, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, igr2=1163,1164, &end # # 75 VAL QG1 76 SER QB 4.92 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13, igr1=1149,1150,1151, igr2=1163,1164, &end # # 77 TYR HA 78 ASP QB 4.99 &rst ixpk= 0, nxpk= 0, iat=1172, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, igr2=1195,1196, &end # # 77 TYR HA 82 SER QB 5.34 &rst ixpk= 0, nxpk= 0, iat=1172, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2=1251,1252, &end # # 77 TYR HB2 82 SER QB 4.74 &rst ixpk= 0, nxpk= 0, iat=1174, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, igr2=1251,1252, &end # # 77 TYR QD 82 SER QB 3.28 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, igr1=1178,1187, igr2=1251,1252, &end # # 77 TYR QE 82 SER QB 4.65 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, igr1=1180,1185, igr2=1251,1252, &end # # 78 ASP H 78 ASP QB 3.30 &rst ixpk= 0, nxpk= 0, iat=1191, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, igr2=1195,1196, &end # # 79 ASN H 82 SER QB 3.83 &rst ixpk= 0, nxpk= 0, iat=1203, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, igr2=1251,1252, &end # # 79 ASN HA 81 VAL QQG 4.82 &rst ixpk= 0, nxpk= 0, iat=1205, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2=1237,1238,1239,1241,1242,1243, &end # # 79 ASN HB2 81 VAL QQG 4.99 &rst ixpk= 0, nxpk= 0, iat=1207, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2=1237,1238,1239,1241,1242,1243, &end # # 79 ASN HB3 81 VAL QQG 4.29 &rst ixpk= 0, nxpk= 0, iat=1208, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, igr2=1237,1238,1239,1241,1242,1243, &end # # 79 ASN HD21 81 VAL QQG 4.56 &rst ixpk= 0, nxpk= 0, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, igr2=1237,1238,1239,1241,1242,1243, &end # # 79 ASN HD22 81 VAL QQG 4.58 &rst ixpk= 0, nxpk= 0, iat=1212, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1237,1238,1239,1241,1242,1243, &end # # 79 ASN HD22 82 SER QB 3.39 &rst ixpk= 0, nxpk= 0, iat=1212, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, igr2=1251,1252, &end # # 80 PRO HA 84 GLN QE2 5.34 &rst ixpk= 0, nxpk= 0, iat=1227, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2=1280,1281, &end # # 80 PRO HG2 81 VAL QQG 3.95 &rst ixpk= 0, nxpk= 0, iat=1221, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, igr2=1237,1238,1239,1241,1242,1243, &end # # 80 PRO HD2 81 VAL QQG 4.48 &rst ixpk= 0, nxpk= 0, iat=1218, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, igr2=1237,1238,1239,1241,1242,1243, &end # # 81 VAL H 81 VAL QQG 2.54 &rst ixpk= 0, nxpk= 0, iat=1231, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, igr2=1237,1238,1239,1241,1242,1243, &end # # 81 VAL H 82 SER QB 4.84 &rst ixpk= 0, nxpk= 0, iat=1231, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr2=1251,1252, &end # # 81 VAL HA 81 VAL QQG 2.61 &rst ixpk= 0, nxpk= 0, iat=1233, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, igr2=1237,1238,1239,1241,1242,1243, &end # # 81 VAL QQG 82 SER H 3.14 &rst ixpk= 0, nxpk= 0, iat= -1,1247, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, igr1=1237,1238,1239,1241,1242,1243, &end # # 81 VAL QQG 82 SER HA 4.22 &rst ixpk= 0, nxpk= 0, iat= -1,1249, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, igr1=1237,1238,1239,1241,1242,1243, &end # # 81 VAL QQG 82 SER QB 5.28 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49, igr1=1237,1238,1239,1241,1242,1243, igr2=1251,1252, &end # # 81 VAL QQG 83 ALA H 4.95 &rst ixpk= 0, nxpk= 0, iat= -1,1258, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17, igr1=1237,1238,1239,1241,1242,1243, &end # # 81 VAL QQG 84 GLN QG 4.96 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr1=1237,1238,1239,1241,1242,1243, igr2=1275,1276, &end # # 82 SER H 82 SER QB 3.23 &rst ixpk= 0, nxpk= 0, iat=1247, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, igr2=1251,1252, &end # # 82 SER QB 83 ALA H 3.63 &rst ixpk= 0, nxpk= 0, iat= -1,1258, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, igr1=1251,1252, &end # # 82 SER QB 83 ALA QB 4.31 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, igr1=1251,1252, igr2=1262,1263,1264, &end # # 82 SER QB 85 ALA QB 4.51 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, igr1=1251,1252, igr2=1289,1290,1291, &end # # 83 ALA QB 84 GLN QE2 4.41 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr1=1262,1263,1264, igr2=1280,1281, &end # # 84 GLN HA 84 GLN QE2 4.16 &rst ixpk= 0, nxpk= 0, iat=1270, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, igr2=1280,1281, &end # # 84 GLN QB 84 GLN QE2 4.05 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, igr1=1272,1273, igr2=1280,1281, &end # # 84 GLN QG 84 GLN QE2 2.98 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, igr1=1275,1276, igr2=1280,1281, &end # # 84 GLN QE2 87 ILE QD1 4.07 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, igr1=1280,1281, igr2=1318,1319,1320, &end # # 84 GLN QE2 104 LEU QB 4.80 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, igr1=1280,1281, igr2=1593,1594, &end # # 84 GLN QE2 104 LEU HG 3.33 &rst ixpk= 0, nxpk= 0, iat= -1,1596, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, igr1=1280,1281, &end # # 86 ALA QB 90 MET QB 5.10 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37, igr1=1299,1300,1301, igr2=1355,1356, &end # # 87 ILE QG2 103 GLN QG 5.34 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, igr1=1311,1312,1313, igr2=1579,1580, &end # # 88 GLN QB 88 GLN QE2 4.07 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr1=1328,1329, igr2=1336,1337, &end # # 89 ALA H 90 MET QB 5.34 &rst ixpk= 0, nxpk= 0, iat=1341, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2=1355,1356, &end # # 89 ALA HA 90 MET QB 5.34 &rst ixpk= 0, nxpk= 0, iat=1343, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2=1355,1356, &end # # 89 ALA QB 90 MET QB 3.91 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, igr1=1345,1346,1347, igr2=1355,1356, &end # # 90 MET H 90 MET QB 3.08 &rst ixpk= 0, nxpk= 0, iat=1351, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, igr2=1355,1356, &end # # 90 MET HA 100 LEU QB 5.34 &rst ixpk= 0, nxpk= 0, iat=1353, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2=1519,1520, &end # # 90 MET HA 100 LEU QQD 4.90 &rst ixpk= 0, nxpk= 0, iat=1353, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1524,1525,1526,1528,1529,1530, &end # # 90 MET QB 90 MET QE 2.77 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, igr1=1355,1356, igr2=1362,1363,1364, &end # # 90 MET QB 91 ASN H 3.43 &rst ixpk= 0, nxpk= 0, iat= -1,1368, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, igr1=1355,1356, &end # # 90 MET QB 93 PHE H 5.34 &rst ixpk= 0, nxpk= 0, iat= -1,1389, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1=1355,1356, &end # # 90 MET QB 93 PHE HB2 4.52 &rst ixpk= 0, nxpk= 0, iat= -1,1393, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, igr1=1355,1356, &end # # 90 MET QE 100 LEU QQD 2.38 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, igr1=1362,1363,1364, igr2=1524,1525,1526,1528,1529,1530, &end # # 92 GLY H 99 ARG QB 5.34 &rst ixpk= 0, nxpk= 0, iat=1382, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2=1495,1496, &end # # 92 GLY H 100 LEU QB 4.72 &rst ixpk= 0, nxpk= 0, iat=1382, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr2=1519,1520, &end # # 92 GLY H 101 LYS QG 5.34 &rst ixpk= 0, nxpk= 0, iat=1382, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2=1541,1542, &end # # 92 GLY HA2 99 ARG QB 4.04 &rst ixpk= 0, nxpk= 0, iat=1384, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr2=1495,1496, &end # # 92 GLY HA2 99 ARG QD 3.68 &rst ixpk= 0, nxpk= 0, iat=1384, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, igr2=1501,1502, &end # # 92 GLY HA3 99 ARG QB 5.02 &rst ixpk= 0, nxpk= 0, iat=1385, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, igr2=1495,1496, &end # # 92 GLY HA3 99 ARG QD 4.50 &rst ixpk= 0, nxpk= 0, iat=1385, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1501,1502, &end # # 93 PHE H 100 LEU QB 3.91 &rst ixpk= 0, nxpk= 0, iat=1389, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, igr2=1519,1520, &end # # 93 PHE H 100 LEU QQD 3.98 &rst ixpk= 0, nxpk= 0, iat=1389, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr2=1524,1525,1526,1528,1529,1530, &end # # 93 PHE HA 94 GLN QB 4.31 &rst ixpk= 0, nxpk= 0, iat=1391, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, igr2=1413,1414, &end # # 93 PHE HB2 100 LEU QB 4.93 &rst ixpk= 0, nxpk= 0, iat=1393, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr2=1519,1520, &end # # 93 PHE HB2 100 LEU QQD 3.63 &rst ixpk= 0, nxpk= 0, iat=1393, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, igr2=1524,1525,1526,1528,1529,1530, &end # # 93 PHE HB3 100 LEU QB 4.13 &rst ixpk= 0, nxpk= 0, iat=1394, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, igr2=1519,1520, &end # # 93 PHE HB3 100 LEU QQD 3.40 &rst ixpk= 0, nxpk= 0, iat=1394, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr2=1524,1525,1526,1528,1529,1530, &end # # 93 PHE QD 100 LEU QB 5.34 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1397,1405, igr2=1519,1520, &end # # 93 PHE QD 100 LEU QQD 3.02 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, igr1=1397,1405, igr2=1524,1525,1526,1528,1529,1530, &end # # 93 PHE HZ 100 LEU QQD 5.44 &rst ixpk= 0, nxpk= 0, iat=1401, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83, igr2=1524,1525,1526,1528,1529,1530, &end # # 94 GLN HA 99 ARG QB 5.29 &rst ixpk= 0, nxpk= 0, iat=1411, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr2=1495,1496, &end # # 94 GLN QB 95 ILE H 4.18 &rst ixpk= 0, nxpk= 0, iat= -1,1426, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, igr1=1413,1414, &end # # 94 GLN QB 99 ARG HA 4.57 &rst ixpk= 0, nxpk= 0, iat= -1,1493, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr1=1413,1414, &end # # 94 GLN QB 99 ARG HG2 3.63 &rst ixpk= 0, nxpk= 0, iat= -1,1498, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, igr1=1413,1414, &end # # 94 GLN QB 99 ARG QD 4.68 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, igr1=1413,1414, igr2=1501,1502, &end # # 94 GLN QG 94 GLN QE2 2.95 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, igr1=1416,1417, igr2=1421,1422, &end # # 94 GLN QE2 95 ILE H 4.74 &rst ixpk= 0, nxpk= 0, iat= -1,1426, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, igr1=1421,1422, &end # # 94 GLN QE2 96 GLY H 5.34 &rst ixpk= 0, nxpk= 0, iat= -1,1445, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1=1421,1422, &end # # 94 GLN QE2 97 MET H 5.34 &rst ixpk= 0, nxpk= 0, iat= -1,1452, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1=1421,1422, &end # # 94 GLN QE2 97 MET HA 3.65 &rst ixpk= 0, nxpk= 0, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, igr1=1421,1422, &end # # 95 ILE H 96 GLY QA 5.34 &rst ixpk= 0, nxpk= 0, iat=1426, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2=1447,1448, &end # # 95 ILE QG2 96 GLY QA 4.87 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, igr1=1432,1433,1434, igr2=1447,1448, &end # # 95 ILE QD1 100 LEU QQD 3.29 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, igr1=1439,1440,1441, igr2=1524,1525,1526,1528,1529,1530, &end # # 96 GLY QA 97 MET HA 4.99 &rst ixpk= 0, nxpk= 0, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, igr1=1447,1448, &end # # 96 GLY QA 97 MET QB 4.95 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74, igr1=1447,1448, igr2=1456,1457, &end # # 96 GLY QA 97 MET QG 4.52 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, igr1=1447,1448, igr2=1459,1460, &end # # 96 GLY QA 97 MET QE 4.38 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, igr1=1447,1448, igr2=1463,1464,1465, &end # # 96 GLY QA 98 LYS H 4.02 &rst ixpk= 0, nxpk= 0, iat= -1,1469, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, igr1=1447,1448, &end # # 97 MET H 97 MET QB 3.47 &rst ixpk= 0, nxpk= 0, iat=1452, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, igr2=1456,1457, &end # # 97 MET H 97 MET QG 3.70 &rst ixpk= 0, nxpk= 0, iat=1452, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, igr2=1459,1460, &end # # 97 MET HA 97 MET QG 3.33 &rst ixpk= 0, nxpk= 0, iat=1454, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, igr2=1459,1460, &end # # 97 MET QG 98 LYS H 5.02 &rst ixpk= 0, nxpk= 0, iat= -1,1469, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, igr1=1459,1460, &end # # 98 LYS H 98 LYS QG 4.36 &rst ixpk= 0, nxpk= 0, iat=1469, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, igr2=1476,1477, &end # # 98 LYS HA 98 LYS QG 3.22 &rst ixpk= 0, nxpk= 0, iat=1471, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, igr2=1476,1477, &end # # 98 LYS QG 99 ARG H 3.69 &rst ixpk= 0, nxpk= 0, iat= -1,1491, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, igr1=1476,1477, &end # # 99 ARG H 99 ARG QB 3.13 &rst ixpk= 0, nxpk= 0, iat=1491, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, igr2=1495,1496, &end # # 99 ARG H 99 ARG QD 4.52 &rst ixpk= 0, nxpk= 0, iat=1491, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, igr2=1501,1502, &end # # 99 ARG HA 99 ARG QD 4.70 &rst ixpk= 0, nxpk= 0, iat=1493, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr2=1501,1502, &end # # 99 ARG HA 100 LEU QB 5.34 &rst ixpk= 0, nxpk= 0, iat=1493, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2=1519,1520, &end # # 99 ARG HA 100 LEU QQD 4.73 &rst ixpk= 0, nxpk= 0, iat=1493, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, igr2=1524,1525,1526,1528,1529,1530, &end # # 99 ARG QB 99 ARG QD 3.31 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, igr1=1495,1496, igr2=1501,1502, &end # # 100 LEU H 100 LEU QB 3.22 &rst ixpk= 0, nxpk= 0, iat=1515, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, igr2=1519,1520, &end # # 100 LEU H 100 LEU QQD 3.27 &rst ixpk= 0, nxpk= 0, iat=1515, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr2=1524,1525,1526,1528,1529,1530, &end # # 100 LEU HA 100 LEU QQD 2.87 &rst ixpk= 0, nxpk= 0, iat=1517, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, igr2=1524,1525,1526,1528,1529,1530, &end # # 100 LEU QB 100 LEU QQD 2.74 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, igr1=1519,1520, igr2=1524,1525,1526,1528,1529,1530, &end # # 100 LEU QB 101 LYS H 4.33 &rst ixpk= 0, nxpk= 0, iat= -1,1534, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, igr1=1519,1520, &end # # 100 LEU QB 102 VAL QG2 3.33 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1=1519,1520, igr2=1566,1567,1568, &end # # 100 LEU QQD 101 LYS H 3.63 &rst ixpk= 0, nxpk= 0, iat= -1,1534, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, igr1=1524,1525,1526,1528,1529,1530, &end # # 101 LYS H 101 LYS QG 4.30 &rst ixpk= 0, nxpk= 0, iat=1534, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr2=1541,1542, &end # # 101 LYS HA 101 LYS QG 3.70 &rst ixpk= 0, nxpk= 0, iat=1536, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, igr2=1541,1542, &end # # 101 LYS HA 101 LYS QD 4.19 &rst ixpk= 0, nxpk= 0, iat=1536, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, igr2=1544,1545, &end # # 101 LYS QG 101 LYS QD 2.33 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, igr1=1541,1542, igr2=1544,1545, &end # # 101 LYS QG 102 VAL H 4.22 &rst ixpk= 0, nxpk= 0, iat= -1,1556, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, igr1=1541,1542, &end # # 101 LYS QD 102 VAL H 5.34 &rst ixpk= 0, nxpk= 0, iat= -1,1556, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1=1544,1545, &end # # 102 VAL QG1 103 GLN QG 5.34 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, igr1=1562,1563,1564, igr2=1579,1580, &end # # 103 GLN HA 103 GLN QG 3.10 &rst ixpk= 0, nxpk= 0, iat=1574, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, igr2=1579,1580, &end # # 103 GLN HA 103 GLN QE2 4.24 &rst ixpk= 0, nxpk= 0, iat=1574, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr2=1584,1585, &end # # 103 GLN HA 104 LEU QB 4.17 &rst ixpk= 0, nxpk= 0, iat=1574, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, igr2=1593,1594, &end # # 103 GLN QB 103 GLN QE2 3.05 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, igr1=1576,1577, igr2=1584,1585, &end # # 103 GLN QG 104 LEU H 3.31 &rst ixpk= 0, nxpk= 0, iat= -1,1589, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, igr1=1579,1580, &end # # 104 LEU H 104 LEU QB 2.77 &rst ixpk= 0, nxpk= 0, iat=1589, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, igr2=1593,1594, &end # # 104 LEU QB 104 LEU HG 2.47 &rst ixpk= 0, nxpk= 0, iat= -1,1596, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27, igr1=1593,1594, &end # # 104 LEU QB 104 LEU QQD 2.67 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, igr1=1593,1594, igr2=1598,1599,1600,1602,1603,1604, &end # # 104 LEU QQD 105 LYS QB 4.94 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97, igr1=1598,1599,1600,1602,1603,1604, igr2=1612,1613, &end # # 105 LYS H 105 LYS QB 3.10 &rst ixpk= 0, nxpk= 0, iat=1608, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, igr2=1612,1613, &end # # 105 LYS QB 105 LYS QD 3.19 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, igr1=1612,1613, igr2=1618,1619, &end # # 105 LYS QB 105 LYS QE 4.32 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, igr1=1612,1613, igr2=1621,1622, &end # # 106 ARG QB 107 SER H 3.82 &rst ixpk= 0, nxpk= 0, iat= -1,1654, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, igr1=1634,1635, &end # # 107 SER H 107 SER QB 3.45 &rst ixpk= 0, nxpk= 0, iat=1654, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, igr2=1658,1659, &end # # 107 SER QB 108 LYS H 3.46 &rst ixpk= 0, nxpk= 0, iat= -1,1665, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, igr1=1658,1659, &end # # 107 SER QB 108 LYS HA 4.80 &rst ixpk= 0, nxpk= 0, iat= -1,1667, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr1=1658,1659, &end # # 107 SER QB 109 ASN H 4.55 &rst ixpk= 0, nxpk= 0, iat= -1,1687, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, igr1=1658,1659, &end # # 107 SER QB 110 ASP H 4.19 &rst ixpk= 0, nxpk= 0, iat= -1,1701, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, igr1=1658,1659, &end # # 107 SER QB 110 ASP QB 4.76 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=1658,1659, igr2=1705,1706, &end # # 108 LYS H 108 LYS QB 3.45 &rst ixpk= 0, nxpk= 0, iat=1665, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, igr2=1669,1670, &end # # 108 LYS QB 108 LYS QD 2.41 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, igr1=1669,1670, igr2=1675,1676, &end # # 108 LYS QB 108 LYS QE 3.98 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, igr1=1669,1670, igr2=1678,1679, &end # # 108 LYS QB 109 ASN H 4.25 &rst ixpk= 0, nxpk= 0, iat= -1,1687, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr1=1669,1670, &end # # 109 ASN H 109 ASN QB 3.33 &rst ixpk= 0, nxpk= 0, iat=1687, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, igr2=1691,1692, &end # # 109 ASN H 109 ASN QD2 5.34 &rst ixpk= 0, nxpk= 0, iat=1687, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2=1696,1697, &end # # 109 ASN QB 110 ASP H 3.84 &rst ixpk= 0, nxpk= 0, iat= -1,1701, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, igr1=1691,1692, &end # # 110 ASP QB 111 SER H 3.52 &rst ixpk= 0, nxpk= 0, iat= -1,1713, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, igr1=1705,1706, &end # # 110 ASP QB 112 LYS H 5.34 &rst ixpk= 0, nxpk= 0, iat= -1,1724, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1=1705,1706, &end # # 112 LYS QB 113 PRO QB 5.13 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96, igr1=1728,1729, igr2=1753,1754, &end # # 113 PRO HD2 114 TRP QB 4.12 &rst ixpk= 0, nxpk= 0, iat=1747, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, igr2=1764,1765, &end # # 115 URA H2' 115 URA H5 4.90 &rst ixpk= 0, nxpk= 0, iat=1808,1798, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 115 URA H2' 115 URA H6 3.50 &rst ixpk= 0, nxpk= 0, iat=1808,1796, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 115 URA H4' 115 URA H6 4.90 &rst ixpk= 0, nxpk= 0, iat=1790,1796, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 115 URA Q5' 115 URA H6 4.50 &rst ixpk= 0, nxpk= 0, iat= -1,1796, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1787,1788, &end # # 115 URA H2' 116 URA H6 4.60 &rst ixpk= 0, nxpk= 0, iat=1808,1826, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 115 URA H3' 116 URA H5 4.80 &rst ixpk= 0, nxpk= 0, iat=1806,1828, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 115 URA H3' 116 URA H6 4.70 &rst ixpk= 0, nxpk= 0, iat=1806,1826, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 116 URA Q5' 116 URA H2' 4.20 &rst ixpk= 0, nxpk= 0, iat= -1,1838, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, igr1=1817,1818, &end # # 116 URA Q5' 116 URA H3' 3.60 &rst ixpk= 0, nxpk= 0, iat= -1,1836, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, igr1=1817,1818, &end # # 116 URA Q5' 116 URA H1' 4.80 &rst ixpk= 0, nxpk= 0, iat= -1,1823, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr1=1817,1818, &end # # 116 URA H2' 116 URA H5 4.50 &rst ixpk= 0, nxpk= 0, iat=1838,1828, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 116 URA H2' 116 URA H6 3.50 &rst ixpk= 0, nxpk= 0, iat=1838,1826, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 116 URA H3' 116 URA H6 4.20 &rst ixpk= 0, nxpk= 0, iat=1836,1826, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 116 URA H4' 116 URA H6 4.80 &rst ixpk= 0, nxpk= 0, iat=1820,1826, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 116 URA Q5' 116 URA H6 4.80 &rst ixpk= 0, nxpk= 0, iat= -1,1826, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr1=1817,1818, &end # # 117 URA Q5' 117 URA H1' 4.70 &rst ixpk= 0, nxpk= 0, iat= -1,1853, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr1=1847,1848, &end # # 117 URA H2' 117 URA H5 5.00 &rst ixpk= 0, nxpk= 0, iat=1868,1858, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 117 URA H2' 117 URA H6 3.50 &rst ixpk= 0, nxpk= 0, iat=1868,1856, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 117 URA H4' 117 URA H6 4.50 &rst ixpk= 0, nxpk= 0, iat=1850,1856, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 117 URA H3' 117 URA H6 4.30 &rst ixpk= 0, nxpk= 0, iat=1866,1856, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end # # 117 URA Q5' 117 URA H6 4.80 &rst ixpk= 0, nxpk= 0, iat= -1,1856, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr1=1847,1848, &end # # 117 URA H1' 118 RADE H8 5.10 &rst ixpk= 0, nxpk= 0, iat=1853,1886, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 117 URA H2' 118 RADE H8 5.50 &rst ixpk= 0, nxpk= 0, iat=1868,1886, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 117 URA H4' 118 RADE H8 5.50 &rst ixpk= 0, nxpk= 0, iat=1850,1886, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 117 URA H3' 118 RADE H8 4.70 &rst ixpk= 0, nxpk= 0, iat=1866,1886, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 118 RADE H1' 118 RADE H2 5.80 &rst ixpk= 0, nxpk= 0, iat=1883,1895, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 118 RADE H2' 118 RADE H8 3.80 &rst ixpk= 0, nxpk= 0, iat=1901,1886, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end # # 118 RADE H3' 118 RADE H8 4.80 &rst ixpk= 0, nxpk= 0, iat=1899,1886, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 118 RADE H4' 118 RADE H8 4.90 &rst ixpk= 0, nxpk= 0, iat=1880,1886, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 118 RADE Q5' 118 RADE H1' 4.50 &rst ixpk= 0, nxpk= 0, iat= -1,1883, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1877,1878, &end # # 118 RADE Q5' 118 RADE H8 4.50 &rst ixpk= 0, nxpk= 0, iat= -1,1886, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1877,1878, &end # # 118 RADE H2 119 RADE H1' 6.00 &rst ixpk= 0, nxpk= 0, iat=1895,1916, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 118 RADE H1' 119 RADE H8 5.50 &rst ixpk= 0, nxpk= 0, iat=1883,1919, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 118 RADE H2' 119 RADE H8 4.70 &rst ixpk= 0, nxpk= 0, iat=1901,1919, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 118 RADE H3' 119 RADE H8 5.20 &rst ixpk= 0, nxpk= 0, iat=1899,1919, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 119 RADE H1' 119 RADE H2 5.60 &rst ixpk= 0, nxpk= 0, iat=1916,1928, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end # # 119 RADE H2' 119 RADE H8 3.70 &rst ixpk= 0, nxpk= 0, iat=1934,1919, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 119 RADE H3' 119 RADE H8 3.90 &rst ixpk= 0, nxpk= 0, iat=1932,1919, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end # # 119 RADE H4' 119 RADE H8 4.90 &rst ixpk= 0, nxpk= 0, iat=1913,1919, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 119 RADE Q5' 119 RADE H1' 4.80 &rst ixpk= 0, nxpk= 0, iat= -1,1916, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr1=1910,1911, &end # # 119 RADE Q5' 119 RADE H8 4.80 &rst ixpk= 0, nxpk= 0, iat= -1,1919, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr1=1910,1911, &end # # 115 URA Q5' 115 URA H2' 5.20 &rst ixpk= 0, nxpk= 0, iat= -1,1808, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr1=1787,1788, &end # # 115 URA Q5' 115 URA H1' 6.10 &rst ixpk= 0, nxpk= 0, iat= -1,1793, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35, igr1=1787,1788, &end # # 115 URA H4' 116 URA H5 5.50 &rst ixpk= 0, nxpk= 0, iat=1790,1828, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 115 URA H2' 116 URA H5 5.00 &rst ixpk= 0, nxpk= 0, iat=1808,1828, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 115 URA Q5' 116 URA H5 5.60 &rst ixpk= 0, nxpk= 0, iat= -1,1828, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79, igr1=1787,1788, &end # # 116 URA H1' 117 URA H6 5.10 &rst ixpk= 0, nxpk= 0, iat=1823,1856, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 118 RADE H2' 119 RADE H1' 5.50 &rst ixpk= 0, nxpk= 0, iat=1901,1916, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 118 RADE H1' 119 RADE H2' 6.00 &rst ixpk= 0, nxpk= 0, iat=1883,1934, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 118 RADE H1' 119 RADE Q5' 4.70 &rst ixpk= 0, nxpk= 0, iat=1883, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr2=1910,1911, &end # # 119 RADE Q5' 119 RADE H2' 4.00 &rst ixpk= 0, nxpk= 0, iat= -1,1934, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1=1910,1911, &end # # 119 RADE Q5' 119 RADE H3' 3.30 &rst ixpk= 0, nxpk= 0, iat= -1,1932, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, igr1=1910,1911, &end # # 34 TYR QD 116 URA H5 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1828, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 493, 502, &end # # 101 LYS QD 116 URA H5 6.40 &rst ixpk= 0, nxpk= 0, iat= -1,1828, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68, igr1=1544,1545, &end # # 106 ARG QD 117 URA H5 6.40 &rst ixpk= 0, nxpk= 0, iat= -1,1858, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68, igr1=1640,1641, &end # # 106 ARG QG 117 URA H5 6.00 &rst ixpk= 0, nxpk= 0, iat= -1,1858, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1637,1638, &end # # 59 LYS QD 118 RADE H1' 6.00 &rst ixpk= 0, nxpk= 0, iat= -1,1883, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 887, 888, &end # # 61 PHE QE 119 RADE H1' 5.10 &rst ixpk= 0, nxpk= 0, iat= -1,1916, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, igr1= 925, 929, &end # # 35 HIP HD2 116 URA H5 5.80 &rst ixpk= 0, nxpk= 0, iat= 520,1828, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 72 PHE QE 116 URA H1' 5.10 &rst ixpk= 0, nxpk= 0, iat= -1,1823, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, igr1=1106,1110, &end # # 72 PHE QD 116 URA Q5' 5.70 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68, igr1=1104,1112, igr2=1817,1818, &end # # 32 PHE QE 117 URA H2' 4.80 &rst ixpk= 0, nxpk= 0, iat= -1,1868, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr1= 456, 460, &end # # 32 PHE QE 117 URA H4' 4.40 &rst ixpk= 0, nxpk= 0, iat= -1,1850, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, igr1= 456, 460, &end # # 106 ARG QD 117 URA H1' 5.30 &rst ixpk= 0, nxpk= 0, iat= -1,1853, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, igr1=1640,1641, &end # # 106 ARG QG 117 URA H1' 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1853, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1637,1638, &end # # 59 LYS QG 118 RADE H2 5.90 &rst ixpk= 0, nxpk= 0, iat= -1,1895, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, igr1= 884, 885, &end # # 59 LYS QE 118 RADE H2 5.30 &rst ixpk= 0, nxpk= 0, iat= -1,1895, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, igr1= 890, 891, &end # # 74 PHE QD 118 RADE H1' 5.20 &rst ixpk= 0, nxpk= 0, iat= -1,1883, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr1=1131,1139, &end # # 61 PHE QD 118 RADE H4' 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1880, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 923, 931, &end # # 61 PHE QE 118 RADE Q5' 5.30 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18, igr1= 925, 929, igr2=1877,1878, &end # # 61 PHE QE 118 RADE H4' 4.90 &rst ixpk= 0, nxpk= 0, iat= -1,1880, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr1= 925, 929, &end # # 59 LYS QB 119 RADE H2 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1928, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 881, 882, &end # # 61 PHE QE 119 RADE H2' 5.60 &rst ixpk= 0, nxpk= 0, iat= -1,1934, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79, igr1= 925, 929, &end # # 101 LYS QE 115 URA H1' 4.40 &rst ixpk= 0, nxpk= 0, iat= -1,1793, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, igr1=1547,1548, &end # # 32 PHE QE 116 URA H1' 4.90 &rst ixpk= 0, nxpk= 0, iat= -1,1823, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr1= 456, 460, &end # # 34 TYR QE 116 URA H5 5.70 &rst ixpk= 0, nxpk= 0, iat= -1,1828, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, igr1= 495, 500, &end # # 72 PHE HZ 116 URA H4' 4.90 &rst ixpk= 0, nxpk= 0, iat=1108,1820, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 72 PHE QD 116 URA H4' 4.60 &rst ixpk= 0, nxpk= 0, iat= -1,1820, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr1=1104,1112, &end # # 72 PHE QE 116 URA H4' 4.40 &rst ixpk= 0, nxpk= 0, iat= -1,1820, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, igr1=1106,1110, &end # # 72 PHE HZ 116 URA Q5' 5.80 &rst ixpk= 0, nxpk= 0, iat=1108, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, igr2=1817,1818, &end # # 72 PHE QE 116 URA Q5' 5.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56, igr1=1106,1110, igr2=1817,1818, &end # # 32 PHE QD 117 URA H1' 5.20 &rst ixpk= 0, nxpk= 0, iat= -1,1853, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr1= 454, 462, &end # # 32 PHE QE 117 URA H5 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1858, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 456, 460, &end # # 32 PHE QE 117 URA H1' 4.40 &rst ixpk= 0, nxpk= 0, iat= -1,1853, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, igr1= 456, 460, &end # # 59 LYS QB 118 RADE H2 4.80 &rst ixpk= 0, nxpk= 0, iat= -1,1895, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr1= 881, 882, &end # # 61 PHE QE 118 RADE H1' 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1883, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 925, 929, &end # # 59 LYS QE 119 RADE H2 5.70 &rst ixpk= 0, nxpk= 0, iat= -1,1928, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, igr1= 890, 891, &end # # 61 PHE HA 119 RADE H2 5.40 &rst ixpk= 0, nxpk= 0, iat= 917,1928, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 61 PHE QE 119 RADE H4' 5.20 &rst ixpk= 0, nxpk= 0, iat= -1,1913, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr1= 925, 929, &end # # 61 PHE QD 119 RADE Q5' 6.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1= 923, 931, igr2=1910,1911, &end # # 34 TYR QE 117 URA H4' 5.60 &rst ixpk= 0, nxpk= 0, iat= -1,1850, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79, igr1= 495, 500, &end # # 61 PHE QE 119 RADE Q5' 6.10 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19, igr1= 925, 929, igr2=1910,1911, &end # # 61 PHE QD 119 RADE H8 6.10 &rst ixpk= 0, nxpk= 0, iat= -1,1919, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35, igr1= 923, 931, &end # # 74 PHE QD 118 RADE H8 6.30 &rst ixpk= 0, nxpk= 0, iat= -1,1886, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57, igr1=1131,1139, &end # # 98 LYS QD 115 URA H5 6.30 &rst ixpk= 0, nxpk= 0, iat= -1,1798, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57, igr1=1479,1480, &end # # 98 LYS QE 115 URA H1' 4.30 &rst ixpk= 0, nxpk= 0, iat= -1,1793, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr1=1482,1483, &end # # 98 LYS QE 115 URA H4' 5.20 &rst ixpk= 0, nxpk= 0, iat= -1,1790, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr1=1482,1483, &end # # 101 LYS QD 115 URA H1' 5.30 &rst ixpk= 0, nxpk= 0, iat= -1,1793, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, igr1=1544,1545, &end # # 101 LYS QE 116 URA Q5' 5.20 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05, igr1=1547,1548, igr2=1817,1818, &end # # 106 ARG QD 117 URA H2' 5.60 &rst ixpk= 0, nxpk= 0, iat= -1,1868, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79, igr1=1640,1641, &end # # 115 URA H4' 116 URA H6 5.10 &rst ixpk= 0, nxpk= 0, iat=1790,1826, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 116 URA H2' 117 URA H6 5.00 &rst ixpk= 0, nxpk= 0, iat=1838,1856, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 115 URA H1' 116 URA Q5' 5.50 &rst ixpk= 0, nxpk= 0, iat=1793, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1817,1818, &end # # 118 RADE H1' 119 RADE H4' 6.00 &rst ixpk= 0, nxpk= 0, iat=1883,1913, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 32 PHE QB 117 URA H5 5.60 &rst ixpk= 0, nxpk= 0, iat= -1,1858, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79, igr1= 450, 451, &end #
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