NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
604401 | 2n7a | 25798 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
# # 137 LEU HA 139 HIS H 5.22 &rst ixpk= 0, nxpk= 0, iat=2152,2183, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, rk2=20, rk3=20, ir6=1, ialtd=0, &end # # 2 GLU HA 4 ASP H 4.79 &rst ixpk= 0, nxpk= 0, iat= 23, 43, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end # # 48 GLY HA2 49 TYR QD 3.90 &rst ixpk= 0, nxpk= 0, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, igr2= 722, 731, &end # # 50 TRP H 62 PRO HB3 4.28 &rst ixpk= 0, nxpk= 0, iat= 735, 938, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end # # 51 PHE QE 61 ALA HA 5.13 &rst ixpk= 0, nxpk= 0, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, igr1= 769, 773, &end # # 80 PHE HA 81 GLN HB3 5.16 &rst ixpk= 0, nxpk= 0, iat=1199,1222, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end # # 82 LEU HA 82 LEU HG 3.81 &rst ixpk= 0, nxpk= 0, iat=1236,1241, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end # # 110 LEU HB2 119 TYR QE 4.16 &rst ixpk= 0, nxpk= 0, iat=1698, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, igr2=1854,1859, &end # # 126 LYS QE 128 LYS H 5.80 &rst ixpk= 0, nxpk= 0, iat= -1,2005, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, igr1=1982,1983, &end # # 19 VAL QG2 29 VAL HA 4.34 &rst ixpk= 0, nxpk= 0, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, igr1= 296, 297, 298, &end # # 52 ARG H 63 VAL QG1 3.72 &rst ixpk= 0, nxpk= 0, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr2= 950, 951, 952, &end # # 100 LYS HA 103 LYS HB2 3.97 &rst ixpk= 0, nxpk= 0, iat=1513,1573, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end # # 122 GLN QB 123 LEU HG 5.78 &rst ixpk= 0, nxpk= 0, iat= -1,1922, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1=1902,1903, &end # # 34 SER HA 35 TYR QE 4.74 &rst ixpk= 0, nxpk= 0, iat= 507, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, igr2= 526, 531, &end # # 102 ASP HB2 103 LYS HA 4.94 &rst ixpk= 0, nxpk= 0, iat=1561,1571, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end # # 20 THR QG2 133 PHE HB2 3.55 &rst ixpk= 0, nxpk= 0, iat= -1,2094, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, igr1= 308, 309, 310, &end # # 28 HIS HE1 83 LEU HB3 5.57 &rst ixpk= 0, nxpk= 0, iat= 426,1258, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end # # 67 ASN HD22 69 ASP HB2 5.07 &rst ixpk= 0, nxpk= 0, iat=1007,1030, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end # # 80 PHE QD 95 ILE HG13 4.93 &rst ixpk= 0, nxpk= 0, iat= -1,1433, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1=1205,1213, &end # # 80 PHE QE 95 ILE HG13 5.19 &rst ixpk= 0, nxpk= 0, iat= -1,1433, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, igr1=1207,1211, &end # # 95 ILE QG2 134 VAL QG2 4.41 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=1428,1429,1430, igr2=2120,2121,2122, &end # # 128 LYS H 129 GLN HG3 5.50 &rst ixpk= 0, nxpk= 0, iat=2005,2035, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 15 VAL QG2 131 SER H 5.80 &rst ixpk= 0, nxpk= 0, iat= -1,2063, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, igr1= 229, 230, 231, &end # # 80 PHE QE 95 ILE HG12 4.80 &rst ixpk= 0, nxpk= 0, iat= -1,1432, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr1=1207,1211, &end # # 96 ARG QG 97 ASP H 4.68 &rst ixpk= 0, nxpk= 0, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, igr1=1448,1449, &end # # 100 LYS QB 100 LYS QD 2.82 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, igr1=1515,1516, igr2=1521,1522, &end # # 29 VAL QG1 30 PRO HD2 4.08 &rst ixpk= 0, nxpk= 0, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, igr1= 440, 441, 442, &end # # 62 PRO HD2 73 GLN HG2 5.03 &rst ixpk= 0, nxpk= 0, iat= 931,1100, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end # # 93 LEU HA 93 LEU QD1 3.92 &rst ixpk= 0, nxpk= 0, iat=1394, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, igr2=1401,1402,1403, &end # # 96 ARG QG 97 ASP HA 4.86 &rst ixpk= 0, nxpk= 0, iat= -1,1467, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, igr1=1448,1449, &end # # 109 ARG HG2 117 TRP H 5.11 &rst ixpk= 0, nxpk= 0, iat=1677,1809, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end # # 110 LEU H 117 TRP HB3 4.47 &rst ixpk= 0, nxpk= 0, iat=1694,1814, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end # # 14 GLN HA 14 GLN HG2 4.05 &rst ixpk= 0, nxpk= 0, iat= 204, 209, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end # # 20 THR QG2 134 VAL HA 4.14 &rst ixpk= 0, nxpk= 0, iat= -1,2112, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr1= 308, 309, 310, &end # # 46 VAL HA 110 LEU QD1 4.97 &rst ixpk= 0, nxpk= 0, iat= 676, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, igr2=1703,1704,1705, &end # # 47 HIS HD2 67 ASN HA 4.39 &rst ixpk= 0, nxpk= 0, iat= 703,1000, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end # # 48 GLY HA2 109 ARG H 5.03 &rst ixpk= 0, nxpk= 0, iat= 709,1670, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end # # 73 GLN HG2 74 ALA H 5.09 &rst ixpk= 0, nxpk= 0, iat=1100,1110, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end # # 80 PHE QE 102 ASP HA 4.86 &rst ixpk= 0, nxpk= 0, iat= -1,1559, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, igr1=1207,1211, &end # # 93 LEU HG 94 SER QB 5.47 &rst ixpk= 0, nxpk= 0, iat=1399, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64, igr2=1415,1416, &end # # 103 LYS HB2 134 VAL HA 5.16 &rst ixpk= 0, nxpk= 0, iat=1573,2112, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end # # 122 GLN HG3 125 TYR QE 5.52 &rst ixpk= 0, nxpk= 0, iat=1906, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, igr2=1958,1963, &end # # 12 LEU HB3 12 LEU QD1 2.94 &rst ixpk= 0, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2= 173, 174, 175, &end # # 32 SER HA 33 PHE HB3 5.45 &rst ixpk= 0, nxpk= 0, iat= 476, 490, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end # # 48 GLY H 111 GLU H 5.64 &rst ixpk= 0, nxpk= 0, iat= 707,1713, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end # # 50 TRP HZ3 106 TYR HB2 5.31 &rst ixpk= 0, nxpk= 0, iat= 752,1613, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end # # 67 ASN H 82 LEU QD1 4.73 &rst ixpk= 0, nxpk= 0, iat= 998, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr2=1243,1244,1245, &end # # 67 ASN HB2 68 PRO HD2 4.98 &rst ixpk= 0, nxpk= 0, iat=1002,1013, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end # # 105 SER H 132 VAL HB 5.80 &rst ixpk= 0, nxpk= 0, iat=1598,2078, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 105 SER HA 129 GLN HB3 5.80 &rst ixpk= 0, nxpk= 0, iat=1600,2032, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 107 PHE HA 107 PHE QD 5.36 &rst ixpk= 0, nxpk= 0, iat=1632, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, igr2=1638,1646, &end # # 107 PHE HA 130 LEU HB3 5.35 &rst ixpk= 0, nxpk= 0, iat=1632,2049, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end # # 137 LEU QD2 141 SER QB 4.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=2163,2164,2165, igr2=2211,2212, &end # # 13 LEU H 14 GLN HA 4.98 &rst ixpk= 0, nxpk= 0, iat= 183, 204, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end # # 33 PHE H 89 ASN HB2 4.55 &rst ixpk= 0, nxpk= 0, iat= 485,1349, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end # # 48 GLY HA3 111 GLU H 4.87 &rst ixpk= 0, nxpk= 0, iat= 710,1713, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end # # 49 TYR H 110 LEU HA 5.00 &rst ixpk= 0, nxpk= 0, iat= 714,1696, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 50 TRP HE3 130 LEU HG 5.52 &rst ixpk= 0, nxpk= 0, iat= 754,2051, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end # # 50 TRP HH2 107 PHE HA 5.16 &rst ixpk= 0, nxpk= 0, iat= 750,1632, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end # # 85 ASP H 88 SER HB2 4.71 &rst ixpk= 0, nxpk= 0, iat=1279,1338, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end # # 100 LYS QB 101 ARG H 3.59 &rst ixpk= 0, nxpk= 0, iat= -1,1533, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, igr1=1515,1516, &end # # 102 ASP HB2 103 LYS HB2 5.10 &rst ixpk= 0, nxpk= 0, iat=1561,1573, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 115 MET QE 117 TRP HB3 4.84 &rst ixpk= 0, nxpk= 0, iat= -1,1814, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, igr1=1781,1782,1783, &end # # 122 GLN HE22 123 LEU QD2 5.69 &rst ixpk= 0, nxpk= 0, iat=1910, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33, igr2=1928,1929,1930, &end # # 126 LYS QD 127 THR HA 4.49 &rst ixpk= 0, nxpk= 0, iat= -1,1993, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr1=1979,1980, &end # # 13 LEU QD2 17 GLU QG 5.54 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97, igr1= 196, 197, 198, igr2= 259, 260, &end # # 22 GLN HE21 137 LEU QD2 3.79 &rst ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, igr2=2163,2164,2165, &end # # 49 TYR QD 62 PRO HD3 4.83 &rst ixpk= 0, nxpk= 0, iat= -1, 932, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, igr1= 722, 731, &end # # 50 TRP HB3 106 TYR QD 4.87 &rst ixpk= 0, nxpk= 0, iat= 740, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, igr2=1617,1626, &end # # 68 PRO HD2 69 ASP HB2 4.74 &rst ixpk= 0, nxpk= 0, iat=1013,1030, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end # # 98 ALA HA 134 VAL QG2 5.00 &rst ixpk= 0, nxpk= 0, iat=1479, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2=2120,2121,2122, &end # # 14 GLN HE21 128 LYS QE 4.72 &rst ixpk= 0, nxpk= 0, iat= 215, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr2=2018,2019, &end # # 22 GLN HE22 137 LEU QD2 4.41 &rst ixpk= 0, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr2=2163,2164,2165, &end # # 49 TYR QE 111 GLU HA 5.21 &rst ixpk= 0, nxpk= 0, iat= -1,1715, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, igr1= 724, 729, &end # # 122 GLN HG2 123 LEU QD2 5.65 &rst ixpk= 0, nxpk= 0, iat=1905, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29, igr2=1928,1929,1930, &end # # 139 HIS H 140 GLY H 4.68 &rst ixpk= 0, nxpk= 0, iat=2183,2200, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end # # 21 VAL QG1 98 ALA QB 3.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, igr1= 322, 323, 324, igr2=1481,1482,1483, &end # # 29 VAL H 30 PRO HD2 5.16 &rst ixpk= 0, nxpk= 0, iat= 434, 451, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end # # 29 VAL H 92 SER HB3 5.56 &rst ixpk= 0, nxpk= 0, iat= 434,1386, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end # # 49 TYR H 108 PHE HZ 5.44 &rst ixpk= 0, nxpk= 0, iat= 714,1662, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end # # 49 TYR QE 62 PRO HD3 5.80 &rst ixpk= 0, nxpk= 0, iat= -1, 932, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, igr1= 724, 729, &end # # 63 VAL HB 76 THR HB 4.72 &rst ixpk= 0, nxpk= 0, iat= 948,1139, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end # # 73 GLN HB3 76 THR QG2 4.82 &rst ixpk= 0, nxpk= 0, iat=1098, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, igr2=1141,1142,1143, &end # # 126 LYS HA 127 THR HB 5.48 &rst ixpk= 0, nxpk= 0, iat=1971,1995, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end # # 12 LEU H 34 SER HA 5.19 &rst ixpk= 0, nxpk= 0, iat= 164, 507, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end # # 141 SER QB 143 VAL H 4.59 &rst ixpk= 0, nxpk= 0, iat= -1,2237, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, igr1=2211,2212, &end # # 143 VAL H 144 PRO HD3 4.90 &rst ixpk= 0, nxpk= 0, iat=2237,2255, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 14 GLN H 32 SER HA 5.19 &rst ixpk= 0, nxpk= 0, iat= 202, 476, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end # # 33 PHE H 89 ASN HB3 4.55 &rst ixpk= 0, nxpk= 0, iat= 485,1350, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end # # 49 TYR HA 82 LEU HG 5.51 &rst ixpk= 0, nxpk= 0, iat= 716,1241, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end # # 52 ARG H 62 PRO HA 5.80 &rst ixpk= 0, nxpk= 0, iat= 779, 940, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 86 ILE QG2 90 ASP H 5.80 &rst ixpk= 0, nxpk= 0, iat= -1,1359, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, igr1=1297,1298,1299, &end # # 98 ALA QB 99 ARG HG3 5.67 &rst ixpk= 0, nxpk= 0, iat= -1,1495, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1481,1482,1483, &end # # 108 PHE H 129 GLN HA 5.23 &rst ixpk= 0, nxpk= 0, iat=1650,2029, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end # # 134 VAL QG1 135 THR HA 4.22 &rst ixpk= 0, nxpk= 0, iat= -1,2128, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, igr1=2116,2117,2118, &end # # 20 THR QG2 21 VAL H 3.22 &rst ixpk= 0, nxpk= 0, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, igr1= 308, 309, 310, &end # # 40 TRP QB 113 GLY HA2 4.49 &rst ixpk= 0, nxpk= 0, iat= -1,1754, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr1= 591, 592, &end # # 50 TRP HZ2 92 SER HA 5.36 &rst ixpk= 0, nxpk= 0, iat= 748,1383, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end # # 61 ALA QB 71 GLU HG3 4.21 &rst ixpk= 0, nxpk= 0, iat= -1,1070, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr1= 924, 925, 926, &end # # 63 VAL HB 64 ALA H 4.39 &rst ixpk= 0, nxpk= 0, iat= 948, 960, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end # # 67 ASN HD22 70 ARG H 4.30 &rst ixpk= 0, nxpk= 0, iat=1007,1038, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end # # 72 VAL QG2 77 GLN QG 3.69 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr1=1087,1088,1089, igr2=1156,1157, &end # # 74 ALA HA 75 GLU QG 5.58 &rst ixpk= 0, nxpk= 0, iat=1112, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76, igr2=1127,1128, &end # # 7 TYR HA 7 TYR QE 5.11 &rst ixpk= 0, nxpk= 0, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, igr2= 106, 111, &end # # 80 PHE HA 81 GLN HG3 5.31 &rst ixpk= 0, nxpk= 0, iat=1199,1225, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end # # 96 ARG QB 97 ASP HA 5.54 &rst ixpk= 0, nxpk= 0, iat= -1,1467, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72, igr1=1445,1446, &end # # 99 ARG H 132 VAL QG1 5.80 &rst ixpk= 0, nxpk= 0, iat=1487, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, igr2=2080,2081,2082, &end # # 106 TYR HA 107 PHE QD 4.73 &rst ixpk= 0, nxpk= 0, iat=1611, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, igr2=1638,1646, &end # # 43 SER HA 87 TRP HZ3 5.11 &rst ixpk= 0, nxpk= 0, iat= 639,1327, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end # # 49 TYR H 108 PHE HA 4.91 &rst ixpk= 0, nxpk= 0, iat= 714,1652, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end # # 7 TYR QD 117 TRP HH2 4.38 &rst ixpk= 0, nxpk= 0, iat= -1,1824, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr1= 104, 113, &end # # 96 ARG H 96 ARG QB 3.58 &rst ixpk= 0, nxpk= 0, iat=1441, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, igr2=1445,1446, &end # # 108 PHE H 119 TYR HB3 5.05 &rst ixpk= 0, nxpk= 0, iat=1650,1849, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end # # 109 ARG HA 109 ARG HD2 5.34 &rst ixpk= 0, nxpk= 0, iat=1672,1680, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end # # 48 GLY H 66 ASN H 4.66 &rst ixpk= 0, nxpk= 0, iat= 707, 984, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end # # 50 TRP HB2 93 LEU QD1 4.94 &rst ixpk= 0, nxpk= 0, iat= 739, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, igr2=1401,1402,1403, &end # # 50 TRP HZ3 130 LEU HG 4.64 &rst ixpk= 0, nxpk= 0, iat= 752,2051, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end # # 53 ALA HA 107 PHE QE 3.71 &rst ixpk= 0, nxpk= 0, iat= 805, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, igr2=1640,1644, &end # # 68 PRO HG2 69 ASP HB2 4.98 &rst ixpk= 0, nxpk= 0, iat=1016,1030, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end # # 7 TYR HA 7 TYR QD 3.40 &rst ixpk= 0, nxpk= 0, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, igr2= 104, 113, &end # # 80 PHE HB3 95 ILE HA 5.48 &rst ixpk= 0, nxpk= 0, iat=1202,1424, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end # # 83 LEU HB3 92 SER HB2 5.21 &rst ixpk= 0, nxpk= 0, iat=1258,1385, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end # # 83 LEU HG 92 SER HB2 5.50 &rst ixpk= 0, nxpk= 0, iat=1260,1385, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 95 ILE H 95 ILE HB 3.81 &rst ixpk= 0, nxpk= 0, iat=1422,1426, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end # # 106 TYR QD 130 LEU HG 4.76 &rst ixpk= 0, nxpk= 0, iat= -1,2051, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr1=1617,1626, &end # # 118 SER HB3 120 LYS HG2 5.04 &rst ixpk= 0, nxpk= 0, iat=1838,1872, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end # # 11 TYR QD 36 PRO HG3 4.66 &rst ixpk= 0, nxpk= 0, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, igr1= 151, 160, &end # # 13 LEU QD2 32 SER H 5.40 &rst ixpk= 0, nxpk= 0, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1= 196, 197, 198, &end # # 17 GLU HB2 18 LEU HA 5.80 &rst ixpk= 0, nxpk= 0, iat= 256, 269, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 28 HIS HD2 83 LEU HB2 4.69 &rst ixpk= 0, nxpk= 0, iat= 430,1257, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end # # 82 LEU HA 94 SER QB 5.50 &rst ixpk= 0, nxpk= 0, iat=1236, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1415,1416, &end # # 96 ARG H 97 ASP HB2 5.80 &rst ixpk= 0, nxpk= 0, iat=1441,1469, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 98 ALA QB 102 ASP HA 5.80 &rst ixpk= 0, nxpk= 0, iat= -1,1559, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, igr1=1481,1482,1483, &end # # 109 ARG QB 118 SER H 5.80 &rst ixpk= 0, nxpk= 0, iat= -1,1833, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, igr1=1674,1675, &end # # 33 PHE HA 35 TYR QD 5.51 &rst ixpk= 0, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68, igr2= 524, 533, &end # # 33 PHE QE 82 LEU QD1 5.80 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32, igr1= 495, 499, igr2=1243,1244,1245, &end # # 50 TRP HZ3 108 PHE HB3 5.80 &rst ixpk= 0, nxpk= 0, iat= 752,1655, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 51 PHE HB2 107 PHE QE 4.54 &rst ixpk= 0, nxpk= 0, iat= 763, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, igr2=1640,1644, &end # # 64 ALA H 82 LEU QD1 5.75 &rst ixpk= 0, nxpk= 0, iat= 960, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41, igr2=1243,1244,1245, &end # # 65 THR QG2 66 ASN HA 4.89 &rst ixpk= 0, nxpk= 0, iat= -1, 986, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, igr1= 976, 977, 978, &end # # 66 ASN HA 82 LEU QD1 5.15 &rst ixpk= 0, nxpk= 0, iat= 986, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68, igr2=1243,1244,1245, &end # # 85 ASP H 88 SER HB3 3.78 &rst ixpk= 0, nxpk= 0, iat=1279,1339, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end # # 129 GLN H 129 GLN HG3 3.89 &rst ixpk= 0, nxpk= 0, iat=2027,2035, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end # # 13 LEU H 14 GLN HE21 4.42 &rst ixpk= 0, nxpk= 0, iat= 183, 215, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end # # 26 SER HB2 27 VAL HA 4.80 &rst ixpk= 0, nxpk= 0, iat= 394, 403, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 28 HIS HD2 30 PRO HD3 4.03 &rst ixpk= 0, nxpk= 0, iat= 430, 452, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end # # 37 GLN HG2 40 TRP HH2 5.80 &rst ixpk= 0, nxpk= 0, iat= 558, 602, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 44 ASP H 87 TRP HZ3 5.04 &rst ixpk= 0, nxpk= 0, iat= 648,1327, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end # # 48 GLY H 86 ILE QD1 5.11 &rst ixpk= 0, nxpk= 0, iat= 707, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64, igr2=1304,1305,1306, &end # # 67 ASN HB3 68 PRO HD2 4.98 &rst ixpk= 0, nxpk= 0, iat=1003,1013, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end # # 83 LEU QD1 94 SER H 4.50 &rst ixpk= 0, nxpk= 0, iat= -1,1411, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1262,1263,1264, &end # # 107 PHE QD 108 PHE HB3 5.80 &rst ixpk= 0, nxpk= 0, iat= -1,1655, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, igr1=1638,1646, &end # # 134 VAL QG1 135 THR QG2 5.45 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr1=2116,2117,2118, igr2=2132,2133,2134, &end # # 137 LEU HA 137 LEU QD1 3.20 &rst ixpk= 0, nxpk= 0, iat=2152, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, igr2=2159,2160,2161, &end # # 137 LEU QD2 141 SER HA 4.69 &rst ixpk= 0, nxpk= 0, iat= -1,2209, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, igr1=2163,2164,2165, &end # # 15 VAL QG1 128 LYS QD 4.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 225, 226, 227, igr2=2015,2016, &end # # 18 LEU HG 20 THR QG2 5.21 &rst ixpk= 0, nxpk= 0, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76, igr2= 308, 309, 310, &end # # 20 THR QG2 21 VAL QG1 5.04 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77, igr1= 308, 309, 310, igr2= 322, 323, 324, &end # # 22 GLN HE22 137 LEU HB2 5.50 &rst ixpk= 0, nxpk= 0, iat= 344,2154, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 22 GLN HE22 137 LEU QD1 3.88 &rst ixpk= 0, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr2=2159,2160,2161, &end # # 23 GLU H 137 LEU HB3 5.80 &rst ixpk= 0, nxpk= 0, iat= 349,2155, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 23 GLU HG2 98 ALA QB 5.04 &rst ixpk= 0, nxpk= 0, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, igr2=1481,1482,1483, &end # # 33 PHE QD 108 PHE HB3 5.80 &rst ixpk= 0, nxpk= 0, iat= -1,1655, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, igr1= 493, 501, &end # # 49 TYR HB2 109 ARG H 4.63 &rst ixpk= 0, nxpk= 0, iat= 718,1670, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end # # 49 TYR HB2 51 PHE HZ 4.46 &rst ixpk= 0, nxpk= 0, iat= 718, 771, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end # # 63 VAL QG1 75 GLU QG 4.88 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08, igr1= 950, 951, 952, igr2=1127,1128, &end # # 79 ARG HA 96 ARG QB 3.98 &rst ixpk= 0, nxpk= 0, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr2=1445,1446, &end # # 80 PHE HZ 106 TYR QE 4.46 &rst ixpk= 0, nxpk= 0, iat=1209, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, igr2=1619,1624, &end # # 81 GLN H 93 LEU HG 5.80 &rst ixpk= 0, nxpk= 0, iat=1217,1399, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 94 SER HA 95 ILE HB 4.94 &rst ixpk= 0, nxpk= 0, iat=1413,1426, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end # # 102 ASP HB2 132 VAL QG1 4.22 &rst ixpk= 0, nxpk= 0, iat=1561, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, igr2=2080,2081,2082, &end # # 109 ARG HD2 110 LEU H 5.80 &rst ixpk= 0, nxpk= 0, iat=1680,1694, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 10 GLY HA3 11 TYR QE 5.80 &rst ixpk= 0, nxpk= 0, iat= 139, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, igr2= 153, 158, &end # # 110 LEU H 117 TRP HB2 5.80 &rst ixpk= 0, nxpk= 0, iat=1694,1813, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 112 ARG H 116 LYS H 5.80 &rst ixpk= 0, nxpk= 0, iat=1728,1787, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 117 TRP HD1 119 TYR H 4.72 &rst ixpk= 0, nxpk= 0, iat=1817,1844, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end # # 11 TYR QD 35 TYR HB2 5.39 &rst ixpk= 0, nxpk= 0, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, igr1= 151, 160, &end # # 123 LEU HG 124 ASN HD22 4.93 &rst ixpk= 0, nxpk= 0, iat=1922,1943, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end # # 135 THR QG2 136 ALA QB 3.73 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr1=2132,2133,2134, igr2=2144,2145,2146, &end # # 13 LEU QD1 107 PHE HA 5.43 &rst ixpk= 0, nxpk= 0, iat= -1,1632, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02, igr1= 192, 193, 194, &end # # 15 VAL QG1 31 CYX HB2 4.86 &rst ixpk= 0, nxpk= 0, iat= -1, 468, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr1= 225, 226, 227, &end # # 27 VAL HB 98 ALA QB 4.79 &rst ixpk= 0, nxpk= 0, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, igr2=1481,1482,1483, &end # # 47 HIS H 112 ARG H 5.80 &rst ixpk= 0, nxpk= 0, iat= 690,1728, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 68 PRO HB2 69 ASP H 4.48 &rst ixpk= 0, nxpk= 0, iat=1019,1026, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end # # 74 ALA QB 75 GLU HA 4.26 &rst ixpk= 0, nxpk= 0, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, igr1=1114,1115,1116, &end # # 79 ARG HB3 97 ASP HB3 5.42 &rst ixpk= 0, nxpk= 0, iat=1178,1470, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end # # 8 GLY HA3 11 TYR QE 5.80 &rst ixpk= 0, nxpk= 0, iat= 120, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, igr2= 153, 158, &end # # 96 ARG QB 97 ASP HB3 5.73 &rst ixpk= 0, nxpk= 0, iat= -1,1470, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93, igr1=1445,1446, &end # # 107 PHE QE 109 ARG HG3 4.79 &rst ixpk= 0, nxpk= 0, iat= -1,1678, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr1=1640,1644, &end # # 27 VAL QG2 30 PRO HD2 5.55 &rst ixpk= 0, nxpk= 0, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17, igr1= 411, 412, 413, &end # # 29 VAL QG1 130 LEU QD2 3.43 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1= 440, 441, 442, igr2=2057,2058,2059, &end # # 29 VAL QG1 50 TRP HH2 5.12 &rst ixpk= 0, nxpk= 0, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, igr1= 440, 441, 442, &end # # 50 TRP HB2 82 LEU QD2 4.50 &rst ixpk= 0, nxpk= 0, iat= 739, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1247,1248,1249, &end # # 52 ARG HB3 55 ASP H 5.30 &rst ixpk= 0, nxpk= 0, iat= 784, 820, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 57 PRO HD3 58 TYR QD 5.80 &rst ixpk= 0, nxpk= 0, iat= 858, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, igr2= 878, 887, &end # # 62 PRO QG 63 VAL H 5.38 &rst ixpk= 0, nxpk= 0, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, igr1= 934, 935, &end # # 63 VAL QG2 80 PHE HB3 4.46 &rst ixpk= 0, nxpk= 0, iat= -1,1202, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, igr1= 954, 955, 956, &end # # 64 ALA HA 81 GLN HA 4.89 &rst ixpk= 0, nxpk= 0, iat= 962,1219, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end # # 65 THR HA 82 LEU HG 4.95 &rst ixpk= 0, nxpk= 0, iat= 972,1241, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end # # 67 ASN HD22 69 ASP H 4.61 &rst ixpk= 0, nxpk= 0, iat=1007,1026, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end # # 83 LEU HB2 92 SER H 5.51 &rst ixpk= 0, nxpk= 0, iat=1257,1381, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end # # 95 ILE HB 132 VAL QG1 5.05 &rst ixpk= 0, nxpk= 0, iat=1426, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, igr2=2080,2081,2082, &end # # 98 ALA QB 132 VAL QG1 5.26 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.59, r4= 8.09, igr1=1481,1482,1483, igr2=2080,2081,2082, &end # # 17 GLU HA 130 LEU HB2 4.81 &rst ixpk= 0, nxpk= 0, iat= 254,2048, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end # # 65 THR H 66 ASN HA 5.40 &rst ixpk= 0, nxpk= 0, iat= 970, 986, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 66 ASN HA 82 LEU H 5.61 &rst ixpk= 0, nxpk= 0, iat= 986,1234, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end # # 82 LEU QD2 94 SER H 4.54 &rst ixpk= 0, nxpk= 0, iat= -1,1411, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, igr1=1247,1248,1249, &end # # 95 ILE HB 96 ARG HA 5.71 &rst ixpk= 0, nxpk= 0, iat=1426,1443, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end # # 96 ARG HA 98 ALA QB 5.80 &rst ixpk= 0, nxpk= 0, iat=1443, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, igr2=1481,1482,1483, &end # # 108 PHE HZ 110 LEU QD1 5.03 &rst ixpk= 0, nxpk= 0, iat=1662, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, igr2=1703,1704,1705, &end # # 110 LEU H 110 LEU QD1 4.77 &rst ixpk= 0, nxpk= 0, iat=1694, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, igr2=1703,1704,1705, &end # # 12 LEU QD2 14 GLN HE21 5.25 &rst ixpk= 0, nxpk= 0, iat= -1, 215, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1= 177, 178, 179, &end # # 134 VAL QG1 136 ALA HA 4.47 &rst ixpk= 0, nxpk= 0, iat= -1,2142, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr1=2116,2117,2118, &end # # 19 VAL QG1 133 PHE QD 5.44 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83, igr1= 292, 293, 294, igr2=2098,2106, &end # # 22 GLN HE21 139 HIS H 4.89 &rst ixpk= 0, nxpk= 0, iat= 345,2183, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end # # 28 HIS QB 29 VAL HA 5.13 &rst ixpk= 0, nxpk= 0, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, igr1= 421, 422, &end # # 65 THR HA 72 VAL QG1 4.83 &rst ixpk= 0, nxpk= 0, iat= 972, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr2=1083,1084,1085, &end # # 6 GLN HE22 9 ASP H 4.58 &rst ixpk= 0, nxpk= 0, iat= 91, 124, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end # # 79 ARG HA 96 ARG QD 4.20 &rst ixpk= 0, nxpk= 0, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, igr2=1451,1452, &end # # 79 ARG HB2 95 ILE QG2 5.50 &rst ixpk= 0, nxpk= 0, iat=1177, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1428,1429,1430, &end # # 81 GLN HE22 96 ARG QD 4.69 &rst ixpk= 0, nxpk= 0, iat=1229, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, igr2=1451,1452, &end # # 103 LYS HG3 134 VAL QG2 4.73 &rst ixpk= 0, nxpk= 0, iat=1577, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr2=2120,2121,2122, &end # # 105 SER HA 132 VAL HB 5.10 &rst ixpk= 0, nxpk= 0, iat=1600,2078, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 12 LEU HA 125 TYR QE 5.07 &rst ixpk= 0, nxpk= 0, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, igr2=1958,1963, &end # # 133 PHE H 134 VAL HA 5.13 &rst ixpk= 0, nxpk= 0, iat=2090,2112, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end # # 13 LEU H 128 LYS H 5.60 &rst ixpk= 0, nxpk= 0, iat= 183,2005, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end # # 13 LEU QD1 33 PHE QE 5.54 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97, igr1= 192, 193, 194, igr2= 495, 499, &end # # 141 SER HA 143 VAL H 5.44 &rst ixpk= 0, nxpk= 0, iat=2209,2237, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end # # 142 LEU H 142 LEU HB3 3.82 &rst ixpk= 0, nxpk= 0, iat=2218,2223, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end # # 14 GLN HA 128 LYS QD 4.70 &rst ixpk= 0, nxpk= 0, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr2=2015,2016, &end # # 17 GLU HA 128 LYS QD 4.95 &rst ixpk= 0, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr2=2015,2016, &end # # 20 THR HA 132 VAL QG1 4.17 &rst ixpk= 0, nxpk= 0, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, igr2=2080,2081,2082, &end # # 29 VAL H 95 ILE H 5.00 &rst ixpk= 0, nxpk= 0, iat= 434,1422, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 37 GLN HG3 40 TRP H 4.94 &rst ixpk= 0, nxpk= 0, iat= 559, 587, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end # # 51 PHE HA 63 VAL H 3.67 &rst ixpk= 0, nxpk= 0, iat= 761, 944, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end # # 53 ALA H 106 TYR H 4.87 &rst ixpk= 0, nxpk= 0, iat= 803,1609, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end # # 63 VAL HB 80 PHE QE 5.75 &rst ixpk= 0, nxpk= 0, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95, igr2=1207,1211, &end # # 63 VAL QG1 106 TYR QE 3.40 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr1= 950, 951, 952, igr2=1619,1624, &end # # 72 VAL H 72 VAL QG2 3.13 &rst ixpk= 0, nxpk= 0, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, igr2=1087,1088,1089, &end # # 80 PHE HZ 132 VAL QG2 4.31 &rst ixpk= 0, nxpk= 0, iat=1209, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, igr2=2084,2085,2086, &end # # 81 GLN HG2 96 ARG QD 5.14 &rst ixpk= 0, nxpk= 0, iat=1224, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, igr2=1451,1452, &end # # 8 GLY HA3 125 TYR QD 3.95 &rst ixpk= 0, nxpk= 0, iat= 120, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, igr2=1956,1965, &end # # 8 GLY HA3 9 ASP HA 5.33 &rst ixpk= 0, nxpk= 0, iat= 120, 126, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end # # 9 ASP HA 10 GLY HA3 5.68 &rst ixpk= 0, nxpk= 0, iat= 126, 139, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end # # 15 VAL QG1 129 GLN HA 4.02 &rst ixpk= 0, nxpk= 0, iat= -1,2029, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr1= 225, 226, 227, &end # # 15 VAL QG1 130 LEU HA 4.35 &rst ixpk= 0, nxpk= 0, iat= -1,2046, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr1= 225, 226, 227, &end # # 15 VAL QG1 130 LEU HB3 4.85 &rst ixpk= 0, nxpk= 0, iat= -1,2049, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, igr1= 225, 226, 227, &end # # 16 GLN QG 29 VAL QG1 3.91 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, igr1= 242, 243, igr2= 440, 441, 442, &end # # 34 SER HA 35 TYR QD 3.86 &rst ixpk= 0, nxpk= 0, iat= 507, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, igr2= 524, 533, &end # # 35 TYR QE 115 MET QE 4.84 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02, igr1= 526, 531, igr2=1781,1782,1783, &end # # 63 VAL QG1 73 GLN HG3 4.09 &rst ixpk= 0, nxpk= 0, iat= -1,1101, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, igr1= 950, 951, 952, &end # # 71 GLU H 72 VAL QG1 5.40 &rst ixpk= 0, nxpk= 0, iat=1062, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr2=1083,1084,1085, &end # # 73 GLN HB3 76 THR H 4.18 &rst ixpk= 0, nxpk= 0, iat=1098,1135, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end # # 7 TYR QD 123 LEU QD2 4.03 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr1= 104, 113, igr2=1928,1929,1930, &end # # 7 TYR QD 125 TYR HB3 4.10 &rst ixpk= 0, nxpk= 0, iat= -1,1953, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, igr1= 104, 113, &end # # 81 GLN H 81 GLN HE21 5.05 &rst ixpk= 0, nxpk= 0, iat=1217,1230, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end # # 81 GLN HG2 94 SER QB 4.74 &rst ixpk= 0, nxpk= 0, iat=1224, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, igr2=1415,1416, &end # # 109 ARG HA 109 ARG HG3 3.49 &rst ixpk= 0, nxpk= 0, iat=1672,1678, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end # # 117 TRP HA 118 SER H 3.06 &rst ixpk= 0, nxpk= 0, iat=1811,1833, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end # # 11 TYR HA 34 SER QB 4.85 &rst ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, igr2= 509, 510, &end # # 11 TYR QD 110 LEU QD2 4.55 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63, igr1= 151, 160, igr2=1707,1708,1709, &end # # 125 TYR HA 126 LYS H 3.03 &rst ixpk= 0, nxpk= 0, iat=1950,1969, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end # # 131 SER HA 132 VAL QG2 4.37 &rst ixpk= 0, nxpk= 0, iat=2065, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, igr2=2084,2085,2086, &end # # 13 LEU HA 14 GLN HE22 3.74 &rst ixpk= 0, nxpk= 0, iat= 185, 214, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end # # 15 VAL QG2 17 GLU QG 5.80 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32, igr1= 229, 230, 231, igr2= 259, 260, &end # # 49 TYR HB3 51 PHE HZ 4.27 &rst ixpk= 0, nxpk= 0, iat= 719, 771, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end # # 50 TRP HA 51 PHE HB2 5.49 &rst ixpk= 0, nxpk= 0, iat= 737, 763, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end # # 51 PHE HA 107 PHE H 5.02 &rst ixpk= 0, nxpk= 0, iat= 761,1630, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end # # 64 ALA HA 80 PHE H 5.80 &rst ixpk= 0, nxpk= 0, iat= 962,1197, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 67 ASN HA 68 PRO HG3 4.79 &rst ixpk= 0, nxpk= 0, iat=1000,1017, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end # # 80 PHE H 81 GLN HA 5.80 &rst ixpk= 0, nxpk= 0, iat=1197,1219, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 100 LYS H 100 LYS HG2 4.14 &rst ixpk= 0, nxpk= 0, iat=1511,1518, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end # # 107 PHE HA 108 PHE HA 5.04 &rst ixpk= 0, nxpk= 0, iat=1632,1652, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end # # 11 TYR HA 36 PRO HD2 4.85 &rst ixpk= 0, nxpk= 0, iat= 145, 538, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end # # 13 LEU HA 33 PHE H 5.18 &rst ixpk= 0, nxpk= 0, iat= 185, 485, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end # # 142 LEU QD2 144 PRO HD2 5.13 &rst ixpk= 0, nxpk= 0, iat= -1,2254, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, igr1=2231,2232,2233, &end # # 17 GLU QG 128 LYS QD 4.47 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, igr1= 259, 260, igr2=2015,2016, &end # # 22 GLN HE21 135 THR HB 4.80 &rst ixpk= 0, nxpk= 0, iat= 345,2130, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 22 GLN HG3 25 LEU HG 5.66 &rst ixpk= 0, nxpk= 0, iat= 340, 378, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end # # 31 CYX H 32 SER HA 5.20 &rst ixpk= 0, nxpk= 0, iat= 464, 476, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 47 HIS HB2 49 TYR QE 4.58 &rst ixpk= 0, nxpk= 0, iat= 694, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr2= 724, 729, &end # # 49 TYR HB3 65 THR HB 3.62 &rst ixpk= 0, nxpk= 0, iat= 719, 974, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end # # 49 TYR QE 70 ARG HD3 5.01 &rst ixpk= 0, nxpk= 0, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, igr1= 724, 729, &end # # 4 ASP H 5 ARG HG2 4.26 &rst ixpk= 0, nxpk= 0, iat= 43, 62, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end # # 50 TRP HB3 64 ALA QB 4.85 &rst ixpk= 0, nxpk= 0, iat= 740, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, igr2= 964, 965, 966, &end # # 63 VAL QG1 106 TYR QD 3.67 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1= 950, 951, 952, igr2=1617,1626, &end # # 66 ASN HB3 86 ILE QG2 4.55 &rst ixpk= 0, nxpk= 0, iat= 989, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, igr2=1297,1298,1299, &end # # 99 ARG HB3 100 LYS H 4.00 &rst ixpk= 0, nxpk= 0, iat=1492,1511, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 100 LYS HG2 100 LYS QE 3.73 &rst ixpk= 0, nxpk= 0, iat=1518, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, igr2=1524,1525, &end # # 100 LYS QE 137 LEU H 4.89 &rst ixpk= 0, nxpk= 0, iat= -1,2150, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, igr1=1524,1525, &end # # 102 ASP HB3 132 VAL QG1 5.02 &rst ixpk= 0, nxpk= 0, iat=1562, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr2=2080,2081,2082, &end # # 103 LYS HA 133 PHE QD 5.10 &rst ixpk= 0, nxpk= 0, iat=1571, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, igr2=2098,2106, &end # # 11 TYR HB2 119 TYR QE 4.65 &rst ixpk= 0, nxpk= 0, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr2=1854,1859, &end # # 127 THR QG2 129 GLN HG3 4.47 &rst ixpk= 0, nxpk= 0, iat= -1,2035, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr1=1997,1998,1999, &end # # 137 LEU HG 141 SER QB 5.05 &rst ixpk= 0, nxpk= 0, iat=2157, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr2=2211,2212, &end # # 15 VAL H 128 LYS QD 3.61 &rst ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, igr2=2015,2016, &end # # 16 GLN HB2 29 VAL QG1 3.42 &rst ixpk= 0, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr2= 440, 441, 442, &end # # 19 VAL H 133 PHE QE 5.25 &rst ixpk= 0, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, igr2=2100,2104, &end # # 19 VAL HB 20 THR HA 5.47 &rst ixpk= 0, nxpk= 0, iat= 290, 304, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end # # 21 VAL HB 98 ALA QB 4.65 &rst ixpk= 0, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr2=1481,1482,1483, &end # # 25 LEU HG 141 SER QB 4.73 &rst ixpk= 0, nxpk= 0, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, igr2=2211,2212, &end # # 45 PRO HA 87 TRP HZ2 4.73 &rst ixpk= 0, nxpk= 0, iat= 670,1323, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end # # 49 TYR HA 49 TYR QD 4.21 &rst ixpk= 0, nxpk= 0, iat= 716, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr2= 722, 731, &end # # 56 ARG QG 59 GLN HE22 4.88 &rst ixpk= 0, nxpk= 0, iat= -1, 903, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, igr1= 839, 840, &end # # 63 VAL H 72 VAL QG1 5.32 &rst ixpk= 0, nxpk= 0, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89, igr2=1083,1084,1085, &end # # 63 VAL QG2 80 PHE HZ 5.38 &rst ixpk= 0, nxpk= 0, iat= -1,1209, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96, igr1= 954, 955, 956, &end # # 64 ALA HA 65 THR QG2 4.45 &rst ixpk= 0, nxpk= 0, iat= 962, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr2= 976, 977, 978, &end # # 64 ALA HA 82 LEU QD2 4.87 &rst ixpk= 0, nxpk= 0, iat= 962, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, igr2=1247,1248,1249, &end # # 80 PHE QD 93 LEU QD1 3.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1205,1213, igr2=1401,1402,1403, &end # # 82 LEU H 83 LEU HA 5.39 &rst ixpk= 0, nxpk= 0, iat=1234,1255, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end # # 83 LEU HG 94 SER QB 3.98 &rst ixpk= 0, nxpk= 0, iat=1260, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr2=1415,1416, &end # # 100 LYS QD 134 VAL QG1 4.74 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89, igr1=1521,1522, igr2=2116,2117,2118, &end # # 110 LEU QD2 115 MET QE 3.23 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr1=1707,1708,1709, igr2=1781,1782,1783, &end # # 120 LYS HA 121 SER H 3.04 &rst ixpk= 0, nxpk= 0, iat=1867,1887, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end # # 120 LYS HA 125 TYR QE 5.23 &rst ixpk= 0, nxpk= 0, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, igr2=1958,1963, &end # # 16 GLN HE22 18 LEU QD1 6.00 &rst ixpk= 0, nxpk= 0, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr2= 276, 277, 278, &end # # 37 GLN HG3 40 TRP HH2 4.78 &rst ixpk= 0, nxpk= 0, iat= 559, 602, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end # # 50 TRP H 51 PHE HZ 5.03 &rst ixpk= 0, nxpk= 0, iat= 735, 771, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end # # 51 PHE HA 52 ARG HB2 4.65 &rst ixpk= 0, nxpk= 0, iat= 761, 783, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end # # 63 VAL HA 72 VAL HB 4.54 &rst ixpk= 0, nxpk= 0, iat= 946,1081, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end # # 63 VAL HB 80 PHE QD 4.28 &rst ixpk= 0, nxpk= 0, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr2=1205,1213, &end # # 81 GLN HG2 81 GLN HE21 3.41 &rst ixpk= 0, nxpk= 0, iat=1224,1230, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 8 GLY H 9 ASP H 3.23 &rst ixpk= 0, nxpk= 0, iat= 117, 124, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end # # 107 PHE QD 129 GLN HG2 4.92 &rst ixpk= 0, nxpk= 0, iat= -1,2034, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, igr1=1638,1646, &end # # 11 TYR QE 110 LEU QD2 4.56 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, igr1= 153, 158, igr2=1707,1708,1709, &end # # 15 VAL H 17 GLU H 5.52 &rst ixpk= 0, nxpk= 0, iat= 219, 252, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end # # 19 VAL QG2 29 VAL QG1 2.84 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, igr1= 296, 297, 298, igr2= 440, 441, 442, &end # # 28 HIS HD2 92 SER HB3 3.95 &rst ixpk= 0, nxpk= 0, iat= 430,1386, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end # # 33 PHE QE 108 PHE HZ 5.11 &rst ixpk= 0, nxpk= 0, iat= -1,1662, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, igr1= 495, 499, &end # # 51 PHE QD 109 ARG HD2 5.00 &rst ixpk= 0, nxpk= 0, iat= -1,1680, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1= 767, 775, &end # # 51 PHE QD 57 PRO HA 4.08 &rst ixpk= 0, nxpk= 0, iat= -1, 866, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr1= 767, 775, &end # # 71 GLU QB 77 GLN HE22 5.04 &rst ixpk= 0, nxpk= 0, iat= -1,1161, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, igr1=1066,1067, &end # # 77 GLN HA 77 GLN QG 3.32 &rst ixpk= 0, nxpk= 0, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, igr2=1156,1157, &end # # 103 LYS H 132 VAL QG1 4.86 &rst ixpk= 0, nxpk= 0, iat=1569, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr2=2080,2081,2082, &end # # 112 ARG HB3 112 ARG HE 5.02 &rst ixpk= 0, nxpk= 0, iat=1733,1741, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end # # 115 MET HA 116 LYS H 2.98 &rst ixpk= 0, nxpk= 0, iat=1772,1787, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end # # 123 LEU HB3 125 TYR H 5.80 &rst ixpk= 0, nxpk= 0, iat=1920,1948, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 132 VAL QG1 133 PHE HB3 5.29 &rst ixpk= 0, nxpk= 0, iat= -1,2095, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85, igr1=2080,2081,2082, &end # # 134 VAL QG1 135 THR HB 5.00 &rst ixpk= 0, nxpk= 0, iat= -1,2130, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=2116,2117,2118, &end # # 137 LEU HB2 137 LEU QD2 3.47 &rst ixpk= 0, nxpk= 0, iat=2154, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, igr2=2163,2164,2165, &end # # 142 LEU HA 143 VAL HB 5.30 &rst ixpk= 0, nxpk= 0, iat=2220,2241, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 142 LEU HB2 142 LEU QD1 3.71 &rst ixpk= 0, nxpk= 0, iat=2222, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, igr2=2227,2228,2229, &end # # 18 LEU HB2 133 PHE QD 5.80 &rst ixpk= 0, nxpk= 0, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, igr2=2098,2106, &end # # 19 VAL H 133 PHE QD 4.47 &rst ixpk= 0, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, igr2=2098,2106, &end # # 28 HIS HA 29 VAL QG2 3.98 &rst ixpk= 0, nxpk= 0, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, igr2= 444, 445, 446, &end # # 47 HIS HE1 68 PRO HD3 4.63 &rst ixpk= 0, nxpk= 0, iat= 699,1014, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end # # 51 PHE QD 107 PHE H 5.01 &rst ixpk= 0, nxpk= 0, iat= -1,1630, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, igr1= 767, 775, &end # # 58 TYR QD 59 GLN HB3 5.08 &rst ixpk= 0, nxpk= 0, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr1= 878, 887, &end # # 80 PHE HZ 102 ASP HB3 4.28 &rst ixpk= 0, nxpk= 0, iat=1209,1562, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end # # 81 GLN HE21 96 ARG QD 4.71 &rst ixpk= 0, nxpk= 0, iat=1230, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, igr2=1451,1452, &end # # 83 LEU QD1 94 SER QB 3.36 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1=1262,1263,1264, igr2=1415,1416, &end # # 86 ILE QD1 87 TRP HD1 4.30 &rst ixpk= 0, nxpk= 0, iat= -1,1318, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr1=1304,1305,1306, &end # # 95 ILE QD1 132 VAL QG1 3.75 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, igr1=1435,1436,1437, igr2=2080,2081,2082, &end # # 98 ALA H 99 ARG HG3 5.44 &rst ixpk= 0, nxpk= 0, iat=1477,1495, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end # # 100 LYS QB 100 LYS QE 3.99 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr1=1515,1516, igr2=1524,1525, &end # # 107 PHE HB3 129 GLN HE21 4.94 &rst ixpk= 0, nxpk= 0, iat=1635,2040, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end # # 107 PHE QD 119 TYR H 4.20 &rst ixpk= 0, nxpk= 0, iat= -1,1844, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, igr1=1638,1646, &end # # 110 LEU QD2 117 TRP H 4.34 &rst ixpk= 0, nxpk= 0, iat= -1,1809, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, igr1=1707,1708,1709, &end # # 112 ARG HB3 115 MET H 4.93 &rst ixpk= 0, nxpk= 0, iat=1733,1770, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end # # 127 THR HA 128 LYS H 3.25 &rst ixpk= 0, nxpk= 0, iat=1993,2005, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end # # 131 SER HB3 133 PHE QD 5.21 &rst ixpk= 0, nxpk= 0, iat=2068, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, igr2=2098,2106, &end # # 135 THR HA 136 ALA H 3.01 &rst ixpk= 0, nxpk= 0, iat=2128,2140, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end # # 137 LEU HB3 138 THR HA 4.88 &rst ixpk= 0, nxpk= 0, iat=2155,2171, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end # # 13 LEU QD1 108 PHE HB2 4.19 &rst ixpk= 0, nxpk= 0, iat= -1,1654, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr1= 192, 193, 194, &end # # 141 SER QB 143 VAL QG2 4.81 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98, igr1=2211,2212, igr2=2247,2248,2249, &end # # 17 GLU HB3 131 SER H 5.75 &rst ixpk= 0, nxpk= 0, iat= 257,2063, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end # # 19 VAL QG1 132 VAL QG1 3.01 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, igr1= 292, 293, 294, igr2=2080,2081,2082, &end # # 23 GLU HB2 134 VAL QG1 3.48 &rst ixpk= 0, nxpk= 0, iat= 353, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, igr2=2116,2117,2118, &end # # 23 GLU HB2 136 ALA QB 4.89 &rst ixpk= 0, nxpk= 0, iat= 353, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, igr2=2144,2145,2146, &end # # 30 PRO HA 31 CYX H 3.49 &rst ixpk= 0, nxpk= 0, iat= 460, 464, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end # # 31 CYX H 92 SER HA 3.67 &rst ixpk= 0, nxpk= 0, iat= 464,1383, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end # # 46 VAL HA 111 GLU H 5.63 &rst ixpk= 0, nxpk= 0, iat= 676,1713, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end # # 52 ARG HA 53 ALA QB 4.27 &rst ixpk= 0, nxpk= 0, iat= 781, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr2= 807, 808, 809, &end # # 56 ARG QG 58 TYR QE 5.18 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 839, 840, igr2= 880, 885, &end # # 58 TYR QD 59 GLN HA 4.47 &rst ixpk= 0, nxpk= 0, iat= -1, 893, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, igr1= 878, 887, &end # # 63 VAL HA 76 THR HB 5.08 &rst ixpk= 0, nxpk= 0, iat= 946,1139, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end # # 72 VAL QG1 80 PHE H 5.38 &rst ixpk= 0, nxpk= 0, iat= -1,1197, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96, igr1=1083,1084,1085, &end # # 75 GLU QB 76 THR H 4.86 &rst ixpk= 0, nxpk= 0, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, igr1=1124,1125, &end # # 76 THR QG2 80 PHE QD 3.76 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, igr1=1141,1142,1143, igr2=1205,1213, &end # # 76 THR QG2 80 PHE QE 4.02 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, igr1=1141,1142,1143, igr2=1207,1211, &end # # 81 GLN HA 82 LEU HB2 5.01 &rst ixpk= 0, nxpk= 0, iat=1219,1238, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end # # 82 LEU QD1 91 CYX HA 4.01 &rst ixpk= 0, nxpk= 0, iat= -1,1373, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, igr1=1243,1244,1245, &end # # 82 LEU QD1 91 CYX QB 4.51 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, igr1=1243,1244,1245, igr2=1375,1376, &end # # 82 LEU QD2 91 CYX QB 4.85 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04, igr1=1247,1248,1249, igr2=1375,1376, &end # # 85 ASP H 90 ASP HA 5.56 &rst ixpk= 0, nxpk= 0, iat=1279,1361, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end # # 101 ARG HA 101 ARG QG 4.20 &rst ixpk= 0, nxpk= 0, iat=1535, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, igr2=1540,1541, &end # # 105 SER HB3 129 GLN HB3 5.31 &rst ixpk= 0, nxpk= 0, iat=1603,2032, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end # # 10 GLY HA2 12 LEU QD1 4.92 &rst ixpk= 0, nxpk= 0, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, igr2= 173, 174, 175, &end # # 120 LYS HG3 120 LYS QE 3.47 &rst ixpk= 0, nxpk= 0, iat=1873, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, igr2=1878,1879, &end # # 126 LYS HG3 126 LYS QE 3.53 &rst ixpk= 0, nxpk= 0, iat=1977, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr2=1982,1983, &end # # 129 GLN HB3 131 SER H 5.80 &rst ixpk= 0, nxpk= 0, iat=2032,2063, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 12 LEU H 35 TYR HA 4.48 &rst ixpk= 0, nxpk= 0, iat= 164, 518, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end # # 131 SER HA 133 PHE QE 4.75 &rst ixpk= 0, nxpk= 0, iat=2065, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, igr2=2100,2104, &end # # 136 ALA HA 137 LEU H 2.70 &rst ixpk= 0, nxpk= 0, iat=2142,2150, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end # # 137 LEU QD2 142 LEU H 5.80 &rst ixpk= 0, nxpk= 0, iat= -1,2218, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, igr1=2163,2164,2165, &end # # 13 LEU HA 14 GLN QB 4.95 &rst ixpk= 0, nxpk= 0, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr2= 206, 207, &end # # 15 VAL QG2 17 GLU HA 5.48 &rst ixpk= 0, nxpk= 0, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08, igr1= 229, 230, 231, &end # # 15 VAL QG2 50 TRP HZ3 4.54 &rst ixpk= 0, nxpk= 0, iat= -1, 752, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, igr1= 229, 230, 231, &end # # 23 GLU HG3 100 LYS H 4.60 &rst ixpk= 0, nxpk= 0, iat= 357,1511, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 23 GLU HG2 134 VAL QG1 4.20 &rst ixpk= 0, nxpk= 0, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr2=2116,2117,2118, &end # # 24 GLY HA2 97 ASP HA 4.84 &rst ixpk= 0, nxpk= 0, iat= 366,1467, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end # # 33 PHE QD 35 TYR QE 3.74 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, igr1= 493, 501, igr2= 526, 531, &end # # 50 TRP HD1 93 LEU QD2 4.68 &rst ixpk= 0, nxpk= 0, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, igr2=1405,1406,1407, &end # # 50 TRP HE3 106 TYR HB3 4.09 &rst ixpk= 0, nxpk= 0, iat= 754,1614, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end # # 50 TRP HH2 108 PHE H 4.51 &rst ixpk= 0, nxpk= 0, iat= 750,1650, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end # # 5 ARG H 5 ARG QD 5.01 &rst ixpk= 0, nxpk= 0, iat= 55, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, igr2= 65, 66, &end # # 65 THR QG2 70 ARG H 4.62 &rst ixpk= 0, nxpk= 0, iat= -1,1038, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, igr1= 976, 977, 978, &end # # 6 GLN HA 7 TYR H 2.97 &rst ixpk= 0, nxpk= 0, iat= 81, 96, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end # # 79 ARG HB3 80 PHE QD 4.05 &rst ixpk= 0, nxpk= 0, iat=1178, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, igr2=1205,1213, &end # # 79 ARG QG 80 PHE QD 5.22 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08, igr1=1180,1181, igr2=1205,1213, &end # # 81 GLN HG3 82 LEU H 4.36 &rst ixpk= 0, nxpk= 0, iat=1225,1234, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end # # 86 ILE HA 90 ASP H 4.64 &rst ixpk= 0, nxpk= 0, iat=1293,1359, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end # # 8 GLY HA2 117 TRP HZ3 5.07 &rst ixpk= 0, nxpk= 0, iat= 119,1826, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end # # 103 LYS HA 132 VAL QG1 3.74 &rst ixpk= 0, nxpk= 0, iat=1571, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr2=2080,2081,2082, &end # # 107 PHE H 129 GLN HG2 5.32 &rst ixpk= 0, nxpk= 0, iat=1630,2034, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end # # 117 TRP H 117 TRP HB2 4.16 &rst ixpk= 0, nxpk= 0, iat=1809,1813, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end # # 119 TYR HB2 127 THR QG2 4.92 &rst ixpk= 0, nxpk= 0, iat=1848, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, igr2=1997,1998,1999, &end # # 135 THR HB 136 ALA H 5.06 &rst ixpk= 0, nxpk= 0, iat=2130,2140, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end # # 137 LEU H 137 LEU QD2 4.30 &rst ixpk= 0, nxpk= 0, iat=2150, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr2=2163,2164,2165, &end # # 137 LEU QD1 138 THR HA 4.85 &rst ixpk= 0, nxpk= 0, iat= -1,2171, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, igr1=2159,2160,2161, &end # # 20 THR HB 133 PHE H 5.80 &rst ixpk= 0, nxpk= 0, iat= 306,2090, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 21 VAL H 98 ALA QB 5.48 &rst ixpk= 0, nxpk= 0, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08, igr2=1481,1482,1483, &end # # 22 GLN QB 142 LEU HB2 4.46 &rst ixpk= 0, nxpk= 0, iat= -1,2222, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, igr1= 336, 337, &end # # 38 ASP H 39 GLY HA3 6.00 &rst ixpk= 0, nxpk= 0, iat= 568, 583, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 44 ASP HB2 114 SER H 5.80 &rst ixpk= 0, nxpk= 0, iat= 652,1759, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 44 ASP HB3 45 PRO HD3 5.27 &rst ixpk= 0, nxpk= 0, iat= 653, 662, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end # # 47 HIS H 111 GLU H 4.58 &rst ixpk= 0, nxpk= 0, iat= 690,1713, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end # # 47 HIS HE1 68 PRO HD2 4.91 &rst ixpk= 0, nxpk= 0, iat= 699,1013, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end # # 49 TYR HA 64 ALA H 5.09 &rst ixpk= 0, nxpk= 0, iat= 716, 960, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end # # 50 TRP HE3 63 VAL QG1 5.80 &rst ixpk= 0, nxpk= 0, iat= 754, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, igr2= 950, 951, 952, &end # # 50 TRP HE3 93 LEU HB2 5.80 &rst ixpk= 0, nxpk= 0, iat= 754,1396, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 51 PHE HZ 109 ARG HD3 4.43 &rst ixpk= 0, nxpk= 0, iat= 771,1681, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end # # 51 PHE QD 108 PHE HA 4.96 &rst ixpk= 0, nxpk= 0, iat= -1,1652, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr1= 767, 775, &end # # 52 ARG HA 105 SER H 4.88 &rst ixpk= 0, nxpk= 0, iat= 781,1598, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end # # 71 GLU HA 72 VAL QG1 3.75 &rst ixpk= 0, nxpk= 0, iat=1064, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr2=1083,1084,1085, &end # # 79 ARG HA 97 ASP HB2 5.46 &rst ixpk= 0, nxpk= 0, iat=1175,1469, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end # # 7 TYR HA 117 TRP HH2 4.90 &rst ixpk= 0, nxpk= 0, iat= 98,1824, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 80 PHE QD 95 ILE HA 4.46 &rst ixpk= 0, nxpk= 0, iat= -1,1424, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, igr1=1205,1213, &end # # 80 PHE QE 95 ILE HA 5.00 &rst ixpk= 0, nxpk= 0, iat= -1,1424, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1207,1211, &end # # 82 LEU QD2 83 LEU H 4.16 &rst ixpk= 0, nxpk= 0, iat= -1,1253, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1=1247,1248,1249, &end # # 8 GLY HA3 117 TRP HH2 4.49 &rst ixpk= 0, nxpk= 0, iat= 120,1824, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end # # 93 LEU HG 95 ILE HG13 4.86 &rst ixpk= 0, nxpk= 0, iat=1399,1433, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end # # 98 ALA QB 135 THR H 5.80 &rst ixpk= 0, nxpk= 0, iat= -1,2126, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, igr1=1481,1482,1483, &end # # 99 ARG QD 100 LYS H 5.80 &rst ixpk= 0, nxpk= 0, iat= -1,1511, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, igr1=1497,1498, &end # # 102 ASP HA 106 TYR HH 3.96 &rst ixpk= 0, nxpk= 0, iat=1559,1622, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end # # 106 TYR QE 132 VAL QG1 3.80 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, igr1=1619,1624, igr2=2080,2081,2082, &end # # 109 ARG H 109 ARG HG3 5.21 &rst ixpk= 0, nxpk= 0, iat=1670,1678, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end # # 113 GLY HA3 114 SER H 3.33 &rst ixpk= 0, nxpk= 0, iat=1755,1759, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end # # 117 TRP HZ2 125 TYR QD 4.27 &rst ixpk= 0, nxpk= 0, iat=1822, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, igr2=1956,1965, &end # # 11 TYR QD 35 TYR HB3 4.81 &rst ixpk= 0, nxpk= 0, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 151, 160, &end # # 129 GLN HA 129 GLN HG2 4.07 &rst ixpk= 0, nxpk= 0, iat=2029,2034, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end # # 132 VAL QG1 133 PHE HB2 4.83 &rst ixpk= 0, nxpk= 0, iat= -1,2094, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr1=2080,2081,2082, &end # # 15 VAL H 16 GLN HA 5.55 &rst ixpk= 0, nxpk= 0, iat= 219, 237, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end # # 16 GLN HA 17 GLU H 2.97 &rst ixpk= 0, nxpk= 0, iat= 237, 252, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end # # 16 GLN HE22 130 LEU QD1 5.34 &rst ixpk= 0, nxpk= 0, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91, igr2=2053,2054,2055, &end # # 1 MET QG 1 MET QE 3.86 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, igr1= 11, 12, igr2= 15, 16, 17, &end # # 21 VAL HA 21 VAL QG1 3.57 &rst ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, igr2= 322, 323, 324, &end # # 23 GLU HA 98 ALA QB 3.53 &rst ixpk= 0, nxpk= 0, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr2=1481,1482,1483, &end # # 29 VAL H 93 LEU QD2 5.60 &rst ixpk= 0, nxpk= 0, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2=1405,1406,1407, &end # # 40 TRP HD1 115 MET HB3 3.91 &rst ixpk= 0, nxpk= 0, iat= 595,1775, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end # # 47 HIS H 47 HIS HD2 5.80 &rst ixpk= 0, nxpk= 0, iat= 690, 703, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 47 HIS HD2 68 PRO HD2 5.32 &rst ixpk= 0, nxpk= 0, iat= 703,1013, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end # # 47 HIS HD2 86 ILE QG2 3.67 &rst ixpk= 0, nxpk= 0, iat= 703, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr2=1297,1298,1299, &end # # 50 TRP HE3 132 VAL QG2 5.80 &rst ixpk= 0, nxpk= 0, iat= 754, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, igr2=2084,2085,2086, &end # # 50 TRP HE3 52 ARG HA 5.78 &rst ixpk= 0, nxpk= 0, iat= 754, 781, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end # # 50 TRP HZ2 108 PHE HB3 4.48 &rst ixpk= 0, nxpk= 0, iat= 748,1655, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end # # 5 ARG QD 9 ASP HB2 4.83 &rst ixpk= 0, nxpk= 0, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, igr1= 65, 66, &end # # 63 VAL QG2 80 PHE QD 3.52 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, igr1= 954, 955, 956, igr2=1205,1213, &end # # 64 ALA H 80 PHE QD 4.71 &rst ixpk= 0, nxpk= 0, iat= 960, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, igr2=1205,1213, &end # # 65 THR QG2 72 VAL H 4.96 &rst ixpk= 0, nxpk= 0, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, igr1= 976, 977, 978, &end # # 6 GLN HG3 6 GLN HE21 3.18 &rst ixpk= 0, nxpk= 0, iat= 87, 92, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end # # 70 ARG HA 71 GLU HG2 4.87 &rst ixpk= 0, nxpk= 0, iat=1040,1069, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end # # 73 GLN HG2 73 GLN HE21 3.69 &rst ixpk= 0, nxpk= 0, iat=1100,1106, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end # # 80 PHE HB3 93 LEU QD2 5.13 &rst ixpk= 0, nxpk= 0, iat=1202, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, igr2=1405,1406,1407, &end # # 81 GLN H 95 ILE H 5.51 &rst ixpk= 0, nxpk= 0, iat=1217,1422, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end # # 83 LEU HB2 92 SER HB3 4.58 &rst ixpk= 0, nxpk= 0, iat=1257,1386, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end # # 86 ILE QD1 87 TRP HZ2 4.61 &rst ixpk= 0, nxpk= 0, iat= -1,1323, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr1=1304,1305,1306, &end # # 8 GLY HA3 117 TRP HZ2 4.21 &rst ixpk= 0, nxpk= 0, iat= 120,1822, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end # # 90 ASP HB3 92 SER HB2 5.07 &rst ixpk= 0, nxpk= 0, iat=1364,1385, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end # # 101 ARG HB3 102 ASP H 4.10 &rst ixpk= 0, nxpk= 0, iat=1538,1557, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 105 SER HA 106 TYR HB2 5.39 &rst ixpk= 0, nxpk= 0, iat=1600,1613, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end # # 107 PHE HB2 129 GLN HE21 4.94 &rst ixpk= 0, nxpk= 0, iat=1634,2040, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end # # 111 GLU QG 116 LYS QE 4.80 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, igr1=1720,1721, igr2=1800,1801, &end # # 11 TYR HA 110 LEU QD2 5.38 &rst ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96, igr2=1707,1708,1709, &end # # 120 LYS H 125 TYR QE 3.33 &rst ixpk= 0, nxpk= 0, iat=1865, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, igr2=1958,1963, &end # # 121 SER HB2 126 LYS HA 5.01 &rst ixpk= 0, nxpk= 0, iat=1891,1971, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end # # 126 LYS HG2 127 THR H 5.80 &rst ixpk= 0, nxpk= 0, iat=1976,1991, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 126 LYS QD 127 THR H 4.11 &rst ixpk= 0, nxpk= 0, iat= -1,1991, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, igr1=1979,1980, &end # # 135 THR QG2 137 LEU HB2 5.78 &rst ixpk= 0, nxpk= 0, iat= -1,2154, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44, igr1=2132,2133,2134, &end # # 13 LEU QD2 119 TYR HB2 4.55 &rst ixpk= 0, nxpk= 0, iat= -1,1848, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, igr1= 196, 197, 198, &end # # 143 VAL H 143 VAL QG1 4.49 &rst ixpk= 0, nxpk= 0, iat=2237, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr2=2243,2244,2245, &end # # 14 GLN HA 128 LYS QE 4.59 &rst ixpk= 0, nxpk= 0, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, igr2=2018,2019, &end # # 21 VAL QG1 133 PHE H 4.86 &rst ixpk= 0, nxpk= 0, iat= -1,2090, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr1= 322, 323, 324, &end # # 22 GLN HG3 137 LEU QD2 6.00 &rst ixpk= 0, nxpk= 0, iat= 340, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr2=2163,2164,2165, &end # # 22 GLN QB 23 GLU H 3.45 &rst ixpk= 0, nxpk= 0, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, igr1= 336, 337, &end # # 23 GLU H 23 GLU HB3 3.78 &rst ixpk= 0, nxpk= 0, iat= 349, 354, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end # # 26 SER H 98 ALA H 5.42 &rst ixpk= 0, nxpk= 0, iat= 390,1477, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end # # 29 VAL H 30 PRO HD3 4.80 &rst ixpk= 0, nxpk= 0, iat= 434, 452, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 32 SER HA 33 PHE QE 5.06 &rst ixpk= 0, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr2= 495, 499, &end # # 32 SER HA 90 ASP HB2 5.69 &rst ixpk= 0, nxpk= 0, iat= 476,1363, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end # # 33 PHE HZ 35 TYR QE 4.51 &rst ixpk= 0, nxpk= 0, iat= 497, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr2= 526, 531, &end # # 33 PHE QE 86 ILE QG2 5.05 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 495, 499, igr2=1297,1298,1299, &end # # 37 GLN HB2 40 TRP HH2 4.92 &rst ixpk= 0, nxpk= 0, iat= 555, 602, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end # # 41 THR HB 43 SER H 3.42 &rst ixpk= 0, nxpk= 0, iat= 615, 637, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end # # 46 VAL QG2 86 ILE QG2 4.74 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34, igr1= 684, 685, 686, igr2=1297,1298,1299, &end # # 47 HIS HE1 68 PRO HG3 4.80 &rst ixpk= 0, nxpk= 0, iat= 699,1017, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 49 TYR H 49 TYR QE 5.12 &rst ixpk= 0, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, igr2= 724, 729, &end # # 50 TRP HE1 82 LEU QD2 3.62 &rst ixpk= 0, nxpk= 0, iat= 745, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, igr2=1247,1248,1249, &end # # 57 PRO HA 60 ASP H 4.79 &rst ixpk= 0, nxpk= 0, iat= 866, 908, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end # # 64 ALA QB 82 LEU QD2 2.94 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1= 964, 965, 966, igr2=1247,1248,1249, &end # # 67 ASN H 67 ASN HD21 5.14 &rst ixpk= 0, nxpk= 0, iat= 998,1008, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end # # 68 PRO HD3 70 ARG H 5.80 &rst ixpk= 0, nxpk= 0, iat=1014,1038, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 68 PRO HD2 70 ARG H 4.71 &rst ixpk= 0, nxpk= 0, iat=1013,1038, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end # # 70 ARG H 71 GLU HA 5.80 &rst ixpk= 0, nxpk= 0, iat=1038,1064, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 72 VAL HA 72 VAL QG1 3.15 &rst ixpk= 0, nxpk= 0, iat=1079, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, igr2=1083,1084,1085, &end # # 72 VAL QG2 73 GLN HA 4.78 &rst ixpk= 0, nxpk= 0, iat= -1,1095, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, igr1=1087,1088,1089, &end # # 76 THR HA 79 ARG HB2 4.52 &rst ixpk= 0, nxpk= 0, iat=1137,1177, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end # # 79 ARG HB2 80 PHE QD 4.39 &rst ixpk= 0, nxpk= 0, iat=1177, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, igr2=1205,1213, &end # # 7 TYR HA 9 ASP H 4.33 &rst ixpk= 0, nxpk= 0, iat= 98, 124, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end # # 7 TYR QD 123 LEU HB2 5.15 &rst ixpk= 0, nxpk= 0, iat= -1,1919, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, igr1= 104, 113, &end # # 80 PHE HZ 102 ASP HB2 5.34 &rst ixpk= 0, nxpk= 0, iat=1209,1561, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end # # 81 GLN H 81 GLN HG2 4.13 &rst ixpk= 0, nxpk= 0, iat=1217,1224, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end # # 86 ILE HA 88 SER H 4.78 &rst ixpk= 0, nxpk= 0, iat=1293,1334, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end # # 93 LEU HG 95 ILE QD1 3.98 &rst ixpk= 0, nxpk= 0, iat=1399, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, igr2=1435,1436,1437, &end # # 102 ASP HA 134 VAL QG2 5.47 &rst ixpk= 0, nxpk= 0, iat=1559, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07, igr2=2120,2121,2122, &end # # 10 GLY HA3 12 LEU QD2 5.47 &rst ixpk= 0, nxpk= 0, iat= 139, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07, igr2= 177, 178, 179, &end # # 111 GLU HA 112 ARG H 3.24 &rst ixpk= 0, nxpk= 0, iat=1715,1728, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end # # 117 TRP HE1 127 THR HB 6.00 &rst ixpk= 0, nxpk= 0, iat=1819,1995, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 123 LEU HB3 123 LEU QD2 3.02 &rst ixpk= 0, nxpk= 0, iat=1920, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, igr2=1928,1929,1930, &end # # 135 THR HA 135 THR QG2 2.90 &rst ixpk= 0, nxpk= 0, iat=2128, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, igr2=2132,2133,2134, &end # # 136 ALA QB 138 THR HB 4.12 &rst ixpk= 0, nxpk= 0, iat= -1,2173, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1=2144,2145,2146, &end # # 142 LEU H 143 VAL H 4.07 &rst ixpk= 0, nxpk= 0, iat=2218,2237, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end # # 18 LEU QD1 20 THR QG2 3.98 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, igr1= 276, 277, 278, igr2= 308, 309, 310, &end # # 22 GLN HA 137 LEU QD2 5.58 &rst ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, igr2=2163,2164,2165, &end # # 22 GLN HE22 138 THR QG2 4.55 &rst ixpk= 0, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, igr2=2175,2176,2177, &end # # 23 GLU H 137 LEU H 4.04 &rst ixpk= 0, nxpk= 0, iat= 349,2150, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end # # 23 GLU HG3 24 GLY H 4.76 &rst ixpk= 0, nxpk= 0, iat= 357, 364, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end # # 25 LEU QD2 26 SER HB2 5.13 &rst ixpk= 0, nxpk= 0, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, igr1= 384, 385, 386, &end # # 26 SER H 98 ALA QB 5.48 &rst ixpk= 0, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08, igr2=1481,1482,1483, &end # # 28 HIS H 29 VAL HA 5.69 &rst ixpk= 0, nxpk= 0, iat= 417, 436, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end # # 29 VAL H 93 LEU HB3 5.28 &rst ixpk= 0, nxpk= 0, iat= 434,1397, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end # # 29 VAL H 93 LEU HG 5.66 &rst ixpk= 0, nxpk= 0, iat= 434,1399, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end # # 30 PRO HA 92 SER H 4.97 &rst ixpk= 0, nxpk= 0, iat= 460,1381, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end # # 31 CYX HB3 92 SER HA 4.76 &rst ixpk= 0, nxpk= 0, iat= 469,1383, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end # # 33 PHE HZ 110 LEU QD1 4.44 &rst ixpk= 0, nxpk= 0, iat= 497, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, igr2=1703,1704,1705, &end # # 35 TYR QE 89 ASN HD21 4.79 &rst ixpk= 0, nxpk= 0, iat= -1,1355, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr1= 526, 531, &end # # 49 TYR QD 62 PRO QG 4.27 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr1= 722, 731, igr2= 934, 935, &end # # 50 TRP HE1 93 LEU HB3 4.56 &rst ixpk= 0, nxpk= 0, iat= 745,1397, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end # # 50 TRP HH2 108 PHE HB3 4.88 &rst ixpk= 0, nxpk= 0, iat= 750,1655, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end # # 51 PHE HA 51 PHE QE 5.19 &rst ixpk= 0, nxpk= 0, iat= 761, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, igr2= 769, 773, &end # # 51 PHE QE 62 PRO HA 4.12 &rst ixpk= 0, nxpk= 0, iat= -1, 940, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, igr1= 769, 773, &end # # 56 ARG HA 56 ARG QG 3.66 &rst ixpk= 0, nxpk= 0, iat= 834, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr2= 839, 840, &end # # 65 THR QG2 69 ASP H 5.80 &rst ixpk= 0, nxpk= 0, iat= -1,1026, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, igr1= 976, 977, 978, &end # # 65 THR QG2 72 VAL QG1 2.98 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, igr1= 976, 977, 978, igr2=1083,1084,1085, &end # # 76 THR HA 79 ARG HD3 5.44 &rst ixpk= 0, nxpk= 0, iat=1137,1184, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end # # 81 GLN HE22 83 LEU QD2 3.88 &rst ixpk= 0, nxpk= 0, iat=1229, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr2=1266,1267,1268, &end # # 83 LEU HB3 83 LEU QD2 3.39 &rst ixpk= 0, nxpk= 0, iat=1258, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, igr2=1266,1267,1268, &end # # 100 LYS HA 100 LYS QD 4.16 &rst ixpk= 0, nxpk= 0, iat=1513, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, igr2=1521,1522, &end # # 106 TYR H 131 SER HB2 5.74 &rst ixpk= 0, nxpk= 0, iat=1609,2067, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, &end # # 106 TYR QD 132 VAL QG1 4.97 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, igr1=1617,1626, igr2=2080,2081,2082, &end # # 106 TYR QD 132 VAL QG2 3.47 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, igr1=1617,1626, igr2=2084,2085,2086, &end # # 107 PHE H 107 PHE HZ 5.80 &rst ixpk= 0, nxpk= 0, iat=1630,1642, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 107 PHE HA 129 GLN HG2 4.83 &rst ixpk= 0, nxpk= 0, iat=1632,2034, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end # # 109 ARG H 109 ARG HD3 5.46 &rst ixpk= 0, nxpk= 0, iat=1670,1681, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end # # 114 SER HA 116 LYS QE 4.13 &rst ixpk= 0, nxpk= 0, iat=1761, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, igr2=1800,1801, &end # # 117 TRP H 117 TRP HD1 5.80 &rst ixpk= 0, nxpk= 0, iat=1809,1817, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 11 TYR QE 35 TYR HB3 4.53 &rst ixpk= 0, nxpk= 0, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr1= 153, 158, &end # # 11 TYR QE 35 TYR HB2 5.23 &rst ixpk= 0, nxpk= 0, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, igr1= 153, 158, &end # # 128 LYS HA 129 GLN H 2.88 &rst ixpk= 0, nxpk= 0, iat=2007,2027, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end # # 130 LEU HA 130 LEU HG 4.11 &rst ixpk= 0, nxpk= 0, iat=2046,2051, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end # # 138 THR QG2 139 HIS HA 4.88 &rst ixpk= 0, nxpk= 0, iat= -1,2185, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, igr1=2175,2176,2177, &end # # 13 LEU HG 15 VAL QG1 4.39 &rst ixpk= 0, nxpk= 0, iat= 190, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, igr2= 225, 226, 227, &end # # 13 LEU QD2 14 GLN HA 4.53 &rst ixpk= 0, nxpk= 0, iat= -1, 204, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, igr1= 196, 197, 198, &end # # 17 GLU H 128 LYS QD 4.29 &rst ixpk= 0, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, igr2=2015,2016, &end # # 29 VAL H 92 SER HA 5.28 &rst ixpk= 0, nxpk= 0, iat= 434,1383, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end # # 29 VAL QG1 92 SER HA 5.32 &rst ixpk= 0, nxpk= 0, iat= -1,1383, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89, igr1= 440, 441, 442, &end # # 36 PRO HA 37 GLN H 3.05 &rst ixpk= 0, nxpk= 0, iat= 547, 551, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end # # 38 ASP HA 39 GLY H 3.19 &rst ixpk= 0, nxpk= 0, iat= 570, 580, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end # # 47 HIS HA 48 GLY H 3.45 &rst ixpk= 0, nxpk= 0, iat= 692, 707, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end # # 4 ASP H 5 ARG HG3 5.76 &rst ixpk= 0, nxpk= 0, iat= 43, 63, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end # # 50 TRP H 63 VAL QG2 4.61 &rst ixpk= 0, nxpk= 0, iat= 735, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr2= 954, 955, 956, &end # # 52 ARG HB3 106 TYR QE 5.03 &rst ixpk= 0, nxpk= 0, iat= 784, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, igr2=1619,1624, &end # # 56 ARG QG 58 TYR QD 5.03 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84, igr1= 839, 840, igr2= 878, 887, &end # # 57 PRO HD2 58 TYR QD 4.75 &rst ixpk= 0, nxpk= 0, iat= 857, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, igr2= 878, 887, &end # # 59 GLN H 59 GLN HB2 3.76 &rst ixpk= 0, nxpk= 0, iat= 891, 895, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end # # 59 GLN HB2 60 ASP H 4.15 &rst ixpk= 0, nxpk= 0, iat= 895, 908, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end # # 5 ARG HB2 5 ARG HG3 2.86 &rst ixpk= 0, nxpk= 0, iat= 59, 63, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end # # 62 PRO HB2 64 ALA H 3.60 &rst ixpk= 0, nxpk= 0, iat= 937, 960, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 64 ALA HA 65 THR H 3.07 &rst ixpk= 0, nxpk= 0, iat= 962, 970, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end # # 70 ARG HA 71 GLU H 3.00 &rst ixpk= 0, nxpk= 0, iat=1040,1062, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end # # 72 VAL QG2 74 ALA H 5.52 &rst ixpk= 0, nxpk= 0, iat= -1,1110, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13, igr1=1087,1088,1089, &end # # 75 GLU QG 76 THR QG2 3.89 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, igr1=1127,1128, igr2=1141,1142,1143, &end # # 87 TRP HA 87 TRP HD1 5.35 &rst ixpk= 0, nxpk= 0, iat=1312,1318, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end # # 87 TRP HA 87 TRP HE3 3.99 &rst ixpk= 0, nxpk= 0, iat=1312,1329, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end # # 8 GLY HA2 11 TYR QD 4.47 &rst ixpk= 0, nxpk= 0, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, igr2= 151, 160, &end # # 8 GLY HA2 11 TYR QE 4.95 &rst ixpk= 0, nxpk= 0, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr2= 153, 158, &end # # 93 LEU HB3 95 ILE QD1 4.95 &rst ixpk= 0, nxpk= 0, iat=1397, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr2=1435,1436,1437, &end # # 100 LYS QD 136 ALA QB 4.08 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr1=1521,1522, igr2=2144,2145,2146, &end # # 101 ARG HA 101 ARG QD 4.27 &rst ixpk= 0, nxpk= 0, iat=1535, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, igr2=1543,1544, &end # # 103 LYS HG2 133 PHE HA 3.58 &rst ixpk= 0, nxpk= 0, iat=1576,2092, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end # # 103 LYS QE 134 VAL H 3.80 &rst ixpk= 0, nxpk= 0, iat= -1,2110, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, igr1=1582,1583, &end # # 107 PHE QD 109 ARG HA 5.34 &rst ixpk= 0, nxpk= 0, iat= -1,1672, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1=1638,1646, &end # # 115 MET H 116 LYS QE 4.09 &rst ixpk= 0, nxpk= 0, iat=1770, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, igr2=1800,1801, &end # # 120 LYS HB2 121 SER H 4.04 &rst ixpk= 0, nxpk= 0, iat=1869,1887, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end # # 121 SER HA 122 GLN H 3.04 &rst ixpk= 0, nxpk= 0, iat=1889,1898, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end # # 122 GLN H 126 LYS HA 4.17 &rst ixpk= 0, nxpk= 0, iat=1898,1971, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end # # 132 VAL HA 133 PHE HB3 5.80 &rst ixpk= 0, nxpk= 0, iat=2076,2095, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 13 LEU QD1 15 VAL QG2 4.31 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72, igr1= 192, 193, 194, igr2= 229, 230, 231, &end # # 142 LEU HA 142 LEU QD2 3.63 &rst ixpk= 0, nxpk= 0, iat=2220, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, igr2=2231,2232,2233, &end # # 14 GLN H 33 PHE HB3 4.89 &rst ixpk= 0, nxpk= 0, iat= 202, 490, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end # # 16 GLN HB3 130 LEU QD1 5.48 &rst ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08, igr2=2053,2054,2055, &end # # 16 GLN HB3 29 VAL QG1 5.21 &rst ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76, igr2= 440, 441, 442, &end # # 18 LEU HA 19 VAL HB 4.58 &rst ixpk= 0, nxpk= 0, iat= 269, 290, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end # # 21 VAL HB 27 VAL HB 4.42 &rst ixpk= 0, nxpk= 0, iat= 320, 405, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end # # 21 VAL QG1 27 VAL HB 5.30 &rst ixpk= 0, nxpk= 0, iat= -1, 405, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 322, 323, 324, &end # # 23 GLU HB2 136 ALA HA 4.67 &rst ixpk= 0, nxpk= 0, iat= 353,2142, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end # # 27 VAL HA 28 HIS HA 4.88 &rst ixpk= 0, nxpk= 0, iat= 403, 419, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end # # 27 VAL QG1 95 ILE HG13 4.76 &rst ixpk= 0, nxpk= 0, iat= -1,1433, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, igr1= 407, 408, 409, &end # # 28 HIS HE1 30 PRO HB3 4.35 &rst ixpk= 0, nxpk= 0, iat= 426, 458, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end # # 29 VAL QG2 130 LEU QD2 3.54 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, igr1= 444, 445, 446, igr2=2057,2058,2059, &end # # 35 TYR QD 110 LEU QD2 3.88 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, igr1= 524, 533, igr2=1707,1708,1709, &end # # 35 TYR QE 89 ASN HD22 4.79 &rst ixpk= 0, nxpk= 0, iat= -1,1354, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr1= 526, 531, &end # # 49 TYR HA 50 TRP HB2 5.43 &rst ixpk= 0, nxpk= 0, iat= 716, 739, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end # # 50 TRP H 51 PHE H 4.94 &rst ixpk= 0, nxpk= 0, iat= 735, 759, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end # # 50 TRP HB2 63 VAL QG2 4.16 &rst ixpk= 0, nxpk= 0, iat= 739, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr2= 954, 955, 956, &end # # 50 TRP HE3 93 LEU QD1 5.48 &rst ixpk= 0, nxpk= 0, iat= 754, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08, igr2=1401,1402,1403, &end # # 50 TRP HH2 129 GLN HA 5.80 &rst ixpk= 0, nxpk= 0, iat= 750,2029, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 50 TRP HH2 130 LEU HA 5.80 &rst ixpk= 0, nxpk= 0, iat= 750,2046, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 50 TRP HZ3 130 LEU QD1 4.92 &rst ixpk= 0, nxpk= 0, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, igr2=2053,2054,2055, &end # # 52 ARG HG3 106 TYR QD 4.96 &rst ixpk= 0, nxpk= 0, iat= 787, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr2=1617,1626, &end # # 57 PRO HD3 107 PHE HZ 4.75 &rst ixpk= 0, nxpk= 0, iat= 858,1642, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end # # 65 THR QG2 71 GLU H 4.78 &rst ixpk= 0, nxpk= 0, iat= -1,1062, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, igr1= 976, 977, 978, &end # # 67 ASN HD22 70 ARG HB2 5.02 &rst ixpk= 0, nxpk= 0, iat=1007,1042, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end # # 6 GLN HB2 6 GLN HE22 5.08 &rst ixpk= 0, nxpk= 0, iat= 83, 91, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end # # 78 GLY H 80 PHE H 4.86 &rst ixpk= 0, nxpk= 0, iat=1166,1197, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end # # 81 GLN H 82 LEU HA 5.69 &rst ixpk= 0, nxpk= 0, iat=1217,1236, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end # # 81 GLN H 93 LEU HA 5.80 &rst ixpk= 0, nxpk= 0, iat=1217,1394, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 81 GLN HA 82 LEU QD2 4.23 &rst ixpk= 0, nxpk= 0, iat=1219, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr2=1247,1248,1249, &end # # 87 TRP H 88 SER HB2 4.83 &rst ixpk= 0, nxpk= 0, iat=1310,1338, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end # # 95 ILE QD1 106 TYR QE 4.99 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=1435,1436,1437, igr2=1619,1624, &end # # 100 LYS HG3 100 LYS QE 3.73 &rst ixpk= 0, nxpk= 0, iat=1519, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, igr2=1524,1525, &end # # 100 LYS QE 136 ALA HA 4.91 &rst ixpk= 0, nxpk= 0, iat= -1,2142, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, igr1=1524,1525, &end # # 103 LYS HG3 103 LYS QE 3.42 &rst ixpk= 0, nxpk= 0, iat=1577, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, igr2=1582,1583, &end # # 103 LYS HG3 133 PHE QE 5.31 &rst ixpk= 0, nxpk= 0, iat=1577, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, igr2=2100,2104, &end # # 103 LYS HG3 134 VAL H 4.34 &rst ixpk= 0, nxpk= 0, iat=1577,2110, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end # # 104 GLY HA3 105 SER H 3.28 &rst ixpk= 0, nxpk= 0, iat=1594,1598, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end # # 106 TYR HH 134 VAL QG2 5.80 &rst ixpk= 0, nxpk= 0, iat=1622, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, igr2=2120,2121,2122, &end # # 111 GLU QG 116 LYS HG2 4.27 &rst ixpk= 0, nxpk= 0, iat= -1,1794, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, igr1=1720,1721, &end # # 116 LYS HA 117 TRP H 3.29 &rst ixpk= 0, nxpk= 0, iat=1789,1809, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end # # 11 TYR QE 115 MET QE 4.40 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, igr1= 153, 158, igr2=1781,1782,1783, &end # # 120 LYS HB3 129 GLN HE21 6.00 &rst ixpk= 0, nxpk= 0, iat=1870,2040, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 12 LEU H 34 SER QB 3.82 &rst ixpk= 0, nxpk= 0, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, igr2= 509, 510, &end # # 12 LEU HA 13 LEU H 3.02 &rst ixpk= 0, nxpk= 0, iat= 166, 183, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end # # 132 VAL HA 133 PHE HB2 4.64 &rst ixpk= 0, nxpk= 0, iat=2076,2094, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end # # 132 VAL QG1 133 PHE HA 4.33 &rst ixpk= 0, nxpk= 0, iat= -1,2092, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, igr1=2080,2081,2082, &end # # 23 GLU HB2 137 LEU HB2 4.71 &rst ixpk= 0, nxpk= 0, iat= 353,2154, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end # # 27 VAL QG1 95 ILE QG2 3.29 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, igr1= 407, 408, 409, igr2=1428,1429,1430, &end # # 29 VAL QG2 95 ILE QD1 3.11 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1= 444, 445, 446, igr2=1435,1436,1437, &end # # 34 SER HA 35 TYR HB3 5.09 &rst ixpk= 0, nxpk= 0, iat= 507, 521, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end # # 35 TYR H 35 TYR QE 4.74 &rst ixpk= 0, nxpk= 0, iat= 516, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, igr2= 526, 531, &end # # 35 TYR HB3 40 TRP HE1 5.72 &rst ixpk= 0, nxpk= 0, iat= 521, 597, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, &end # # 35 TYR HB2 115 MET QE 3.96 &rst ixpk= 0, nxpk= 0, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr2=1781,1782,1783, &end # # 37 GLN HA 40 TRP HZ3 5.44 &rst ixpk= 0, nxpk= 0, iat= 553, 604, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end # # 40 TRP HZ3 42 ASP HA 3.78 &rst ixpk= 0, nxpk= 0, iat= 604, 627, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end # # 49 TYR H 49 TYR QD 3.96 &rst ixpk= 0, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, igr2= 722, 731, &end # # 49 TYR HB3 64 ALA H 5.49 &rst ixpk= 0, nxpk= 0, iat= 719, 960, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end # # 49 TYR HB3 65 THR QG2 4.82 &rst ixpk= 0, nxpk= 0, iat= 719, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, igr2= 976, 977, 978, &end # # 52 ARG H 106 TYR QD 5.01 &rst ixpk= 0, nxpk= 0, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, igr2=1617,1626, &end # # 52 ARG HG3 63 VAL QG1 4.78 &rst ixpk= 0, nxpk= 0, iat= 787, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, igr2= 950, 951, 952, &end # # 59 GLN H 60 ASP HB3 5.21 &rst ixpk= 0, nxpk= 0, iat= 891, 913, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end # # 62 PRO HA 63 VAL QG2 4.88 &rst ixpk= 0, nxpk= 0, iat= 940, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, igr2= 954, 955, 956, &end # # 64 ALA H 80 PHE HB3 5.78 &rst ixpk= 0, nxpk= 0, iat= 960,1202, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end # # 65 THR QG2 66 ASN H 4.77 &rst ixpk= 0, nxpk= 0, iat= -1, 984, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, igr1= 976, 977, 978, &end # # 6 GLN HB2 7 TYR HA 5.40 &rst ixpk= 0, nxpk= 0, iat= 83, 98, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 70 ARG H 70 ARG HB2 3.57 &rst ixpk= 0, nxpk= 0, iat=1038,1042, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end # # 72 VAL HB 73 GLN HG3 6.00 &rst ixpk= 0, nxpk= 0, iat=1081,1101, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 73 GLN H 73 GLN HE21 4.68 &rst ixpk= 0, nxpk= 0, iat=1093,1106, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end # # 81 GLN HA 82 LEU H 3.14 &rst ixpk= 0, nxpk= 0, iat=1219,1234, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end # # 86 ILE HB 87 TRP H 4.65 &rst ixpk= 0, nxpk= 0, iat=1295,1310, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end # # 88 SER H 90 ASP HB2 5.25 &rst ixpk= 0, nxpk= 0, iat=1334,1363, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end # # 90 ASP HA 91 CYX HA 5.11 &rst ixpk= 0, nxpk= 0, iat=1361,1373, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end # # 95 ILE QG2 96 ARG QB 4.42 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, igr1=1428,1429,1430, igr2=1445,1446, &end # # 97 ASP HA 98 ALA H 2.96 &rst ixpk= 0, nxpk= 0, iat=1467,1477, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end # # 100 LYS HA 134 VAL H 5.07 &rst ixpk= 0, nxpk= 0, iat=1513,2110, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end # # 100 LYS HA 134 VAL QG1 3.34 &rst ixpk= 0, nxpk= 0, iat=1513, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, igr2=2116,2117,2118, &end # # 103 LYS HD3 133 PHE QD 4.86 &rst ixpk= 0, nxpk= 0, iat=1580, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, igr2=2098,2106, &end # # 103 LYS HG3 133 PHE QD 4.32 &rst ixpk= 0, nxpk= 0, iat=1577, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr2=2098,2106, &end # # 107 PHE QE 109 ARG H 5.80 &rst ixpk= 0, nxpk= 0, iat= -1,1670, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, igr1=1640,1644, &end # # 10 GLY HA3 11 TYR QD 5.53 &rst ixpk= 0, nxpk= 0, iat= 139, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71, igr2= 151, 160, &end # # 10 GLY HA2 12 LEU QD2 4.71 &rst ixpk= 0, nxpk= 0, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, igr2= 177, 178, 179, &end # # 116 LYS HA 116 LYS QE 4.51 &rst ixpk= 0, nxpk= 0, iat=1789, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr2=1800,1801, &end # # 126 LYS HA 127 THR H 3.00 &rst ixpk= 0, nxpk= 0, iat=1971,1991, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end # # 127 THR QG2 129 GLN HE22 5.52 &rst ixpk= 0, nxpk= 0, iat= -1,2039, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13, igr1=1997,1998,1999, &end # # 128 LYS H 128 LYS HB3 4.13 &rst ixpk= 0, nxpk= 0, iat=2005,2010, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end # # 128 LYS H 128 LYS HG2 4.04 &rst ixpk= 0, nxpk= 0, iat=2005,2012, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end # # 129 GLN H 129 GLN HB2 3.63 &rst ixpk= 0, nxpk= 0, iat=2027,2031, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end # # 136 ALA QB 138 THR QG2 4.29 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69, igr1=2144,2145,2146, igr2=2175,2176,2177, &end # # 13 LEU QD1 50 TRP HH2 4.82 &rst ixpk= 0, nxpk= 0, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, igr1= 192, 193, 194, &end # # 143 VAL H 143 VAL HA 2.92 &rst ixpk= 0, nxpk= 0, iat=2237,2239, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end # # 15 VAL HB 130 LEU HB3 5.68 &rst ixpk= 0, nxpk= 0, iat= 223,2049, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end # # 16 GLN H 130 LEU QD1 4.70 &rst ixpk= 0, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, igr2=2053,2054,2055, &end # # 16 GLN HB2 18 LEU H 5.03 &rst ixpk= 0, nxpk= 0, iat= 239, 267, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end # # 16 GLN HB2 19 VAL QG2 4.35 &rst ixpk= 0, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr2= 296, 297, 298, &end # # 16 GLN HE22 29 VAL QG1 4.90 &rst ixpk= 0, nxpk= 0, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr2= 440, 441, 442, &end # # 19 VAL H 132 VAL QG2 4.51 &rst ixpk= 0, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, igr2=2084,2085,2086, &end # # 19 VAL HA 20 THR HA 4.74 &rst ixpk= 0, nxpk= 0, iat= 288, 304, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end # # 20 THR HA 134 VAL HA 4.89 &rst ixpk= 0, nxpk= 0, iat= 304,2112, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end # # 20 THR QG2 133 PHE HA 4.66 &rst ixpk= 0, nxpk= 0, iat= -1,2092, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, igr1= 308, 309, 310, &end # # 21 VAL H 132 VAL QG1 4.87 &rst ixpk= 0, nxpk= 0, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, igr2=2080,2081,2082, &end # # 21 VAL QG1 22 GLN HA 4.92 &rst ixpk= 0, nxpk= 0, iat= -1, 334, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, igr1= 322, 323, 324, &end # # 21 VAL QG1 95 ILE QG2 3.73 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr1= 322, 323, 324, igr2=1428,1429,1430, &end # # 22 GLN H 142 LEU H 5.80 &rst ixpk= 0, nxpk= 0, iat= 332,2218, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 23 GLU HA 134 VAL QG1 3.32 &rst ixpk= 0, nxpk= 0, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, igr2=2116,2117,2118, &end # # 23 GLU HB3 135 THR QG2 5.32 &rst ixpk= 0, nxpk= 0, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89, igr2=2132,2133,2134, &end # # 24 GLY H 99 ARG HA 4.97 &rst ixpk= 0, nxpk= 0, iat= 364,1489, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end # # 24 GLY HA2 137 LEU QD2 5.80 &rst ixpk= 0, nxpk= 0, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, igr2=2163,2164,2165, &end # # 28 HIS QB 28 HIS HE1 5.10 &rst ixpk= 0, nxpk= 0, iat= -1, 426, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, igr1= 421, 422, &end # # 29 VAL QG2 30 PRO HD2 4.38 &rst ixpk= 0, nxpk= 0, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, igr1= 444, 445, 446, &end # # 30 PRO HB3 31 CYX H 4.50 &rst ixpk= 0, nxpk= 0, iat= 458, 464, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 30 PRO HB2 31 CYX H 4.13 &rst ixpk= 0, nxpk= 0, iat= 457, 464, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end # # 33 PHE HZ 108 PHE HZ 5.38 &rst ixpk= 0, nxpk= 0, iat= 497,1662, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end # # 39 GLY H 40 TRP H 3.24 &rst ixpk= 0, nxpk= 0, iat= 580, 587, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end # # 39 GLY HA3 40 TRP H 3.53 &rst ixpk= 0, nxpk= 0, iat= 583, 587, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end # # 40 TRP HD1 115 MET HB2 4.04 &rst ixpk= 0, nxpk= 0, iat= 595,1774, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end # # 40 TRP HE1 110 LEU QD2 4.61 &rst ixpk= 0, nxpk= 0, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr2=1707,1708,1709, &end # # 41 THR H 43 SER H 5.16 &rst ixpk= 0, nxpk= 0, iat= 611, 637, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end # # 43 SER H 43 SER HB2 3.63 &rst ixpk= 0, nxpk= 0, iat= 637, 641, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end # # 49 TYR HA 50 TRP H 3.49 &rst ixpk= 0, nxpk= 0, iat= 716, 735, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end # # 49 TYR QD 62 PRO HB3 4.42 &rst ixpk= 0, nxpk= 0, iat= -1, 938, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, igr1= 722, 731, &end # # 49 TYR QE 67 ASN HD22 4.55 &rst ixpk= 0, nxpk= 0, iat= -1,1007, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, igr1= 724, 729, &end # # 51 PHE HA 106 TYR QD 5.80 &rst ixpk= 0, nxpk= 0, iat= 761, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, igr2=1617,1626, &end # # 51 PHE HA 51 PHE QD 5.14 &rst ixpk= 0, nxpk= 0, iat= 761, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, igr2= 767, 775, &end # # 51 PHE HZ 109 ARG HD2 4.37 &rst ixpk= 0, nxpk= 0, iat= 771,1680, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end # # 53 ALA H 106 TYR QD 4.76 &rst ixpk= 0, nxpk= 0, iat= 803, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr2=1617,1626, &end # # 53 ALA QB 107 PHE QE 4.79 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96, igr1= 807, 808, 809, igr2=1640,1644, &end # # 53 ALA QB 129 GLN HE22 4.02 &rst ixpk= 0, nxpk= 0, iat= -1,2039, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr1= 807, 808, 809, &end # # 55 ASP H 55 ASP HB3 4.03 &rst ixpk= 0, nxpk= 0, iat= 820, 825, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end # # 58 TYR H 60 ASP H 4.75 &rst ixpk= 0, nxpk= 0, iat= 870, 908, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end # # 5 ARG H 6 GLN HA 5.00 &rst ixpk= 0, nxpk= 0, iat= 55, 81, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 5 ARG HB2 6 GLN H 4.06 &rst ixpk= 0, nxpk= 0, iat= 59, 79, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end # # 63 VAL HB 76 THR H 5.80 &rst ixpk= 0, nxpk= 0, iat= 948,1135, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 63 VAL HB 76 THR QG2 3.54 &rst ixpk= 0, nxpk= 0, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, igr2=1141,1142,1143, &end # # 63 VAL QG1 73 GLN HG2 4.25 &rst ixpk= 0, nxpk= 0, iat= -1,1100, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, igr1= 950, 951, 952, &end # # 63 VAL QG2 93 LEU QD1 4.38 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82, igr1= 954, 955, 956, igr2=1401,1402,1403, &end # # 64 ALA QB 81 GLN HA 4.08 &rst ixpk= 0, nxpk= 0, iat= -1,1219, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, igr1= 964, 965, 966, &end # # 71 GLU QB 77 GLN HE21 5.04 &rst ixpk= 0, nxpk= 0, iat= -1,1162, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, igr1=1066,1067, &end # # 73 GLN HB2 74 ALA H 4.10 &rst ixpk= 0, nxpk= 0, iat=1097,1110, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 73 GLN HB2 76 THR H 4.18 &rst ixpk= 0, nxpk= 0, iat=1097,1135, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end # # 74 ALA H 74 ALA QB 2.98 &rst ixpk= 0, nxpk= 0, iat=1110, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, igr2=1114,1115,1116, &end # # 76 THR HB 80 PHE HB2 4.64 &rst ixpk= 0, nxpk= 0, iat=1139,1201, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end # # 79 ARG HA 96 ARG QG 4.66 &rst ixpk= 0, nxpk= 0, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, igr2=1448,1449, &end # # 79 ARG HD3 97 ASP HB3 5.80 &rst ixpk= 0, nxpk= 0, iat=1184,1470, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 81 GLN HE21 83 LEU QD1 5.07 &rst ixpk= 0, nxpk= 0, iat=1230, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, igr2=1262,1263,1264, &end # # 83 LEU HB3 83 LEU QD1 3.41 &rst ixpk= 0, nxpk= 0, iat=1258, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, igr2=1262,1263,1264, &end # # 83 LEU QD2 94 SER H 4.59 &rst ixpk= 0, nxpk= 0, iat= -1,1411, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, igr1=1266,1267,1268, &end # # 87 TRP HA 89 ASN H 5.32 &rst ixpk= 0, nxpk= 0, iat=1312,1345, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end # # 99 ARG H 99 ARG HG3 4.08 &rst ixpk= 0, nxpk= 0, iat=1487,1495, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end # # 103 LYS HA 132 VAL QG2 5.69 &rst ixpk= 0, nxpk= 0, iat=1571, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33, igr2=2084,2085,2086, &end # # 103 LYS HG3 104 GLY H 4.31 &rst ixpk= 0, nxpk= 0, iat=1577,1591, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end # # 105 SER H 105 SER HB2 3.32 &rst ixpk= 0, nxpk= 0, iat=1598,1602, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end # # 106 TYR QD 132 VAL HA 5.80 &rst ixpk= 0, nxpk= 0, iat= -1,2076, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, igr1=1617,1626, &end # # 114 SER H 114 SER HB2 3.94 &rst ixpk= 0, nxpk= 0, iat=1759,1763, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end # # 121 SER H 121 SER HB3 3.54 &rst ixpk= 0, nxpk= 0, iat=1887,1892, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 121 SER H 129 GLN HG2 5.80 &rst ixpk= 0, nxpk= 0, iat=1887,2034, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 12 LEU HB2 12 LEU QD1 3.30 &rst ixpk= 0, nxpk= 0, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr2= 173, 174, 175, &end # # 130 LEU QD1 132 VAL HA 4.07 &rst ixpk= 0, nxpk= 0, iat= -1,2076, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, igr1=2053,2054,2055, &end # # 132 VAL HA 132 VAL QG1 3.44 &rst ixpk= 0, nxpk= 0, iat=2076, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, igr2=2080,2081,2082, &end # # 13 LEU H 13 LEU HB3 3.56 &rst ixpk= 0, nxpk= 0, iat= 183, 188, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end # # 13 LEU HA 14 GLN HA 4.90 &rst ixpk= 0, nxpk= 0, iat= 185, 204, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 13 LEU HB2 34 SER H 4.99 &rst ixpk= 0, nxpk= 0, iat= 187, 505, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end # # 13 LEU QD2 128 LYS H 4.39 &rst ixpk= 0, nxpk= 0, iat= -1,2005, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, igr1= 196, 197, 198, &end # # 142 LEU HB2 143 VAL H 4.04 &rst ixpk= 0, nxpk= 0, iat=2222,2237, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end # # 14 GLN HA 15 VAL H 2.92 &rst ixpk= 0, nxpk= 0, iat= 204, 219, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end # # 15 VAL HB 50 TRP HH2 4.90 &rst ixpk= 0, nxpk= 0, iat= 223, 750, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 15 VAL QG1 16 GLN HB3 5.48 &rst ixpk= 0, nxpk= 0, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08, igr1= 225, 226, 227, &end # # 19 VAL QG2 29 VAL QG2 2.90 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, igr1= 296, 297, 298, igr2= 444, 445, 446, &end # # 24 GLY H 97 ASP HA 4.78 &rst ixpk= 0, nxpk= 0, iat= 364,1467, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end # # 26 SER HB3 27 VAL QG1 4.62 &rst ixpk= 0, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, igr2= 407, 408, 409, &end # # 27 VAL HA 27 VAL QG2 2.93 &rst ixpk= 0, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, igr2= 411, 412, 413, &end # # 27 VAL HA 28 HIS QB 4.55 &rst ixpk= 0, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, igr2= 421, 422, &end # # 28 HIS H 28 HIS QB 3.21 &rst ixpk= 0, nxpk= 0, iat= 417, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr2= 421, 422, &end # # 29 VAL HA 30 PRO HG3 4.86 &rst ixpk= 0, nxpk= 0, iat= 436, 455, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end # # 29 VAL QG1 31 CYX HB2 4.77 &rst ixpk= 0, nxpk= 0, iat= -1, 468, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, igr1= 440, 441, 442, &end # # 33 PHE HA 33 PHE QD 4.33 &rst ixpk= 0, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, igr2= 493, 501, &end # # 33 PHE HA 34 SER H 3.35 &rst ixpk= 0, nxpk= 0, iat= 487, 505, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end # # 34 SER H 119 TYR HH 4.39 &rst ixpk= 0, nxpk= 0, iat= 505,1857, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end # # 35 TYR H 35 TYR QD 4.19 &rst ixpk= 0, nxpk= 0, iat= 516, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, igr2= 524, 533, &end # # 35 TYR QD 37 GLN H 5.80 &rst ixpk= 0, nxpk= 0, iat= -1, 551, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, igr1= 524, 533, &end # # 39 GLY HA2 40 TRP HD1 5.80 &rst ixpk= 0, nxpk= 0, iat= 582, 595, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 45 PRO HA 87 TRP HE1 5.80 &rst ixpk= 0, nxpk= 0, iat= 670,1320, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 45 PRO QB 47 HIS HE1 4.84 &rst ixpk= 0, nxpk= 0, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr1= 667, 668, &end # # 48 GLY HA2 110 LEU H 5.80 &rst ixpk= 0, nxpk= 0, iat= 709,1694, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 50 TRP HA 109 ARG H 4.21 &rst ixpk= 0, nxpk= 0, iat= 737,1670, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end # # 50 TRP HB2 106 TYR HB3 5.79 &rst ixpk= 0, nxpk= 0, iat= 739,1614, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end # # 50 TRP HE3 106 TYR H 5.28 &rst ixpk= 0, nxpk= 0, iat= 754,1609, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end # # 51 PHE H 63 VAL H 5.45 &rst ixpk= 0, nxpk= 0, iat= 759, 944, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end # # 51 PHE HB2 52 ARG H 4.22 &rst ixpk= 0, nxpk= 0, iat= 763, 779, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end # # 51 PHE QD 61 ALA HA 5.80 &rst ixpk= 0, nxpk= 0, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, igr1= 767, 775, &end # # 52 ARG HB2 106 TYR HA 5.73 &rst ixpk= 0, nxpk= 0, iat= 783,1611, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end # # 52 ARG HB2 52 ARG HE 4.65 &rst ixpk= 0, nxpk= 0, iat= 783, 792, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end # # 52 ARG HG2 106 TYR HA 5.80 &rst ixpk= 0, nxpk= 0, iat= 786,1611, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 5 ARG QD 6 GLN H 4.23 &rst ixpk= 0, nxpk= 0, iat= -1, 79, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, igr1= 65, 66, &end # # 63 VAL H 63 VAL HB 4.19 &rst ixpk= 0, nxpk= 0, iat= 944, 948, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end # # 67 ASN H 67 ASN HB2 4.16 &rst ixpk= 0, nxpk= 0, iat= 998,1002, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end # # 67 ASN HD21 69 ASP H 5.26 &rst ixpk= 0, nxpk= 0, iat=1008,1026, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end # # 68 PRO HA 69 ASP HA 5.03 &rst ixpk= 0, nxpk= 0, iat=1022,1028, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end # # 79 ARG HA 80 PHE QD 4.80 &rst ixpk= 0, nxpk= 0, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr2=1205,1213, &end # # 79 ARG QG 97 ASP HB3 5.06 &rst ixpk= 0, nxpk= 0, iat= -1,1470, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr1=1180,1181, &end # # 80 PHE QE 99 ARG H 5.61 &rst ixpk= 0, nxpk= 0, iat= -1,1487, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1=1207,1211, &end # # 82 LEU HB2 83 LEU H 5.04 &rst ixpk= 0, nxpk= 0, iat=1238,1253, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end # # 83 LEU HG 94 SER H 4.57 &rst ixpk= 0, nxpk= 0, iat=1260,1411, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end # # 85 ASP H 90 ASP HB2 4.24 &rst ixpk= 0, nxpk= 0, iat=1279,1363, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end # # 85 ASP H 90 ASP HB3 4.36 &rst ixpk= 0, nxpk= 0, iat=1279,1364, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end # # 86 ILE HB 86 ILE QD1 4.09 &rst ixpk= 0, nxpk= 0, iat=1295, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, igr2=1304,1305,1306, &end # # 89 ASN H 90 ASP H 4.12 &rst ixpk= 0, nxpk= 0, iat=1345,1359, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end # # 93 LEU HB3 93 LEU QD2 3.59 &rst ixpk= 0, nxpk= 0, iat=1397, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, igr2=1405,1406,1407, &end # # 100 LYS H 100 LYS QB 3.39 &rst ixpk= 0, nxpk= 0, iat=1511, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, igr2=1515,1516, &end # # 100 LYS H 100 LYS QD 4.60 &rst ixpk= 0, nxpk= 0, iat=1511, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr2=1521,1522, &end # # 103 LYS H 103 LYS HG3 4.79 &rst ixpk= 0, nxpk= 0, iat=1569,1577, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end # # 103 LYS H 134 VAL HB 3.80 &rst ixpk= 0, nxpk= 0, iat=1569,2114, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end # # 106 TYR QD 130 LEU QD1 4.38 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, igr1=1617,1626, igr2=2053,2054,2055, &end # # 107 PHE HA 108 PHE HB3 5.16 &rst ixpk= 0, nxpk= 0, iat=1632,1655, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end # # 110 LEU QD2 111 GLU HA 5.80 &rst ixpk= 0, nxpk= 0, iat= -1,1715, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, igr1=1707,1708,1709, &end # # 111 GLU HA 115 MET H 5.80 &rst ixpk= 0, nxpk= 0, iat=1715,1770, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 112 ARG H 115 MET HB3 4.62 &rst ixpk= 0, nxpk= 0, iat=1728,1775, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end # # 112 ARG HB2 113 GLY H 4.70 &rst ixpk= 0, nxpk= 0, iat=1732,1752, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 119 TYR H 119 TYR QE 4.81 &rst ixpk= 0, nxpk= 0, iat=1844, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1854,1859, &end # # 11 TYR QE 117 TRP HB3 5.32 &rst ixpk= 0, nxpk= 0, iat= -1,1814, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, igr1= 153, 158, &end # # 129 GLN HG3 129 GLN HE21 3.45 &rst ixpk= 0, nxpk= 0, iat=2035,2040, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end # # 130 LEU HA 131 SER HB2 4.68 &rst ixpk= 0, nxpk= 0, iat=2046,2067, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end # # 130 LEU QD1 132 VAL QG2 3.15 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, igr1=2053,2054,2055, igr2=2084,2085,2086, &end # # 137 LEU QD1 138 THR H 4.15 &rst ixpk= 0, nxpk= 0, iat= -1,2169, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, igr1=2159,2160,2161, &end # # 13 LEU HB3 13 LEU QD2 3.36 &rst ixpk= 0, nxpk= 0, iat= 188, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, igr2= 196, 197, 198, &end # # 14 GLN QB 14 GLN HE21 4.83 &rst ixpk= 0, nxpk= 0, iat= -1, 215, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, igr1= 206, 207, &end # # 15 VAL H 128 LYS QE 4.49 &rst ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr2=2018,2019, &end # # 15 VAL HB 31 CYX HB2 5.42 &rst ixpk= 0, nxpk= 0, iat= 223, 468, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end # # 17 GLU QG 128 LYS HG3 5.05 &rst ixpk= 0, nxpk= 0, iat= -1,2013, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 259, 260, &end # # 17 GLU QG 129 GLN H 4.65 &rst ixpk= 0, nxpk= 0, iat= -1,2027, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr1= 259, 260, &end # # 19 VAL QG1 133 PHE HB2 4.80 &rst ixpk= 0, nxpk= 0, iat= -1,2094, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, igr1= 292, 293, 294, &end # # 21 VAL QG1 134 VAL HA 3.96 &rst ixpk= 0, nxpk= 0, iat= -1,2112, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr1= 322, 323, 324, &end # # 21 VAL QG1 95 ILE QD1 4.92 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60, igr1= 322, 323, 324, igr2=1435,1436,1437, &end # # 22 GLN HA 134 VAL HA 4.95 &rst ixpk= 0, nxpk= 0, iat= 334,2112, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end # # 22 GLN QB 142 LEU HB3 4.61 &rst ixpk= 0, nxpk= 0, iat= -1,2223, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, igr1= 336, 337, &end # # 23 GLU H 136 ALA HA 4.46 &rst ixpk= 0, nxpk= 0, iat= 349,2142, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end # # 23 GLU HB2 135 THR H 4.89 &rst ixpk= 0, nxpk= 0, iat= 353,2126, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end # # 28 HIS HD2 83 LEU QD1 3.62 &rst ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, igr2=1262,1263,1264, &end # # 31 CYX HA 32 SER H 2.99 &rst ixpk= 0, nxpk= 0, iat= 466, 474, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end # # 34 SER QB 35 TYR H 3.97 &rst ixpk= 0, nxpk= 0, iat= -1, 516, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, igr1= 509, 510, &end # # 35 TYR HB2 110 LEU QD1 5.45 &rst ixpk= 0, nxpk= 0, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05, igr2=1703,1704,1705, &end # # 37 GLN HG3 40 TRP HZ2 4.66 &rst ixpk= 0, nxpk= 0, iat= 559, 600, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end # # 41 THR HB 42 ASP HB2 4.85 &rst ixpk= 0, nxpk= 0, iat= 615, 629, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end # # 48 GLY H 82 LEU QD1 4.29 &rst ixpk= 0, nxpk= 0, iat= 707, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, igr2=1243,1244,1245, &end # # 49 TYR QE 111 GLU H 4.90 &rst ixpk= 0, nxpk= 0, iat= -1,1713, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr1= 724, 729, &end # # 50 TRP HE3 108 PHE H 4.96 &rst ixpk= 0, nxpk= 0, iat= 754,1650, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end # # 51 PHE H 107 PHE HZ 5.80 &rst ixpk= 0, nxpk= 0, iat= 759,1642, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 51 PHE H 108 PHE HA 4.48 &rst ixpk= 0, nxpk= 0, iat= 759,1652, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end # # 51 PHE HB3 107 PHE QE 5.11 &rst ixpk= 0, nxpk= 0, iat= 764, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, igr2=1640,1644, &end # # 51 PHE HZ 62 PRO HB2 5.76 &rst ixpk= 0, nxpk= 0, iat= 771, 937, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end # # 52 ARG HB2 55 ASP H 5.66 &rst ixpk= 0, nxpk= 0, iat= 783, 820, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end # # 52 ARG HG2 55 ASP H 5.80 &rst ixpk= 0, nxpk= 0, iat= 786, 820, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 56 ARG QG 59 GLN H 4.69 &rst ixpk= 0, nxpk= 0, iat= -1, 891, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, igr1= 839, 840, &end # # 57 PRO HD2 59 GLN H 6.00 &rst ixpk= 0, nxpk= 0, iat= 857, 891, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 58 TYR H 58 TYR QD 4.23 &rst ixpk= 0, nxpk= 0, iat= 870, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, igr2= 878, 887, &end # # 5 ARG H 6 GLN HB3 5.80 &rst ixpk= 0, nxpk= 0, iat= 55, 84, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 61 ALA QB 73 GLN HG2 3.97 &rst ixpk= 0, nxpk= 0, iat= -1,1100, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr1= 924, 925, 926, &end # # 66 ASN HB2 86 ILE QG2 4.55 &rst ixpk= 0, nxpk= 0, iat= 988, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, igr2=1297,1298,1299, &end # # 67 ASN HD22 70 ARG HB3 5.02 &rst ixpk= 0, nxpk= 0, iat=1007,1043, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end # # 74 ALA HA 76 THR H 4.49 &rst ixpk= 0, nxpk= 0, iat=1112,1135, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end # # 75 GLU QB 76 THR QG2 4.38 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, igr1=1124,1125, igr2=1141,1142,1143, &end # # 77 GLN HA 79 ARG H 4.02 &rst ixpk= 0, nxpk= 0, iat=1151,1173, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end # # 7 TYR H 7 TYR HB3 3.34 &rst ixpk= 0, nxpk= 0, iat= 96, 101, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end # # 7 TYR HA 8 GLY H 3.23 &rst ixpk= 0, nxpk= 0, iat= 98, 117, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end # # 7 TYR QD 122 GLN QB 4.82 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 104, 113, igr2=1902,1903, &end # # 80 PHE H 96 ARG H 4.87 &rst ixpk= 0, nxpk= 0, iat=1197,1441, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end # # 80 PHE HA 95 ILE HG12 5.27 &rst ixpk= 0, nxpk= 0, iat=1199,1432, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end # # 80 PHE HB2 93 LEU QD2 5.80 &rst ixpk= 0, nxpk= 0, iat=1201, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, igr2=1405,1406,1407, &end # # 80 PHE QE 106 TYR HH 4.62 &rst ixpk= 0, nxpk= 0, iat= -1,1622, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr1=1207,1211, &end # # 81 GLN HB2 82 LEU H 3.66 &rst ixpk= 0, nxpk= 0, iat=1221,1234, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end # # 82 LEU H 82 LEU HB2 3.90 &rst ixpk= 0, nxpk= 0, iat=1234,1238, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end # # 82 LEU H 82 LEU HB3 4.18 &rst ixpk= 0, nxpk= 0, iat=1234,1239, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end # # 86 ILE QG2 87 TRP HD1 5.23 &rst ixpk= 0, nxpk= 0, iat= -1,1318, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78, igr1=1297,1298,1299, &end # # 8 GLY H 117 TRP HH2 4.01 &rst ixpk= 0, nxpk= 0, iat= 117,1824, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end # # 90 ASP H 90 ASP HB2 3.72 &rst ixpk= 0, nxpk= 0, iat=1359,1363, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end # # 92 SER H 93 LEU H 4.90 &rst ixpk= 0, nxpk= 0, iat=1381,1392, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 92 SER HB3 94 SER QB 5.58 &rst ixpk= 0, nxpk= 0, iat=1386, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76, igr2=1415,1416, &end # # 99 ARG H 100 LYS HA 5.80 &rst ixpk= 0, nxpk= 0, iat=1487,1513, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 100 LYS HA 100 LYS QE 4.89 &rst ixpk= 0, nxpk= 0, iat=1513, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, igr2=1524,1525, &end # # 100 LYS QE 134 VAL QG1 4.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1524,1525, igr2=2116,2117,2118, &end # # 101 ARG HB2 102 ASP H 4.10 &rst ixpk= 0, nxpk= 0, iat=1537,1557, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 103 LYS HA 103 LYS QE 4.96 &rst ixpk= 0, nxpk= 0, iat=1571, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr2=1582,1583, &end # # 103 LYS HA 134 VAL HA 5.80 &rst ixpk= 0, nxpk= 0, iat=1571,2112, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 103 LYS HB3 103 LYS QE 4.78 &rst ixpk= 0, nxpk= 0, iat=1574, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr2=1582,1583, &end # # 103 LYS HG2 133 PHE QD 4.31 &rst ixpk= 0, nxpk= 0, iat=1576, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, igr2=2098,2106, &end # # 103 LYS QE 133 PHE QD 3.40 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, igr1=1582,1583, igr2=2098,2106, &end # # 107 PHE HA 129 GLN HB3 5.12 &rst ixpk= 0, nxpk= 0, iat=1632,2032, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end # # 107 PHE HZ 109 ARG QB 5.56 &rst ixpk= 0, nxpk= 0, iat=1642, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74, igr2=1674,1675, &end # # 108 PHE H 108 PHE HB3 3.96 &rst ixpk= 0, nxpk= 0, iat=1650,1655, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end # # 108 PHE HA 109 ARG H 3.44 &rst ixpk= 0, nxpk= 0, iat=1652,1670, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end # # 110 LEU HB3 119 TYR QE 4.16 &rst ixpk= 0, nxpk= 0, iat=1699, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, igr2=1854,1859, &end # # 111 GLU HA 116 LYS HG2 5.43 &rst ixpk= 0, nxpk= 0, iat=1715,1794, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end # # 111 GLU QG 112 ARG H 4.03 &rst ixpk= 0, nxpk= 0, iat= -1,1728, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, igr1=1720,1721, &end # # 111 GLU QG 116 LYS HA 4.03 &rst ixpk= 0, nxpk= 0, iat= -1,1789, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, igr1=1720,1721, &end # # 112 ARG H 116 LYS QE 5.06 &rst ixpk= 0, nxpk= 0, iat=1728, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr2=1800,1801, &end # # 114 SER HB2 115 MET H 4.84 &rst ixpk= 0, nxpk= 0, iat=1763,1770, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end # # 115 MET HG3 115 MET QE 4.16 &rst ixpk= 0, nxpk= 0, iat=1778, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr2=1781,1782,1783, &end # # 116 LYS HG3 117 TRP H 4.95 &rst ixpk= 0, nxpk= 0, iat=1795,1809, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end # # 118 SER HA 119 TYR H 3.55 &rst ixpk= 0, nxpk= 0, iat=1835,1844, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end # # 118 SER HB2 120 LYS HG2 5.04 &rst ixpk= 0, nxpk= 0, iat=1837,1872, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end # # 121 SER H 127 THR QG2 3.44 &rst ixpk= 0, nxpk= 0, iat=1887, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, igr2=1997,1998,1999, &end # # 121 SER HA 126 LYS H 5.13 &rst ixpk= 0, nxpk= 0, iat=1889,1969, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end # # 122 GLN HE21 127 THR QG2 5.17 &rst ixpk= 0, nxpk= 0, iat=1911, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71, igr2=1997,1998,1999, &end # # 122 GLN QB 125 TYR H 4.35 &rst ixpk= 0, nxpk= 0, iat= -1,1948, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, igr1=1902,1903, &end # # 125 TYR H 125 TYR HB3 3.49 &rst ixpk= 0, nxpk= 0, iat=1948,1953, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end # # 129 GLN HE21 130 LEU H 5.80 &rst ixpk= 0, nxpk= 0, iat=2040,2044, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 12 LEU HB2 34 SER QB 3.88 &rst ixpk= 0, nxpk= 0, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, igr2= 509, 510, &end # # 12 LEU QD1 14 GLN HG3 5.80 &rst ixpk= 0, nxpk= 0, iat= -1, 210, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, igr1= 173, 174, 175, &end # # 130 LEU QD2 132 VAL HA 5.09 &rst ixpk= 0, nxpk= 0, iat= -1,2076, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, igr1=2057,2058,2059, &end # # 131 SER HB3 133 PHE QE 4.23 &rst ixpk= 0, nxpk= 0, iat=2068, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, igr2=2100,2104, &end # # 132 VAL HA 133 PHE QD 4.91 &rst ixpk= 0, nxpk= 0, iat=2076, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, igr2=2098,2106, &end # # 132 VAL QG2 133 PHE QD 5.44 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83, igr1=2084,2085,2086, igr2=2098,2106, &end # # 133 PHE HA 134 VAL HA 4.82 &rst ixpk= 0, nxpk= 0, iat=2092,2112, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end # # 136 ALA H 136 ALA QB 3.10 &rst ixpk= 0, nxpk= 0, iat=2140, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, igr2=2144,2145,2146, &end # # 137 LEU HA 138 THR H 3.17 &rst ixpk= 0, nxpk= 0, iat=2152,2169, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end # # 13 LEU QD1 32 SER H 4.70 &rst ixpk= 0, nxpk= 0, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, igr1= 192, 193, 194, &end # # 13 LEU QD2 15 VAL HB 3.45 &rst ixpk= 0, nxpk= 0, iat= -1, 223, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, igr1= 196, 197, 198, &end # # 142 LEU QD2 143 VAL H 4.06 &rst ixpk= 0, nxpk= 0, iat= -1,2237, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, igr1=2231,2232,2233, &end # # 14 GLN H 32 SER H 3.80 &rst ixpk= 0, nxpk= 0, iat= 202, 474, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end # # 15 VAL QG2 17 GLU H 5.48 &rst ixpk= 0, nxpk= 0, iat= -1, 252, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08, igr1= 229, 230, 231, &end # # 16 GLN HA 17 GLU HB2 4.89 &rst ixpk= 0, nxpk= 0, iat= 237, 256, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end # # 16 GLN HB2 16 GLN HE22 4.84 &rst ixpk= 0, nxpk= 0, iat= 239, 247, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end # # 17 GLU HA 130 LEU HA 3.74 &rst ixpk= 0, nxpk= 0, iat= 254,2046, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end # # 19 VAL H 130 LEU QD1 3.51 &rst ixpk= 0, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, igr2=2053,2054,2055, &end # # 19 VAL HA 133 PHE H 5.62 &rst ixpk= 0, nxpk= 0, iat= 288,2090, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end # # 20 THR H 21 VAL HB 5.01 &rst ixpk= 0, nxpk= 0, iat= 302, 320, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end # # 20 THR HA 134 VAL QG2 5.31 &rst ixpk= 0, nxpk= 0, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, igr2=2120,2121,2122, &end # # 20 THR QG2 21 VAL HB 5.49 &rst ixpk= 0, nxpk= 0, iat= -1, 320, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09, igr1= 308, 309, 310, &end # # 21 VAL QG1 98 ALA HA 4.98 &rst ixpk= 0, nxpk= 0, iat= -1,1479, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, igr1= 322, 323, 324, &end # # 22 GLN HE22 135 THR QG2 4.56 &rst ixpk= 0, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, igr2=2132,2133,2134, &end # # 22 GLN HG2 135 THR H 4.85 &rst ixpk= 0, nxpk= 0, iat= 339,2126, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end # # 23 GLU H 136 ALA QB 5.74 &rst ixpk= 0, nxpk= 0, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39, igr2=2144,2145,2146, &end # # 23 GLU HB3 24 GLY HA3 5.26 &rst ixpk= 0, nxpk= 0, iat= 354, 367, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end # # 25 LEU H 25 LEU HB3 3.94 &rst ixpk= 0, nxpk= 0, iat= 371, 376, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end # # 26 SER H 97 ASP H 5.01 &rst ixpk= 0, nxpk= 0, iat= 390,1465, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end # # 26 SER HB2 144 PRO HD2 3.30 &rst ixpk= 0, nxpk= 0, iat= 394,2254, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 27 VAL H 27 VAL QG2 4.16 &rst ixpk= 0, nxpk= 0, iat= 401, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr2= 411, 412, 413, &end # # 27 VAL H 98 ALA H 5.46 &rst ixpk= 0, nxpk= 0, iat= 401,1477, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end # # 27 VAL HB 95 ILE H 5.64 &rst ixpk= 0, nxpk= 0, iat= 405,1422, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end # # 27 VAL QG2 95 ILE HB 4.44 &rst ixpk= 0, nxpk= 0, iat= -1,1426, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, igr1= 411, 412, 413, &end # # 28 HIS HA 94 SER HA 3.96 &rst ixpk= 0, nxpk= 0, iat= 419,1413, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end # # 28 HIS HE1 30 PRO HB2 5.19 &rst ixpk= 0, nxpk= 0, iat= 426, 457, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end # # 28 HIS HE1 92 SER HB3 4.57 &rst ixpk= 0, nxpk= 0, iat= 426,1386, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end # # 29 VAL H 29 VAL QG1 4.22 &rst ixpk= 0, nxpk= 0, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, igr2= 440, 441, 442, &end # # 29 VAL H 94 SER QB 4.77 &rst ixpk= 0, nxpk= 0, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, igr2=1415,1416, &end # # 29 VAL HA 29 VAL QG2 3.47 &rst ixpk= 0, nxpk= 0, iat= 436, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, igr2= 444, 445, 446, &end # # 29 VAL QG1 30 PRO HD3 4.72 &rst ixpk= 0, nxpk= 0, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 440, 441, 442, &end # # 31 CYX H 92 SER H 4.62 &rst ixpk= 0, nxpk= 0, iat= 464,1381, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end # # 31 CYX H 93 LEU H 4.35 &rst ixpk= 0, nxpk= 0, iat= 464,1392, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end # # 33 PHE HA 34 SER HA 4.73 &rst ixpk= 0, nxpk= 0, iat= 487, 507, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end # # 33 PHE HB2 34 SER H 3.87 &rst ixpk= 0, nxpk= 0, iat= 489, 505, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end # # 33 PHE HB3 34 SER H 4.58 &rst ixpk= 0, nxpk= 0, iat= 490, 505, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end # # 33 PHE QE 90 ASP H 4.59 &rst ixpk= 0, nxpk= 0, iat= -1,1359, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, igr1= 495, 499, &end # # 35 TYR HA 35 TYR QD 4.13 &rst ixpk= 0, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, igr2= 524, 533, &end # # 35 TYR QE 40 TRP HZ2 3.86 &rst ixpk= 0, nxpk= 0, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, igr1= 526, 531, &end # # 37 GLN HA 40 TRP H 4.77 &rst ixpk= 0, nxpk= 0, iat= 553, 587, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end # # 40 TRP H 115 MET QE 4.93 &rst ixpk= 0, nxpk= 0, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, igr2=1781,1782,1783, &end # # 40 TRP QB 40 TRP HE1 4.89 &rst ixpk= 0, nxpk= 0, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, igr1= 591, 592, &end # # 41 THR HB 42 ASP H 3.19 &rst ixpk= 0, nxpk= 0, iat= 615, 625, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end # # 43 SER H 43 SER HB3 3.63 &rst ixpk= 0, nxpk= 0, iat= 637, 642, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end # # 44 ASP HB3 45 PRO HD2 5.27 &rst ixpk= 0, nxpk= 0, iat= 653, 661, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end # # 47 HIS HA 47 HIS HD2 3.58 &rst ixpk= 0, nxpk= 0, iat= 692, 703, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end # # 47 HIS HD2 68 PRO HD3 5.18 &rst ixpk= 0, nxpk= 0, iat= 703,1014, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end # # 49 TYR QD 67 ASN H 5.21 &rst ixpk= 0, nxpk= 0, iat= -1, 998, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, igr1= 722, 731, &end # # 49 TYR QE 65 THR QG2 3.94 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, igr1= 724, 729, igr2= 976, 977, 978, &end # # 49 TYR QE 70 ARG HG3 4.48 &rst ixpk= 0, nxpk= 0, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr1= 724, 729, &end # # 4 ASP HA 5 ARG HA 4.81 &rst ixpk= 0, nxpk= 0, iat= 45, 57, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end # # 50 TRP H 51 PHE HA 5.45 &rst ixpk= 0, nxpk= 0, iat= 735, 761, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end # # 50 TRP HA 50 TRP HD1 4.73 &rst ixpk= 0, nxpk= 0, iat= 737, 743, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end # # 52 ARG HG2 53 ALA H 4.09 &rst ixpk= 0, nxpk= 0, iat= 786, 803, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end # # 53 ALA H 107 PHE QD 4.31 &rst ixpk= 0, nxpk= 0, iat= 803, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, igr2=1638,1646, &end # # 53 ALA QB 129 GLN HE21 4.02 &rst ixpk= 0, nxpk= 0, iat= -1,2040, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr1= 807, 808, 809, &end # # 5 ARG HB3 5 ARG QD 3.41 &rst ixpk= 0, nxpk= 0, iat= 60, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, igr2= 65, 66, &end # # 5 ARG HB3 9 ASP HB3 4.69 &rst ixpk= 0, nxpk= 0, iat= 60, 129, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end # # 61 ALA HA 72 VAL HA 4.84 &rst ixpk= 0, nxpk= 0, iat= 922,1079, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end # # 63 VAL HA 73 GLN HG2 3.71 &rst ixpk= 0, nxpk= 0, iat= 946,1100, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end # # 63 VAL QG2 107 PHE H 5.08 &rst ixpk= 0, nxpk= 0, iat= -1,1630, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, igr1= 954, 955, 956, &end # # 63 VAL QG2 76 THR QG2 3.82 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, igr1= 954, 955, 956, igr2=1141,1142,1143, &end # # 63 VAL QG2 93 LEU QD2 4.40 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85, igr1= 954, 955, 956, igr2=1405,1406,1407, &end # # 68 PRO HD2 69 ASP H 3.78 &rst ixpk= 0, nxpk= 0, iat=1013,1026, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end # # 68 PRO HG2 69 ASP H 3.59 &rst ixpk= 0, nxpk= 0, iat=1016,1026, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end # # 71 GLU H 71 GLU QB 3.06 &rst ixpk= 0, nxpk= 0, iat=1062, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, igr2=1066,1067, &end # # 71 GLU HG3 72 VAL QG2 4.92 &rst ixpk= 0, nxpk= 0, iat=1070, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, igr2=1087,1088,1089, &end # # 72 VAL HB 76 THR QG2 4.99 &rst ixpk= 0, nxpk= 0, iat=1081, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2=1141,1142,1143, &end # # 73 GLN HA 74 ALA H 3.04 &rst ixpk= 0, nxpk= 0, iat=1095,1110, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end # # 74 ALA QB 77 GLN QG 5.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1=1114,1115,1116, igr2=1156,1157, &end # # 76 THR H 77 GLN HA 4.86 &rst ixpk= 0, nxpk= 0, iat=1135,1151, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end # # 77 GLN H 77 GLN QB 2.96 &rst ixpk= 0, nxpk= 0, iat=1149, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, igr2=1153,1154, &end # # 77 GLN HA 80 PHE H 5.06 &rst ixpk= 0, nxpk= 0, iat=1151,1197, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end # # 79 ARG H 79 ARG HB3 4.03 &rst ixpk= 0, nxpk= 0, iat=1173,1178, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end # # 80 PHE HB3 93 LEU QD1 4.39 &rst ixpk= 0, nxpk= 0, iat=1202, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, igr2=1401,1402,1403, &end # # 80 PHE QD 93 LEU QD2 3.70 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, igr1=1205,1213, igr2=1405,1406,1407, &end # # 82 LEU QD2 93 LEU HA 4.69 &rst ixpk= 0, nxpk= 0, iat= -1,1394, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, igr1=1247,1248,1249, &end # # 83 LEU H 83 LEU HG 3.94 &rst ixpk= 0, nxpk= 0, iat=1253,1260, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end # # 85 ASP H 85 ASP HB2 3.98 &rst ixpk= 0, nxpk= 0, iat=1279,1283, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end # # 86 ILE QD1 87 TRP HE1 3.97 &rst ixpk= 0, nxpk= 0, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr1=1304,1305,1306, &end # # 8 GLY HA2 117 TRP HH2 5.14 &rst ixpk= 0, nxpk= 0, iat= 119,1824, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end # # 8 GLY HA2 125 TYR QE 4.99 &rst ixpk= 0, nxpk= 0, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, igr2=1958,1963, &end # # 93 LEU QD2 95 ILE HG13 4.49 &rst ixpk= 0, nxpk= 0, iat= -1,1433, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr1=1405,1406,1407, &end # # 95 ILE QG2 102 ASP HA 5.58 &rst ixpk= 0, nxpk= 0, iat= -1,1559, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, igr1=1428,1429,1430, &end # # 95 ILE QG2 95 ILE HG12 3.71 &rst ixpk= 0, nxpk= 0, iat= -1,1432, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, igr1=1428,1429,1430, &end # # 99 ARG H 134 VAL QG1 4.32 &rst ixpk= 0, nxpk= 0, iat=1487, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr2=2116,2117,2118, &end # # 99 ARG HA 100 LYS H 3.41 &rst ixpk= 0, nxpk= 0, iat=1489,1511, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 9 ASP HA 10 GLY H 3.05 &rst ixpk= 0, nxpk= 0, iat= 126, 136, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end # # 103 LYS H 106 TYR HH 5.30 &rst ixpk= 0, nxpk= 0, iat=1569,1622, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 103 LYS HA 103 LYS HD2 4.97 &rst ixpk= 0, nxpk= 0, iat=1571,1579, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end # # 103 LYS HA 133 PHE HA 3.92 &rst ixpk= 0, nxpk= 0, iat=1571,2092, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end # # 103 LYS QE 133 PHE QE 3.63 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, igr1=1582,1583, igr2=2100,2104, &end # # 104 GLY HA2 105 SER H 3.28 &rst ixpk= 0, nxpk= 0, iat=1593,1598, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end # # 106 TYR H 130 LEU HA 5.21 &rst ixpk= 0, nxpk= 0, iat=1609,2046, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end # # 107 PHE QE 109 ARG HD2 5.12 &rst ixpk= 0, nxpk= 0, iat= -1,1680, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, igr1=1640,1644, &end # # 10 GLY HA2 12 LEU HG 4.91 &rst ixpk= 0, nxpk= 0, iat= 138, 171, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end # # 110 LEU H 117 TRP HA 5.74 &rst ixpk= 0, nxpk= 0, iat=1694,1811, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, &end # # 111 GLU HA 116 LYS QD 4.34 &rst ixpk= 0, nxpk= 0, iat=1715, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, igr2=1797,1798, &end # # 112 ARG H 112 ARG HB3 4.11 &rst ixpk= 0, nxpk= 0, iat=1728,1733, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end # # 113 GLY HA3 115 MET H 4.00 &rst ixpk= 0, nxpk= 0, iat=1755,1770, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 116 LYS H 116 LYS HG2 5.00 &rst ixpk= 0, nxpk= 0, iat=1787,1794, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 116 LYS HA 116 LYS QD 6.00 &rst ixpk= 0, nxpk= 0, iat=1789, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2=1797,1798, &end # # 117 TRP HE1 119 TYR HA 4.68 &rst ixpk= 0, nxpk= 0, iat=1819,1846, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end # # 119 TYR HA 120 LYS H 3.24 &rst ixpk= 0, nxpk= 0, iat=1846,1865, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end # # 11 TYR QD 36 PRO HD2 4.79 &rst ixpk= 0, nxpk= 0, iat= -1, 538, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr1= 151, 160, &end # # 122 GLN HA 122 GLN HG3 3.58 &rst ixpk= 0, nxpk= 0, iat=1900,1906, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end # # 125 TYR QE 127 THR H 5.55 &rst ixpk= 0, nxpk= 0, iat= -1,1991, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73, igr1=1958,1963, &end # # 126 LYS H 126 LYS HB3 3.51 &rst ixpk= 0, nxpk= 0, iat=1969,1974, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end # # 126 LYS HG3 127 THR H 4.93 &rst ixpk= 0, nxpk= 0, iat=1977,1991, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end # # 126 LYS QE 127 THR H 5.80 &rst ixpk= 0, nxpk= 0, iat= -1,1991, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, igr1=1982,1983, &end # # 129 GLN HA 129 GLN HE21 5.14 &rst ixpk= 0, nxpk= 0, iat=2029,2040, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end # # 12 LEU HG 34 SER QB 4.65 &rst ixpk= 0, nxpk= 0, iat= 171, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr2= 509, 510, &end # # 130 LEU QD1 133 PHE H 5.80 &rst ixpk= 0, nxpk= 0, iat= -1,2090, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, igr1=2053,2054,2055, &end # # 133 PHE H 134 VAL QG2 5.80 &rst ixpk= 0, nxpk= 0, iat=2090, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, igr2=2120,2121,2122, &end # # 135 THR QG2 138 THR H 4.77 &rst ixpk= 0, nxpk= 0, iat= -1,2169, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, igr1=2132,2133,2134, &end # # 13 LEU QD1 109 ARG HA 5.59 &rst ixpk= 0, nxpk= 0, iat= -1,1672, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21, igr1= 192, 193, 194, &end # # 13 LEU QD2 33 PHE HA 5.41 &rst ixpk= 0, nxpk= 0, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1= 196, 197, 198, &end # # 13 LEU QD2 50 TRP HZ3 5.55 &rst ixpk= 0, nxpk= 0, iat= -1, 752, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17, igr1= 196, 197, 198, &end # # 145 ARG H 145 ARG QG 3.81 &rst ixpk= 0, nxpk= 0, iat=2267, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, igr2=2274,2275, &end # # 14 GLN QB 32 SER H 3.77 &rst ixpk= 0, nxpk= 0, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, igr1= 206, 207, &end # # 15 VAL QG1 17 GLU HA 4.42 &rst ixpk= 0, nxpk= 0, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, igr1= 225, 226, 227, &end # # 16 GLN HA 17 GLU HA 4.83 &rst ixpk= 0, nxpk= 0, iat= 237, 254, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end # # 16 GLN HE21 18 LEU H 4.48 &rst ixpk= 0, nxpk= 0, iat= 248, 267, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end # # 19 VAL HB 29 VAL QG2 3.75 &rst ixpk= 0, nxpk= 0, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr2= 444, 445, 446, &end # # 19 VAL QG2 130 LEU HG 5.09 &rst ixpk= 0, nxpk= 0, iat= -1,2051, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, igr1= 296, 297, 298, &end # # 22 GLN QB 137 LEU HA 4.28 &rst ixpk= 0, nxpk= 0, iat= -1,2152, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1= 336, 337, &end # # 23 GLU HA 24 GLY HA3 4.95 &rst ixpk= 0, nxpk= 0, iat= 351, 367, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end # # 23 GLU HB3 137 LEU HA 5.75 &rst ixpk= 0, nxpk= 0, iat= 354,2152, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end # # 23 GLU HG2 99 ARG HA 4.92 &rst ixpk= 0, nxpk= 0, iat= 356,1489, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end # # 24 GLY H 134 VAL QG2 5.75 &rst ixpk= 0, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41, igr2=2120,2121,2122, &end # # 26 SER H 26 SER HB2 3.63 &rst ixpk= 0, nxpk= 0, iat= 390, 394, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end # # 26 SER HB3 96 ARG QB 4.62 &rst ixpk= 0, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr2=1445,1446, &end # # 27 VAL QG1 98 ALA H 4.90 &rst ixpk= 0, nxpk= 0, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1= 407, 408, 409, &end # # 28 HIS HA 94 SER QB 4.31 &rst ixpk= 0, nxpk= 0, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, igr2=1415,1416, &end # # 28 HIS HD2 95 ILE H 5.80 &rst ixpk= 0, nxpk= 0, iat= 430,1422, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 28 HIS QB 83 LEU QD1 4.91 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, igr1= 421, 422, igr2=1262,1263,1264, &end # # 29 VAL HB 93 LEU HB3 4.00 &rst ixpk= 0, nxpk= 0, iat= 438,1397, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 29 VAL QG2 95 ILE HG13 4.85 &rst ixpk= 0, nxpk= 0, iat= -1,1433, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, igr1= 444, 445, 446, &end # # 31 CYX H 92 SER HB3 4.39 &rst ixpk= 0, nxpk= 0, iat= 464,1386, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end # # 33 PHE H 33 PHE QD 4.01 &rst ixpk= 0, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr2= 493, 501, &end # # 33 PHE QD 110 LEU QD2 4.69 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82, igr1= 493, 501, igr2=1707,1708,1709, &end # # 36 PRO HB3 38 ASP H 4.86 &rst ixpk= 0, nxpk= 0, iat= 545, 568, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end # # 37 GLN HA 40 TRP HZ2 3.26 &rst ixpk= 0, nxpk= 0, iat= 553, 600, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end # # 37 GLN HG2 37 GLN HE21 3.71 &rst ixpk= 0, nxpk= 0, iat= 558, 564, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end # # 38 ASP H 38 ASP HB2 3.52 &rst ixpk= 0, nxpk= 0, iat= 568, 572, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end # # 40 TRP H 40 TRP HD1 3.44 &rst ixpk= 0, nxpk= 0, iat= 587, 595, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end # # 40 TRP HA 115 MET H 4.82 &rst ixpk= 0, nxpk= 0, iat= 589,1770, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end # # 42 ASP H 42 ASP HB2 3.54 &rst ixpk= 0, nxpk= 0, iat= 625, 629, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 44 ASP H 44 ASP HB2 3.59 &rst ixpk= 0, nxpk= 0, iat= 648, 652, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end # # 46 VAL QG2 112 ARG HE 4.95 &rst ixpk= 0, nxpk= 0, iat= -1,1741, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr1= 684, 685, 686, &end # # 48 GLY HA2 111 GLU H 4.52 &rst ixpk= 0, nxpk= 0, iat= 709,1713, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end # # 49 TYR QE 67 ASN HD21 4.94 &rst ixpk= 0, nxpk= 0, iat= -1,1008, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr1= 724, 729, &end # # 50 TRP H 62 PRO HB2 4.41 &rst ixpk= 0, nxpk= 0, iat= 735, 937, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end # # 50 TRP HA 51 PHE QD 5.00 &rst ixpk= 0, nxpk= 0, iat= 737, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2= 767, 775, &end # # 50 TRP HD1 82 LEU HA 5.80 &rst ixpk= 0, nxpk= 0, iat= 743,1236, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 50 TRP HD1 93 LEU HA 5.80 &rst ixpk= 0, nxpk= 0, iat= 743,1394, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 50 TRP HE3 108 PHE HA 5.11 &rst ixpk= 0, nxpk= 0, iat= 754,1652, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end # # 50 TRP HE3 63 VAL QG2 4.52 &rst ixpk= 0, nxpk= 0, iat= 754, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr2= 954, 955, 956, &end # # 51 PHE QE 109 ARG HG2 5.74 &rst ixpk= 0, nxpk= 0, iat= -1,1677, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94, igr1= 769, 773, &end # # 52 ARG H 52 ARG HG3 4.53 &rst ixpk= 0, nxpk= 0, iat= 779, 787, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end # # 52 ARG HG3 106 TYR QE 4.13 &rst ixpk= 0, nxpk= 0, iat= 787, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, igr2=1619,1624, &end # # 56 ARG HA 107 PHE HZ 4.78 &rst ixpk= 0, nxpk= 0, iat= 834,1642, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end # # 63 VAL HA 80 PHE QD 5.10 &rst ixpk= 0, nxpk= 0, iat= 946, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, igr2=1205,1213, &end # # 64 ALA H 72 VAL QG1 4.09 &rst ixpk= 0, nxpk= 0, iat= 960, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, igr2=1083,1084,1085, &end # # 64 ALA QB 80 PHE QD 3.57 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, igr1= 964, 965, 966, igr2=1205,1213, &end # # 64 ALA QB 82 LEU HG 4.93 &rst ixpk= 0, nxpk= 0, iat= -1,1241, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, igr1= 964, 965, 966, &end # # 65 THR H 65 THR QG2 3.29 &rst ixpk= 0, nxpk= 0, iat= 970, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, igr2= 976, 977, 978, &end # # 65 THR HA 67 ASN H 4.55 &rst ixpk= 0, nxpk= 0, iat= 972, 998, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end # # 65 THR HA 82 LEU HB2 4.74 &rst ixpk= 0, nxpk= 0, iat= 972,1238, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end # # 66 ASN H 82 LEU QD1 3.93 &rst ixpk= 0, nxpk= 0, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2=1243,1244,1245, &end # # 67 ASN HA 67 ASN HD22 5.14 &rst ixpk= 0, nxpk= 0, iat=1000,1007, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end # # 6 GLN H 9 ASP HB2 4.19 &rst ixpk= 0, nxpk= 0, iat= 79, 128, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end # # 6 GLN HG3 9 ASP H 4.84 &rst ixpk= 0, nxpk= 0, iat= 87, 124, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end # # 71 GLU HG2 72 VAL HA 5.51 &rst ixpk= 0, nxpk= 0, iat=1069,1079, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end # # 73 GLN H 76 THR H 4.99 &rst ixpk= 0, nxpk= 0, iat=1093,1135, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end # # 73 GLN HA 74 ALA HA 4.68 &rst ixpk= 0, nxpk= 0, iat=1095,1112, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end # # 73 GLN HB2 76 THR QG2 4.82 &rst ixpk= 0, nxpk= 0, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, igr2=1141,1142,1143, &end # # 74 ALA QB 75 GLU QB 4.45 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=1114,1115,1116, igr2=1124,1125, &end # # 75 GLU H 75 GLU QB 3.11 &rst ixpk= 0, nxpk= 0, iat=1120, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, igr2=1124,1125, &end # # 79 ARG HD2 97 ASP HB2 5.21 &rst ixpk= 0, nxpk= 0, iat=1183,1469, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end # # 7 TYR H 7 TYR HB2 3.34 &rst ixpk= 0, nxpk= 0, iat= 96, 100, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end # # 7 TYR QD 125 TYR HA 4.96 &rst ixpk= 0, nxpk= 0, iat= -1,1950, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr1= 104, 113, &end # # 7 TYR QE 117 TRP HH2 3.98 &rst ixpk= 0, nxpk= 0, iat= -1,1824, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr1= 106, 111, &end # # 80 PHE HZ 95 ILE HG12 4.29 &rst ixpk= 0, nxpk= 0, iat=1209,1432, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end # # 82 LEU H 93 LEU QD1 5.16 &rst ixpk= 0, nxpk= 0, iat=1234, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, igr2=1401,1402,1403, &end # # 82 LEU QD2 91 CYX HA 4.81 &rst ixpk= 0, nxpk= 0, iat= -1,1373, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, igr1=1247,1248,1249, &end # # 83 LEU QD1 93 LEU H 5.75 &rst ixpk= 0, nxpk= 0, iat= -1,1392, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41, igr1=1262,1263,1264, &end # # 88 SER H 89 ASN H 4.18 &rst ixpk= 0, nxpk= 0, iat=1334,1345, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end # # 91 CYX H 92 SER HA 4.90 &rst ixpk= 0, nxpk= 0, iat=1371,1383, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 94 SER QB 95 ILE H 4.09 &rst ixpk= 0, nxpk= 0, iat= -1,1422, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, igr1=1415,1416, &end # # 95 ILE QD1 132 VAL HA 5.05 &rst ixpk= 0, nxpk= 0, iat= -1,2076, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, igr1=1435,1436,1437, &end # # 98 ALA HA 99 ARG H 3.38 &rst ixpk= 0, nxpk= 0, iat=1479,1487, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end # # 99 ARG HB3 102 ASP H 4.95 &rst ixpk= 0, nxpk= 0, iat=1492,1557, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end # # 9 ASP H 11 TYR QD 4.32 &rst ixpk= 0, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr2= 151, 160, &end # # 100 LYS H 101 ARG HA 5.80 &rst ixpk= 0, nxpk= 0, iat=1511,1535, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 100 LYS HA 134 VAL HB 3.35 &rst ixpk= 0, nxpk= 0, iat=1513,2114, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end # # 101 ARG H 103 LYS H 4.95 &rst ixpk= 0, nxpk= 0, iat=1533,1569, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end # # 102 ASP H 102 ASP HB3 3.91 &rst ixpk= 0, nxpk= 0, iat=1557,1562, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end # # 102 ASP HA 106 TYR QE 4.79 &rst ixpk= 0, nxpk= 0, iat=1559, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr2=1619,1624, &end # # 103 LYS H 134 VAL H 4.90 &rst ixpk= 0, nxpk= 0, iat=1569,2110, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 103 LYS HA 104 GLY H 3.11 &rst ixpk= 0, nxpk= 0, iat=1571,1591, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end # # 103 LYS HB2 133 PHE HA 3.96 &rst ixpk= 0, nxpk= 0, iat=1573,2092, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end # # 103 LYS HB2 134 VAL QG2 3.88 &rst ixpk= 0, nxpk= 0, iat=1573, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr2=2120,2121,2122, &end # # 103 LYS HD3 134 VAL H 5.22 &rst ixpk= 0, nxpk= 0, iat=1580,2110, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end # # 103 LYS HD2 134 VAL QG2 5.47 &rst ixpk= 0, nxpk= 0, iat=1579, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07, igr2=2120,2121,2122, &end # # 103 LYS QE 104 GLY H 5.70 &rst ixpk= 0, nxpk= 0, iat= -1,1591, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, igr1=1582,1583, &end # # 103 LYS QE 133 PHE HZ 4.75 &rst ixpk= 0, nxpk= 0, iat= -1,2102, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, igr1=1582,1583, &end # # 104 GLY H 134 VAL QG2 5.22 &rst ixpk= 0, nxpk= 0, iat=1591, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, igr2=2120,2121,2122, &end # # 105 SER HA 131 SER HB2 4.78 &rst ixpk= 0, nxpk= 0, iat=1600,2067, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end # # 106 TYR HA 107 PHE HA 5.22 &rst ixpk= 0, nxpk= 0, iat=1611,1632, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end # # 106 TYR HB2 130 LEU H 5.15 &rst ixpk= 0, nxpk= 0, iat=1613,2044, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end # # 108 PHE H 119 TYR HB2 4.66 &rst ixpk= 0, nxpk= 0, iat=1650,1848, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end # # 109 ARG HA 119 TYR H 4.13 &rst ixpk= 0, nxpk= 0, iat=1672,1844, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end # # 109 ARG HD3 110 LEU H 5.51 &rst ixpk= 0, nxpk= 0, iat=1681,1694, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end # # 109 ARG HG3 119 TYR H 5.05 &rst ixpk= 0, nxpk= 0, iat=1678,1844, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end # # 110 LEU H 110 LEU QD2 5.20 &rst ixpk= 0, nxpk= 0, iat=1694, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74, igr2=1707,1708,1709, &end # # 110 LEU H 118 SER HA 4.14 &rst ixpk= 0, nxpk= 0, iat=1694,1835, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end # # 110 LEU HA 110 LEU QD1 4.04 &rst ixpk= 0, nxpk= 0, iat=1696, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr2=1703,1704,1705, &end # # 110 LEU QD1 111 GLU HA 4.88 &rst ixpk= 0, nxpk= 0, iat= -1,1715, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, igr1=1703,1704,1705, &end # # 110 LEU QD1 112 ARG H 4.11 &rst ixpk= 0, nxpk= 0, iat= -1,1728, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, igr1=1703,1704,1705, &end # # 115 MET H 116 LYS HA 5.49 &rst ixpk= 0, nxpk= 0, iat=1770,1789, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end # # 116 LYS HA 116 LYS HG3 4.03 &rst ixpk= 0, nxpk= 0, iat=1789,1795, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end # # 117 TRP HB2 117 TRP HE3 4.03 &rst ixpk= 0, nxpk= 0, iat=1813,1828, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end # # 117 TRP HE1 119 TYR HB3 5.66 &rst ixpk= 0, nxpk= 0, iat=1819,1849, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end # # 11 TYR HA 12 LEU HA 4.96 &rst ixpk= 0, nxpk= 0, iat= 145, 166, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end # # 11 TYR QE 36 PRO HD2 4.65 &rst ixpk= 0, nxpk= 0, iat= -1, 538, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr1= 153, 158, &end # # 120 LYS H 127 THR QG2 3.44 &rst ixpk= 0, nxpk= 0, iat=1865, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, igr2=1997,1998,1999, &end # # 120 LYS HA 127 THR QG2 4.01 &rst ixpk= 0, nxpk= 0, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, igr2=1997,1998,1999, &end # # 120 LYS HB3 129 GLN HE22 4.24 &rst ixpk= 0, nxpk= 0, iat=1870,2039, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end # # 121 SER HA 127 THR QG2 4.89 &rst ixpk= 0, nxpk= 0, iat=1889, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, igr2=1997,1998,1999, &end # # 121 SER HB2 122 GLN H 3.89 &rst ixpk= 0, nxpk= 0, iat=1891,1898, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end # # 123 LEU HB2 124 ASN H 3.55 &rst ixpk= 0, nxpk= 0, iat=1919,1934, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end # # 125 TYR HB3 126 LYS H 4.62 &rst ixpk= 0, nxpk= 0, iat=1953,1969, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end # # 126 LYS HA 127 THR QG2 4.99 &rst ixpk= 0, nxpk= 0, iat=1971, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2=1997,1998,1999, &end # # 127 THR HA 127 THR HB 2.94 &rst ixpk= 0, nxpk= 0, iat=1993,1995, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end # # 127 THR QG2 129 GLN HE21 4.80 &rst ixpk= 0, nxpk= 0, iat= -1,2040, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, igr1=1997,1998,1999, &end # # 128 LYS QD 129 GLN H 4.56 &rst ixpk= 0, nxpk= 0, iat= -1,2027, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, igr1=2015,2016, &end # # 129 GLN HA 130 LEU H 3.42 &rst ixpk= 0, nxpk= 0, iat=2029,2044, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end # # 12 LEU HB3 34 SER QB 4.19 &rst ixpk= 0, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, igr2= 509, 510, &end # # 12 LEU QD1 14 GLN HE22 4.21 &rst ixpk= 0, nxpk= 0, iat= -1, 214, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr1= 173, 174, 175, &end # # 130 LEU HA 131 SER HB3 5.45 &rst ixpk= 0, nxpk= 0, iat=2046,2068, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end # # 132 VAL QG2 133 PHE H 4.23 &rst ixpk= 0, nxpk= 0, iat= -1,2090, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr1=2084,2085,2086, &end # # 133 PHE HA 133 PHE QE 4.85 &rst ixpk= 0, nxpk= 0, iat=2092, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, igr2=2100,2104, &end # # 134 VAL H 134 VAL HB 3.48 &rst ixpk= 0, nxpk= 0, iat=2110,2114, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end # # 134 VAL HA 135 THR H 3.11 &rst ixpk= 0, nxpk= 0, iat=2112,2126, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end # # 135 THR HA 136 ALA QB 4.34 &rst ixpk= 0, nxpk= 0, iat=2128, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, igr2=2144,2145,2146, &end # # 135 THR QG2 137 LEU HA 4.55 &rst ixpk= 0, nxpk= 0, iat= -1,2152, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, igr1=2132,2133,2134, &end # # 136 ALA HA 137 LEU HB2 4.86 &rst ixpk= 0, nxpk= 0, iat=2142,2154, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end # # 137 LEU HA 138 THR QG2 4.94 &rst ixpk= 0, nxpk= 0, iat=2152, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, igr2=2175,2176,2177, &end # # 13 LEU H 14 GLN H 4.81 &rst ixpk= 0, nxpk= 0, iat= 183, 202, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end # # 13 LEU HB2 13 LEU QD1 4.14 &rst ixpk= 0, nxpk= 0, iat= 187, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr2= 192, 193, 194, &end # # 141 SER HA 142 LEU HB2 5.22 &rst ixpk= 0, nxpk= 0, iat=2209,2222, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end # # 142 LEU QD1 143 VAL H 4.47 &rst ixpk= 0, nxpk= 0, iat= -1,2237, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr1=2227,2228,2229, &end # # 144 PRO HA 145 ARG HA 4.90 &rst ixpk= 0, nxpk= 0, iat=2263,2269, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 144 PRO HB2 145 ARG H 4.60 &rst ixpk= 0, nxpk= 0, iat=2260,2267, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 15 VAL QG1 18 LEU H 5.80 &rst ixpk= 0, nxpk= 0, iat= -1, 267, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, igr1= 225, 226, 227, &end # # 15 VAL QG1 50 TRP HZ2 4.60 &rst ixpk= 0, nxpk= 0, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, igr1= 225, 226, 227, &end # # 15 VAL QG2 50 TRP HH2 3.96 &rst ixpk= 0, nxpk= 0, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr1= 229, 230, 231, &end # # 17 GLU HB2 18 LEU H 3.58 &rst ixpk= 0, nxpk= 0, iat= 256, 267, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end # # 17 GLU QG 128 LYS QE 4.20 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, igr1= 259, 260, igr2=2018,2019, &end # # 18 LEU HA 19 VAL HA 4.77 &rst ixpk= 0, nxpk= 0, iat= 269, 288, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end # # 18 LEU QD1 131 SER H 5.30 &rst ixpk= 0, nxpk= 0, iat= -1,2063, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 276, 277, 278, &end # # 18 LEU QD1 132 VAL QG1 5.36 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23, igr1= 276, 277, 278, igr2=2080,2081,2082, &end # # 18 LEU QD1 20 THR H 4.83 &rst ixpk= 0, nxpk= 0, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr1= 276, 277, 278, &end # # 19 VAL H 131 SER HA 6.00 &rst ixpk= 0, nxpk= 0, iat= 286,2065, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 19 VAL H 132 VAL HA 3.87 &rst ixpk= 0, nxpk= 0, iat= 286,2076, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end # # 19 VAL QG2 130 LEU QD1 3.07 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, igr1= 296, 297, 298, igr2=2053,2054,2055, &end # # 20 THR HA 21 VAL HB 4.71 &rst ixpk= 0, nxpk= 0, iat= 304, 320, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end # # 20 THR HB 133 PHE HB3 5.29 &rst ixpk= 0, nxpk= 0, iat= 306,2095, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end # # 21 VAL H 134 VAL H 5.25 &rst ixpk= 0, nxpk= 0, iat= 316,2110, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end # # 21 VAL HA 22 GLN H 3.08 &rst ixpk= 0, nxpk= 0, iat= 318, 332, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end # # 21 VAL HB 27 VAL QG2 4.02 &rst ixpk= 0, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr2= 411, 412, 413, &end # # 21 VAL QG2 27 VAL HA 4.06 &rst ixpk= 0, nxpk= 0, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, igr1= 326, 327, 328, &end # # 22 GLN HA 23 GLU HB2 4.75 &rst ixpk= 0, nxpk= 0, iat= 334, 353, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end # # 22 GLN HG2 22 GLN HE21 3.48 &rst ixpk= 0, nxpk= 0, iat= 339, 345, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end # # 23 GLU H 134 VAL QG2 5.80 &rst ixpk= 0, nxpk= 0, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, igr2=2120,2121,2122, &end # # 23 GLU H 137 LEU HA 4.32 &rst ixpk= 0, nxpk= 0, iat= 349,2152, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end # # 23 GLU HA 134 VAL QG2 4.40 &rst ixpk= 0, nxpk= 0, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr2=2120,2121,2122, &end # # 23 GLU HB3 137 LEU H 3.81 &rst ixpk= 0, nxpk= 0, iat= 354,2150, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end # # 25 LEU H 97 ASP H 5.30 &rst ixpk= 0, nxpk= 0, iat= 371,1465, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 25 LEU H 98 ALA H 3.75 &rst ixpk= 0, nxpk= 0, iat= 371,1477, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end # # 25 LEU HA 26 SER H 3.28 &rst ixpk= 0, nxpk= 0, iat= 373, 390, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end # # 25 LEU HB3 25 LEU QD2 3.49 &rst ixpk= 0, nxpk= 0, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, igr2= 384, 385, 386, &end # # 25 LEU QD2 26 SER HA 4.15 &rst ixpk= 0, nxpk= 0, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, igr1= 384, 385, 386, &end # # 27 VAL H 94 SER HA 4.81 &rst ixpk= 0, nxpk= 0, iat= 401,1413, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end # # 27 VAL HA 28 HIS H 3.01 &rst ixpk= 0, nxpk= 0, iat= 403, 417, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end # # 27 VAL HA 94 SER HA 6.00 &rst ixpk= 0, nxpk= 0, iat= 403,1413, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 27 VAL HB 95 ILE QD1 5.24 &rst ixpk= 0, nxpk= 0, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79, igr2=1435,1436,1437, &end # # 27 VAL QG1 97 ASP H 5.80 &rst ixpk= 0, nxpk= 0, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, igr1= 407, 408, 409, &end # # 27 VAL QG2 95 ILE QD1 3.85 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, igr1= 411, 412, 413, igr2=1435,1436,1437, &end # # 28 HIS HA 29 VAL QG1 5.80 &rst ixpk= 0, nxpk= 0, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, igr2= 440, 441, 442, &end # # 29 VAL HA 30 PRO HD3 3.86 &rst ixpk= 0, nxpk= 0, iat= 436, 452, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end # # 29 VAL HA 30 PRO HG2 4.50 &rst ixpk= 0, nxpk= 0, iat= 436, 454, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 29 VAL HB 93 LEU HB2 4.89 &rst ixpk= 0, nxpk= 0, iat= 438,1396, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end # # 29 VAL QG1 130 LEU HA 5.80 &rst ixpk= 0, nxpk= 0, iat= -1,2046, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, igr1= 440, 441, 442, &end # # 32 SER HA 33 PHE H 3.27 &rst ixpk= 0, nxpk= 0, iat= 476, 485, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end # # 32 SER HB3 90 ASP HA 4.72 &rst ixpk= 0, nxpk= 0, iat= 479,1361, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end # # 33 PHE QD 90 ASP HA 5.20 &rst ixpk= 0, nxpk= 0, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr1= 493, 501, &end # # 37 GLN H 37 GLN HB2 3.19 &rst ixpk= 0, nxpk= 0, iat= 551, 555, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end # # 37 GLN HB2 40 TRP HE1 5.50 &rst ixpk= 0, nxpk= 0, iat= 555, 597, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 40 TRP QB 115 MET H 4.60 &rst ixpk= 0, nxpk= 0, iat= -1,1770, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr1= 591, 592, &end # # 44 ASP HA 45 PRO HD2 3.68 &rst ixpk= 0, nxpk= 0, iat= 650, 661, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end # # 45 PRO QB 87 TRP HZ2 5.35 &rst ixpk= 0, nxpk= 0, iat= -1,1323, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, igr1= 667, 668, &end # # 47 HIS HB3 49 TYR QE 4.58 &rst ixpk= 0, nxpk= 0, iat= 695, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr2= 724, 729, &end # # 49 TYR H 111 GLU H 5.59 &rst ixpk= 0, nxpk= 0, iat= 714,1713, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end # # 49 TYR QE 70 ARG HB3 4.51 &rst ixpk= 0, nxpk= 0, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr1= 724, 729, &end # # 50 TRP HD1 82 LEU QD2 3.24 &rst ixpk= 0, nxpk= 0, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, igr2=1247,1248,1249, &end # # 50 TRP HE3 106 TYR QD 4.37 &rst ixpk= 0, nxpk= 0, iat= 754, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, igr2=1617,1626, &end # # 50 TRP HZ2 93 LEU HB3 4.74 &rst ixpk= 0, nxpk= 0, iat= 748,1397, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end # # 51 PHE HA 106 TYR QE 5.63 &rst ixpk= 0, nxpk= 0, iat= 761, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82, igr2=1619,1624, &end # # 51 PHE QD 109 ARG HA 5.80 &rst ixpk= 0, nxpk= 0, iat= -1,1672, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, igr1= 767, 775, &end # # 52 ARG HB3 52 ARG QD 3.66 &rst ixpk= 0, nxpk= 0, iat= 784, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr2= 789, 790, &end # # 55 ASP H 55 ASP HB2 4.03 &rst ixpk= 0, nxpk= 0, iat= 820, 824, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end # # 56 ARG H 56 ARG QG 4.53 &rst ixpk= 0, nxpk= 0, iat= 832, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr2= 839, 840, &end # # 5 ARG H 5 ARG HB3 3.74 &rst ixpk= 0, nxpk= 0, iat= 55, 60, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end # # 60 ASP H 60 ASP HB2 3.84 &rst ixpk= 0, nxpk= 0, iat= 908, 912, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end # # 61 ALA HA 62 PRO HD2 3.71 &rst ixpk= 0, nxpk= 0, iat= 922, 931, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end # # 61 ALA HA 62 PRO HD3 3.97 &rst ixpk= 0, nxpk= 0, iat= 922, 932, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end # # 63 VAL QG2 106 TYR QE 3.78 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, igr1= 954, 955, 956, igr2=1619,1624, &end # # 65 THR H 82 LEU HG 4.92 &rst ixpk= 0, nxpk= 0, iat= 970,1241, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end # # 72 VAL HA 73 GLN HG2 4.30 &rst ixpk= 0, nxpk= 0, iat=1079,1100, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end # # 73 GLN HG2 73 GLN HE22 3.91 &rst ixpk= 0, nxpk= 0, iat=1100,1105, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end # # 74 ALA QB 75 GLU H 3.33 &rst ixpk= 0, nxpk= 0, iat= -1,1120, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr1=1114,1115,1116, &end # # 75 GLU QG 76 THR HA 4.53 &rst ixpk= 0, nxpk= 0, iat= -1,1137, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr1=1127,1128, &end # # 76 THR QG2 93 LEU QD2 5.72 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.25, r4= 8.75, igr1=1141,1142,1143, igr2=1405,1406,1407, &end # # 78 GLY H 79 ARG H 4.04 &rst ixpk= 0, nxpk= 0, iat=1166,1173, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end # # 80 PHE QE 95 ILE QG2 3.58 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr1=1207,1211, igr2=1428,1429,1430, &end # # 81 GLN H 83 LEU QD2 5.24 &rst ixpk= 0, nxpk= 0, iat=1217, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79, igr2=1266,1267,1268, &end # # 82 LEU H 83 LEU H 5.01 &rst ixpk= 0, nxpk= 0, iat=1234,1253, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end # # 82 LEU QD2 92 SER H 5.30 &rst ixpk= 0, nxpk= 0, iat= -1,1381, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=1247,1248,1249, &end # # 83 LEU QD1 94 SER HA 4.82 &rst ixpk= 0, nxpk= 0, iat= -1,1413, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, igr1=1262,1263,1264, &end # # 83 LEU QD2 94 SER HA 5.40 &rst ixpk= 0, nxpk= 0, iat= -1,1413, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1=1266,1267,1268, &end # # 85 ASP H 85 ASP HB3 3.98 &rst ixpk= 0, nxpk= 0, iat=1279,1284, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end # # 86 ILE QG2 88 SER H 5.52 &rst ixpk= 0, nxpk= 0, iat= -1,1334, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13, igr1=1297,1298,1299, &end # # 88 SER H 88 SER HB3 3.81 &rst ixpk= 0, nxpk= 0, iat=1334,1339, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end # # 92 SER HA 93 LEU H 3.49 &rst ixpk= 0, nxpk= 0, iat=1383,1392, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end # # 93 LEU H 130 LEU QD2 4.95 &rst ixpk= 0, nxpk= 0, iat=1392, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr2=2057,2058,2059, &end # # 93 LEU H 93 LEU QD1 4.70 &rst ixpk= 0, nxpk= 0, iat=1392, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, igr2=1401,1402,1403, &end # # 93 LEU QD1 94 SER HA 4.88 &rst ixpk= 0, nxpk= 0, iat= -1,1413, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, igr1=1401,1402,1403, &end # # 93 LEU QD2 94 SER HA 5.65 &rst ixpk= 0, nxpk= 0, iat= -1,1413, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29, igr1=1405,1406,1407, &end # # 96 ARG H 96 ARG QD 4.89 &rst ixpk= 0, nxpk= 0, iat=1441, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, igr2=1451,1452, &end # # 98 ALA QB 103 LYS H 5.80 &rst ixpk= 0, nxpk= 0, iat= -1,1569, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, igr1=1481,1482,1483, &end # # 99 ARG H 101 ARG H 5.07 &rst ixpk= 0, nxpk= 0, iat=1487,1533, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end # # 99 ARG HA 134 VAL QG1 4.80 &rst ixpk= 0, nxpk= 0, iat=1489, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, igr2=2116,2117,2118, &end # # 99 ARG HA 99 ARG QD 4.78 &rst ixpk= 0, nxpk= 0, iat=1489, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr2=1497,1498, &end # # 9 ASP HA 11 TYR H 3.73 &rst ixpk= 0, nxpk= 0, iat= 126, 143, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end # # 9 ASP HA 125 TYR QD 5.77 &rst ixpk= 0, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98, igr2=1956,1965, &end # # 9 ASP HA 12 LEU QD2 4.89 &rst ixpk= 0, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, igr2= 177, 178, 179, &end # # 100 LYS HA 102 ASP H 4.71 &rst ixpk= 0, nxpk= 0, iat=1513,1557, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end # # 101 ARG H 102 ASP H 3.98 &rst ixpk= 0, nxpk= 0, iat=1533,1557, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end # # 102 ASP H 102 ASP HB2 3.65 &rst ixpk= 0, nxpk= 0, iat=1557,1561, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end # # 102 ASP HB3 103 LYS H 4.23 &rst ixpk= 0, nxpk= 0, iat=1562,1569, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end # # 103 LYS H 132 VAL HB 5.80 &rst ixpk= 0, nxpk= 0, iat=1569,2078, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 103 LYS HB3 133 PHE HA 4.93 &rst ixpk= 0, nxpk= 0, iat=1574,2092, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end # # 103 LYS HD2 133 PHE HA 4.95 &rst ixpk= 0, nxpk= 0, iat=1579,2092, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end # # 105 SER HA 130 LEU QD2 5.72 &rst ixpk= 0, nxpk= 0, iat=1600, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37, igr2=2057,2058,2059, &end # # 106 TYR H 129 GLN HB3 4.71 &rst ixpk= 0, nxpk= 0, iat=1609,2032, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end # # 106 TYR HA 107 PHE QE 5.43 &rst ixpk= 0, nxpk= 0, iat=1611, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, igr2=1640,1644, &end # # 106 TYR HH 132 VAL QG2 4.80 &rst ixpk= 0, nxpk= 0, iat=1622, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, igr2=2084,2085,2086, &end # # 106 TYR QD 106 TYR HH 4.85 &rst ixpk= 0, nxpk= 0, iat= -1,1622, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, igr1=1617,1626, &end # # 106 TYR QD 107 PHE H 5.14 &rst ixpk= 0, nxpk= 0, iat= -1,1630, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, igr1=1617,1626, &end # # 107 PHE HA 129 GLN HA 4.63 &rst ixpk= 0, nxpk= 0, iat=1632,2029, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end # # 107 PHE HB2 108 PHE H 4.64 &rst ixpk= 0, nxpk= 0, iat=1634,1650, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end # # 107 PHE QD 109 ARG H 5.80 &rst ixpk= 0, nxpk= 0, iat= -1,1670, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, igr1=1638,1646, &end # # 107 PHE QE 120 LYS QE 5.77 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77, igr1=1640,1644, igr2=1878,1879, &end # # 10 GLY H 12 LEU QD2 4.53 &rst ixpk= 0, nxpk= 0, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, igr2= 177, 178, 179, &end # # 110 LEU H 119 TYR H 4.74 &rst ixpk= 0, nxpk= 0, iat=1694,1844, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end # # 110 LEU HA 111 GLU H 3.41 &rst ixpk= 0, nxpk= 0, iat=1696,1713, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 110 LEU HG 112 ARG H 5.22 &rst ixpk= 0, nxpk= 0, iat=1701,1728, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end # # 110 LEU QD2 119 TYR HH 4.88 &rst ixpk= 0, nxpk= 0, iat= -1,1857, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, igr1=1707,1708,1709, &end # # 110 LEU QD2 119 TYR QE 4.16 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1707,1708,1709, igr2=1854,1859, &end # # 112 ARG H 117 TRP H 6.00 &rst ixpk= 0, nxpk= 0, iat=1728,1809, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 114 SER H 115 MET HB2 4.72 &rst ixpk= 0, nxpk= 0, iat=1759,1774, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end # # 115 MET H 115 MET HG2 5.18 &rst ixpk= 0, nxpk= 0, iat=1770,1777, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end # # 117 TRP HE1 125 TYR QE 3.81 &rst ixpk= 0, nxpk= 0, iat=1819, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, igr2=1958,1963, &end # # 119 TYR HA 125 TYR QE 3.94 &rst ixpk= 0, nxpk= 0, iat=1846, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, igr2=1958,1963, &end # # 11 TYR H 125 TYR QE 4.78 &rst ixpk= 0, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr2=1958,1963, &end # # 11 TYR H 12 LEU QD1 5.66 &rst ixpk= 0, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30, igr2= 173, 174, 175, &end # # 11 TYR H 35 TYR HA 5.56 &rst ixpk= 0, nxpk= 0, iat= 143, 518, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end # # 11 TYR HA 12 LEU H 3.41 &rst ixpk= 0, nxpk= 0, iat= 145, 164, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 11 TYR HA 35 TYR HA 4.28 &rst ixpk= 0, nxpk= 0, iat= 145, 518, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end # # 11 TYR QD 119 TYR QE 5.22 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08, igr1= 151, 160, igr2=1854,1859, &end # # 120 LYS H 120 LYS HG3 4.26 &rst ixpk= 0, nxpk= 0, iat=1865,1873, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end # # 120 LYS H 120 LYS QE 4.98 &rst ixpk= 0, nxpk= 0, iat=1865, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, igr2=1878,1879, &end # # 120 LYS H 121 SER H 4.47 &rst ixpk= 0, nxpk= 0, iat=1865,1887, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end # # 120 LYS HA 129 GLN HE21 4.33 &rst ixpk= 0, nxpk= 0, iat=1867,2040, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end # # 120 LYS HB2 120 LYS QE 4.51 &rst ixpk= 0, nxpk= 0, iat=1869, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr2=1878,1879, &end # # 120 LYS HG2 120 LYS QE 3.65 &rst ixpk= 0, nxpk= 0, iat=1872, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, igr2=1878,1879, &end # # 121 SER HA 122 GLN HE21 5.62 &rst ixpk= 0, nxpk= 0, iat=1889,1911, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end # # 121 SER HA 125 TYR QD 4.12 &rst ixpk= 0, nxpk= 0, iat=1889, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, igr2=1956,1965, &end # # 121 SER HA 127 THR H 3.85 &rst ixpk= 0, nxpk= 0, iat=1889,1991, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end # # 123 LEU QD2 125 TYR H 4.63 &rst ixpk= 0, nxpk= 0, iat= -1,1948, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1=1928,1929,1930, &end # # 125 TYR H 125 TYR HB2 3.54 &rst ixpk= 0, nxpk= 0, iat=1948,1952, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 125 TYR HA 126 LYS HB3 4.97 &rst ixpk= 0, nxpk= 0, iat=1950,1974, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end # # 125 TYR QD 126 LYS H 3.59 &rst ixpk= 0, nxpk= 0, iat= -1,1969, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, igr1=1956,1965, &end # # 126 LYS H 127 THR QG2 5.34 &rst ixpk= 0, nxpk= 0, iat=1969, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91, igr2=1997,1998,1999, &end # # 126 LYS HB2 127 THR H 4.00 &rst ixpk= 0, nxpk= 0, iat=1973,1991, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 127 THR QG2 129 GLN H 5.75 &rst ixpk= 0, nxpk= 0, iat= -1,2027, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41, igr1=1997,1998,1999, &end # # 128 LYS HB2 129 GLN H 4.17 &rst ixpk= 0, nxpk= 0, iat=2009,2027, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end # # 128 LYS HB3 129 GLN H 4.17 &rst ixpk= 0, nxpk= 0, iat=2010,2027, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end # # 129 GLN HB3 130 LEU H 3.53 &rst ixpk= 0, nxpk= 0, iat=2032,2044, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end # # 12 LEU H 33 PHE HA 5.73 &rst ixpk= 0, nxpk= 0, iat= 164, 487, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end # # 130 LEU HA 131 SER H 3.20 &rst ixpk= 0, nxpk= 0, iat=2046,2063, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end # # 130 LEU HB2 130 LEU QD1 3.78 &rst ixpk= 0, nxpk= 0, iat=2048, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, igr2=2053,2054,2055, &end # # 130 LEU QD1 132 VAL H 4.48 &rst ixpk= 0, nxpk= 0, iat= -1,2074, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr1=2053,2054,2055, &end # # 130 LEU QD1 132 VAL HB 4.76 &rst ixpk= 0, nxpk= 0, iat= -1,2078, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, igr1=2053,2054,2055, &end # # 132 VAL H 133 PHE H 4.96 &rst ixpk= 0, nxpk= 0, iat=2074,2090, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end # # 132 VAL HB 133 PHE H 4.60 &rst ixpk= 0, nxpk= 0, iat=2078,2090, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 134 VAL HA 135 THR HB 5.04 &rst ixpk= 0, nxpk= 0, iat=2112,2130, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end # # 134 VAL QG1 137 LEU H 5.19 &rst ixpk= 0, nxpk= 0, iat= -1,2150, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73, igr1=2116,2117,2118, &end # # 135 THR H 136 ALA H 5.24 &rst ixpk= 0, nxpk= 0, iat=2126,2140, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end # # 135 THR QG2 136 ALA H 3.76 &rst ixpk= 0, nxpk= 0, iat= -1,2140, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, igr1=2132,2133,2134, &end # # 136 ALA H 137 LEU H 5.60 &rst ixpk= 0, nxpk= 0, iat=2140,2150, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end # # 13 LEU HA 33 PHE HA 4.23 &rst ixpk= 0, nxpk= 0, iat= 185, 487, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end # # 13 LEU HG 32 SER H 4.73 &rst ixpk= 0, nxpk= 0, iat= 190, 474, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end # # 13 LEU QD1 108 PHE HB3 3.94 &rst ixpk= 0, nxpk= 0, iat= -1,1655, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr1= 192, 193, 194, &end # # 13 LEU QD1 119 TYR HB3 4.43 &rst ixpk= 0, nxpk= 0, iat= -1,1849, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, igr1= 192, 193, 194, &end # # 13 LEU QD1 32 SER HA 5.01 &rst ixpk= 0, nxpk= 0, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, igr1= 192, 193, 194, &end # # 13 LEU QD2 15 VAL QG2 3.87 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr1= 196, 197, 198, igr2= 229, 230, 231, &end # # 143 VAL H 143 VAL QG2 3.39 &rst ixpk= 0, nxpk= 0, iat=2237, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, igr2=2247,2248,2249, &end # # 14 GLN H 14 GLN HG2 4.77 &rst ixpk= 0, nxpk= 0, iat= 202, 209, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end # # 14 GLN QB 14 GLN HE22 4.72 &rst ixpk= 0, nxpk= 0, iat= -1, 214, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 206, 207, &end # # 14 GLN QB 31 CYX HA 4.58 &rst ixpk= 0, nxpk= 0, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr1= 206, 207, &end # # 15 VAL H 31 CYX HA 5.71 &rst ixpk= 0, nxpk= 0, iat= 219, 466, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end # # 15 VAL HA 50 TRP HH2 5.80 &rst ixpk= 0, nxpk= 0, iat= 221, 750, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 15 VAL QG1 130 LEU H 4.36 &rst ixpk= 0, nxpk= 0, iat= -1,2044, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, igr1= 225, 226, 227, &end # # 15 VAL QG1 50 TRP HZ3 4.66 &rst ixpk= 0, nxpk= 0, iat= -1, 752, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, igr1= 225, 226, 227, &end # # 15 VAL QG2 16 GLN HB2 4.66 &rst ixpk= 0, nxpk= 0, iat= -1, 239, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, igr1= 229, 230, 231, &end # # 16 GLN H 16 GLN HB3 3.79 &rst ixpk= 0, nxpk= 0, iat= 235, 240, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end # # 16 GLN H 19 VAL QG2 4.89 &rst ixpk= 0, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, igr2= 296, 297, 298, &end # # 16 GLN HA 19 VAL QG2 4.73 &rst ixpk= 0, nxpk= 0, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr2= 296, 297, 298, &end # # 17 GLU H 128 LYS QE 5.70 &rst ixpk= 0, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, igr2=2018,2019, &end # # 17 GLU HA 17 GLU QG 3.36 &rst ixpk= 0, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2= 259, 260, &end # # 17 GLU HB3 18 LEU H 4.38 &rst ixpk= 0, nxpk= 0, iat= 257, 267, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end # # 17 GLU QG 128 LYS HA 5.12 &rst ixpk= 0, nxpk= 0, iat= -1,2007, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, igr1= 259, 260, &end # # 18 LEU H 18 LEU HB3 3.25 &rst ixpk= 0, nxpk= 0, iat= 267, 272, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end # # 18 LEU HA 132 VAL HA 5.80 &rst ixpk= 0, nxpk= 0, iat= 269,2076, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 19 VAL HA 19 VAL QG1 3.09 &rst ixpk= 0, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, igr2= 292, 293, 294, &end # # 19 VAL QG1 132 VAL HB 4.93 &rst ixpk= 0, nxpk= 0, iat= -1,2078, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, igr1= 292, 293, 294, &end # # 19 VAL QG1 95 ILE QD1 3.59 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, igr1= 292, 293, 294, igr2=1435,1436,1437, &end # # 21 VAL QG2 25 LEU QD1 3.89 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1= 326, 327, 328, igr2= 380, 381, 382, &end # # 22 GLN HA 22 GLN HE21 5.21 &rst ixpk= 0, nxpk= 0, iat= 334, 345, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end # # 22 GLN HA 23 GLU H 3.21 &rst ixpk= 0, nxpk= 0, iat= 334, 349, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end # # 22 GLN HE22 137 LEU HA 4.25 &rst ixpk= 0, nxpk= 0, iat= 344,2152, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end # # 23 GLU H 23 GLU HG2 4.84 &rst ixpk= 0, nxpk= 0, iat= 349, 356, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end # # 23 GLU H 24 GLY HA3 5.60 &rst ixpk= 0, nxpk= 0, iat= 349, 367, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end # # 23 GLU HA 25 LEU H 3.92 &rst ixpk= 0, nxpk= 0, iat= 351, 371, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end # # 25 LEU HB3 25 LEU QD1 3.20 &rst ixpk= 0, nxpk= 0, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, igr2= 380, 381, 382, &end # # 26 SER HA 96 ARG H 5.23 &rst ixpk= 0, nxpk= 0, iat= 392,1441, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end # # 26 SER HB2 96 ARG QG 4.82 &rst ixpk= 0, nxpk= 0, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, igr2=1448,1449, &end # # 27 VAL HA 27 VAL QG1 3.59 &rst ixpk= 0, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, igr2= 407, 408, 409, &end # # 28 HIS HD2 94 SER QB 4.30 &rst ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr2=1415,1416, &end # # 28 HIS QB 95 ILE H 5.56 &rst ixpk= 0, nxpk= 0, iat= -1,1422, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74, igr1= 421, 422, &end # # 30 PRO HA 92 SER HB2 4.08 &rst ixpk= 0, nxpk= 0, iat= 460,1385, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end # # 30 PRO HB3 92 SER HB3 5.13 &rst ixpk= 0, nxpk= 0, iat= 458,1386, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end # # 31 CYX HB3 93 LEU H 4.66 &rst ixpk= 0, nxpk= 0, iat= 469,1392, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end # # 32 SER HB2 90 ASP HA 4.72 &rst ixpk= 0, nxpk= 0, iat= 478,1361, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end # # 33 PHE QD 91 CYX H 4.46 &rst ixpk= 0, nxpk= 0, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, igr1= 493, 501, &end # # 33 PHE QD 91 CYX HA 4.84 &rst ixpk= 0, nxpk= 0, iat= -1,1373, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr1= 493, 501, &end # # 33 PHE QE 110 LEU QD2 4.10 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1= 495, 499, igr2=1707,1708,1709, &end # # 33 PHE QE 35 TYR QE 3.47 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, igr1= 495, 499, igr2= 526, 531, &end # # 34 SER H 35 TYR QE 5.80 &rst ixpk= 0, nxpk= 0, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, igr2= 526, 531, &end # # 35 TYR QD 36 PRO HD2 4.54 &rst ixpk= 0, nxpk= 0, iat= -1, 538, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, igr1= 524, 533, &end # # 36 PRO HA 37 GLN HB2 4.79 &rst ixpk= 0, nxpk= 0, iat= 547, 555, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end # # 36 PRO HB2 38 ASP H 3.71 &rst ixpk= 0, nxpk= 0, iat= 544, 568, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end # # 37 GLN HA 38 ASP H 3.40 &rst ixpk= 0, nxpk= 0, iat= 553, 568, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end # # 37 GLN HG3 38 ASP H 5.05 &rst ixpk= 0, nxpk= 0, iat= 559, 568, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end # # 38 ASP HA 40 TRP H 4.01 &rst ixpk= 0, nxpk= 0, iat= 570, 587, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end # # 40 TRP H 114 SER H 5.00 &rst ixpk= 0, nxpk= 0, iat= 587,1759, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 40 TRP QB 114 SER H 4.23 &rst ixpk= 0, nxpk= 0, iat= -1,1759, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, igr1= 591, 592, &end # # 42 ASP HB3 43 SER H 6.00 &rst ixpk= 0, nxpk= 0, iat= 630, 637, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 42 ASP HB2 43 SER H 4.12 &rst ixpk= 0, nxpk= 0, iat= 629, 637, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end # # 44 ASP HA 113 GLY H 6.00 &rst ixpk= 0, nxpk= 0, iat= 650,1752, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 44 ASP HB3 113 GLY H 4.34 &rst ixpk= 0, nxpk= 0, iat= 653,1752, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end # # 49 TYR H 109 ARG H 4.23 &rst ixpk= 0, nxpk= 0, iat= 714,1670, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end # # 49 TYR HA 82 LEU QD1 4.09 &rst ixpk= 0, nxpk= 0, iat= 716, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, igr2=1243,1244,1245, &end # # 49 TYR HB3 50 TRP H 4.26 &rst ixpk= 0, nxpk= 0, iat= 719, 735, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end # # 50 TRP H 51 PHE QD 4.92 &rst ixpk= 0, nxpk= 0, iat= 735, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, igr2= 767, 775, &end # # 50 TRP H 65 THR HB 4.63 &rst ixpk= 0, nxpk= 0, iat= 735, 974, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end # # 50 TRP HA 51 PHE H 3.40 &rst ixpk= 0, nxpk= 0, iat= 737, 759, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end # # 50 TRP HD1 63 VAL QG2 5.34 &rst ixpk= 0, nxpk= 0, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91, igr2= 954, 955, 956, &end # # 50 TRP HE1 91 CYX QB 4.47 &rst ixpk= 0, nxpk= 0, iat= 745, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, igr2=1375,1376, &end # # 50 TRP HE3 130 LEU H 5.80 &rst ixpk= 0, nxpk= 0, iat= 754,2044, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 50 TRP HH2 93 LEU QD2 4.96 &rst ixpk= 0, nxpk= 0, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, igr2=1405,1406,1407, &end # # 50 TRP HZ3 106 TYR HB3 5.19 &rst ixpk= 0, nxpk= 0, iat= 752,1614, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end # # 51 PHE H 63 VAL QG1 4.95 &rst ixpk= 0, nxpk= 0, iat= 759, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr2= 950, 951, 952, &end # # 51 PHE QD 109 ARG H 5.38 &rst ixpk= 0, nxpk= 0, iat= -1,1670, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, igr1= 767, 775, &end # # 52 ARG HA 52 ARG QD 4.24 &rst ixpk= 0, nxpk= 0, iat= 781, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr2= 789, 790, &end # # 52 ARG HB3 106 TYR QD 4.82 &rst ixpk= 0, nxpk= 0, iat= 784, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, igr2=1617,1626, &end # # 53 ALA H 106 TYR HB2 5.32 &rst ixpk= 0, nxpk= 0, iat= 803,1613, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end # # 53 ALA HA 55 ASP H 4.90 &rst ixpk= 0, nxpk= 0, iat= 805, 820, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 56 ARG QG 60 ASP H 5.56 &rst ixpk= 0, nxpk= 0, iat= -1, 908, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74, igr1= 839, 840, &end # # 58 TYR QE 59 GLN QG 4.40 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr1= 880, 885, igr2= 898, 899, &end # # 59 GLN HA 59 GLN QG 3.29 &rst ixpk= 0, nxpk= 0, iat= 893, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, igr2= 898, 899, &end # # 5 ARG HA 6 GLN HG3 4.39 &rst ixpk= 0, nxpk= 0, iat= 57, 87, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end # # 5 ARG HB3 6 GLN H 4.00 &rst ixpk= 0, nxpk= 0, iat= 60, 79, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 5 ARG HB2 6 GLN HA 5.08 &rst ixpk= 0, nxpk= 0, iat= 59, 81, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end # # 5 ARG HB2 9 ASP HB2 4.86 &rst ixpk= 0, nxpk= 0, iat= 59, 128, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end # # 5 ARG QD 9 ASP H 4.72 &rst ixpk= 0, nxpk= 0, iat= -1, 124, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 65, 66, &end # # 5 ARG QD 9 ASP HB3 4.83 &rst ixpk= 0, nxpk= 0, iat= -1, 129, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, igr1= 65, 66, &end # # 60 ASP HB3 61 ALA H 3.61 &rst ixpk= 0, nxpk= 0, iat= 913, 920, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end # # 60 ASP HB3 73 GLN HE22 4.51 &rst ixpk= 0, nxpk= 0, iat= 913,1105, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end # # 61 ALA H 61 ALA QB 3.07 &rst ixpk= 0, nxpk= 0, iat= 920, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, igr2= 924, 925, 926, &end # # 61 ALA QB 73 GLN HA 3.26 &rst ixpk= 0, nxpk= 0, iat= -1,1095, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, igr1= 924, 925, 926, &end # # 63 VAL HA 73 GLN HG3 4.62 &rst ixpk= 0, nxpk= 0, iat= 946,1101, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end # # 63 VAL QG2 106 TYR QD 3.61 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, igr1= 954, 955, 956, igr2=1617,1626, &end # # 64 ALA HA 72 VAL QG1 3.74 &rst ixpk= 0, nxpk= 0, iat= 962, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr2=1083,1084,1085, &end # # 64 ALA HA 82 LEU HG 4.78 &rst ixpk= 0, nxpk= 0, iat= 962,1241, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end # # 64 ALA QB 76 THR HB 4.81 &rst ixpk= 0, nxpk= 0, iat= -1,1139, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, igr1= 964, 965, 966, &end # # 65 THR H 72 VAL QG1 3.53 &rst ixpk= 0, nxpk= 0, iat= 970, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr2=1083,1084,1085, &end # # 65 THR HA 82 LEU QD1 3.14 &rst ixpk= 0, nxpk= 0, iat= 972, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2=1243,1244,1245, &end # # 65 THR HB 67 ASN H 4.75 &rst ixpk= 0, nxpk= 0, iat= 974, 998, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end # # 67 ASN HA 68 PRO HD3 4.08 &rst ixpk= 0, nxpk= 0, iat=1000,1014, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end # # 69 ASP H 69 ASP HB2 3.24 &rst ixpk= 0, nxpk= 0, iat=1026,1030, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end # # 6 GLN H 9 ASP H 4.52 &rst ixpk= 0, nxpk= 0, iat= 79, 124, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end # # 70 ARG H 70 ARG HB3 3.57 &rst ixpk= 0, nxpk= 0, iat=1038,1043, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end # # 71 GLU HG2 72 VAL H 4.13 &rst ixpk= 0, nxpk= 0, iat=1069,1077, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end # # 71 GLU QB 72 VAL H 3.24 &rst ixpk= 0, nxpk= 0, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, igr1=1066,1067, &end # # 72 VAL QG2 76 THR H 4.12 &rst ixpk= 0, nxpk= 0, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1=1087,1088,1089, &end # # 76 THR H 77 GLN H 3.09 &rst ixpk= 0, nxpk= 0, iat=1135,1149, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end # # 76 THR HA 80 PHE HB2 4.30 &rst ixpk= 0, nxpk= 0, iat=1137,1201, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end # # 76 THR HA 80 PHE QD 3.80 &rst ixpk= 0, nxpk= 0, iat=1137, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, igr2=1205,1213, &end # # 7 TYR H 124 ASN HD22 5.03 &rst ixpk= 0, nxpk= 0, iat= 96,1943, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end # # 7 TYR H 9 ASP H 5.54 &rst ixpk= 0, nxpk= 0, iat= 96, 124, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end # # 7 TYR QD 125 TYR H 3.92 &rst ixpk= 0, nxpk= 0, iat= -1,1948, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr1= 104, 113, &end # # 7 TYR QE 122 GLN QB 4.38 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, igr1= 106, 111, igr2=1902,1903, &end # # 80 PHE H 93 LEU QD1 5.64 &rst ixpk= 0, nxpk= 0, iat=1197, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27, igr2=1401,1402,1403, &end # # 81 GLN H 95 ILE HG13 5.01 &rst ixpk= 0, nxpk= 0, iat=1217,1433, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end # # 81 GLN HB2 94 SER QB 4.59 &rst ixpk= 0, nxpk= 0, iat=1221, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, igr2=1415,1416, &end # # 81 GLN HG3 94 SER QB 4.79 &rst ixpk= 0, nxpk= 0, iat=1225, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr2=1415,1416, &end # # 82 LEU H 82 LEU QD2 3.77 &rst ixpk= 0, nxpk= 0, iat=1234, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr2=1247,1248,1249, &end # # 82 LEU QD2 93 LEU H 5.17 &rst ixpk= 0, nxpk= 0, iat= -1,1392, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71, igr1=1247,1248,1249, &end # # 83 LEU H 94 SER H 4.65 &rst ixpk= 0, nxpk= 0, iat=1253,1411, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end # # 87 TRP H 87 TRP HB3 4.01 &rst ixpk= 0, nxpk= 0, iat=1310,1315, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end # # 87 TRP H 87 TRP HE3 5.75 &rst ixpk= 0, nxpk= 0, iat=1310,1329, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end # # 89 ASN HA 89 ASN HD22 5.10 &rst ixpk= 0, nxpk= 0, iat=1347,1354, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 93 LEU HA 94 SER QB 4.55 &rst ixpk= 0, nxpk= 0, iat=1394, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, igr2=1415,1416, &end # # 93 LEU QD1 95 ILE QD1 4.16 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=1401,1402,1403, igr2=1435,1436,1437, &end # # 93 LEU QD2 106 TYR QD 5.23 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55, igr1=1405,1406,1407, igr2=1617,1626, &end # # 95 ILE QD1 130 LEU QD2 4.14 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, igr1=1435,1436,1437, igr2=2057,2058,2059, &end # # 96 ARG H 96 ARG QG 4.59 &rst ixpk= 0, nxpk= 0, iat=1441, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, igr2=1448,1449, &end # # 96 ARG QG 98 ALA H 5.37 &rst ixpk= 0, nxpk= 0, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr1=1448,1449, &end # # 97 ASP HB2 98 ALA H 5.00 &rst ixpk= 0, nxpk= 0, iat=1469,1477, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 98 ALA HA 102 ASP H 5.45 &rst ixpk= 0, nxpk= 0, iat=1479,1557, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end # # 98 ALA QB 134 VAL HA 4.88 &rst ixpk= 0, nxpk= 0, iat= -1,2112, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, igr1=1481,1482,1483, &end # # 98 ALA QB 134 VAL QG2 3.18 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, igr1=1481,1482,1483, igr2=2120,2121,2122, &end # # 99 ARG H 99 ARG QD 4.86 &rst ixpk= 0, nxpk= 0, iat=1487, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, igr2=1497,1498, &end # # 100 LYS H 134 VAL QG2 4.82 &rst ixpk= 0, nxpk= 0, iat=1511, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, igr2=2120,2121,2122, &end # # 100 LYS HA 103 LYS H 4.21 &rst ixpk= 0, nxpk= 0, iat=1513,1569, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end # # 100 LYS HA 134 VAL QG2 3.83 &rst ixpk= 0, nxpk= 0, iat=1513, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, igr2=2120,2121,2122, &end # # 101 ARG H 101 ARG QG 3.81 &rst ixpk= 0, nxpk= 0, iat=1533, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, igr2=1540,1541, &end # # 102 ASP HB2 103 LYS H 3.87 &rst ixpk= 0, nxpk= 0, iat=1561,1569, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end # # 102 ASP HB2 134 VAL QG2 3.98 &rst ixpk= 0, nxpk= 0, iat=1561, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, igr2=2120,2121,2122, &end # # 103 LYS H 103 LYS HB3 3.31 &rst ixpk= 0, nxpk= 0, iat=1569,1574, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end # # 103 LYS HA 132 VAL H 5.64 &rst ixpk= 0, nxpk= 0, iat=1571,2074, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end # # 103 LYS HA 134 VAL QG2 3.70 &rst ixpk= 0, nxpk= 0, iat=1571, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, igr2=2120,2121,2122, &end # # 103 LYS HB3 134 VAL H 4.61 &rst ixpk= 0, nxpk= 0, iat=1574,2110, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end # # 103 LYS HB3 134 VAL QG2 4.65 &rst ixpk= 0, nxpk= 0, iat=1574, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr2=2120,2121,2122, &end # # 103 LYS HB2 103 LYS QE 5.30 &rst ixpk= 0, nxpk= 0, iat=1573, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, igr2=1582,1583, &end # # 103 LYS HB2 104 GLY H 4.78 &rst ixpk= 0, nxpk= 0, iat=1573,1591, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end # # 103 LYS HD3 104 GLY H 5.80 &rst ixpk= 0, nxpk= 0, iat=1580,1591, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 103 LYS HG2 104 GLY H 4.48 &rst ixpk= 0, nxpk= 0, iat=1576,1591, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end # # 103 LYS HG3 133 PHE HA 3.96 &rst ixpk= 0, nxpk= 0, iat=1577,2092, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end # # 103 LYS QE 133 PHE HA 4.48 &rst ixpk= 0, nxpk= 0, iat= -1,2092, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr1=1582,1583, &end # # 103 LYS QE 133 PHE HB3 3.66 &rst ixpk= 0, nxpk= 0, iat= -1,2095, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr1=1582,1583, &end # # 104 GLY H 132 VAL HB 3.90 &rst ixpk= 0, nxpk= 0, iat=1591,2078, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end # # 104 GLY H 132 VAL QG2 4.97 &rst ixpk= 0, nxpk= 0, iat=1591, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, igr2=2084,2085,2086, &end # # 104 GLY H 133 PHE HA 4.75 &rst ixpk= 0, nxpk= 0, iat=1591,2092, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end # # 105 SER H 131 SER HA 5.05 &rst ixpk= 0, nxpk= 0, iat=1598,2065, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end # # 105 SER HA 131 SER H 5.04 &rst ixpk= 0, nxpk= 0, iat=1600,2063, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end # # 106 TYR H 107 PHE HA 5.42 &rst ixpk= 0, nxpk= 0, iat=1609,1632, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end # # 106 TYR H 132 VAL H 5.30 &rst ixpk= 0, nxpk= 0, iat=1609,2074, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 106 TYR HB3 107 PHE H 4.15 &rst ixpk= 0, nxpk= 0, iat=1614,1630, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end # # 106 TYR HB3 130 LEU QD2 4.85 &rst ixpk= 0, nxpk= 0, iat=1614, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, igr2=2057,2058,2059, &end # # 107 PHE H 107 PHE QD 3.64 &rst ixpk= 0, nxpk= 0, iat=1630, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, igr2=1638,1646, &end # # 107 PHE H 130 LEU QD2 5.80 &rst ixpk= 0, nxpk= 0, iat=1630, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, igr2=2057,2058,2059, &end # # 107 PHE HB3 108 PHE H 4.64 &rst ixpk= 0, nxpk= 0, iat=1635,1650, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end # # 108 PHE HB2 109 ARG H 4.59 &rst ixpk= 0, nxpk= 0, iat=1654,1670, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end # # 108 PHE HB3 109 ARG H 4.32 &rst ixpk= 0, nxpk= 0, iat=1655,1670, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end # # 109 ARG QB 109 ARG HE 5.01 &rst ixpk= 0, nxpk= 0, iat= -1,1683, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, igr1=1674,1675, &end # # 109 ARG QB 110 LEU H 4.61 &rst ixpk= 0, nxpk= 0, iat= -1,1694, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, igr1=1674,1675, &end # # 109 ARG QB 119 TYR H 4.99 &rst ixpk= 0, nxpk= 0, iat= -1,1844, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, igr1=1674,1675, &end # # 110 LEU HA 119 TYR QE 5.05 &rst ixpk= 0, nxpk= 0, iat=1696, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr2=1854,1859, &end # # 110 LEU QD1 115 MET QE 4.54 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05, igr1=1703,1704,1705, igr2=1781,1782,1783, &end # # 111 GLU H 112 ARG H 4.43 &rst ixpk= 0, nxpk= 0, iat=1713,1728, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end # # 111 GLU HA 111 GLU QG 3.97 &rst ixpk= 0, nxpk= 0, iat=1715, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, igr2=1720,1721, &end # # 111 GLU QG 116 LYS QD 4.46 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, igr1=1720,1721, igr2=1797,1798, &end # # 112 ARG H 115 MET QE 4.89 &rst ixpk= 0, nxpk= 0, iat=1728, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, igr2=1781,1782,1783, &end # # 112 ARG HB3 113 GLY H 4.28 &rst ixpk= 0, nxpk= 0, iat=1733,1752, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end # # 113 GLY HA2 115 MET H 4.86 &rst ixpk= 0, nxpk= 0, iat=1754,1770, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end # # 114 SER H 114 SER HB3 3.94 &rst ixpk= 0, nxpk= 0, iat=1759,1764, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end # # 114 SER H 115 MET HB3 4.68 &rst ixpk= 0, nxpk= 0, iat=1759,1775, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end # # 115 MET H 115 MET HB2 3.54 &rst ixpk= 0, nxpk= 0, iat=1770,1774, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 116 LYS H 116 LYS HG3 4.93 &rst ixpk= 0, nxpk= 0, iat=1787,1795, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end # # 116 LYS HA 116 LYS HG2 4.01 &rst ixpk= 0, nxpk= 0, iat=1789,1794, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end # # 116 LYS HB3 117 TRP H 4.17 &rst ixpk= 0, nxpk= 0, iat=1792,1809, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end # # 117 TRP HE1 125 TYR QD 5.48 &rst ixpk= 0, nxpk= 0, iat=1819, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, igr2=1956,1965, &end # # 119 TYR HA 125 TYR QD 6.00 &rst ixpk= 0, nxpk= 0, iat=1846, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2=1956,1965, &end # # 119 TYR HA 127 THR QG2 3.33 &rst ixpk= 0, nxpk= 0, iat=1846, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr2=1997,1998,1999, &end # # 119 TYR HB2 120 LYS H 4.95 &rst ixpk= 0, nxpk= 0, iat=1848,1865, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end # # 11 TYR HA 117 TRP HE1 5.36 &rst ixpk= 0, nxpk= 0, iat= 145,1819, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end # # 11 TYR QD 117 TRP HZ2 4.62 &rst ixpk= 0, nxpk= 0, iat= -1,1822, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr1= 151, 160, &end # # 11 TYR QD 119 TYR HH 4.47 &rst ixpk= 0, nxpk= 0, iat= -1,1857, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, igr1= 151, 160, &end # # 11 TYR QD 125 TYR QE 4.78 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, igr1= 151, 160, igr2=1958,1963, &end # # 120 LYS HA 129 GLN HE22 4.56 &rst ixpk= 0, nxpk= 0, iat=1867,2039, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end # # 122 GLN H 122 GLN HG3 4.33 &rst ixpk= 0, nxpk= 0, iat=1898,1906, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end # # 122 GLN H 125 TYR HB3 3.97 &rst ixpk= 0, nxpk= 0, iat=1898,1953, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end # # 122 GLN HA 122 GLN HG2 3.73 &rst ixpk= 0, nxpk= 0, iat=1900,1905, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end # # 122 GLN HA 123 LEU QD2 4.83 &rst ixpk= 0, nxpk= 0, iat=1900, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr2=1928,1929,1930, &end # # 124 ASN H 124 ASN HB2 4.06 &rst ixpk= 0, nxpk= 0, iat=1934,1938, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end # # 124 ASN H 124 ASN HB3 4.06 &rst ixpk= 0, nxpk= 0, iat=1934,1939, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end # # 124 ASN H 125 TYR H 3.59 &rst ixpk= 0, nxpk= 0, iat=1934,1948, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end # # 124 ASN HB2 125 TYR H 4.68 &rst ixpk= 0, nxpk= 0, iat=1938,1948, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end # # 124 ASN HB3 125 TYR H 4.68 &rst ixpk= 0, nxpk= 0, iat=1939,1948, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end # # 125 TYR HB2 126 LYS H 4.65 &rst ixpk= 0, nxpk= 0, iat=1952,1969, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end # # 125 TYR QE 126 LYS H 4.57 &rst ixpk= 0, nxpk= 0, iat= -1,1969, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr1=1958,1963, &end # # 125 TYR QE 127 THR QG2 3.37 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, igr1=1958,1963, igr2=1997,1998,1999, &end # # 126 LYS HG2 126 LYS QE 3.52 &rst ixpk= 0, nxpk= 0, iat=1976, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, igr2=1982,1983, &end # # 127 THR H 127 THR QG2 3.34 &rst ixpk= 0, nxpk= 0, iat=1991, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, igr2=1997,1998,1999, &end # # 127 THR H 128 LYS H 4.93 &rst ixpk= 0, nxpk= 0, iat=1991,2005, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end # # 127 THR HA 127 THR QG2 3.54 &rst ixpk= 0, nxpk= 0, iat=1993, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, igr2=1997,1998,1999, &end # # 128 LYS H 128 LYS HB2 4.13 &rst ixpk= 0, nxpk= 0, iat=2005,2009, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end # # 128 LYS H 128 LYS HG3 4.04 &rst ixpk= 0, nxpk= 0, iat=2005,2013, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end # # 128 LYS HG3 128 LYS QE 4.18 &rst ixpk= 0, nxpk= 0, iat=2013, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, igr2=2018,2019, &end # # 128 LYS QE 129 GLN H 5.80 &rst ixpk= 0, nxpk= 0, iat= -1,2027, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, igr1=2018,2019, &end # # 129 GLN HB2 129 GLN HE21 4.73 &rst ixpk= 0, nxpk= 0, iat=2031,2040, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end # # 12 LEU H 119 TYR HH 4.26 &rst ixpk= 0, nxpk= 0, iat= 164,1857, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end # # 130 LEU HB2 131 SER H 4.53 &rst ixpk= 0, nxpk= 0, iat=2048,2063, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end # # 130 LEU QD2 132 VAL QG2 3.33 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1=2057,2058,2059, igr2=2084,2085,2086, &end # # 131 SER HA 132 VAL H 3.30 &rst ixpk= 0, nxpk= 0, iat=2065,2074, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 131 SER HB2 132 VAL H 4.91 &rst ixpk= 0, nxpk= 0, iat=2067,2074, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end # # 132 VAL HA 133 PHE H 3.26 &rst ixpk= 0, nxpk= 0, iat=2076,2090, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end # # 133 PHE HB3 134 VAL HA 5.01 &rst ixpk= 0, nxpk= 0, iat=2095,2112, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end # # 134 VAL H 134 VAL QG1 4.17 &rst ixpk= 0, nxpk= 0, iat=2110, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, igr2=2116,2117,2118, &end # # 134 VAL HA 134 VAL QG2 3.28 &rst ixpk= 0, nxpk= 0, iat=2112, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, igr2=2120,2121,2122, &end # # 135 THR QG2 137 LEU H 4.75 &rst ixpk= 0, nxpk= 0, iat= -1,2150, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr1=2132,2133,2134, &end # # 136 ALA QB 137 LEU HA 4.90 &rst ixpk= 0, nxpk= 0, iat= -1,2152, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1=2144,2145,2146, &end # # 137 LEU H 137 LEU HB3 3.40 &rst ixpk= 0, nxpk= 0, iat=2150,2155, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end # # 137 LEU H 138 THR H 4.88 &rst ixpk= 0, nxpk= 0, iat=2150,2169, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end # # 138 THR HA 138 THR HB 2.87 &rst ixpk= 0, nxpk= 0, iat=2171,2173, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end # # 13 LEU HB3 14 GLN H 4.69 &rst ixpk= 0, nxpk= 0, iat= 188, 202, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end # # 13 LEU QD1 119 TYR HH 5.20 &rst ixpk= 0, nxpk= 0, iat= -1,1857, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74, igr1= 192, 193, 194, &end # # 13 LEU QD1 15 VAL HB 4.57 &rst ixpk= 0, nxpk= 0, iat= -1, 223, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, igr1= 192, 193, 194, &end # # 13 LEU QD1 33 PHE H 5.27 &rst ixpk= 0, nxpk= 0, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83, igr1= 192, 193, 194, &end # # 13 LEU QD1 33 PHE QD 4.27 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, igr1= 192, 193, 194, igr2= 493, 501, &end # # 13 LEU QD2 108 PHE H 4.42 &rst ixpk= 0, nxpk= 0, iat= -1,1650, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, igr1= 196, 197, 198, &end # # 13 LEU QD2 128 LYS QE 4.89 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09, igr1= 196, 197, 198, igr2=2018,2019, &end # # 141 SER QB 142 LEU H 4.34 &rst ixpk= 0, nxpk= 0, iat= -1,2218, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, igr1=2211,2212, &end # # 142 LEU QD2 144 PRO HA 4.06 &rst ixpk= 0, nxpk= 0, iat= -1,2263, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, igr1=2231,2232,2233, &end # # 143 VAL QG1 144 PRO HD3 4.33 &rst ixpk= 0, nxpk= 0, iat= -1,2255, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, igr1=2243,2244,2245, &end # # 144 PRO HB3 145 ARG H 4.60 &rst ixpk= 0, nxpk= 0, iat=2261,2267, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 145 ARG H 145 ARG QD 4.56 &rst ixpk= 0, nxpk= 0, iat=2267, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, igr2=2277,2278, &end # # 14 GLN H 128 LYS QE 5.80 &rst ixpk= 0, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, igr2=2018,2019, &end # # 14 GLN H 14 GLN QB 3.47 &rst ixpk= 0, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, igr2= 206, 207, &end # # 14 GLN H 33 PHE HB2 5.80 &rst ixpk= 0, nxpk= 0, iat= 202, 489, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 15 VAL H 15 VAL HB 3.72 &rst ixpk= 0, nxpk= 0, iat= 219, 223, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end # # 15 VAL HA 16 GLN H 3.38 &rst ixpk= 0, nxpk= 0, iat= 221, 235, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end # # 15 VAL HA 32 SER H 6.00 &rst ixpk= 0, nxpk= 0, iat= 221, 474, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 15 VAL QG1 128 LYS QE 4.68 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81, igr1= 225, 226, 227, igr2=2018,2019, &end # # 15 VAL QG2 130 LEU H 5.14 &rst ixpk= 0, nxpk= 0, iat= -1,2044, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 229, 230, 231, &end # # 15 VAL QG2 130 LEU QD1 3.78 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, igr1= 229, 230, 231, igr2=2053,2054,2055, &end # # 15 VAL QG2 31 CYX HB2 4.12 &rst ixpk= 0, nxpk= 0, iat= -1, 468, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1= 229, 230, 231, &end # # 16 GLN HE22 20 THR H 4.45 &rst ixpk= 0, nxpk= 0, iat= 247, 302, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end # # 16 GLN QG 18 LEU H 3.75 &rst ixpk= 0, nxpk= 0, iat= -1, 267, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, igr1= 242, 243, &end # # 16 GLN QG 29 VAL HA 5.61 &rst ixpk= 0, nxpk= 0, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1= 242, 243, &end # # 17 GLU H 17 GLU HB2 3.42 &rst ixpk= 0, nxpk= 0, iat= 252, 256, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end # # 17 GLU QG 128 LYS HG2 5.05 &rst ixpk= 0, nxpk= 0, iat= -1,2012, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 259, 260, &end # # 18 LEU HA 130 LEU QD1 4.07 &rst ixpk= 0, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, igr2=2053,2054,2055, &end # # 18 LEU HB2 133 PHE QE 4.98 &rst ixpk= 0, nxpk= 0, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, igr2=2100,2104, &end # # 18 LEU HB2 18 LEU QD1 3.17 &rst ixpk= 0, nxpk= 0, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, igr2= 276, 277, 278, &end # # 18 LEU QD1 103 LYS QE 5.80 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32, igr1= 276, 277, 278, igr2=1582,1583, &end # # 18 LEU QD1 133 PHE HZ 4.40 &rst ixpk= 0, nxpk= 0, iat= -1,2102, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr1= 276, 277, 278, &end # # 19 VAL H 130 LEU HA 5.41 &rst ixpk= 0, nxpk= 0, iat= 286,2046, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end # # 19 VAL HA 19 VAL QG2 2.94 &rst ixpk= 0, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2= 296, 297, 298, &end # # 19 VAL HA 20 THR H 2.92 &rst ixpk= 0, nxpk= 0, iat= 288, 302, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end # # 19 VAL QG1 133 PHE H 3.90 &rst ixpk= 0, nxpk= 0, iat= -1,2090, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, igr1= 292, 293, 294, &end # # 19 VAL QG1 20 THR HB 5.08 &rst ixpk= 0, nxpk= 0, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, igr1= 292, 293, 294, &end # # 20 THR HA 133 PHE HA 4.81 &rst ixpk= 0, nxpk= 0, iat= 304,2092, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end # # 20 THR HA 133 PHE HB3 3.72 &rst ixpk= 0, nxpk= 0, iat= 304,2095, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end # # 20 THR HA 133 PHE HB2 3.80 &rst ixpk= 0, nxpk= 0, iat= 304,2094, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end # # 20 THR HA 21 VAL QG1 4.45 &rst ixpk= 0, nxpk= 0, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr2= 322, 323, 324, &end # # 20 THR HB 133 PHE HB2 4.55 &rst ixpk= 0, nxpk= 0, iat= 306,2094, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end # # 20 THR QG2 133 PHE HB3 3.57 &rst ixpk= 0, nxpk= 0, iat= -1,2095, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, igr1= 308, 309, 310, &end # # 20 THR QG2 21 VAL HA 4.58 &rst ixpk= 0, nxpk= 0, iat= -1, 318, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr1= 308, 309, 310, &end # # 21 VAL H 133 PHE QD 5.80 &rst ixpk= 0, nxpk= 0, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, igr2=2098,2106, &end # # 21 VAL HB 22 GLN H 4.57 &rst ixpk= 0, nxpk= 0, iat= 320, 332, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end # # 21 VAL QG2 22 GLN QB 4.29 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, igr1= 326, 327, 328, igr2= 336, 337, &end # # 21 VAL QG2 27 VAL H 4.46 &rst ixpk= 0, nxpk= 0, iat= -1, 401, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, igr1= 326, 327, 328, &end # # 21 VAL QG2 27 VAL HB 3.58 &rst ixpk= 0, nxpk= 0, iat= -1, 405, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, igr1= 326, 327, 328, &end # # 22 GLN H 22 GLN QB 3.10 &rst ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, igr2= 336, 337, &end # # 22 GLN HA 135 THR H 3.57 &rst ixpk= 0, nxpk= 0, iat= 334,2126, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end # # 22 GLN HA 135 THR HB 4.56 &rst ixpk= 0, nxpk= 0, iat= 334,2130, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end # # 22 GLN HA 135 THR QG2 4.37 &rst ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, igr2=2132,2133,2134, &end # # 22 GLN HE21 135 THR QG2 4.38 &rst ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, igr2=2132,2133,2134, &end # # 22 GLN HE22 137 LEU HG 6.00 &rst ixpk= 0, nxpk= 0, iat= 344,2157, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 22 GLN HE22 138 THR H 4.65 &rst ixpk= 0, nxpk= 0, iat= 344,2169, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end # # 22 GLN HE22 138 THR HA 5.80 &rst ixpk= 0, nxpk= 0, iat= 344,2171, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 22 GLN HG2 137 LEU QD2 4.18 &rst ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, igr2=2163,2164,2165, &end # # 22 GLN HG3 135 THR H 5.78 &rst ixpk= 0, nxpk= 0, iat= 340,2126, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end # # 22 GLN QB 25 LEU QD1 2.96 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, igr1= 336, 337, igr2= 380, 381, 382, &end # # 22 GLN QB 25 LEU QD2 3.52 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, igr1= 336, 337, igr2= 384, 385, 386, &end # # 23 GLU H 135 THR H 3.91 &rst ixpk= 0, nxpk= 0, iat= 349,2126, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end # # 23 GLU H 135 THR QG2 4.12 &rst ixpk= 0, nxpk= 0, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr2=2132,2133,2134, &end # # 23 GLU HA 24 GLY HA2 4.93 &rst ixpk= 0, nxpk= 0, iat= 351, 366, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end # # 23 GLU HB2 134 VAL HA 5.24 &rst ixpk= 0, nxpk= 0, iat= 353,2112, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end # # 23 GLU HB2 137 LEU H 3.89 &rst ixpk= 0, nxpk= 0, iat= 353,2150, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end # # 23 GLU HB3 134 VAL QG1 4.05 &rst ixpk= 0, nxpk= 0, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, igr2=2116,2117,2118, &end # # 25 LEU H 26 SER HA 5.37 &rst ixpk= 0, nxpk= 0, iat= 371, 392, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end # # 25 LEU HB2 25 LEU QD1 3.48 &rst ixpk= 0, nxpk= 0, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, igr2= 380, 381, 382, &end # # 26 SER HA 27 VAL H 3.06 &rst ixpk= 0, nxpk= 0, iat= 392, 401, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end # # 26 SER HA 95 ILE HA 5.80 &rst ixpk= 0, nxpk= 0, iat= 392,1424, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 26 SER HB2 143 VAL QG1 4.69 &rst ixpk= 0, nxpk= 0, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, igr2=2243,2244,2245, &end # # 27 VAL H 28 HIS H 4.52 &rst ixpk= 0, nxpk= 0, iat= 401, 417, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end # # 27 VAL H 95 ILE HA 5.28 &rst ixpk= 0, nxpk= 0, iat= 401,1424, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end # # 27 VAL HA 95 ILE H 5.43 &rst ixpk= 0, nxpk= 0, iat= 403,1422, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end # # 27 VAL HB 28 HIS H 4.53 &rst ixpk= 0, nxpk= 0, iat= 405, 417, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end # # 27 VAL QG1 94 SER HA 4.68 &rst ixpk= 0, nxpk= 0, iat= -1,1413, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, igr1= 407, 408, 409, &end # # 27 VAL QG1 95 ILE HA 4.86 &rst ixpk= 0, nxpk= 0, iat= -1,1424, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr1= 407, 408, 409, &end # # 27 VAL QG1 95 ILE HB 3.51 &rst ixpk= 0, nxpk= 0, iat= -1,1426, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, igr1= 407, 408, 409, &end # # 27 VAL QG1 95 ILE QD1 3.23 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr1= 407, 408, 409, igr2=1435,1436,1437, &end # # 27 VAL QG2 29 VAL H 4.52 &rst ixpk= 0, nxpk= 0, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr1= 411, 412, 413, &end # # 28 HIS HD2 29 VAL QG2 4.70 &rst ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, igr2= 444, 445, 446, &end # # 28 HIS HD2 30 PRO HA 4.37 &rst ixpk= 0, nxpk= 0, iat= 430, 460, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end # # 28 HIS HE1 83 LEU HB2 4.83 &rst ixpk= 0, nxpk= 0, iat= 426,1257, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end # # 28 HIS HE1 83 LEU QD1 3.68 &rst ixpk= 0, nxpk= 0, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, igr2=1262,1263,1264, &end # # 28 HIS QB 29 VAL QG2 5.21 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52, igr1= 421, 422, igr2= 444, 445, 446, &end # # 28 HIS QB 94 SER HA 4.54 &rst ixpk= 0, nxpk= 0, iat= -1,1413, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, igr1= 421, 422, &end # # 29 VAL H 93 LEU HA 5.14 &rst ixpk= 0, nxpk= 0, iat= 434,1394, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end # # 29 VAL HB 93 LEU QD1 5.47 &rst ixpk= 0, nxpk= 0, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07, igr2=1401,1402,1403, &end # # 29 VAL QG1 30 PRO HG2 5.15 &rst ixpk= 0, nxpk= 0, iat= -1, 454, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68, igr1= 440, 441, 442, &end # # 29 VAL QG2 95 ILE H 3.88 &rst ixpk= 0, nxpk= 0, iat= -1,1422, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr1= 444, 445, 446, &end # # 32 SER HA 33 PHE QD 4.47 &rst ixpk= 0, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, igr2= 493, 501, &end # # 32 SER HB2 91 CYX H 5.11 &rst ixpk= 0, nxpk= 0, iat= 478,1371, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end # # 33 PHE H 90 ASP HA 4.19 &rst ixpk= 0, nxpk= 0, iat= 485,1361, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end # # 33 PHE HZ 90 ASP H 5.12 &rst ixpk= 0, nxpk= 0, iat= 497,1359, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end # # 33 PHE QE 110 LEU QD1 3.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr1= 495, 499, igr2=1703,1704,1705, &end # # 35 TYR QD 110 LEU QD1 4.09 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, igr1= 524, 533, igr2=1703,1704,1705, &end # # 35 TYR QD 40 TRP HE1 3.27 &rst ixpk= 0, nxpk= 0, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, igr1= 524, 533, &end # # 35 TYR QE 37 GLN HA 5.19 &rst ixpk= 0, nxpk= 0, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, igr1= 526, 531, &end # # 36 PRO HA 40 TRP HE1 5.46 &rst ixpk= 0, nxpk= 0, iat= 547, 597, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end # # 36 PRO HB2 37 GLN H 3.64 &rst ixpk= 0, nxpk= 0, iat= 544, 551, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end # # 37 GLN H 37 GLN HB3 3.46 &rst ixpk= 0, nxpk= 0, iat= 551, 556, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end # # 37 GLN HA 37 GLN HG2 4.03 &rst ixpk= 0, nxpk= 0, iat= 553, 558, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end # # 37 GLN HA 40 TRP HH2 4.52 &rst ixpk= 0, nxpk= 0, iat= 553, 602, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end # # 37 GLN HB2 40 TRP HZ2 4.09 &rst ixpk= 0, nxpk= 0, iat= 555, 600, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end # # 37 GLN HB3 37 GLN HE21 5.02 &rst ixpk= 0, nxpk= 0, iat= 556, 564, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end # # 37 GLN HB3 40 TRP HH2 5.80 &rst ixpk= 0, nxpk= 0, iat= 556, 602, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 37 GLN HB3 40 TRP HZ2 5.42 &rst ixpk= 0, nxpk= 0, iat= 556, 600, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end # # 37 GLN HE21 41 THR QG2 5.06 &rst ixpk= 0, nxpk= 0, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, igr2= 617, 618, 619, &end # # 38 ASP H 38 ASP HB3 3.52 &rst ixpk= 0, nxpk= 0, iat= 568, 573, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end # # 38 ASP H 40 TRP HE1 3.84 &rst ixpk= 0, nxpk= 0, iat= 568, 597, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end # # 38 ASP HA 39 GLY HA2 4.97 &rst ixpk= 0, nxpk= 0, iat= 570, 582, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end # # 40 TRP QB 113 GLY H 4.83 &rst ixpk= 0, nxpk= 0, iat= -1,1752, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, igr1= 591, 592, &end # # 41 THR QG2 44 ASP H 5.02 &rst ixpk= 0, nxpk= 0, iat= -1, 648, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr1= 617, 618, 619, &end # # 43 SER H 44 ASP HA 5.27 &rst ixpk= 0, nxpk= 0, iat= 637, 650, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end # # 43 SER H 44 ASP HB2 4.94 &rst ixpk= 0, nxpk= 0, iat= 637, 652, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end # # 44 ASP HB3 114 SER H 5.26 &rst ixpk= 0, nxpk= 0, iat= 653,1759, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end # # 48 GLY H 49 TYR H 4.87 &rst ixpk= 0, nxpk= 0, iat= 707, 714, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end # # 49 TYR H 50 TRP H 4.94 &rst ixpk= 0, nxpk= 0, iat= 714, 735, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end # # 49 TYR HA 49 TYR QE 5.55 &rst ixpk= 0, nxpk= 0, iat= 716, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73, igr2= 724, 729, &end # # 4 ASP H 5 ARG H 3.77 &rst ixpk= 0, nxpk= 0, iat= 43, 55, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end # # 50 TRP HA 63 VAL QG2 4.69 &rst ixpk= 0, nxpk= 0, iat= 737, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, igr2= 954, 955, 956, &end # # 50 TRP HA 82 LEU QD1 5.80 &rst ixpk= 0, nxpk= 0, iat= 737, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, igr2=1243,1244,1245, &end # # 50 TRP HA 82 LEU QD2 5.80 &rst ixpk= 0, nxpk= 0, iat= 737, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, igr2=1247,1248,1249, &end # # 50 TRP HB3 51 PHE H 4.13 &rst ixpk= 0, nxpk= 0, iat= 740, 759, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end # # 50 TRP HE1 93 LEU HB2 4.91 &rst ixpk= 0, nxpk= 0, iat= 745,1396, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end # # 50 TRP HE3 51 PHE H 4.06 &rst ixpk= 0, nxpk= 0, iat= 754, 759, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end # # 50 TRP HH2 130 LEU H 4.70 &rst ixpk= 0, nxpk= 0, iat= 750,2044, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 50 TRP HH2 130 LEU HB3 4.60 &rst ixpk= 0, nxpk= 0, iat= 750,2049, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 50 TRP HH2 130 LEU QD2 3.79 &rst ixpk= 0, nxpk= 0, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, igr2=2057,2058,2059, &end # # 50 TRP HZ3 129 GLN HA 5.80 &rst ixpk= 0, nxpk= 0, iat= 752,2029, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 50 TRP HZ3 130 LEU HA 5.80 &rst ixpk= 0, nxpk= 0, iat= 752,2046, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 51 PHE H 107 PHE QD 5.42 &rst ixpk= 0, nxpk= 0, iat= 759, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, igr2=1638,1646, &end # # 52 ARG HA 107 PHE QD 5.01 &rst ixpk= 0, nxpk= 0, iat= 781, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, igr2=1638,1646, &end # # 52 ARG HB3 52 ARG HE 4.71 &rst ixpk= 0, nxpk= 0, iat= 784, 792, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end # # 52 ARG HB2 106 TYR QD 4.42 &rst ixpk= 0, nxpk= 0, iat= 783, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, igr2=1617,1626, &end # # 52 ARG HE 63 VAL QG1 5.44 &rst ixpk= 0, nxpk= 0, iat= 792, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr2= 950, 951, 952, &end # # 53 ALA QB 105 SER HB3 3.33 &rst ixpk= 0, nxpk= 0, iat= -1,1603, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr1= 807, 808, 809, &end # # 56 ARG HA 57 PRO HD2 3.97 &rst ixpk= 0, nxpk= 0, iat= 834, 857, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end # # 56 ARG HA 57 PRO HD3 3.94 &rst ixpk= 0, nxpk= 0, iat= 834, 858, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end # # 56 ARG QG 59 GLN HE21 4.95 &rst ixpk= 0, nxpk= 0, iat= -1, 904, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1= 839, 840, &end # # 57 PRO HD2 107 PHE HZ 4.87 &rst ixpk= 0, nxpk= 0, iat= 857,1642, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end # # 5 ARG HA 6 GLN H 3.12 &rst ixpk= 0, nxpk= 0, iat= 57, 79, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end # # 5 ARG HB2 5 ARG QD 3.30 &rst ixpk= 0, nxpk= 0, iat= 59, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, igr2= 65, 66, &end # # 5 ARG HG2 6 GLN HA 5.44 &rst ixpk= 0, nxpk= 0, iat= 62, 81, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end # # 60 ASP H 60 ASP HB3 3.93 &rst ixpk= 0, nxpk= 0, iat= 908, 913, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end # # 61 ALA HA 73 GLN H 5.63 &rst ixpk= 0, nxpk= 0, iat= 922,1093, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end # # 62 PRO HA 64 ALA H 3.96 &rst ixpk= 0, nxpk= 0, iat= 940, 960, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end # # 63 VAL H 63 VAL QG1 3.66 &rst ixpk= 0, nxpk= 0, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr2= 950, 951, 952, &end # # 63 VAL HA 63 VAL QG2 3.75 &rst ixpk= 0, nxpk= 0, iat= 946, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr2= 954, 955, 956, &end # # 63 VAL HA 73 GLN H 3.99 &rst ixpk= 0, nxpk= 0, iat= 946,1093, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end # # 63 VAL HB 93 LEU QD2 5.71 &rst ixpk= 0, nxpk= 0, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36, igr2=1405,1406,1407, &end # # 63 VAL QG1 106 TYR HH 5.80 &rst ixpk= 0, nxpk= 0, iat= -1,1622, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, igr1= 950, 951, 952, &end # # 63 VAL QG1 107 PHE H 5.80 &rst ixpk= 0, nxpk= 0, iat= -1,1630, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, igr1= 950, 951, 952, &end # # 63 VAL QG1 80 PHE QE 4.75 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, igr1= 950, 951, 952, igr2=1207,1211, &end # # 64 ALA H 65 THR QG2 5.19 &rst ixpk= 0, nxpk= 0, iat= 960, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73, igr2= 976, 977, 978, &end # # 64 ALA H 82 LEU QD2 5.66 &rst ixpk= 0, nxpk= 0, iat= 960, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30, igr2=1247,1248,1249, &end # # 65 THR H 67 ASN H 5.80 &rst ixpk= 0, nxpk= 0, iat= 970, 998, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 65 THR HB 66 ASN H 5.09 &rst ixpk= 0, nxpk= 0, iat= 974, 984, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end # # 67 ASN HA 68 PRO HG2 4.98 &rst ixpk= 0, nxpk= 0, iat=1000,1016, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end # # 67 ASN HA 69 ASP H 4.07 &rst ixpk= 0, nxpk= 0, iat=1000,1026, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end # # 67 ASN HD21 70 ARG H 4.87 &rst ixpk= 0, nxpk= 0, iat=1008,1038, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end # # 69 ASP HB3 70 ARG H 4.00 &rst ixpk= 0, nxpk= 0, iat=1031,1038, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 6 GLN H 6 GLN HE21 4.67 &rst ixpk= 0, nxpk= 0, iat= 79, 92, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end # # 6 GLN HB2 6 GLN HE21 4.48 &rst ixpk= 0, nxpk= 0, iat= 83, 92, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end # # 70 ARG HA 71 GLU HA 4.82 &rst ixpk= 0, nxpk= 0, iat=1040,1064, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end # # 71 GLU H 71 GLU HG2 3.86 &rst ixpk= 0, nxpk= 0, iat=1062,1069, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end # # 71 GLU HA 72 VAL H 3.03 &rst ixpk= 0, nxpk= 0, iat=1064,1077, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end # # 71 GLU QB 72 VAL QG2 4.41 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr1=1066,1067, igr2=1087,1088,1089, &end # # 72 VAL HB 73 GLN H 3.55 &rst ixpk= 0, nxpk= 0, iat=1081,1093, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end # # 72 VAL QG2 73 GLN H 3.66 &rst ixpk= 0, nxpk= 0, iat= -1,1093, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr1=1087,1088,1089, &end # # 72 VAL QG2 75 GLU H 5.80 &rst ixpk= 0, nxpk= 0, iat= -1,1120, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, igr1=1087,1088,1089, &end # # 72 VAL QG2 77 GLN HA 3.01 &rst ixpk= 0, nxpk= 0, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, igr1=1087,1088,1089, &end # # 72 VAL QG2 77 GLN QB 3.64 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, igr1=1087,1088,1089, igr2=1153,1154, &end # # 73 GLN HA 73 GLN HG3 4.06 &rst ixpk= 0, nxpk= 0, iat=1095,1101, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end # # 74 ALA H 75 GLU HA 5.51 &rst ixpk= 0, nxpk= 0, iat=1110,1122, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end # # 74 ALA QB 77 GLN QB 4.16 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1114,1115,1116, igr2=1153,1154, &end # # 75 GLU H 75 GLU QG 3.34 &rst ixpk= 0, nxpk= 0, iat=1120, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, igr2=1127,1128, &end # # 76 THR H 77 GLN QB 4.14 &rst ixpk= 0, nxpk= 0, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr2=1153,1154, &end # # 76 THR HA 76 THR QG2 3.06 &rst ixpk= 0, nxpk= 0, iat=1137, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, igr2=1141,1142,1143, &end # # 76 THR HB 80 PHE QD 3.80 &rst ixpk= 0, nxpk= 0, iat=1139, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, igr2=1205,1213, &end # # 77 GLN HA 77 GLN QB 3.00 &rst ixpk= 0, nxpk= 0, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, igr2=1153,1154, &end # # 77 GLN QB 79 ARG H 5.13 &rst ixpk= 0, nxpk= 0, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, igr1=1153,1154, &end # # 79 ARG HB2 96 ARG H 5.13 &rst ixpk= 0, nxpk= 0, iat=1177,1441, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end # # 79 ARG HB3 80 PHE H 6.00 &rst ixpk= 0, nxpk= 0, iat=1178,1197, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 7 TYR QE 123 LEU QD2 3.95 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, igr1= 106, 111, igr2=1928,1929,1930, &end # # 80 PHE HA 81 GLN H 3.14 &rst ixpk= 0, nxpk= 0, iat=1199,1217, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end # # 80 PHE HA 94 SER H 5.02 &rst ixpk= 0, nxpk= 0, iat=1199,1411, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end # # 80 PHE HA 95 ILE HG13 4.88 &rst ixpk= 0, nxpk= 0, iat=1199,1433, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end # # 80 PHE HZ 102 ASP HA 4.32 &rst ixpk= 0, nxpk= 0, iat=1209,1559, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end # # 80 PHE QD 96 ARG H 4.58 &rst ixpk= 0, nxpk= 0, iat= -1,1441, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr1=1205,1213, &end # # 81 GLN H 95 ILE HA 4.35 &rst ixpk= 0, nxpk= 0, iat=1217,1424, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end # # 81 GLN H 96 ARG H 5.06 &rst ixpk= 0, nxpk= 0, iat=1217,1441, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end # # 81 GLN HB3 81 GLN HE22 5.27 &rst ixpk= 0, nxpk= 0, iat=1222,1229, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end # # 81 GLN HE21 83 LEU QD2 3.95 &rst ixpk= 0, nxpk= 0, iat=1230, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, igr2=1266,1267,1268, &end # # 83 LEU HB2 83 LEU QD1 3.21 &rst ixpk= 0, nxpk= 0, iat=1257, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, igr2=1262,1263,1264, &end # # 83 LEU HB2 83 LEU QD2 3.58 &rst ixpk= 0, nxpk= 0, iat=1257, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, igr2=1266,1267,1268, &end # # 83 LEU QD1 92 SER HB3 4.01 &rst ixpk= 0, nxpk= 0, iat= -1,1386, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, igr1=1262,1263,1264, &end # # 85 ASP H 90 ASP H 4.84 &rst ixpk= 0, nxpk= 0, iat=1279,1359, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end # # 86 ILE HA 86 ILE QG2 3.43 &rst ixpk= 0, nxpk= 0, iat=1293, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, igr2=1297,1298,1299, &end # # 87 TRP H 88 SER H 3.38 &rst ixpk= 0, nxpk= 0, iat=1310,1334, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end # # 87 TRP H 88 SER HB3 5.68 &rst ixpk= 0, nxpk= 0, iat=1310,1339, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end # # 87 TRP HB3 88 SER H 4.87 &rst ixpk= 0, nxpk= 0, iat=1315,1334, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end # # 87 TRP HD1 88 SER H 5.19 &rst ixpk= 0, nxpk= 0, iat=1318,1334, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end # # 88 SER H 88 SER HB2 3.90 &rst ixpk= 0, nxpk= 0, iat=1334,1338, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end # # 88 SER HB3 90 ASP H 4.36 &rst ixpk= 0, nxpk= 0, iat=1339,1359, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end # # 89 ASN HA 89 ASN HD21 5.10 &rst ixpk= 0, nxpk= 0, iat=1347,1355, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 8 GLY HA2 125 TYR QD 4.39 &rst ixpk= 0, nxpk= 0, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, igr2=1956,1965, &end # # 90 ASP H 90 ASP HB3 4.12 &rst ixpk= 0, nxpk= 0, iat=1359,1364, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end # # 90 ASP HA 91 CYX H 3.33 &rst ixpk= 0, nxpk= 0, iat=1361,1371, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end # # 92 SER HB2 93 LEU H 4.57 &rst ixpk= 0, nxpk= 0, iat=1385,1392, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end # # 93 LEU QD1 94 SER QB 4.54 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62, igr1=1401,1402,1403, igr2=1415,1416, &end # # 93 LEU QD1 95 ILE H 5.25 &rst ixpk= 0, nxpk= 0, iat= -1,1422, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1=1401,1402,1403, &end # # 93 LEU QD1 95 ILE HA 4.61 &rst ixpk= 0, nxpk= 0, iat= -1,1424, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr1=1401,1402,1403, &end # # 93 LEU QD2 132 VAL QG2 4.78 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39, igr1=1405,1406,1407, igr2=2084,2085,2086, &end # # 93 LEU QD2 95 ILE HG12 4.28 &rst ixpk= 0, nxpk= 0, iat= -1,1432, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr1=1405,1406,1407, &end # # 94 SER H 95 ILE H 4.74 &rst ixpk= 0, nxpk= 0, iat=1411,1422, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end # # 94 SER HA 95 ILE QG2 5.80 &rst ixpk= 0, nxpk= 0, iat=1413, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, igr2=1428,1429,1430, &end # # 95 ILE H 95 ILE HG12 4.76 &rst ixpk= 0, nxpk= 0, iat=1422,1432, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end # # 95 ILE HA 96 ARG H 3.26 &rst ixpk= 0, nxpk= 0, iat=1424,1441, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end # # 95 ILE HA 96 ARG QB 4.89 &rst ixpk= 0, nxpk= 0, iat=1424, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, igr2=1445,1446, &end # # 95 ILE HB 95 ILE QD1 3.54 &rst ixpk= 0, nxpk= 0, iat=1426, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, igr2=1435,1436,1437, &end # # 95 ILE QD1 132 VAL HB 4.57 &rst ixpk= 0, nxpk= 0, iat= -1,2078, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, igr1=1435,1436,1437, &end # # 95 ILE QD1 132 VAL QG2 3.55 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, igr1=1435,1436,1437, igr2=2084,2085,2086, &end # # 96 ARG HA 98 ALA H 4.31 &rst ixpk= 0, nxpk= 0, iat=1443,1477, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end # # 96 ARG QD 97 ASP H 4.92 &rst ixpk= 0, nxpk= 0, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, igr1=1451,1452, &end # # 98 ALA H 98 ALA QB 2.93 &rst ixpk= 0, nxpk= 0, iat=1477, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, igr2=1481,1482,1483, &end # # 98 ALA HA 134 VAL QG1 5.48 &rst ixpk= 0, nxpk= 0, iat=1479, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08, igr2=2116,2117,2118, &end # # 99 ARG H 102 ASP HB3 4.77 &rst ixpk= 0, nxpk= 0, iat=1487,1562, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end # # 99 ARG HB2 100 LYS H 4.00 &rst ixpk= 0, nxpk= 0, iat=1491,1511, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 99 ARG HG2 100 LYS H 4.79 &rst ixpk= 0, nxpk= 0, iat=1494,1511, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end # # 9 ASP H 11 TYR H 4.79 &rst ixpk= 0, nxpk= 0, iat= 124, 143, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end # # 9 ASP HA 10 GLY HA2 4.79 &rst ixpk= 0, nxpk= 0, iat= 126, 138, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end # # 100 LYS H 100 LYS HG3 4.14 &rst ixpk= 0, nxpk= 0, iat=1511,1519, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end # # 100 LYS H 100 LYS QE 4.83 &rst ixpk= 0, nxpk= 0, iat=1511, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, igr2=1524,1525, &end # # 100 LYS H 101 ARG H 4.23 &rst ixpk= 0, nxpk= 0, iat=1511,1533, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end # # 100 LYS H 134 VAL QG1 4.28 &rst ixpk= 0, nxpk= 0, iat=1511, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr2=2116,2117,2118, &end # # 100 LYS HA 100 LYS HG3 4.11 &rst ixpk= 0, nxpk= 0, iat=1513,1519, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end # # 100 LYS QE 136 ALA QB 3.72 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, igr1=1524,1525, igr2=2144,2145,2146, &end # # 102 ASP H 103 LYS H 3.29 &rst ixpk= 0, nxpk= 0, iat=1557,1569, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end # # 102 ASP H 134 VAL QG2 3.94 &rst ixpk= 0, nxpk= 0, iat=1557, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr2=2120,2121,2122, &end # # 102 ASP HB3 134 VAL QG2 4.18 &rst ixpk= 0, nxpk= 0, iat=1562, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, igr2=2120,2121,2122, &end # # 103 LYS H 103 LYS HB2 3.17 &rst ixpk= 0, nxpk= 0, iat=1569,1573, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end # # 103 LYS H 103 LYS HG2 5.28 &rst ixpk= 0, nxpk= 0, iat=1569,1576, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end # # 103 LYS HA 103 LYS HD3 5.10 &rst ixpk= 0, nxpk= 0, iat=1571,1580, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 103 LYS HA 103 LYS HG2 3.67 &rst ixpk= 0, nxpk= 0, iat=1571,1576, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end # # 103 LYS HB3 104 GLY H 4.62 &rst ixpk= 0, nxpk= 0, iat=1574,1591, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end # # 103 LYS HD3 133 PHE HA 5.34 &rst ixpk= 0, nxpk= 0, iat=1580,2092, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end # # 103 LYS HD3 133 PHE QE 5.00 &rst ixpk= 0, nxpk= 0, iat=1580, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2=2100,2104, &end # # 103 LYS HD2 134 VAL H 4.90 &rst ixpk= 0, nxpk= 0, iat=1579,2110, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 103 LYS HG2 133 PHE QE 4.67 &rst ixpk= 0, nxpk= 0, iat=1576, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, igr2=2100,2104, &end # # 103 LYS HG2 134 VAL QG2 5.50 &rst ixpk= 0, nxpk= 0, iat=1576, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=2120,2121,2122, &end # # 103 LYS QE 134 VAL QG2 5.65 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.62, r4= 8.12, igr1=1582,1583, igr2=2120,2121,2122, &end # # 104 GLY H 105 SER H 4.59 &rst ixpk= 0, nxpk= 0, iat=1591,1598, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end # # 104 GLY H 134 VAL H 5.50 &rst ixpk= 0, nxpk= 0, iat=1591,2110, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 105 SER H 106 TYR QE 4.78 &rst ixpk= 0, nxpk= 0, iat=1598, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr2=1619,1624, &end # # 105 SER H 132 VAL H 5.12 &rst ixpk= 0, nxpk= 0, iat=1598,2074, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end # # 105 SER HA 106 TYR H 3.33 &rst ixpk= 0, nxpk= 0, iat=1600,1609, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end # # 105 SER HA 106 TYR HA 4.85 &rst ixpk= 0, nxpk= 0, iat=1600,1611, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end # # 105 SER HA 106 TYR QD 4.01 &rst ixpk= 0, nxpk= 0, iat=1600, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr2=1617,1626, &end # # 105 SER HA 130 LEU H 5.59 &rst ixpk= 0, nxpk= 0, iat=1600,2044, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end # # 105 SER HA 131 SER HA 3.62 &rst ixpk= 0, nxpk= 0, iat=1600,2065, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end # # 105 SER HA 132 VAL H 3.76 &rst ixpk= 0, nxpk= 0, iat=1600,2074, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end # # 105 SER HA 132 VAL QG2 5.04 &rst ixpk= 0, nxpk= 0, iat=1600, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, igr2=2084,2085,2086, &end # # 105 SER HB3 106 TYR QD 5.42 &rst ixpk= 0, nxpk= 0, iat=1603, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, igr2=1617,1626, &end # # 105 SER HB3 131 SER HA 4.27 &rst ixpk= 0, nxpk= 0, iat=1603,2065, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end # # 105 SER HB2 106 TYR H 4.19 &rst ixpk= 0, nxpk= 0, iat=1602,1609, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end # # 105 SER HB2 106 TYR QD 5.80 &rst ixpk= 0, nxpk= 0, iat=1602, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, igr2=1617,1626, &end # # 105 SER HB2 131 SER HA 4.88 &rst ixpk= 0, nxpk= 0, iat=1602,2065, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end # # 106 TYR H 130 LEU QD2 4.76 &rst ixpk= 0, nxpk= 0, iat=1609, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, igr2=2057,2058,2059, &end # # 106 TYR HA 107 PHE H 3.29 &rst ixpk= 0, nxpk= 0, iat=1611,1630, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end # # 106 TYR HB2 107 PHE H 4.00 &rst ixpk= 0, nxpk= 0, iat=1613,1630, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 106 TYR HB2 130 LEU QD2 4.48 &rst ixpk= 0, nxpk= 0, iat=1613, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr2=2057,2058,2059, &end # # 106 TYR HH 132 VAL QG1 4.49 &rst ixpk= 0, nxpk= 0, iat=1622, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr2=2080,2081,2082, &end # # 106 TYR QD 131 SER HA 4.29 &rst ixpk= 0, nxpk= 0, iat= -1,2065, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, igr1=1617,1626, &end # # 106 TYR QE 131 SER HA 5.30 &rst ixpk= 0, nxpk= 0, iat= -1,2065, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, igr1=1619,1624, &end # # 107 PHE QD 108 PHE HA 4.98 &rst ixpk= 0, nxpk= 0, iat= -1,1652, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, igr1=1638,1646, &end # # 107 PHE QD 118 SER HA 5.34 &rst ixpk= 0, nxpk= 0, iat= -1,1835, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1=1638,1646, &end # # 107 PHE QE 119 TYR H 5.71 &rst ixpk= 0, nxpk= 0, iat= -1,1844, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91, igr1=1640,1644, &end # # 108 PHE H 119 TYR H 5.80 &rst ixpk= 0, nxpk= 0, iat=1650,1844, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 109 ARG H 109 ARG HG2 4.85 &rst ixpk= 0, nxpk= 0, iat=1670,1677, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end # # 109 ARG H 110 LEU H 4.86 &rst ixpk= 0, nxpk= 0, iat=1670,1694, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end # # 109 ARG HA 118 SER HA 4.08 &rst ixpk= 0, nxpk= 0, iat=1672,1835, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end # # 109 ARG HG3 110 LEU H 4.50 &rst ixpk= 0, nxpk= 0, iat=1678,1694, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 109 ARG HG2 110 LEU H 4.47 &rst ixpk= 0, nxpk= 0, iat=1677,1694, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end # # 10 GLY H 11 TYR H 3.53 &rst ixpk= 0, nxpk= 0, iat= 136, 143, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end # # 10 GLY H 11 TYR QD 5.80 &rst ixpk= 0, nxpk= 0, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, igr2= 151, 160, &end # # 110 LEU H 117 TRP HD1 4.92 &rst ixpk= 0, nxpk= 0, iat=1694,1817, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end # # 110 LEU HB2 111 GLU H 4.50 &rst ixpk= 0, nxpk= 0, iat=1698,1713, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 110 LEU QD1 111 GLU H 3.48 &rst ixpk= 0, nxpk= 0, iat= -1,1713, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, igr1=1703,1704,1705, &end # # 111 GLU H 111 GLU QG 4.77 &rst ixpk= 0, nxpk= 0, iat=1713, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, igr2=1720,1721, &end # # 112 ARG H 113 GLY H 4.79 &rst ixpk= 0, nxpk= 0, iat=1728,1752, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end # # 113 GLY H 114 SER H 4.99 &rst ixpk= 0, nxpk= 0, iat=1752,1759, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end # # 114 SER H 115 MET H 3.40 &rst ixpk= 0, nxpk= 0, iat=1759,1770, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end # # 115 MET H 115 MET HB3 3.58 &rst ixpk= 0, nxpk= 0, iat=1770,1775, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end # # 116 LYS H 116 LYS HB2 3.90 &rst ixpk= 0, nxpk= 0, iat=1787,1791, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end # # 116 LYS H 117 TRP H 4.58 &rst ixpk= 0, nxpk= 0, iat=1787,1809, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end # # 117 TRP HA 117 TRP HE3 3.48 &rst ixpk= 0, nxpk= 0, iat=1811,1828, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end # # 117 TRP HA 117 TRP HZ3 5.20 &rst ixpk= 0, nxpk= 0, iat=1811,1826, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 117 TRP HB2 118 SER H 4.83 &rst ixpk= 0, nxpk= 0, iat=1813,1833, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end # # 117 TRP HB3 118 SER H 5.12 &rst ixpk= 0, nxpk= 0, iat=1814,1833, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end # # 117 TRP HD1 119 TYR QE 3.95 &rst ixpk= 0, nxpk= 0, iat=1817, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, igr2=1854,1859, &end # # 117 TRP HE1 119 TYR QE 4.39 &rst ixpk= 0, nxpk= 0, iat=1819, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, igr2=1854,1859, &end # # 117 TRP HZ2 120 LYS H 5.38 &rst ixpk= 0, nxpk= 0, iat=1822,1865, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end # # 118 SER H 119 TYR H 4.74 &rst ixpk= 0, nxpk= 0, iat=1833,1844, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end # # 119 TYR HB3 120 LYS H 4.40 &rst ixpk= 0, nxpk= 0, iat=1849,1865, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 11 TYR H 117 TRP HE1 5.78 &rst ixpk= 0, nxpk= 0, iat= 143,1819, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end # # 11 TYR H 11 TYR HB3 4.18 &rst ixpk= 0, nxpk= 0, iat= 143, 148, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end # # 11 TYR H 12 LEU HG 4.50 &rst ixpk= 0, nxpk= 0, iat= 143, 171, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 11 TYR H 12 LEU QD2 4.26 &rst ixpk= 0, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, igr2= 177, 178, 179, &end # # 11 TYR HA 119 TYR QE 4.14 &rst ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr2=1854,1859, &end # # 11 TYR HA 11 TYR QD 4.01 &rst ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr2= 151, 160, &end # # 11 TYR HA 11 TYR QE 4.79 &rst ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr2= 153, 158, &end # # 11 TYR HA 125 TYR QE 5.80 &rst ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, igr2=1958,1963, &end # # 11 TYR HA 35 TYR QD 5.52 &rst ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, igr2= 524, 533, &end # # 11 TYR QD 117 TRP HD1 4.55 &rst ixpk= 0, nxpk= 0, iat= -1,1817, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, igr1= 151, 160, &end # # 11 TYR QD 125 TYR QD 5.16 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1= 151, 160, igr2=1956,1965, &end # # 11 TYR QE 117 TRP HE3 4.23 &rst ixpk= 0, nxpk= 0, iat= -1,1828, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, igr1= 153, 158, &end # # 11 TYR QE 35 TYR HA 4.64 &rst ixpk= 0, nxpk= 0, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, igr1= 153, 158, &end # # 11 TYR QE 36 PRO HB3 5.43 &rst ixpk= 0, nxpk= 0, iat= -1, 545, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, igr1= 153, 158, &end # # 11 TYR QE 36 PRO HG3 4.43 &rst ixpk= 0, nxpk= 0, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr1= 153, 158, &end # # 120 LYS H 120 LYS HG2 4.61 &rst ixpk= 0, nxpk= 0, iat=1865,1872, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end # # 120 LYS HB3 120 LYS QE 4.34 &rst ixpk= 0, nxpk= 0, iat=1870, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, igr2=1878,1879, &end # # 121 SER H 121 SER HB2 4.07 &rst ixpk= 0, nxpk= 0, iat=1887,1891, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end # # 121 SER H 126 LYS HA 5.32 &rst ixpk= 0, nxpk= 0, iat=1887,1971, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end # # 121 SER H 129 GLN HE21 5.07 &rst ixpk= 0, nxpk= 0, iat=1887,2040, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end # # 121 SER HB2 127 THR H 4.59 &rst ixpk= 0, nxpk= 0, iat=1891,1991, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end # # 121 SER HB3 127 THR H 4.32 &rst ixpk= 0, nxpk= 0, iat=1892,1991, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end # # 122 GLN H 126 LYS H 5.07 &rst ixpk= 0, nxpk= 0, iat=1898,1969, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end # # 122 GLN H 127 THR QG2 5.30 &rst ixpk= 0, nxpk= 0, iat=1898, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr2=1997,1998,1999, &end # # 122 GLN HE21 125 TYR QD 3.60 &rst ixpk= 0, nxpk= 0, iat=1911, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, igr2=1956,1965, &end # # 122 GLN HE22 125 TYR QD 3.86 &rst ixpk= 0, nxpk= 0, iat=1910, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, igr2=1956,1965, &end # # 122 GLN HG3 122 GLN HE21 3.72 &rst ixpk= 0, nxpk= 0, iat=1906,1911, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end # # 122 GLN QB 122 GLN HE22 4.55 &rst ixpk= 0, nxpk= 0, iat= -1,1910, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, igr1=1902,1903, &end # # 123 LEU H 123 LEU QD2 5.10 &rst ixpk= 0, nxpk= 0, iat=1915, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62, igr2=1928,1929,1930, &end # # 123 LEU HB2 125 TYR H 5.50 &rst ixpk= 0, nxpk= 0, iat=1919,1948, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 123 LEU HB3 124 ASN H 4.26 &rst ixpk= 0, nxpk= 0, iat=1920,1934, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end # # 123 LEU HG 124 ASN H 5.30 &rst ixpk= 0, nxpk= 0, iat=1922,1934, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 123 LEU QD2 124 ASN H 3.97 &rst ixpk= 0, nxpk= 0, iat= -1,1934, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr1=1928,1929,1930, &end # # 123 LEU QD2 124 ASN HD22 4.82 &rst ixpk= 0, nxpk= 0, iat= -1,1943, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, igr1=1928,1929,1930, &end # # 125 TYR HA 125 TYR QD 3.41 &rst ixpk= 0, nxpk= 0, iat=1950, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, igr2=1956,1965, &end # # 125 TYR HA 125 TYR QE 4.87 &rst ixpk= 0, nxpk= 0, iat=1950, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, igr2=1958,1963, &end # # 126 LYS H 127 THR H 4.80 &rst ixpk= 0, nxpk= 0, iat=1969,1991, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 126 LYS HA 126 LYS QD 4.30 &rst ixpk= 0, nxpk= 0, iat=1971, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr2=1979,1980, &end # # 126 LYS HB3 127 THR H 4.91 &rst ixpk= 0, nxpk= 0, iat=1974,1991, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end # # 127 THR H 127 THR HB 3.88 &rst ixpk= 0, nxpk= 0, iat=1991,1995, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end # # 127 THR HB 128 LYS H 4.38 &rst ixpk= 0, nxpk= 0, iat=1995,2005, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end # # 127 THR QG2 128 LYS H 3.92 &rst ixpk= 0, nxpk= 0, iat= -1,2005, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, igr1=1997,1998,1999, &end # # 128 LYS H 128 LYS QE 4.64 &rst ixpk= 0, nxpk= 0, iat=2005, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, igr2=2018,2019, &end # # 129 GLN HB2 130 LEU H 3.88 &rst ixpk= 0, nxpk= 0, iat=2031,2044, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end # # 129 GLN HG2 129 GLN HE21 3.70 &rst ixpk= 0, nxpk= 0, iat=2034,2040, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 12 LEU H 119 TYR QE 3.93 &rst ixpk= 0, nxpk= 0, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr2=1854,1859, &end # # 12 LEU HA 119 TYR QE 4.10 &rst ixpk= 0, nxpk= 0, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, igr2=1854,1859, &end # # 12 LEU HB3 13 LEU H 3.85 &rst ixpk= 0, nxpk= 0, iat= 169, 183, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end # # 12 LEU QD1 14 GLN HE21 4.36 &rst ixpk= 0, nxpk= 0, iat= -1, 215, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, igr1= 173, 174, 175, &end # # 12 LEU QD1 34 SER H 5.78 &rst ixpk= 0, nxpk= 0, iat= -1, 505, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44, igr1= 173, 174, 175, &end # # 12 LEU QD2 13 LEU H 3.97 &rst ixpk= 0, nxpk= 0, iat= -1, 183, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr1= 177, 178, 179, &end # # 130 LEU HA 130 LEU QD1 3.32 &rst ixpk= 0, nxpk= 0, iat=2046, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, igr2=2053,2054,2055, &end # # 130 LEU HA 131 SER HA 5.34 &rst ixpk= 0, nxpk= 0, iat=2046,2065, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end # # 130 LEU HB3 131 SER H 4.78 &rst ixpk= 0, nxpk= 0, iat=2049,2063, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end # # 130 LEU HG 131 SER H 4.15 &rst ixpk= 0, nxpk= 0, iat=2051,2063, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end # # 130 LEU HG 132 VAL QG2 3.96 &rst ixpk= 0, nxpk= 0, iat=2051, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr2=2084,2085,2086, &end # # 130 LEU QD1 131 SER HB3 4.62 &rst ixpk= 0, nxpk= 0, iat= -1,2068, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, igr1=2053,2054,2055, &end # # 130 LEU QD2 131 SER HA 5.62 &rst ixpk= 0, nxpk= 0, iat= -1,2065, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, igr1=2057,2058,2059, &end # # 131 SER H 131 SER HB3 3.68 &rst ixpk= 0, nxpk= 0, iat=2063,2068, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end # # 131 SER H 131 SER HB2 3.76 &rst ixpk= 0, nxpk= 0, iat=2063,2067, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end # # 131 SER H 132 VAL H 4.65 &rst ixpk= 0, nxpk= 0, iat=2063,2074, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end # # 131 SER HA 132 VAL HB 5.10 &rst ixpk= 0, nxpk= 0, iat=2065,2078, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 131 SER HB2 133 PHE QD 5.38 &rst ixpk= 0, nxpk= 0, iat=2067, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, igr2=2098,2106, &end # # 131 SER HB2 133 PHE QE 4.15 &rst ixpk= 0, nxpk= 0, iat=2067, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr2=2100,2104, &end # # 132 VAL H 132 VAL HB 3.76 &rst ixpk= 0, nxpk= 0, iat=2074,2078, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end # # 132 VAL HA 132 VAL QG2 3.31 &rst ixpk= 0, nxpk= 0, iat=2076, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, igr2=2084,2085,2086, &end # # 132 VAL QG1 133 PHE H 3.45 &rst ixpk= 0, nxpk= 0, iat= -1,2090, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, igr1=2080,2081,2082, &end # # 133 PHE H 133 PHE HB2 3.70 &rst ixpk= 0, nxpk= 0, iat=2090,2094, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 133 PHE H 133 PHE QD 4.28 &rst ixpk= 0, nxpk= 0, iat=2090, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr2=2098,2106, &end # # 133 PHE HA 134 VAL H 3.08 &rst ixpk= 0, nxpk= 0, iat=2092,2110, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end # # 133 PHE HA 134 VAL QG2 4.47 &rst ixpk= 0, nxpk= 0, iat=2092, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr2=2120,2121,2122, &end # # 133 PHE HB3 134 VAL QG2 5.35 &rst ixpk= 0, nxpk= 0, iat=2095, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93, igr2=2120,2121,2122, &end # # 136 ALA QB 137 LEU H 3.69 &rst ixpk= 0, nxpk= 0, iat= -1,2150, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, igr1=2144,2145,2146, &end # # 136 ALA QB 138 THR H 5.46 &rst ixpk= 0, nxpk= 0, iat= -1,2169, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, igr1=2144,2145,2146, &end # # 137 LEU H 137 LEU HB2 3.54 &rst ixpk= 0, nxpk= 0, iat=2150,2154, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 137 LEU HA 137 LEU QD2 3.06 &rst ixpk= 0, nxpk= 0, iat=2152, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, igr2=2163,2164,2165, &end # # 137 LEU HB3 138 THR H 4.65 &rst ixpk= 0, nxpk= 0, iat=2155,2169, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end # # 137 LEU QD2 138 THR H 4.64 &rst ixpk= 0, nxpk= 0, iat= -1,2169, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr1=2163,2164,2165, &end # # 138 THR H 138 THR HB 4.09 &rst ixpk= 0, nxpk= 0, iat=2169,2173, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end # # 138 THR H 138 THR QG2 3.96 &rst ixpk= 0, nxpk= 0, iat=2169, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr2=2175,2176,2177, &end # # 139 HIS HA 139 HIS HD2 4.83 &rst ixpk= 0, nxpk= 0, iat=2185,2196, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end # # 13 LEU H 119 TYR QE 4.50 &rst ixpk= 0, nxpk= 0, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1854,1859, &end # # 13 LEU H 13 LEU HB2 4.13 &rst ixpk= 0, nxpk= 0, iat= 183, 187, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end # # 13 LEU HA 13 LEU QD1 3.99 &rst ixpk= 0, nxpk= 0, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, igr2= 192, 193, 194, &end # # 13 LEU HB2 14 GLN H 4.43 &rst ixpk= 0, nxpk= 0, iat= 187, 202, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end # # 13 LEU QD1 119 TYR HB2 4.62 &rst ixpk= 0, nxpk= 0, iat= -1,1848, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, igr1= 192, 193, 194, &end # # 13 LEU QD1 119 TYR QE 3.99 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr1= 192, 193, 194, igr2=1854,1859, &end # # 13 LEU QD1 33 PHE HB2 4.27 &rst ixpk= 0, nxpk= 0, iat= -1, 489, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr1= 192, 193, 194, &end # # 13 LEU QD1 33 PHE HB3 4.19 &rst ixpk= 0, nxpk= 0, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr1= 192, 193, 194, &end # # 13 LEU QD1 34 SER H 4.93 &rst ixpk= 0, nxpk= 0, iat= -1, 505, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, igr1= 192, 193, 194, &end # # 13 LEU QD1 50 TRP HZ2 4.67 &rst ixpk= 0, nxpk= 0, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1= 192, 193, 194, &end # # 13 LEU QD2 129 GLN H 5.27 &rst ixpk= 0, nxpk= 0, iat= -1,2027, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83, igr1= 196, 197, 198, &end # # 13 LEU QD2 14 GLN H 4.35 &rst ixpk= 0, nxpk= 0, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr1= 196, 197, 198, &end # # 13 LEU QD2 15 VAL QG1 3.20 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, igr1= 196, 197, 198, igr2= 225, 226, 227, &end # # 143 VAL HA 144 PRO HG3 5.09 &rst ixpk= 0, nxpk= 0, iat=2239,2258, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end # # 144 PRO HA 145 ARG H 2.90 &rst ixpk= 0, nxpk= 0, iat=2263,2267, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end # # 14 GLN H 14 GLN HG3 4.33 &rst ixpk= 0, nxpk= 0, iat= 202, 210, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end # # 14 GLN H 33 PHE HA 3.95 &rst ixpk= 0, nxpk= 0, iat= 202, 487, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end # # 14 GLN H 34 SER H 5.30 &rst ixpk= 0, nxpk= 0, iat= 202, 505, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 14 GLN HA 15 VAL HA 4.93 &rst ixpk= 0, nxpk= 0, iat= 204, 221, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end # # 14 GLN HA 15 VAL QG1 5.04 &rst ixpk= 0, nxpk= 0, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, igr2= 225, 226, 227, &end # # 14 GLN HG3 14 GLN HE22 4.00 &rst ixpk= 0, nxpk= 0, iat= 210, 214, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 14 GLN QB 15 VAL H 4.08 &rst ixpk= 0, nxpk= 0, iat= -1, 219, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr1= 206, 207, &end # # 15 VAL H 15 VAL QG1 3.42 &rst ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr2= 225, 226, 227, &end # # 15 VAL H 16 GLN H 4.94 &rst ixpk= 0, nxpk= 0, iat= 219, 235, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end # # 15 VAL HA 15 VAL QG2 3.12 &rst ixpk= 0, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, igr2= 229, 230, 231, &end # # 15 VAL HA 17 GLU H 5.80 &rst ixpk= 0, nxpk= 0, iat= 221, 252, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 15 VAL HA 29 VAL QG1 4.62 &rst ixpk= 0, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, igr2= 440, 441, 442, &end # # 15 VAL HB 16 GLN H 4.81 &rst ixpk= 0, nxpk= 0, iat= 223, 235, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end # # 15 VAL HB 32 SER H 4.18 &rst ixpk= 0, nxpk= 0, iat= 223, 474, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end # # 15 VAL QG1 128 LYS H 5.61 &rst ixpk= 0, nxpk= 0, iat= -1,2005, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1= 225, 226, 227, &end # # 15 VAL QG1 129 GLN H 4.93 &rst ixpk= 0, nxpk= 0, iat= -1,2027, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, igr1= 225, 226, 227, &end # # 15 VAL QG1 16 GLN H 4.08 &rst ixpk= 0, nxpk= 0, iat= -1, 235, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, igr1= 225, 226, 227, &end # # 15 VAL QG1 17 GLU QG 4.38 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, igr1= 225, 226, 227, igr2= 259, 260, &end # # 15 VAL QG2 130 LEU QD2 3.89 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1= 229, 230, 231, igr2=2057,2058,2059, &end # # 15 VAL QG2 16 GLN QG 4.92 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13, igr1= 229, 230, 231, igr2= 242, 243, &end # # 15 VAL QG2 29 VAL QG1 3.21 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, igr1= 229, 230, 231, igr2= 440, 441, 442, &end # # 15 VAL QG2 31 CYX HA 4.15 &rst ixpk= 0, nxpk= 0, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, igr1= 229, 230, 231, &end # # 15 VAL QG2 31 CYX HB3 4.54 &rst ixpk= 0, nxpk= 0, iat= -1, 469, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, igr1= 229, 230, 231, &end # # 15 VAL QG2 32 SER H 4.67 &rst ixpk= 0, nxpk= 0, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1= 229, 230, 231, &end # # 15 VAL QG2 50 TRP HZ2 4.13 &rst ixpk= 0, nxpk= 0, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, igr1= 229, 230, 231, &end # # 16 GLN H 16 GLN HB2 3.58 &rst ixpk= 0, nxpk= 0, iat= 235, 239, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end # # 16 GLN H 31 CYX HA 5.05 &rst ixpk= 0, nxpk= 0, iat= 235, 466, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end # # 16 GLN HB3 16 GLN HE21 4.16 &rst ixpk= 0, nxpk= 0, iat= 240, 248, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end # # 16 GLN HB3 16 GLN HE22 4.42 &rst ixpk= 0, nxpk= 0, iat= 240, 247, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end # # 16 GLN HB3 17 GLU H 4.27 &rst ixpk= 0, nxpk= 0, iat= 240, 252, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end # # 16 GLN HE21 19 VAL HA 3.81 &rst ixpk= 0, nxpk= 0, iat= 248, 288, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end # # 16 GLN HE21 19 VAL QG1 4.71 &rst ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, igr2= 292, 293, 294, &end # # 16 GLN HE21 20 THR H 4.53 &rst ixpk= 0, nxpk= 0, iat= 248, 302, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end # # 16 GLN HE22 18 LEU H 5.68 &rst ixpk= 0, nxpk= 0, iat= 247, 267, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end # # 16 GLN QG 19 VAL HA 5.30 &rst ixpk= 0, nxpk= 0, iat= -1, 288, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, igr1= 242, 243, &end # # 16 GLN QG 19 VAL QG2 3.74 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr1= 242, 243, igr2= 296, 297, 298, &end # # 17 GLU H 130 LEU QD1 5.59 &rst ixpk= 0, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21, igr2=2053,2054,2055, &end # # 17 GLU H 17 GLU QG 3.28 &rst ixpk= 0, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, igr2= 259, 260, &end # # 17 GLU H 18 LEU HA 5.73 &rst ixpk= 0, nxpk= 0, iat= 252, 269, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end # # 17 GLU H 18 LEU HB3 5.45 &rst ixpk= 0, nxpk= 0, iat= 252, 272, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end # # 17 GLU HA 131 SER H 4.70 &rst ixpk= 0, nxpk= 0, iat= 254,2063, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 17 GLU HA 18 LEU HA 4.96 &rst ixpk= 0, nxpk= 0, iat= 254, 269, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end # # 18 LEU H 130 LEU QD1 4.45 &rst ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr2=2053,2054,2055, &end # # 18 LEU H 18 LEU HG 4.49 &rst ixpk= 0, nxpk= 0, iat= 267, 274, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end # # 18 LEU HA 131 SER HB3 3.67 &rst ixpk= 0, nxpk= 0, iat= 269,2068, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end # # 18 LEU HA 131 SER HB2 3.76 &rst ixpk= 0, nxpk= 0, iat= 269,2067, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end # # 18 LEU HA 133 PHE QD 5.09 &rst ixpk= 0, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, igr2=2098,2106, &end # # 18 LEU HA 19 VAL H 3.04 &rst ixpk= 0, nxpk= 0, iat= 269, 286, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end # # 18 LEU HB3 18 LEU QD2 3.07 &rst ixpk= 0, nxpk= 0, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, igr2= 280, 281, 282, &end # # 18 LEU HB3 19 VAL H 4.67 &rst ixpk= 0, nxpk= 0, iat= 272, 286, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end # # 18 LEU HB2 131 SER HB2 4.70 &rst ixpk= 0, nxpk= 0, iat= 271,2067, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 18 LEU HG 133 PHE QE 5.55 &rst ixpk= 0, nxpk= 0, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73, igr2=2100,2104, &end # # 18 LEU QD1 131 SER HB2 3.79 &rst ixpk= 0, nxpk= 0, iat= -1,2067, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, igr1= 276, 277, 278, &end # # 18 LEU QD1 132 VAL H 4.98 &rst ixpk= 0, nxpk= 0, iat= -1,2074, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, igr1= 276, 277, 278, &end # # 18 LEU QD1 133 PHE HA 5.27 &rst ixpk= 0, nxpk= 0, iat= -1,2092, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83, igr1= 276, 277, 278, &end # # 18 LEU QD1 133 PHE HB2 3.47 &rst ixpk= 0, nxpk= 0, iat= -1,2094, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, igr1= 276, 277, 278, &end # # 18 LEU QD1 133 PHE QE 3.40 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr1= 276, 277, 278, igr2=2100,2104, &end # # 18 LEU QD1 19 VAL H 3.15 &rst ixpk= 0, nxpk= 0, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, igr1= 276, 277, 278, &end # # 18 LEU QD1 20 THR HA 4.36 &rst ixpk= 0, nxpk= 0, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, igr1= 276, 277, 278, &end # # 19 VAL HB 132 VAL QG2 4.18 &rst ixpk= 0, nxpk= 0, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, igr2=2084,2085,2086, &end # # 19 VAL HB 133 PHE H 4.51 &rst ixpk= 0, nxpk= 0, iat= 290,2090, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end # # 19 VAL QG1 132 VAL HA 3.57 &rst ixpk= 0, nxpk= 0, iat= -1,2076, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, igr1= 292, 293, 294, &end # # 19 VAL QG1 21 VAL H 4.61 &rst ixpk= 0, nxpk= 0, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr1= 292, 293, 294, &end # # 19 VAL QG1 29 VAL QG2 3.08 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, igr1= 292, 293, 294, igr2= 444, 445, 446, &end # # 19 VAL QG2 130 LEU QD2 3.66 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr1= 296, 297, 298, igr2=2057,2058,2059, &end # # 19 VAL QG2 95 ILE QD1 4.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13, igr1= 296, 297, 298, igr2=1435,1436,1437, &end # # 20 THR H 20 THR HB 3.49 &rst ixpk= 0, nxpk= 0, iat= 302, 306, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end # # 20 THR H 21 VAL H 4.69 &rst ixpk= 0, nxpk= 0, iat= 302, 316, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end # # 20 THR HA 21 VAL H 3.04 &rst ixpk= 0, nxpk= 0, iat= 304, 316, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end # # 20 THR QG2 133 PHE H 4.10 &rst ixpk= 0, nxpk= 0, iat= -1,2090, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr1= 308, 309, 310, &end # # 20 THR QG2 134 VAL H 4.45 &rst ixpk= 0, nxpk= 0, iat= -1,2110, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr1= 308, 309, 310, &end # # 21 VAL H 21 VAL QG1 3.15 &rst ixpk= 0, nxpk= 0, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, igr2= 322, 323, 324, &end # # 21 VAL H 21 VAL QG2 4.94 &rst ixpk= 0, nxpk= 0, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, igr2= 326, 327, 328, &end # # 21 VAL HA 134 VAL HA 5.56 &rst ixpk= 0, nxpk= 0, iat= 318,2112, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end # # 21 VAL HA 21 VAL QG2 3.00 &rst ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr2= 326, 327, 328, &end # # 21 VAL HB 27 VAL QG1 3.61 &rst ixpk= 0, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, igr2= 407, 408, 409, &end # # 21 VAL QG1 25 LEU H 4.79 &rst ixpk= 0, nxpk= 0, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, igr1= 322, 323, 324, &end # # 21 VAL QG2 95 ILE QG2 4.95 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64, igr1= 326, 327, 328, igr2=1428,1429,1430, &end # # 21 VAL QG2 98 ALA H 5.52 &rst ixpk= 0, nxpk= 0, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13, igr1= 326, 327, 328, &end # # 22 GLN H 25 LEU HG 4.61 &rst ixpk= 0, nxpk= 0, iat= 332, 378, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end # # 22 GLN HA 134 VAL QG1 4.21 &rst ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr2=2116,2117,2118, &end # # 22 GLN HE21 137 LEU QD1 4.45 &rst ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr2=2159,2160,2161, &end # # 22 GLN HE21 138 THR H 4.65 &rst ixpk= 0, nxpk= 0, iat= 345,2169, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end # # 22 GLN HG2 135 THR QG2 4.59 &rst ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, igr2=2132,2133,2134, &end # # 22 GLN HG2 137 LEU HA 4.88 &rst ixpk= 0, nxpk= 0, iat= 339,2152, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end # # 22 GLN HG2 22 GLN HE22 3.97 &rst ixpk= 0, nxpk= 0, iat= 339, 344, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end # # 22 GLN HG3 135 THR HB 4.67 &rst ixpk= 0, nxpk= 0, iat= 340,2130, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end # # 22 GLN HG3 135 THR QG2 4.72 &rst ixpk= 0, nxpk= 0, iat= 340, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr2=2132,2133,2134, &end # # 22 GLN QB 135 THR H 5.02 &rst ixpk= 0, nxpk= 0, iat= -1,2126, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, igr1= 336, 337, &end # # 22 GLN QB 135 THR HB 4.89 &rst ixpk= 0, nxpk= 0, iat= -1,2130, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, igr1= 336, 337, &end # # 22 GLN QB 22 GLN HE21 4.12 &rst ixpk= 0, nxpk= 0, iat= -1, 345, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, igr1= 336, 337, &end # # 23 GLU H 134 VAL HA 5.54 &rst ixpk= 0, nxpk= 0, iat= 349,2112, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end # # 23 GLU H 135 THR HB 4.40 &rst ixpk= 0, nxpk= 0, iat= 349,2130, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 23 GLU HA 23 GLU HG3 3.69 &rst ixpk= 0, nxpk= 0, iat= 351, 357, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end # # 23 GLU HA 23 GLU HG2 3.68 &rst ixpk= 0, nxpk= 0, iat= 351, 356, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end # # 23 GLU HA 24 GLY H 3.30 &rst ixpk= 0, nxpk= 0, iat= 351, 364, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 23 GLU HA 99 ARG H 5.68 &rst ixpk= 0, nxpk= 0, iat= 351,1487, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end # # 25 LEU H 97 ASP HA 4.29 &rst ixpk= 0, nxpk= 0, iat= 371,1467, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end # # 25 LEU HB2 25 LEU QD2 3.59 &rst ixpk= 0, nxpk= 0, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, igr2= 384, 385, 386, &end # # 25 LEU HB2 26 SER H 3.46 &rst ixpk= 0, nxpk= 0, iat= 375, 390, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end # # 26 SER HA 27 VAL HA 4.83 &rst ixpk= 0, nxpk= 0, iat= 392, 403, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end # # 26 SER HB3 27 VAL H 3.57 &rst ixpk= 0, nxpk= 0, iat= 395, 401, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end # # 26 SER HB3 97 ASP H 4.88 &rst ixpk= 0, nxpk= 0, iat= 395,1465, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end # # 26 SER HB2 143 VAL HA 4.41 &rst ixpk= 0, nxpk= 0, iat= 394,2239, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end # # 26 SER HB2 27 VAL H 3.85 &rst ixpk= 0, nxpk= 0, iat= 394, 401, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end # # 27 VAL H 28 HIS HA 5.49 &rst ixpk= 0, nxpk= 0, iat= 401, 419, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end # # 27 VAL H 95 ILE HB 3.84 &rst ixpk= 0, nxpk= 0, iat= 401,1426, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end # # 27 VAL HA 95 ILE QD1 5.77 &rst ixpk= 0, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr2=1435,1436,1437, &end # # 27 VAL QG1 95 ILE H 3.58 &rst ixpk= 0, nxpk= 0, iat= -1,1422, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, igr1= 407, 408, 409, &end # # 28 HIS H 94 SER HA 5.22 &rst ixpk= 0, nxpk= 0, iat= 417,1413, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end # # 28 HIS HA 28 HIS HD2 4.07 &rst ixpk= 0, nxpk= 0, iat= 419, 430, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end # # 28 HIS HA 29 VAL HB 5.27 &rst ixpk= 0, nxpk= 0, iat= 419, 438, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end # # 28 HIS HA 94 SER H 5.18 &rst ixpk= 0, nxpk= 0, iat= 419,1411, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end # # 28 HIS HA 95 ILE H 3.98 &rst ixpk= 0, nxpk= 0, iat= 419,1422, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end # # 28 HIS HD2 29 VAL H 4.26 &rst ixpk= 0, nxpk= 0, iat= 430, 434, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end # # 28 HIS HD2 29 VAL HA 4.71 &rst ixpk= 0, nxpk= 0, iat= 430, 436, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end # # 28 HIS HD2 93 LEU H 5.51 &rst ixpk= 0, nxpk= 0, iat= 430,1392, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end # # 28 HIS HE1 92 SER HB2 5.49 &rst ixpk= 0, nxpk= 0, iat= 426,1385, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end # # 29 VAL H 29 VAL HB 3.67 &rst ixpk= 0, nxpk= 0, iat= 434, 438, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end # # 29 VAL H 94 SER HA 3.77 &rst ixpk= 0, nxpk= 0, iat= 434,1413, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end # # 29 VAL HA 130 LEU QD2 5.67 &rst ixpk= 0, nxpk= 0, iat= 436, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr2=2057,2058,2059, &end # # 29 VAL HA 30 PRO HD2 3.99 &rst ixpk= 0, nxpk= 0, iat= 436, 451, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end # # 29 VAL HB 93 LEU H 4.01 &rst ixpk= 0, nxpk= 0, iat= 438,1392, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end # # 29 VAL QG1 93 LEU QD2 4.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1= 440, 441, 442, igr2=1405,1406,1407, &end # # 29 VAL QG2 94 SER HA 4.22 &rst ixpk= 0, nxpk= 0, iat= -1,1413, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, igr1= 444, 445, 446, &end # # 31 CYX H 32 SER H 4.73 &rst ixpk= 0, nxpk= 0, iat= 464, 474, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end # # 31 CYX H 92 SER HB2 4.59 &rst ixpk= 0, nxpk= 0, iat= 464,1385, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end # # 31 CYX HB2 32 SER H 3.99 &rst ixpk= 0, nxpk= 0, iat= 468, 474, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end # # 31 CYX HB2 50 TRP HZ2 4.80 &rst ixpk= 0, nxpk= 0, iat= 468, 748, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 31 CYX HB3 32 SER H 4.50 &rst ixpk= 0, nxpk= 0, iat= 469, 474, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 32 SER H 33 PHE H 4.84 &rst ixpk= 0, nxpk= 0, iat= 474, 485, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end # # 32 SER HA 91 CYX H 3.79 &rst ixpk= 0, nxpk= 0, iat= 476,1371, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end # # 32 SER HA 92 SER H 4.94 &rst ixpk= 0, nxpk= 0, iat= 476,1381, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end # # 33 PHE H 34 SER H 4.91 &rst ixpk= 0, nxpk= 0, iat= 485, 505, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end # # 33 PHE QE 86 ILE HA 4.94 &rst ixpk= 0, nxpk= 0, iat= -1,1293, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr1= 495, 499, &end # # 33 PHE QE 90 ASP HA 5.06 &rst ixpk= 0, nxpk= 0, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr1= 495, 499, &end # # 33 PHE QE 91 CYX H 4.94 &rst ixpk= 0, nxpk= 0, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr1= 495, 499, &end # # 34 SER H 119 TYR QE 4.55 &rst ixpk= 0, nxpk= 0, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, igr2=1854,1859, &end # # 35 TYR HB2 40 TRP HE1 4.63 &rst ixpk= 0, nxpk= 0, iat= 520, 597, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end # # 35 TYR QD 115 MET QE 3.94 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, igr1= 524, 533, igr2=1781,1782,1783, &end # # 35 TYR QE 40 TRP HE1 3.66 &rst ixpk= 0, nxpk= 0, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr1= 526, 531, &end # # 36 PRO HA 38 ASP H 4.91 &rst ixpk= 0, nxpk= 0, iat= 547, 568, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end # # 36 PRO HB3 37 GLN H 4.40 &rst ixpk= 0, nxpk= 0, iat= 545, 551, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 37 GLN HA 40 TRP HD1 4.66 &rst ixpk= 0, nxpk= 0, iat= 553, 595, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end # # 37 GLN HA 40 TRP HE1 3.31 &rst ixpk= 0, nxpk= 0, iat= 553, 597, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end # # 38 ASP HB2 39 GLY H 4.65 &rst ixpk= 0, nxpk= 0, iat= 572, 580, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end # # 3 GLY H 4 ASP H 4.43 &rst ixpk= 0, nxpk= 0, iat= 36, 43, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end # # 40 TRP H 40 TRP HE1 4.80 &rst ixpk= 0, nxpk= 0, iat= 587, 597, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 40 TRP HA 113 GLY H 5.39 &rst ixpk= 0, nxpk= 0, iat= 589,1752, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end # # 40 TRP HA 114 SER H 4.33 &rst ixpk= 0, nxpk= 0, iat= 589,1759, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end # # 40 TRP HA 40 TRP HE3 4.75 &rst ixpk= 0, nxpk= 0, iat= 589, 606, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end # # 40 TRP HA 41 THR H 3.46 &rst ixpk= 0, nxpk= 0, iat= 589, 611, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end # # 40 TRP HA 41 THR QG2 4.03 &rst ixpk= 0, nxpk= 0, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, igr2= 617, 618, 619, &end # # 40 TRP HE1 115 MET QE 4.13 &rst ixpk= 0, nxpk= 0, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, igr2=1781,1782,1783, &end # # 40 TRP HE3 41 THR QG2 4.78 &rst ixpk= 0, nxpk= 0, iat= 606, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, igr2= 617, 618, 619, &end # # 40 TRP HE3 44 ASP H 4.65 &rst ixpk= 0, nxpk= 0, iat= 606, 648, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end # # 40 TRP QB 41 THR H 3.67 &rst ixpk= 0, nxpk= 0, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, igr1= 591, 592, &end # # 40 TRP QB 41 THR QG2 4.90 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 591, 592, igr2= 617, 618, 619, &end # # 41 THR H 42 ASP H 4.72 &rst ixpk= 0, nxpk= 0, iat= 611, 625, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end # # 41 THR QG2 43 SER H 4.51 &rst ixpk= 0, nxpk= 0, iat= -1, 637, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, igr1= 617, 618, 619, &end # # 42 ASP H 44 ASP H 4.56 &rst ixpk= 0, nxpk= 0, iat= 625, 648, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end # # 43 SER H 44 ASP H 3.37 &rst ixpk= 0, nxpk= 0, iat= 637, 648, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end # # 44 ASP H 44 ASP HB3 3.87 &rst ixpk= 0, nxpk= 0, iat= 648, 653, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end # # 44 ASP HA 45 PRO HD3 3.68 &rst ixpk= 0, nxpk= 0, iat= 650, 662, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end # # 44 ASP HA 45 PRO QB 5.21 &rst ixpk= 0, nxpk= 0, iat= 650, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, igr2= 667, 668, &end # # 47 HIS H 48 GLY H 4.98 &rst ixpk= 0, nxpk= 0, iat= 690, 707, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end # # 47 HIS HD2 48 GLY H 4.15 &rst ixpk= 0, nxpk= 0, iat= 703, 707, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end # # 49 TYR H 82 LEU QD1 4.46 &rst ixpk= 0, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, igr2=1243,1244,1245, &end # # 49 TYR QD 50 TRP H 4.60 &rst ixpk= 0, nxpk= 0, iat= -1, 735, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr1= 722, 731, &end # # 49 TYR QD 62 PRO HA 5.62 &rst ixpk= 0, nxpk= 0, iat= -1, 940, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81, igr1= 722, 731, &end # # 49 TYR QD 65 THR HA 4.89 &rst ixpk= 0, nxpk= 0, iat= -1, 972, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, igr1= 722, 731, &end # # 49 TYR QE 111 GLU QG 3.81 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1= 724, 729, igr2=1720,1721, &end # # 49 TYR QE 70 ARG H 5.26 &rst ixpk= 0, nxpk= 0, iat= -1,1038, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, igr1= 724, 729, &end # # 49 TYR QE 70 ARG HG2 4.48 &rst ixpk= 0, nxpk= 0, iat= -1,1045, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr1= 724, 729, &end # # 50 TRP H 50 TRP HB3 4.06 &rst ixpk= 0, nxpk= 0, iat= 735, 740, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end # # 50 TRP H 50 TRP HB2 3.98 &rst ixpk= 0, nxpk= 0, iat= 735, 739, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end # # 50 TRP H 50 TRP HD1 4.13 &rst ixpk= 0, nxpk= 0, iat= 735, 743, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end # # 50 TRP H 64 ALA QB 4.03 &rst ixpk= 0, nxpk= 0, iat= 735, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, igr2= 964, 965, 966, &end # # 50 TRP H 65 THR HA 4.67 &rst ixpk= 0, nxpk= 0, iat= 735, 972, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end # # 50 TRP H 82 LEU QD1 4.28 &rst ixpk= 0, nxpk= 0, iat= 735, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr2=1243,1244,1245, &end # # 50 TRP HA 107 PHE H 4.75 &rst ixpk= 0, nxpk= 0, iat= 737,1630, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end # # 50 TRP HA 108 PHE HA 4.51 &rst ixpk= 0, nxpk= 0, iat= 737,1652, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end # # 50 TRP HA 50 TRP HE3 4.51 &rst ixpk= 0, nxpk= 0, iat= 737, 754, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end # # 50 TRP HB2 63 VAL H 5.18 &rst ixpk= 0, nxpk= 0, iat= 739, 944, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end # # 50 TRP HD1 64 ALA QB 3.72 &rst ixpk= 0, nxpk= 0, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr2= 964, 965, 966, &end # # 50 TRP HD1 65 THR HA 5.27 &rst ixpk= 0, nxpk= 0, iat= 743, 972, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end # # 50 TRP HD1 82 LEU HG 4.55 &rst ixpk= 0, nxpk= 0, iat= 743,1241, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end # # 50 TRP HE1 82 LEU HG 5.80 &rst ixpk= 0, nxpk= 0, iat= 745,1241, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 50 TRP HE1 91 CYX HA 4.83 &rst ixpk= 0, nxpk= 0, iat= 745,1373, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end # # 50 TRP HE1 93 LEU QD1 4.73 &rst ixpk= 0, nxpk= 0, iat= 745, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr2=1401,1402,1403, &end # # 50 TRP HE1 93 LEU QD2 4.82 &rst ixpk= 0, nxpk= 0, iat= 745, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, igr2=1405,1406,1407, &end # # 50 TRP HE3 107 PHE HA 5.02 &rst ixpk= 0, nxpk= 0, iat= 754,1632, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end # # 50 TRP HE3 130 LEU QD2 4.49 &rst ixpk= 0, nxpk= 0, iat= 754, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr2=2057,2058,2059, &end # # 50 TRP HE3 93 LEU QD2 5.07 &rst ixpk= 0, nxpk= 0, iat= 754, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, igr2=1405,1406,1407, &end # # 50 TRP HH2 130 LEU HB2 4.29 &rst ixpk= 0, nxpk= 0, iat= 750,2048, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end # # 50 TRP HH2 130 LEU QD1 5.23 &rst ixpk= 0, nxpk= 0, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78, igr2=2053,2054,2055, &end # # 50 TRP HZ2 91 CYX HA 5.80 &rst ixpk= 0, nxpk= 0, iat= 748,1373, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 50 TRP HZ2 91 CYX QB 4.41 &rst ixpk= 0, nxpk= 0, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr2=1375,1376, &end # # 50 TRP HZ3 107 PHE HA 4.33 &rst ixpk= 0, nxpk= 0, iat= 752,1632, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end # # 50 TRP HZ3 130 LEU HB3 4.35 &rst ixpk= 0, nxpk= 0, iat= 752,2049, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end # # 50 TRP HZ3 93 LEU QD2 5.18 &rst ixpk= 0, nxpk= 0, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72, igr2=1405,1406,1407, &end # # 51 PHE H 107 PHE QE 5.04 &rst ixpk= 0, nxpk= 0, iat= 759, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, igr2=1640,1644, &end # # 51 PHE H 51 PHE HB2 3.97 &rst ixpk= 0, nxpk= 0, iat= 759, 763, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end # # 51 PHE H 63 VAL QG2 4.66 &rst ixpk= 0, nxpk= 0, iat= 759, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, igr2= 954, 955, 956, &end # # 51 PHE HA 62 PRO HA 4.44 &rst ixpk= 0, nxpk= 0, iat= 761, 940, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end # # 52 ARG H 106 TYR HA 5.30 &rst ixpk= 0, nxpk= 0, iat= 779,1611, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 52 ARG H 52 ARG HB2 3.64 &rst ixpk= 0, nxpk= 0, iat= 779, 783, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end # # 52 ARG H 63 VAL QG2 4.81 &rst ixpk= 0, nxpk= 0, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, igr2= 954, 955, 956, &end # # 52 ARG HA 53 ALA H 3.32 &rst ixpk= 0, nxpk= 0, iat= 781, 803, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end # # 52 ARG HB2 106 TYR QE 4.16 &rst ixpk= 0, nxpk= 0, iat= 783, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, igr2=1619,1624, &end # # 52 ARG QD 106 TYR QD 4.90 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 789, 790, igr2=1617,1626, &end # # 52 ARG QD 53 ALA H 5.29 &rst ixpk= 0, nxpk= 0, iat= -1, 803, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr1= 789, 790, &end # # 53 ALA H 106 TYR HA 3.68 &rst ixpk= 0, nxpk= 0, iat= 803,1611, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end # # 53 ALA H 53 ALA QB 3.17 &rst ixpk= 0, nxpk= 0, iat= 803, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, igr2= 807, 808, 809, &end # # 53 ALA HA 106 TYR HA 5.23 &rst ixpk= 0, nxpk= 0, iat= 805,1611, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end # # 53 ALA HA 107 PHE H 4.86 &rst ixpk= 0, nxpk= 0, iat= 805,1630, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end # # 53 ALA QB 105 SER HA 4.41 &rst ixpk= 0, nxpk= 0, iat= -1,1600, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 807, 808, 809, &end # # 53 ALA QB 106 TYR H 4.43 &rst ixpk= 0, nxpk= 0, iat= -1,1609, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, igr1= 807, 808, 809, &end # # 53 ALA QB 107 PHE H 4.83 &rst ixpk= 0, nxpk= 0, iat= -1,1630, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr1= 807, 808, 809, &end # # 55 ASP H 56 ARG H 4.98 &rst ixpk= 0, nxpk= 0, iat= 820, 832, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end # # 56 ARG QG 57 PRO HD3 4.75 &rst ixpk= 0, nxpk= 0, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, igr1= 839, 840, &end # # 57 PRO HB2 58 TYR QD 4.62 &rst ixpk= 0, nxpk= 0, iat= 863, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr2= 878, 887, &end # # 58 TYR HA 58 TYR QD 3.99 &rst ixpk= 0, nxpk= 0, iat= 872, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, igr2= 878, 887, &end # # 59 GLN H 59 GLN QG 4.01 &rst ixpk= 0, nxpk= 0, iat= 891, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr2= 898, 899, &end # # 59 GLN H 60 ASP HB2 4.95 &rst ixpk= 0, nxpk= 0, iat= 891, 912, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end # # 5 ARG H 5 ARG HG3 4.07 &rst ixpk= 0, nxpk= 0, iat= 55, 63, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end # # 5 ARG HA 5 ARG HG3 4.14 &rst ixpk= 0, nxpk= 0, iat= 57, 63, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end # # 5 ARG HA 5 ARG HG2 4.13 &rst ixpk= 0, nxpk= 0, iat= 57, 62, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end # # 5 ARG HA 5 ARG QD 4.77 &rst ixpk= 0, nxpk= 0, iat= 57, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, igr2= 65, 66, &end # # 5 ARG HB2 9 ASP HB3 4.86 &rst ixpk= 0, nxpk= 0, iat= 59, 129, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end # # 5 ARG HG3 6 GLN H 3.98 &rst ixpk= 0, nxpk= 0, iat= 63, 79, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end # # 60 ASP HB3 73 GLN HE21 4.91 &rst ixpk= 0, nxpk= 0, iat= 913,1106, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end # # 61 ALA QB 63 VAL QG1 5.41 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.80, r4= 8.30, igr1= 924, 925, 926, igr2= 950, 951, 952, &end # # 61 ALA QB 72 VAL HA 3.52 &rst ixpk= 0, nxpk= 0, iat= -1,1079, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, igr1= 924, 925, 926, &end # # 61 ALA QB 72 VAL QG2 5.19 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.49, r4= 7.99, igr1= 924, 925, 926, igr2=1087,1088,1089, &end # # 61 ALA QB 73 GLN HE21 3.76 &rst ixpk= 0, nxpk= 0, iat= -1,1106, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, igr1= 924, 925, 926, &end # # 61 ALA QB 73 GLN HE22 3.85 &rst ixpk= 0, nxpk= 0, iat= -1,1105, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, igr1= 924, 925, 926, &end # # 61 ALA QB 74 ALA H 4.80 &rst ixpk= 0, nxpk= 0, iat= -1,1110, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, igr1= 924, 925, 926, &end # # 63 VAL H 76 THR QG2 5.24 &rst ixpk= 0, nxpk= 0, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79, igr2=1141,1142,1143, &end # # 63 VAL HA 76 THR QG2 3.51 &rst ixpk= 0, nxpk= 0, iat= 946, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, igr2=1141,1142,1143, &end # # 63 VAL HB 106 TYR QE 4.68 &rst ixpk= 0, nxpk= 0, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, igr2=1619,1624, &end # # 63 VAL QG1 64 ALA QB 5.79 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, igr1= 950, 951, 952, igr2= 964, 965, 966, &end # # 63 VAL QG1 73 GLN H 4.52 &rst ixpk= 0, nxpk= 0, iat= -1,1093, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr1= 950, 951, 952, &end # # 63 VAL QG1 73 GLN HE22 4.95 &rst ixpk= 0, nxpk= 0, iat= -1,1105, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr1= 950, 951, 952, &end # # 63 VAL QG1 76 THR QG2 3.34 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, igr1= 950, 951, 952, igr2=1141,1142,1143, &end # # 63 VAL QG2 64 ALA H 3.47 &rst ixpk= 0, nxpk= 0, iat= -1, 960, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, igr1= 954, 955, 956, &end # # 63 VAL QG2 76 THR HB 4.80 &rst ixpk= 0, nxpk= 0, iat= -1,1139, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, igr1= 954, 955, 956, &end # # 63 VAL QG2 80 PHE QE 4.09 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, igr1= 954, 955, 956, igr2=1207,1211, &end # # 64 ALA H 93 LEU QD1 5.15 &rst ixpk= 0, nxpk= 0, iat= 960, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68, igr2=1401,1402,1403, &end # # 64 ALA HA 93 LEU QD1 4.59 &rst ixpk= 0, nxpk= 0, iat= 962, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, igr2=1401,1402,1403, &end # # 64 ALA QB 65 THR H 3.54 &rst ixpk= 0, nxpk= 0, iat= -1, 970, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, igr1= 964, 965, 966, &end # # 64 ALA QB 80 PHE HA 4.31 &rst ixpk= 0, nxpk= 0, iat= -1,1199, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, igr1= 964, 965, 966, &end # # 64 ALA QB 93 LEU QD2 4.14 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, igr1= 964, 965, 966, igr2=1405,1406,1407, &end # # 65 THR H 72 VAL HB 5.33 &rst ixpk= 0, nxpk= 0, iat= 970,1081, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end # # 65 THR H 72 VAL QG2 5.26 &rst ixpk= 0, nxpk= 0, iat= 970, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82, igr2=1087,1088,1089, &end # # 65 THR QG2 67 ASN H 3.79 &rst ixpk= 0, nxpk= 0, iat= -1, 998, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, igr1= 976, 977, 978, &end # # 65 THR QG2 72 VAL HB 4.83 &rst ixpk= 0, nxpk= 0, iat= -1,1081, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr1= 976, 977, 978, &end # # 66 ASN H 67 ASN H 4.26 &rst ixpk= 0, nxpk= 0, iat= 984, 998, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end # # 67 ASN H 67 ASN HB3 4.16 &rst ixpk= 0, nxpk= 0, iat= 998,1003, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end # # 68 PRO HA 70 ARG H 4.88 &rst ixpk= 0, nxpk= 0, iat=1022,1038, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end # # 68 PRO HB2 69 ASP HA 4.94 &rst ixpk= 0, nxpk= 0, iat=1019,1028, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end # # 69 ASP HB2 70 ARG H 4.25 &rst ixpk= 0, nxpk= 0, iat=1030,1038, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end # # 6 GLN H 6 GLN HG3 3.32 &rst ixpk= 0, nxpk= 0, iat= 79, 87, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end # # 6 GLN H 6 GLN HG2 3.93 &rst ixpk= 0, nxpk= 0, iat= 79, 86, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end # # 6 GLN H 9 ASP HB3 4.19 &rst ixpk= 0, nxpk= 0, iat= 79, 129, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end # # 6 GLN HA 6 GLN HE22 5.80 &rst ixpk= 0, nxpk= 0, iat= 81, 91, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 6 GLN HA 6 GLN HG3 3.95 &rst ixpk= 0, nxpk= 0, iat= 81, 87, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end # # 6 GLN HB2 7 TYR H 3.64 &rst ixpk= 0, nxpk= 0, iat= 83, 96, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end # # 70 ARG H 71 GLU H 5.03 &rst ixpk= 0, nxpk= 0, iat=1038,1062, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end # # 71 GLU H 71 GLU HG3 4.04 &rst ixpk= 0, nxpk= 0, iat=1062,1070, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end # # 71 GLU HG3 72 VAL H 4.02 &rst ixpk= 0, nxpk= 0, iat=1070,1077, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end # # 72 VAL H 72 VAL QG1 3.67 &rst ixpk= 0, nxpk= 0, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr2=1083,1084,1085, &end # # 72 VAL HA 73 GLN H 3.49 &rst ixpk= 0, nxpk= 0, iat=1079,1093, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end # # 72 VAL QG1 73 GLN H 4.18 &rst ixpk= 0, nxpk= 0, iat= -1,1093, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, igr1=1083,1084,1085, &end # # 72 VAL QG2 79 ARG H 6.00 &rst ixpk= 0, nxpk= 0, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1087,1088,1089, &end # # 73 GLN H 73 GLN HG3 4.74 &rst ixpk= 0, nxpk= 0, iat=1093,1101, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end # # 73 GLN H 73 GLN HG2 3.52 &rst ixpk= 0, nxpk= 0, iat=1093,1100, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end # # 73 GLN HA 73 GLN HE22 5.34 &rst ixpk= 0, nxpk= 0, iat=1095,1105, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end # # 73 GLN HA 75 GLU H 4.71 &rst ixpk= 0, nxpk= 0, iat=1095,1120, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end # # 74 ALA HA 77 GLN H 3.85 &rst ixpk= 0, nxpk= 0, iat=1112,1149, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end # # 74 ALA HA 77 GLN QB 3.41 &rst ixpk= 0, nxpk= 0, iat=1112, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, igr2=1153,1154, &end # # 74 ALA HA 77 GLN QG 4.07 &rst ixpk= 0, nxpk= 0, iat=1112, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, igr2=1156,1157, &end # # 74 ALA QB 76 THR H 4.68 &rst ixpk= 0, nxpk= 0, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, igr1=1114,1115,1116, &end # # 74 ALA QB 77 GLN H 5.00 &rst ixpk= 0, nxpk= 0, iat= -1,1149, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=1114,1115,1116, &end # # 75 GLU H 77 GLN H 4.50 &rst ixpk= 0, nxpk= 0, iat=1120,1149, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 75 GLU HA 76 THR QG2 4.84 &rst ixpk= 0, nxpk= 0, iat=1122, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, igr2=1141,1142,1143, &end # # 75 GLU QG 76 THR H 4.41 &rst ixpk= 0, nxpk= 0, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1=1127,1128, &end # # 76 THR HA 80 PHE H 4.37 &rst ixpk= 0, nxpk= 0, iat=1137,1197, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end # # 76 THR HB 79 ARG H 5.06 &rst ixpk= 0, nxpk= 0, iat=1139,1173, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end # # 76 THR HB 93 LEU QD1 5.68 &rst ixpk= 0, nxpk= 0, iat=1139, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32, igr2=1401,1402,1403, &end # # 76 THR QG2 80 PHE HB2 4.44 &rst ixpk= 0, nxpk= 0, iat= -1,1201, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, igr1=1141,1142,1143, &end # # 77 GLN H 78 GLY H 5.00 &rst ixpk= 0, nxpk= 0, iat=1149,1166, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 77 GLN QB 78 GLY H 4.26 &rst ixpk= 0, nxpk= 0, iat= -1,1166, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, igr1=1153,1154, &end # # 77 GLN QG 78 GLY H 4.30 &rst ixpk= 0, nxpk= 0, iat= -1,1166, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr1=1156,1157, &end # # 79 ARG H 79 ARG HD3 5.30 &rst ixpk= 0, nxpk= 0, iat=1173,1184, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 79 ARG H 80 PHE H 3.31 &rst ixpk= 0, nxpk= 0, iat=1173,1197, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end # # 79 ARG HA 96 ARG H 4.41 &rst ixpk= 0, nxpk= 0, iat=1175,1441, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end # # 7 TYR QD 124 ASN H 5.12 &rst ixpk= 0, nxpk= 0, iat= -1,1934, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, igr1= 104, 113, &end # # 7 TYR QD 125 TYR QD 4.91 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69, igr1= 104, 113, igr2=1956,1965, &end # # 7 TYR QD 8 GLY H 4.32 &rst ixpk= 0, nxpk= 0, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr1= 104, 113, &end # # 7 TYR QE 122 GLN HA 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1900, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 106, 111, &end # # 7 TYR QE 122 GLN HE21 3.81 &rst ixpk= 0, nxpk= 0, iat= -1,1911, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, igr1= 106, 111, &end # # 7 TYR QE 122 GLN HG2 4.52 &rst ixpk= 0, nxpk= 0, iat= -1,1905, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, igr1= 106, 111, &end # # 7 TYR QE 122 GLN HG3 4.55 &rst ixpk= 0, nxpk= 0, iat= -1,1906, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, igr1= 106, 111, &end # # 7 TYR QE 125 TYR HB2 4.28 &rst ixpk= 0, nxpk= 0, iat= -1,1952, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1= 106, 111, &end # # 7 TYR QE 125 TYR HB3 4.35 &rst ixpk= 0, nxpk= 0, iat= -1,1953, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, igr1= 106, 111, &end # # 7 TYR QE 125 TYR QD 4.15 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, igr1= 106, 111, igr2=1956,1965, &end # # 7 TYR QE 8 GLY H 5.69 &rst ixpk= 0, nxpk= 0, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89, igr1= 106, 111, &end # # 80 PHE HA 95 ILE HA 3.79 &rst ixpk= 0, nxpk= 0, iat=1199,1424, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end # # 80 PHE HA 96 ARG H 4.02 &rst ixpk= 0, nxpk= 0, iat=1199,1441, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end # # 80 PHE HB2 93 LEU QD1 4.48 &rst ixpk= 0, nxpk= 0, iat=1201, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr2=1401,1402,1403, &end # # 80 PHE HB3 81 GLN H 4.62 &rst ixpk= 0, nxpk= 0, iat=1202,1217, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end # # 80 PHE HZ 93 LEU QD2 4.77 &rst ixpk= 0, nxpk= 0, iat=1209, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, igr2=1405,1406,1407, &end # # 80 PHE QD 81 GLN H 4.80 &rst ixpk= 0, nxpk= 0, iat= -1,1217, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr1=1205,1213, &end # # 80 PHE QE 102 ASP HB3 4.32 &rst ixpk= 0, nxpk= 0, iat= -1,1562, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr1=1207,1211, &end # # 80 PHE QE 132 VAL QG2 4.97 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, igr1=1207,1211, igr2=2084,2085,2086, &end # # 80 PHE QE 98 ALA QB 5.37 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74, igr1=1207,1211, igr2=1481,1482,1483, &end # # 81 GLN H 81 GLN HB3 3.97 &rst ixpk= 0, nxpk= 0, iat=1217,1222, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end # # 81 GLN H 83 LEU HG 5.80 &rst ixpk= 0, nxpk= 0, iat=1217,1260, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 81 GLN H 93 LEU QD1 3.75 &rst ixpk= 0, nxpk= 0, iat=1217, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr2=1401,1402,1403, &end # # 81 GLN H 93 LEU QD2 5.65 &rst ixpk= 0, nxpk= 0, iat=1217, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29, igr2=1405,1406,1407, &end # # 81 GLN H 94 SER QB 3.91 &rst ixpk= 0, nxpk= 0, iat=1217, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, igr2=1415,1416, &end # # 81 GLN HB2 81 GLN HE21 4.85 &rst ixpk= 0, nxpk= 0, iat=1221,1230, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end # # 81 GLN HB2 83 LEU QD2 4.00 &rst ixpk= 0, nxpk= 0, iat=1221, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr2=1266,1267,1268, &end # # 81 GLN HB2 93 LEU QD1 5.80 &rst ixpk= 0, nxpk= 0, iat=1221, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, igr2=1401,1402,1403, &end # # 81 GLN HB2 94 SER H 5.37 &rst ixpk= 0, nxpk= 0, iat=1221,1411, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end # # 81 GLN HB3 82 LEU H 4.32 &rst ixpk= 0, nxpk= 0, iat=1222,1234, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end # # 81 GLN HB3 94 SER H 5.80 &rst ixpk= 0, nxpk= 0, iat=1222,1411, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 81 GLN HB3 94 SER QB 4.86 &rst ixpk= 0, nxpk= 0, iat=1222, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, igr2=1415,1416, &end # # 81 GLN HE22 83 LEU QD1 5.26 &rst ixpk= 0, nxpk= 0, iat=1229, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82, igr2=1262,1263,1264, &end # # 81 GLN HG2 81 GLN HE22 3.85 &rst ixpk= 0, nxpk= 0, iat=1224,1229, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end # # 82 LEU HB2 93 LEU QD1 5.80 &rst ixpk= 0, nxpk= 0, iat=1238, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, igr2=1401,1402,1403, &end # # 82 LEU QD2 93 LEU QD2 4.21 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1247,1248,1249, igr2=1405,1406,1407, &end # # 83 LEU H 83 LEU QD1 4.11 &rst ixpk= 0, nxpk= 0, iat=1253, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, igr2=1262,1263,1264, &end # # 83 LEU HA 83 LEU QD1 4.42 &rst ixpk= 0, nxpk= 0, iat=1255, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, igr2=1262,1263,1264, &end # # 83 LEU QD2 92 SER HB2 5.56 &rst ixpk= 0, nxpk= 0, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18, igr1=1266,1267,1268, &end # # 83 LEU QD2 94 SER QB 3.65 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr1=1266,1267,1268, igr2=1415,1416, &end # # 85 ASP H 88 SER H 4.85 &rst ixpk= 0, nxpk= 0, iat=1279,1334, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end # # 87 TRP H 87 TRP HB2 4.01 &rst ixpk= 0, nxpk= 0, iat=1310,1314, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end # # 87 TRP HB2 88 SER H 4.87 &rst ixpk= 0, nxpk= 0, iat=1314,1334, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end # # 88 SER H 90 ASP H 4.43 &rst ixpk= 0, nxpk= 0, iat=1334,1359, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end # # 88 SER HA 90 ASP H 5.37 &rst ixpk= 0, nxpk= 0, iat=1336,1359, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end # # 88 SER HB2 90 ASP H 5.45 &rst ixpk= 0, nxpk= 0, iat=1338,1359, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end # # 8 GLY H 117 TRP HZ3 5.39 &rst ixpk= 0, nxpk= 0, iat= 117,1826, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end # # 8 GLY H 125 TYR QD 5.48 &rst ixpk= 0, nxpk= 0, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, igr2=1956,1965, &end # # 8 GLY HA3 11 TYR QD 4.58 &rst ixpk= 0, nxpk= 0, iat= 120, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr2= 151, 160, &end # # 8 GLY HA2 117 TRP HZ2 4.18 &rst ixpk= 0, nxpk= 0, iat= 119,1822, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end # # 90 ASP H 91 CYX H 5.03 &rst ixpk= 0, nxpk= 0, iat=1359,1371, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end # # 90 ASP HA 92 SER H 4.21 &rst ixpk= 0, nxpk= 0, iat=1361,1381, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end # # 90 ASP HB3 91 CYX H 4.11 &rst ixpk= 0, nxpk= 0, iat=1364,1371, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end # # 90 ASP HB3 92 SER H 4.47 &rst ixpk= 0, nxpk= 0, iat=1364,1381, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end # # 91 CYX H 92 SER H 3.66 &rst ixpk= 0, nxpk= 0, iat=1371,1381, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end # # 92 SER H 92 SER HB3 4.21 &rst ixpk= 0, nxpk= 0, iat=1381,1386, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end # # 92 SER HB3 93 LEU H 4.16 &rst ixpk= 0, nxpk= 0, iat=1386,1392, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end # # 93 LEU H 94 SER H 4.90 &rst ixpk= 0, nxpk= 0, iat=1392,1411, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 93 LEU HG 94 SER H 3.89 &rst ixpk= 0, nxpk= 0, iat=1399,1411, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end # # 93 LEU QD2 106 TYR QE 5.17 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, igr1=1405,1406,1407, igr2=1619,1624, &end # # 93 LEU QD2 95 ILE H 5.33 &rst ixpk= 0, nxpk= 0, iat= -1,1422, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, igr1=1405,1406,1407, &end # # 93 LEU QD2 95 ILE HA 5.36 &rst ixpk= 0, nxpk= 0, iat= -1,1424, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94, igr1=1405,1406,1407, &end # # 93 LEU QD2 95 ILE QG2 5.25 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, igr1=1405,1406,1407, igr2=1428,1429,1430, &end # # 94 SER H 94 SER QB 3.48 &rst ixpk= 0, nxpk= 0, iat=1411, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, igr2=1415,1416, &end # # 94 SER HA 95 ILE H 3.19 &rst ixpk= 0, nxpk= 0, iat=1413,1422, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end # # 94 SER HA 95 ILE QD1 4.75 &rst ixpk= 0, nxpk= 0, iat=1413, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr2=1435,1436,1437, &end # # 95 ILE HA 95 ILE HG13 4.12 &rst ixpk= 0, nxpk= 0, iat=1424,1433, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end # # 95 ILE HA 95 ILE QG2 3.46 &rst ixpk= 0, nxpk= 0, iat=1424, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, igr2=1428,1429,1430, &end # # 95 ILE HB 132 VAL QG2 5.34 &rst ixpk= 0, nxpk= 0, iat=1426, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91, igr2=2084,2085,2086, &end # # 95 ILE HG13 96 ARG H 4.78 &rst ixpk= 0, nxpk= 0, iat=1433,1441, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end # # 95 ILE QD1 102 ASP HB3 5.08 &rst ixpk= 0, nxpk= 0, iat= -1,1562, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, igr1=1435,1436,1437, &end # # 95 ILE QD1 98 ALA QB 4.72 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1435,1436,1437, igr2=1481,1482,1483, &end # # 95 ILE QG2 102 ASP HB3 4.94 &rst ixpk= 0, nxpk= 0, iat= -1,1562, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, igr1=1428,1429,1430, &end # # 95 ILE QG2 97 ASP H 4.70 &rst ixpk= 0, nxpk= 0, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, igr1=1428,1429,1430, &end # # 95 ILE QG2 98 ALA QB 3.26 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, igr1=1428,1429,1430, igr2=1481,1482,1483, &end # # 95 ILE QG2 99 ARG H 4.43 &rst ixpk= 0, nxpk= 0, iat= -1,1487, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, igr1=1428,1429,1430, &end # # 96 ARG HA 96 ARG QD 4.05 &rst ixpk= 0, nxpk= 0, iat=1443, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, igr2=1451,1452, &end # # 96 ARG HA 97 ASP H 3.30 &rst ixpk= 0, nxpk= 0, iat=1443,1465, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 97 ASP H 97 ASP HB2 4.04 &rst ixpk= 0, nxpk= 0, iat=1465,1469, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end # # 97 ASP HB3 98 ALA H 4.63 &rst ixpk= 0, nxpk= 0, iat=1470,1477, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end # # 98 ALA H 134 VAL QG2 5.80 &rst ixpk= 0, nxpk= 0, iat=1477, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, igr2=2120,2121,2122, &end # # 99 ARG H 102 ASP HB2 4.66 &rst ixpk= 0, nxpk= 0, iat=1487,1561, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end # # 99 ARG H 99 ARG HG2 4.87 &rst ixpk= 0, nxpk= 0, iat=1487,1494, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end # # 99 ARG HB2 102 ASP H 4.95 &rst ixpk= 0, nxpk= 0, iat=1491,1557, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end # # 9 ASP H 10 GLY H 4.94 &rst ixpk= 0, nxpk= 0, iat= 124, 136, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end # # 9 ASP HB3 10 GLY H 4.93 &rst ixpk= 0, nxpk= 0, iat= 129, 136, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end # # 100 LYS H 102 ASP H 4.86 &rst ixpk= 0, nxpk= 0, iat=1511,1557, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end # # 100 LYS H 134 VAL HB 5.40 &rst ixpk= 0, nxpk= 0, iat=1511,2114, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 100 LYS HA 100 LYS HG2 4.11 &rst ixpk= 0, nxpk= 0, iat=1513,1518, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end # # 100 LYS HA 134 VAL HA 5.51 &rst ixpk= 0, nxpk= 0, iat=1513,2112, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end # # 101 ARG H 101 ARG QD 4.71 &rst ixpk= 0, nxpk= 0, iat=1533, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, igr2=1543,1544, &end # # 101 ARG QG 102 ASP H 4.74 &rst ixpk= 0, nxpk= 0, iat= -1,1557, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, igr1=1540,1541, &end # # 102 ASP H 134 VAL QG1 4.85 &rst ixpk= 0, nxpk= 0, iat=1557, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, igr2=2116,2117,2118, &end # # 103 LYS H 103 LYS HD2 5.14 &rst ixpk= 0, nxpk= 0, iat=1569,1579, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end # # 103 LYS H 104 GLY H 4.80 &rst ixpk= 0, nxpk= 0, iat=1569,1591, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 103 LYS H 134 VAL QG1 4.76 &rst ixpk= 0, nxpk= 0, iat=1569, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, igr2=2116,2117,2118, &end # # 103 LYS H 134 VAL QG2 3.67 &rst ixpk= 0, nxpk= 0, iat=1569, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr2=2120,2121,2122, &end # # 103 LYS HA 103 LYS HG3 3.88 &rst ixpk= 0, nxpk= 0, iat=1571,1577, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end # # 103 LYS HA 134 VAL H 4.30 &rst ixpk= 0, nxpk= 0, iat=1571,2110, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end # # 103 LYS HB3 103 LYS HD3 4.15 &rst ixpk= 0, nxpk= 0, iat=1574,1580, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end # # 103 LYS HB2 134 VAL H 4.22 &rst ixpk= 0, nxpk= 0, iat=1573,2110, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end # # 103 LYS HD2 133 PHE QE 5.65 &rst ixpk= 0, nxpk= 0, iat=1579, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84, igr2=2100,2104, &end # # 103 LYS HG2 103 LYS QE 3.92 &rst ixpk= 0, nxpk= 0, iat=1576, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr2=1582,1583, &end # # 103 LYS HG2 134 VAL H 4.42 &rst ixpk= 0, nxpk= 0, iat=1576,2110, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end # # 104 GLY H 105 SER HA 5.12 &rst ixpk= 0, nxpk= 0, iat=1591,1600, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end # # 104 GLY H 106 TYR QE 4.19 &rst ixpk= 0, nxpk= 0, iat=1591, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, igr2=1619,1624, &end # # 104 GLY H 131 SER HA 5.21 &rst ixpk= 0, nxpk= 0, iat=1591,2065, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end # # 104 GLY H 132 VAL H 3.99 &rst ixpk= 0, nxpk= 0, iat=1591,2074, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end # # 104 GLY H 132 VAL QG1 4.13 &rst ixpk= 0, nxpk= 0, iat=1591, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, igr2=2080,2081,2082, &end # # 105 SER H 105 SER HB3 4.18 &rst ixpk= 0, nxpk= 0, iat=1598,1603, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end # # 105 SER H 106 TYR H 4.71 &rst ixpk= 0, nxpk= 0, iat=1598,1609, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end # # 105 SER HA 106 TYR QE 4.51 &rst ixpk= 0, nxpk= 0, iat=1600, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr2=1619,1624, &end # # 105 SER HA 131 SER HB3 5.20 &rst ixpk= 0, nxpk= 0, iat=1600,2068, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 105 SER HB3 106 TYR H 3.76 &rst ixpk= 0, nxpk= 0, iat=1603,1609, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end # # 106 TYR H 106 TYR HB2 4.13 &rst ixpk= 0, nxpk= 0, iat=1609,1613, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end # # 106 TYR H 106 TYR QD 3.57 &rst ixpk= 0, nxpk= 0, iat=1609, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, igr2=1617,1626, &end # # 106 TYR H 106 TYR QE 5.03 &rst ixpk= 0, nxpk= 0, iat=1609, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, igr2=1619,1624, &end # # 106 TYR H 107 PHE H 4.71 &rst ixpk= 0, nxpk= 0, iat=1609,1630, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end # # 106 TYR H 130 LEU H 4.32 &rst ixpk= 0, nxpk= 0, iat=1609,2044, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end # # 106 TYR H 131 SER HA 3.85 &rst ixpk= 0, nxpk= 0, iat=1609,2065, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end # # 106 TYR H 132 VAL QG2 4.84 &rst ixpk= 0, nxpk= 0, iat=1609, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, igr2=2084,2085,2086, &end # # 106 TYR HA 106 TYR QD 3.92 &rst ixpk= 0, nxpk= 0, iat=1611, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr2=1617,1626, &end # # 106 TYR HA 106 TYR QE 5.30 &rst ixpk= 0, nxpk= 0, iat=1611, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, igr2=1619,1624, &end # # 106 TYR HA 130 LEU QD2 5.80 &rst ixpk= 0, nxpk= 0, iat=1611, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, igr2=2057,2058,2059, &end # # 106 TYR QD 130 LEU QD2 4.15 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, igr1=1617,1626, igr2=2057,2058,2059, &end # # 106 TYR QD 132 VAL H 4.19 &rst ixpk= 0, nxpk= 0, iat= -1,2074, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, igr1=1617,1626, &end # # 106 TYR QD 132 VAL HB 4.12 &rst ixpk= 0, nxpk= 0, iat= -1,2078, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, igr1=1617,1626, &end # # 106 TYR QE 106 TYR HH 3.32 &rst ixpk= 0, nxpk= 0, iat= -1,1622, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, igr1=1619,1624, &end # # 106 TYR QE 130 LEU QD1 5.47 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87, igr1=1619,1624, igr2=2053,2054,2055, &end # # 106 TYR QE 130 LEU QD2 5.48 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr1=1619,1624, igr2=2057,2058,2059, &end # # 106 TYR QE 132 VAL H 4.07 &rst ixpk= 0, nxpk= 0, iat= -1,2074, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, igr1=1619,1624, &end # # 106 TYR QE 132 VAL HA 5.14 &rst ixpk= 0, nxpk= 0, iat= -1,2076, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, igr1=1619,1624, &end # # 106 TYR QE 132 VAL HB 3.50 &rst ixpk= 0, nxpk= 0, iat= -1,2078, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1619,1624, &end # # 106 TYR QE 132 VAL QG2 3.31 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, igr1=1619,1624, igr2=2084,2085,2086, &end # # 107 PHE H 107 PHE QE 4.64 &rst ixpk= 0, nxpk= 0, iat=1630, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, igr2=1640,1644, &end # # 107 PHE H 108 PHE H 4.75 &rst ixpk= 0, nxpk= 0, iat=1630,1650, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end # # 107 PHE HA 130 LEU H 4.95 &rst ixpk= 0, nxpk= 0, iat=1632,2044, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end # # 107 PHE QD 108 PHE H 4.18 &rst ixpk= 0, nxpk= 0, iat= -1,1650, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, igr1=1638,1646, &end # # 107 PHE QE 109 ARG HA 5.30 &rst ixpk= 0, nxpk= 0, iat= -1,1672, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, igr1=1640,1644, &end # # 109 ARG H 109 ARG QB 4.03 &rst ixpk= 0, nxpk= 0, iat=1670, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, igr2=1674,1675, &end # # 10 GLY H 12 LEU HG 4.59 &rst ixpk= 0, nxpk= 0, iat= 136, 171, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end # # 110 LEU H 111 GLU H 4.86 &rst ixpk= 0, nxpk= 0, iat=1694,1713, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end # # 110 LEU H 117 TRP H 4.52 &rst ixpk= 0, nxpk= 0, iat=1694,1809, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end # # 110 LEU H 119 TYR QE 4.48 &rst ixpk= 0, nxpk= 0, iat=1694, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr2=1854,1859, &end # # 110 LEU HB3 111 GLU H 4.68 &rst ixpk= 0, nxpk= 0, iat=1699,1713, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end # # 110 LEU HG 111 GLU H 4.25 &rst ixpk= 0, nxpk= 0, iat=1701,1713, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end # # 110 LEU QD1 119 TYR QE 5.14 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1703,1704,1705, igr2=1854,1859, &end # # 111 GLU H 117 TRP H 5.74 &rst ixpk= 0, nxpk= 0, iat=1713,1809, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, &end # # 112 ARG H 115 MET H 4.24 &rst ixpk= 0, nxpk= 0, iat=1728,1770, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end # # 112 ARG H 115 MET HA 5.69 &rst ixpk= 0, nxpk= 0, iat=1728,1772, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end # # 113 GLY H 115 MET H 5.04 &rst ixpk= 0, nxpk= 0, iat=1752,1770, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end # # 114 SER HB3 115 MET H 4.84 &rst ixpk= 0, nxpk= 0, iat=1764,1770, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end # # 115 MET H 115 MET HG3 5.18 &rst ixpk= 0, nxpk= 0, iat=1770,1778, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end # # 115 MET H 115 MET QE 5.25 &rst ixpk= 0, nxpk= 0, iat=1770, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr2=1781,1782,1783, &end # # 115 MET H 116 LYS H 4.67 &rst ixpk= 0, nxpk= 0, iat=1770,1787, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end # # 115 MET HB2 116 LYS H 4.83 &rst ixpk= 0, nxpk= 0, iat=1774,1787, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end # # 115 MET HB3 116 LYS H 4.92 &rst ixpk= 0, nxpk= 0, iat=1775,1787, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end # # 115 MET HG2 115 MET QE 4.16 &rst ixpk= 0, nxpk= 0, iat=1777, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr2=1781,1782,1783, &end # # 116 LYS H 116 LYS HB3 4.02 &rst ixpk= 0, nxpk= 0, iat=1787,1792, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end # # 116 LYS HG3 116 LYS QE 3.79 &rst ixpk= 0, nxpk= 0, iat=1795, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, igr2=1800,1801, &end # # 116 LYS HG2 116 LYS QE 3.77 &rst ixpk= 0, nxpk= 0, iat=1794, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, igr2=1800,1801, &end # # 117 TRP H 117 TRP HE3 5.61 &rst ixpk= 0, nxpk= 0, iat=1809,1828, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end # # 117 TRP H 118 SER H 4.88 &rst ixpk= 0, nxpk= 0, iat=1809,1833, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end # # 117 TRP HE1 120 LYS H 4.93 &rst ixpk= 0, nxpk= 0, iat=1819,1865, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end # # 117 TRP HE1 127 THR QG2 5.27 &rst ixpk= 0, nxpk= 0, iat=1819, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83, igr2=1997,1998,1999, &end # # 117 TRP HE3 118 SER H 4.51 &rst ixpk= 0, nxpk= 0, iat=1828,1833, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end # # 117 TRP HZ2 125 TYR QE 4.10 &rst ixpk= 0, nxpk= 0, iat=1822, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, igr2=1958,1963, &end # # 119 TYR H 119 TYR HB2 4.13 &rst ixpk= 0, nxpk= 0, iat=1844,1848, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end # # 119 TYR H 119 TYR HB3 4.14 &rst ixpk= 0, nxpk= 0, iat=1844,1849, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end # # 119 TYR H 120 LYS H 4.77 &rst ixpk= 0, nxpk= 0, iat=1844,1865, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end # # 119 TYR H 127 THR QG2 5.29 &rst ixpk= 0, nxpk= 0, iat=1844, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85, igr2=1997,1998,1999, &end # # 119 TYR HB3 127 THR QG2 3.80 &rst ixpk= 0, nxpk= 0, iat=1849, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, igr2=1997,1998,1999, &end # # 11 TYR H 11 TYR HB2 4.18 &rst ixpk= 0, nxpk= 0, iat= 143, 147, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end # # 11 TYR H 11 TYR QD 3.79 &rst ixpk= 0, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, igr2= 151, 160, &end # # 11 TYR H 11 TYR QE 5.18 &rst ixpk= 0, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, igr2= 153, 158, &end # # 11 TYR H 12 LEU H 4.64 &rst ixpk= 0, nxpk= 0, iat= 143, 164, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end # # 11 TYR H 12 LEU HA 5.57 &rst ixpk= 0, nxpk= 0, iat= 143, 166, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end # # 11 TYR HA 119 TYR HH 4.94 &rst ixpk= 0, nxpk= 0, iat= 145,1857, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end # # 11 TYR HA 34 SER H 5.55 &rst ixpk= 0, nxpk= 0, iat= 145, 505, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end # # 11 TYR HB2 117 TRP HE1 4.31 &rst ixpk= 0, nxpk= 0, iat= 147,1819, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end # # 11 TYR HB3 117 TRP HE1 4.31 &rst ixpk= 0, nxpk= 0, iat= 148,1819, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end # # 11 TYR HB3 119 TYR QE 4.65 &rst ixpk= 0, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr2=1854,1859, &end # # 11 TYR QD 117 TRP HE1 4.23 &rst ixpk= 0, nxpk= 0, iat= -1,1819, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, igr1= 151, 160, &end # # 11 TYR QD 12 LEU H 4.61 &rst ixpk= 0, nxpk= 0, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, igr1= 151, 160, &end # # 11 TYR QD 35 TYR HA 4.83 &rst ixpk= 0, nxpk= 0, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, igr1= 151, 160, &end # # 11 TYR QE 117 TRP HZ3 4.95 &rst ixpk= 0, nxpk= 0, iat= -1,1826, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1= 153, 158, &end # # 11 TYR QE 36 PRO HG2 4.43 &rst ixpk= 0, nxpk= 0, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr1= 153, 158, &end # # 120 LYS HB3 121 SER H 4.65 &rst ixpk= 0, nxpk= 0, iat=1870,1887, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end # # 121 SER H 122 GLN H 4.82 &rst ixpk= 0, nxpk= 0, iat=1887,1898, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end # # 121 SER H 127 THR H 4.50 &rst ixpk= 0, nxpk= 0, iat=1887,1991, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 121 SER H 129 GLN HE22 5.28 &rst ixpk= 0, nxpk= 0, iat=1887,2039, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end # # 121 SER HB3 122 GLN H 4.63 &rst ixpk= 0, nxpk= 0, iat=1892,1898, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end # # 122 GLN H 122 GLN HG2 4.83 &rst ixpk= 0, nxpk= 0, iat=1898,1905, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end # # 122 GLN H 122 GLN QB 4.19 &rst ixpk= 0, nxpk= 0, iat=1898, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, igr2=1902,1903, &end # # 122 GLN H 123 LEU H 4.77 &rst ixpk= 0, nxpk= 0, iat=1898,1915, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end # # 122 GLN H 125 TYR H 4.11 &rst ixpk= 0, nxpk= 0, iat=1898,1948, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end # # 122 GLN H 125 TYR QD 3.72 &rst ixpk= 0, nxpk= 0, iat=1898, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, igr2=1956,1965, &end # # 122 GLN H 127 THR H 5.28 &rst ixpk= 0, nxpk= 0, iat=1898,1991, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end # # 122 GLN HE21 125 TYR QE 4.41 &rst ixpk= 0, nxpk= 0, iat=1911, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr2=1958,1963, &end # # 122 GLN HG2 125 TYR QD 5.09 &rst ixpk= 0, nxpk= 0, iat=1905, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, igr2=1956,1965, &end # # 122 GLN HG3 125 TYR QD 4.43 &rst ixpk= 0, nxpk= 0, iat=1906, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr2=1956,1965, &end # # 122 GLN QB 122 GLN HE21 4.71 &rst ixpk= 0, nxpk= 0, iat= -1,1911, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, igr1=1902,1903, &end # # 123 LEU HA 125 TYR H 5.36 &rst ixpk= 0, nxpk= 0, iat=1917,1948, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end # # 123 LEU HB2 123 LEU QD2 3.48 &rst ixpk= 0, nxpk= 0, iat=1919, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, igr2=1928,1929,1930, &end # # 125 TYR QD 127 THR H 5.58 &rst ixpk= 0, nxpk= 0, iat= -1,1991, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76, igr1=1956,1965, &end # # 125 TYR QD 127 THR QG2 3.95 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, igr1=1956,1965, igr2=1997,1998,1999, &end # # 126 LYS H 126 LYS HB2 4.17 &rst ixpk= 0, nxpk= 0, iat=1969,1973, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end # # 126 LYS QD 126 LYS QE 2.88 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, igr1=1979,1980, igr2=1982,1983, &end # # 128 LYS HG2 128 LYS QE 4.18 &rst ixpk= 0, nxpk= 0, iat=2012, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, igr2=2018,2019, &end # # 129 GLN H 129 GLN HG2 5.03 &rst ixpk= 0, nxpk= 0, iat=2027,2034, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end # # 129 GLN H 130 LEU H 4.92 &rst ixpk= 0, nxpk= 0, iat=2027,2044, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end # # 129 GLN HB3 129 GLN HE21 4.89 &rst ixpk= 0, nxpk= 0, iat=2032,2040, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end # # 129 GLN HB2 129 GLN HE22 5.09 &rst ixpk= 0, nxpk= 0, iat=2031,2039, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end # # 129 GLN HG2 130 LEU H 4.23 &rst ixpk= 0, nxpk= 0, iat=2034,2044, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end # # 129 GLN HG3 130 LEU H 4.87 &rst ixpk= 0, nxpk= 0, iat=2035,2044, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end # # 12 LEU H 12 LEU HB2 3.88 &rst ixpk= 0, nxpk= 0, iat= 164, 168, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end # # 12 LEU H 12 LEU HG 3.93 &rst ixpk= 0, nxpk= 0, iat= 164, 171, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end # # 12 LEU H 12 LEU QD1 4.55 &rst ixpk= 0, nxpk= 0, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, igr2= 173, 174, 175, &end # # 12 LEU H 12 LEU QD2 4.10 &rst ixpk= 0, nxpk= 0, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr2= 177, 178, 179, &end # # 12 LEU H 13 LEU H 4.81 &rst ixpk= 0, nxpk= 0, iat= 164, 183, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end # # 12 LEU H 34 SER H 3.97 &rst ixpk= 0, nxpk= 0, iat= 164, 505, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end # # 12 LEU HA 12 LEU HG 4.13 &rst ixpk= 0, nxpk= 0, iat= 166, 171, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end # # 12 LEU HA 12 LEU QD1 4.13 &rst ixpk= 0, nxpk= 0, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, igr2= 173, 174, 175, &end # # 12 LEU HA 12 LEU QD2 2.99 &rst ixpk= 0, nxpk= 0, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, igr2= 177, 178, 179, &end # # 12 LEU HA 34 SER QB 4.97 &rst ixpk= 0, nxpk= 0, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr2= 509, 510, &end # # 12 LEU HB2 12 LEU QD2 3.50 &rst ixpk= 0, nxpk= 0, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2= 177, 178, 179, &end # # 12 LEU HB2 34 SER H 4.25 &rst ixpk= 0, nxpk= 0, iat= 168, 505, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end # # 12 LEU HB3 12 LEU QD2 3.37 &rst ixpk= 0, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, igr2= 177, 178, 179, &end # # 12 LEU HB3 34 SER H 5.02 &rst ixpk= 0, nxpk= 0, iat= 169, 505, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end # # 12 LEU HG 13 LEU H 5.78 &rst ixpk= 0, nxpk= 0, iat= 171, 183, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end # # 12 LEU QD1 13 LEU H 4.74 &rst ixpk= 0, nxpk= 0, iat= -1, 183, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, igr1= 173, 174, 175, &end # # 12 LEU QD1 34 SER QB 3.95 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, igr1= 173, 174, 175, igr2= 509, 510, &end # # 12 LEU QD2 14 GLN HE22 5.15 &rst ixpk= 0, nxpk= 0, iat= -1, 214, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68, igr1= 177, 178, 179, &end # # 12 LEU QD2 34 SER QB 4.91 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, igr1= 177, 178, 179, igr2= 509, 510, &end # # 130 LEU H 130 LEU HB2 3.79 &rst ixpk= 0, nxpk= 0, iat=2044,2048, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end # # 130 LEU H 130 LEU HB3 3.92 &rst ixpk= 0, nxpk= 0, iat=2044,2049, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end # # 130 LEU H 130 LEU HG 4.38 &rst ixpk= 0, nxpk= 0, iat=2044,2051, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end # # 130 LEU H 130 LEU QD1 4.70 &rst ixpk= 0, nxpk= 0, iat=2044, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, igr2=2053,2054,2055, &end # # 130 LEU H 130 LEU QD2 4.72 &rst ixpk= 0, nxpk= 0, iat=2044, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr2=2057,2058,2059, &end # # 130 LEU H 131 SER H 4.85 &rst ixpk= 0, nxpk= 0, iat=2044,2063, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end # # 130 LEU HA 130 LEU QD2 4.53 &rst ixpk= 0, nxpk= 0, iat=2046, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, igr2=2057,2058,2059, &end # # 130 LEU HB2 130 LEU QD2 3.73 &rst ixpk= 0, nxpk= 0, iat=2048, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, igr2=2057,2058,2059, &end # # 130 LEU HB2 132 VAL QG2 5.13 &rst ixpk= 0, nxpk= 0, iat=2048, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, igr2=2084,2085,2086, &end # # 130 LEU HB3 130 LEU QD2 3.73 &rst ixpk= 0, nxpk= 0, iat=2049, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, igr2=2057,2058,2059, &end # # 130 LEU QD1 131 SER H 3.36 &rst ixpk= 0, nxpk= 0, iat= -1,2063, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, igr1=2053,2054,2055, &end # # 130 LEU QD2 131 SER H 5.07 &rst ixpk= 0, nxpk= 0, iat= -1,2063, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, igr1=2057,2058,2059, &end # # 131 SER H 132 VAL QG2 4.89 &rst ixpk= 0, nxpk= 0, iat=2063, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, igr2=2084,2085,2086, &end # # 131 SER HB3 132 VAL H 4.58 &rst ixpk= 0, nxpk= 0, iat=2068,2074, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end # # 132 VAL H 132 VAL QG1 4.09 &rst ixpk= 0, nxpk= 0, iat=2074, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, igr2=2080,2081,2082, &end # # 132 VAL H 132 VAL QG2 3.63 &rst ixpk= 0, nxpk= 0, iat=2074, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, igr2=2084,2085,2086, &end # # 133 PHE H 133 PHE HB3 4.17 &rst ixpk= 0, nxpk= 0, iat=2090,2095, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end # # 133 PHE H 134 VAL H 4.72 &rst ixpk= 0, nxpk= 0, iat=2090,2110, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end # # 133 PHE HA 133 PHE QD 3.50 &rst ixpk= 0, nxpk= 0, iat=2092, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=2098,2106, &end # # 133 PHE HB3 134 VAL H 4.01 &rst ixpk= 0, nxpk= 0, iat=2095,2110, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end # # 133 PHE HB2 134 VAL H 4.44 &rst ixpk= 0, nxpk= 0, iat=2094,2110, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end # # 133 PHE QD 134 VAL H 4.54 &rst ixpk= 0, nxpk= 0, iat= -1,2110, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, igr1=2098,2106, &end # # 134 VAL H 134 VAL QG2 3.61 &rst ixpk= 0, nxpk= 0, iat=2110, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, igr2=2120,2121,2122, &end # # 134 VAL H 135 THR H 4.70 &rst ixpk= 0, nxpk= 0, iat=2110,2126, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 134 VAL HA 134 VAL QG1 3.15 &rst ixpk= 0, nxpk= 0, iat=2112, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, igr2=2116,2117,2118, &end # # 134 VAL HA 135 THR HA 4.81 &rst ixpk= 0, nxpk= 0, iat=2112,2128, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end # # 134 VAL HB 135 THR H 4.49 &rst ixpk= 0, nxpk= 0, iat=2114,2126, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end # # 134 VAL QG1 135 THR H 3.37 &rst ixpk= 0, nxpk= 0, iat= -1,2126, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, igr1=2116,2117,2118, &end # # 134 VAL QG1 136 ALA QB 5.01 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73, igr1=2116,2117,2118, igr2=2144,2145,2146, &end # # 134 VAL QG2 135 THR H 4.21 &rst ixpk= 0, nxpk= 0, iat= -1,2126, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr1=2120,2121,2122, &end # # 135 THR H 135 THR HB 3.84 &rst ixpk= 0, nxpk= 0, iat=2126,2130, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end # # 135 THR H 135 THR QG2 4.14 &rst ixpk= 0, nxpk= 0, iat=2126, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr2=2132,2133,2134, &end # # 137 LEU HA 137 LEU HG 4.11 &rst ixpk= 0, nxpk= 0, iat=2152,2157, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end # # 138 THR HA 138 THR QG2 3.53 &rst ixpk= 0, nxpk= 0, iat=2171, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr2=2175,2176,2177, &end # # 13 LEU H 13 LEU QD1 5.15 &rst ixpk= 0, nxpk= 0, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68, igr2= 192, 193, 194, &end # # 13 LEU H 13 LEU QD2 4.50 &rst ixpk= 0, nxpk= 0, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 196, 197, 198, &end # # 13 LEU H 34 SER H 4.93 &rst ixpk= 0, nxpk= 0, iat= 183, 505, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end # # 13 LEU HA 13 LEU QD2 4.43 &rst ixpk= 0, nxpk= 0, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, igr2= 196, 197, 198, &end # # 13 LEU HB3 13 LEU QD1 3.97 &rst ixpk= 0, nxpk= 0, iat= 188, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr2= 192, 193, 194, &end # # 13 LEU HG 14 GLN H 3.82 &rst ixpk= 0, nxpk= 0, iat= 190, 202, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end # # 13 LEU HG 33 PHE HA 4.73 &rst ixpk= 0, nxpk= 0, iat= 190, 487, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end # # 13 LEU QD1 108 PHE H 4.36 &rst ixpk= 0, nxpk= 0, iat= -1,1650, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, igr1= 192, 193, 194, &end # # 13 LEU QD1 119 TYR H 5.61 &rst ixpk= 0, nxpk= 0, iat= -1,1844, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1= 192, 193, 194, &end # # 13 LEU QD1 14 GLN H 3.85 &rst ixpk= 0, nxpk= 0, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, igr1= 192, 193, 194, &end # # 13 LEU QD1 15 VAL QG1 3.95 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr1= 192, 193, 194, igr2= 225, 226, 227, &end # # 13 LEU QD1 33 PHE HA 4.02 &rst ixpk= 0, nxpk= 0, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr1= 192, 193, 194, &end # # 13 LEU QD2 15 VAL H 4.30 &rst ixpk= 0, nxpk= 0, iat= -1, 219, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr1= 196, 197, 198, &end # # 13 LEU QD2 50 TRP HH2 4.77 &rst ixpk= 0, nxpk= 0, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, igr1= 196, 197, 198, &end # # 141 SER HA 141 SER QB 3.00 &rst ixpk= 0, nxpk= 0, iat=2209, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, igr2=2211,2212, &end # # 143 VAL H 143 VAL HB 4.07 &rst ixpk= 0, nxpk= 0, iat=2237,2241, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end # # 143 VAL HA 143 VAL QG1 3.54 &rst ixpk= 0, nxpk= 0, iat=2239, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, igr2=2243,2244,2245, &end # # 143 VAL HA 143 VAL QG2 3.52 &rst ixpk= 0, nxpk= 0, iat=2239, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, igr2=2247,2248,2249, &end # # 143 VAL HA 144 PRO HD3 2.98 &rst ixpk= 0, nxpk= 0, iat=2239,2255, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end # # 143 VAL HA 144 PRO HD2 3.12 &rst ixpk= 0, nxpk= 0, iat=2239,2254, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end # # 143 VAL HA 144 PRO HG2 5.09 &rst ixpk= 0, nxpk= 0, iat=2239,2257, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end # # 143 VAL HB 144 PRO HD2 5.00 &rst ixpk= 0, nxpk= 0, iat=2241,2254, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 143 VAL QG1 144 PRO HD2 3.93 &rst ixpk= 0, nxpk= 0, iat= -1,2254, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=2243,2244,2245, &end # # 144 PRO HA 145 ARG QG 4.76 &rst ixpk= 0, nxpk= 0, iat=2263, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr2=2274,2275, &end # # 14 GLN H 15 VAL H 4.27 &rst ixpk= 0, nxpk= 0, iat= 202, 219, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end # # 14 GLN H 15 VAL HB 5.48 &rst ixpk= 0, nxpk= 0, iat= 202, 223, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end # # 14 GLN H 15 VAL QG1 5.09 &rst ixpk= 0, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, igr2= 225, 226, 227, &end # # 14 GLN HG3 15 VAL H 4.91 &rst ixpk= 0, nxpk= 0, iat= 210, 219, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end # # 15 VAL H 15 VAL QG2 4.35 &rst ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr2= 229, 230, 231, &end # # 15 VAL HA 15 VAL QG1 3.69 &rst ixpk= 0, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, igr2= 225, 226, 227, &end # # 15 VAL HA 31 CYX HA 3.54 &rst ixpk= 0, nxpk= 0, iat= 221, 466, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 15 VAL HB 31 CYX HA 4.78 &rst ixpk= 0, nxpk= 0, iat= 223, 466, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end # # 15 VAL QG1 130 LEU QD2 4.70 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28, igr1= 225, 226, 227, igr2=2057,2058,2059, &end # # 15 VAL QG1 17 GLU H 4.75 &rst ixpk= 0, nxpk= 0, iat= -1, 252, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr1= 225, 226, 227, &end # # 15 VAL QG1 50 TRP HH2 4.06 &rst ixpk= 0, nxpk= 0, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, igr1= 225, 226, 227, &end # # 15 VAL QG2 16 GLN H 3.44 &rst ixpk= 0, nxpk= 0, iat= -1, 235, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, igr1= 229, 230, 231, &end # # 16 GLN H 29 VAL QG1 3.98 &rst ixpk= 0, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, igr2= 440, 441, 442, &end # # 16 GLN H 31 CYX HB2 4.98 &rst ixpk= 0, nxpk= 0, iat= 235, 468, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end # # 16 GLN HA 17 GLU QG 4.72 &rst ixpk= 0, nxpk= 0, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr2= 259, 260, &end # # 16 GLN HA 18 LEU H 3.98 &rst ixpk= 0, nxpk= 0, iat= 237, 267, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end # # 16 GLN HB3 18 LEU H 4.05 &rst ixpk= 0, nxpk= 0, iat= 240, 267, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end # # 16 GLN HB2 16 GLN HE21 4.47 &rst ixpk= 0, nxpk= 0, iat= 239, 248, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end # # 16 GLN HE21 130 LEU QD1 5.41 &rst ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2=2053,2054,2055, &end # # 16 GLN HE21 19 VAL HB 4.95 &rst ixpk= 0, nxpk= 0, iat= 248, 290, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end # # 16 GLN HE21 19 VAL QG2 3.79 &rst ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, igr2= 296, 297, 298, &end # # 16 GLN HE22 19 VAL HA 3.92 &rst ixpk= 0, nxpk= 0, iat= 247, 288, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end # # 16 GLN HE22 19 VAL HB 5.08 &rst ixpk= 0, nxpk= 0, iat= 247, 290, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end # # 16 GLN HE22 19 VAL QG1 4.27 &rst ixpk= 0, nxpk= 0, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr2= 292, 293, 294, &end # # 16 GLN HE22 19 VAL QG2 3.84 &rst ixpk= 0, nxpk= 0, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, igr2= 296, 297, 298, &end # # 16 GLN QG 130 LEU QD1 4.91 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, igr1= 242, 243, igr2=2053,2054,2055, &end # # 16 GLN QG 16 GLN HE21 3.24 &rst ixpk= 0, nxpk= 0, iat= -1, 248, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, igr1= 242, 243, &end # # 16 GLN QG 16 GLN HE22 3.72 &rst ixpk= 0, nxpk= 0, iat= -1, 247, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, igr1= 242, 243, &end # # 17 GLU H 130 LEU HA 5.43 &rst ixpk= 0, nxpk= 0, iat= 252,2046, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end # # 17 GLU H 17 GLU HB3 3.91 &rst ixpk= 0, nxpk= 0, iat= 252, 257, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end # # 17 GLU H 18 LEU H 3.28 &rst ixpk= 0, nxpk= 0, iat= 252, 267, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end # # 17 GLU QG 18 LEU H 4.69 &rst ixpk= 0, nxpk= 0, iat= -1, 267, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, igr1= 259, 260, &end # # 18 LEU H 18 LEU HB2 3.92 &rst ixpk= 0, nxpk= 0, iat= 267, 271, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end # # 18 LEU H 18 LEU QD1 4.68 &rst ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, igr2= 276, 277, 278, &end # # 18 LEU H 19 VAL H 4.57 &rst ixpk= 0, nxpk= 0, iat= 267, 286, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end # # 18 LEU HA 130 LEU HA 4.85 &rst ixpk= 0, nxpk= 0, iat= 269,2046, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end # # 18 LEU HA 131 SER H 3.91 &rst ixpk= 0, nxpk= 0, iat= 269,2063, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end # # 18 LEU HA 133 PHE QE 5.13 &rst ixpk= 0, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, igr2=2100,2104, &end # # 18 LEU HA 18 LEU HG 3.80 &rst ixpk= 0, nxpk= 0, iat= 269, 274, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end # # 18 LEU HA 18 LEU QD1 2.94 &rst ixpk= 0, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2= 276, 277, 278, &end # # 18 LEU HA 19 VAL QG1 5.80 &rst ixpk= 0, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, igr2= 292, 293, 294, &end # # 18 LEU HB3 18 LEU QD1 3.55 &rst ixpk= 0, nxpk= 0, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, igr2= 276, 277, 278, &end # # 18 LEU HB2 18 LEU QD2 3.81 &rst ixpk= 0, nxpk= 0, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr2= 280, 281, 282, &end # # 18 LEU HB2 19 VAL H 4.44 &rst ixpk= 0, nxpk= 0, iat= 271, 286, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end # # 18 LEU HG 19 VAL H 4.05 &rst ixpk= 0, nxpk= 0, iat= 274, 286, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end # # 18 LEU QD1 131 SER HB3 3.61 &rst ixpk= 0, nxpk= 0, iat= -1,2068, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, igr1= 276, 277, 278, &end # # 18 LEU QD1 132 VAL HA 4.54 &rst ixpk= 0, nxpk= 0, iat= -1,2076, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, igr1= 276, 277, 278, &end # # 18 LEU QD1 133 PHE H 4.36 &rst ixpk= 0, nxpk= 0, iat= -1,2090, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, igr1= 276, 277, 278, &end # # 18 LEU QD1 133 PHE HB3 4.73 &rst ixpk= 0, nxpk= 0, iat= -1,2095, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr1= 276, 277, 278, &end # # 18 LEU QD1 133 PHE QD 3.41 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, igr1= 276, 277, 278, igr2=2098,2106, &end # # 18 LEU QD1 20 THR HB 5.35 &rst ixpk= 0, nxpk= 0, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93, igr1= 276, 277, 278, &end # # 19 VAL H 131 SER H 4.34 &rst ixpk= 0, nxpk= 0, iat= 286,2063, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end # # 19 VAL H 131 SER HB3 4.37 &rst ixpk= 0, nxpk= 0, iat= 286,2068, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end # # 19 VAL H 131 SER HB2 5.08 &rst ixpk= 0, nxpk= 0, iat= 286,2067, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end # # 19 VAL H 133 PHE H 4.79 &rst ixpk= 0, nxpk= 0, iat= 286,2090, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end # # 19 VAL H 19 VAL HB 3.59 &rst ixpk= 0, nxpk= 0, iat= 286, 290, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end # # 19 VAL H 19 VAL QG1 3.97 &rst ixpk= 0, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr2= 292, 293, 294, &end # # 19 VAL H 19 VAL QG2 3.63 &rst ixpk= 0, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, igr2= 296, 297, 298, &end # # 19 VAL H 20 THR H 4.85 &rst ixpk= 0, nxpk= 0, iat= 286, 302, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end # # 19 VAL HA 20 THR HB 5.28 &rst ixpk= 0, nxpk= 0, iat= 288, 306, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end # # 19 VAL HB 130 LEU QD1 3.58 &rst ixpk= 0, nxpk= 0, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, igr2=2053,2054,2055, &end # # 19 VAL HB 130 LEU QD2 4.44 &rst ixpk= 0, nxpk= 0, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, igr2=2057,2058,2059, &end # # 19 VAL HB 20 THR H 4.54 &rst ixpk= 0, nxpk= 0, iat= 290, 302, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end # # 19 VAL HB 95 ILE QD1 5.56 &rst ixpk= 0, nxpk= 0, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18, igr2=1435,1436,1437, &end # # 19 VAL QG1 130 LEU QD2 4.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1= 292, 293, 294, igr2=2057,2058,2059, &end # # 19 VAL QG1 20 THR H 3.30 &rst ixpk= 0, nxpk= 0, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr1= 292, 293, 294, &end # # 19 VAL QG1 20 THR HA 3.83 &rst ixpk= 0, nxpk= 0, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, igr1= 292, 293, 294, &end # # 19 VAL QG2 133 PHE H 5.55 &rst ixpk= 0, nxpk= 0, iat= -1,2090, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17, igr1= 296, 297, 298, &end # # 19 VAL QG2 20 THR H 3.78 &rst ixpk= 0, nxpk= 0, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, igr1= 296, 297, 298, &end # # 20 THR H 133 PHE H 4.83 &rst ixpk= 0, nxpk= 0, iat= 302,2090, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end # # 20 THR HA 133 PHE H 3.72 &rst ixpk= 0, nxpk= 0, iat= 304,2090, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end # # 20 THR HA 133 PHE QD 4.44 &rst ixpk= 0, nxpk= 0, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, igr2=2098,2106, &end # # 20 THR HA 20 THR QG2 3.09 &rst ixpk= 0, nxpk= 0, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, igr2= 308, 309, 310, &end # # 20 THR HA 21 VAL HA 4.79 &rst ixpk= 0, nxpk= 0, iat= 304, 318, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end # # 20 THR HB 21 VAL H 4.12 &rst ixpk= 0, nxpk= 0, iat= 306, 316, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end # # 20 THR QG2 133 PHE QD 3.77 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr1= 308, 309, 310, igr2=2098,2106, &end # # 21 VAL H 133 PHE H 4.26 &rst ixpk= 0, nxpk= 0, iat= 316,2090, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end # # 21 VAL H 133 PHE HB3 4.46 &rst ixpk= 0, nxpk= 0, iat= 316,2095, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end # # 21 VAL H 133 PHE HB2 4.18 &rst ixpk= 0, nxpk= 0, iat= 316,2094, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end # # 21 VAL H 134 VAL HA 3.78 &rst ixpk= 0, nxpk= 0, iat= 316,2112, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end # # 21 VAL H 21 VAL HB 3.89 &rst ixpk= 0, nxpk= 0, iat= 316, 320, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end # # 21 VAL H 22 GLN H 4.73 &rst ixpk= 0, nxpk= 0, iat= 316, 332, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end # # 21 VAL HA 22 GLN QB 5.08 &rst ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr2= 336, 337, &end # # 21 VAL HA 27 VAL HB 5.42 &rst ixpk= 0, nxpk= 0, iat= 318, 405, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end # # 21 VAL QG1 22 GLN H 3.75 &rst ixpk= 0, nxpk= 0, iat= -1, 332, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr1= 322, 323, 324, &end # # 21 VAL QG1 98 ALA H 4.27 &rst ixpk= 0, nxpk= 0, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr1= 322, 323, 324, &end # # 21 VAL QG2 22 GLN H 3.25 &rst ixpk= 0, nxpk= 0, iat= -1, 332, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, igr1= 326, 327, 328, &end # # 21 VAL QG2 25 LEU H 4.99 &rst ixpk= 0, nxpk= 0, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1= 326, 327, 328, &end # # 21 VAL QG2 26 SER H 4.61 &rst ixpk= 0, nxpk= 0, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr1= 326, 327, 328, &end # # 21 VAL QG2 26 SER HA 4.87 &rst ixpk= 0, nxpk= 0, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, igr1= 326, 327, 328, &end # # 21 VAL QG2 98 ALA QB 3.81 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, igr1= 326, 327, 328, igr2=1481,1482,1483, &end # # 22 GLN H 142 LEU HB3 5.00 &rst ixpk= 0, nxpk= 0, iat= 332,2223, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 22 GLN H 142 LEU QD1 4.42 &rst ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, igr2=2227,2228,2229, &end # # 22 GLN H 22 GLN HG2 4.12 &rst ixpk= 0, nxpk= 0, iat= 332, 339, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end # # 22 GLN H 22 GLN HG3 3.88 &rst ixpk= 0, nxpk= 0, iat= 332, 340, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end # # 22 GLN H 23 GLU H 4.99 &rst ixpk= 0, nxpk= 0, iat= 332, 349, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end # # 22 GLN H 25 LEU QD1 3.82 &rst ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, igr2= 380, 381, 382, &end # # 22 GLN H 25 LEU QD2 4.06 &rst ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, igr2= 384, 385, 386, &end # # 22 GLN HA 22 GLN HG2 4.08 &rst ixpk= 0, nxpk= 0, iat= 334, 339, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end # # 22 GLN HA 22 GLN HG3 3.96 &rst ixpk= 0, nxpk= 0, iat= 334, 340, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end # # 22 GLN HA 25 LEU QD1 6.00 &rst ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr2= 380, 381, 382, &end # # 22 GLN HE21 137 LEU HA 4.46 &rst ixpk= 0, nxpk= 0, iat= 345,2152, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end # # 22 GLN HE21 25 LEU QD1 4.78 &rst ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, igr2= 380, 381, 382, &end # # 22 GLN HE22 25 LEU QD1 5.12 &rst ixpk= 0, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, igr2= 380, 381, 382, &end # # 22 GLN HG2 23 GLU H 5.00 &rst ixpk= 0, nxpk= 0, iat= 339, 349, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 22 GLN HG2 25 LEU QD1 4.80 &rst ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, igr2= 380, 381, 382, &end # # 22 GLN HG3 25 LEU QD1 4.50 &rst ixpk= 0, nxpk= 0, iat= 340, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 380, 381, 382, &end # # 22 GLN QB 137 LEU QD2 3.91 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, igr1= 336, 337, igr2=2163,2164,2165, &end # # 22 GLN QB 22 GLN HE22 4.47 &rst ixpk= 0, nxpk= 0, iat= -1, 344, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, igr1= 336, 337, &end # # 22 GLN QB 25 LEU HG 4.36 &rst ixpk= 0, nxpk= 0, iat= -1, 378, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, igr1= 336, 337, &end # # 23 GLU H 134 VAL QG1 3.75 &rst ixpk= 0, nxpk= 0, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr2=2116,2117,2118, &end # # 23 GLU H 23 GLU HB2 3.54 &rst ixpk= 0, nxpk= 0, iat= 349, 353, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 23 GLU H 23 GLU HG3 5.12 &rst ixpk= 0, nxpk= 0, iat= 349, 357, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end # # 23 GLU H 24 GLY H 4.87 &rst ixpk= 0, nxpk= 0, iat= 349, 364, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end # # 23 GLU HA 134 VAL HA 5.35 &rst ixpk= 0, nxpk= 0, iat= 351,2112, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end # # 23 GLU HA 98 ALA H 5.20 &rst ixpk= 0, nxpk= 0, iat= 351,1477, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 23 GLU HB2 24 GLY H 4.70 &rst ixpk= 0, nxpk= 0, iat= 353, 364, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 23 GLU HB2 98 ALA QB 5.39 &rst ixpk= 0, nxpk= 0, iat= 353, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, igr2=1481,1482,1483, &end # # 23 GLU HB3 24 GLY H 4.82 &rst ixpk= 0, nxpk= 0, iat= 354, 364, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end # # 23 GLU HG3 134 VAL QG1 4.40 &rst ixpk= 0, nxpk= 0, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr2=2116,2117,2118, &end # # 23 GLU HG2 24 GLY H 4.31 &rst ixpk= 0, nxpk= 0, iat= 356, 364, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end # # 24 GLY H 134 VAL QG1 4.67 &rst ixpk= 0, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2=2116,2117,2118, &end # # 24 GLY H 25 LEU H 3.75 &rst ixpk= 0, nxpk= 0, iat= 364, 371, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end # # 24 GLY H 98 ALA H 4.24 &rst ixpk= 0, nxpk= 0, iat= 364,1477, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end # # 24 GLY H 98 ALA QB 4.11 &rst ixpk= 0, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, igr2=1481,1482,1483, &end # # 24 GLY H 99 ARG HG3 5.26 &rst ixpk= 0, nxpk= 0, iat= 364,1495, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end # # 25 LEU H 25 LEU HB2 4.19 &rst ixpk= 0, nxpk= 0, iat= 371, 375, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end # # 25 LEU H 25 LEU HG 4.50 &rst ixpk= 0, nxpk= 0, iat= 371, 378, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 25 LEU H 25 LEU QD1 6.00 &rst ixpk= 0, nxpk= 0, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr2= 380, 381, 382, &end # # 25 LEU H 25 LEU QD2 3.44 &rst ixpk= 0, nxpk= 0, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, igr2= 384, 385, 386, &end # # 25 LEU H 26 SER H 4.68 &rst ixpk= 0, nxpk= 0, iat= 371, 390, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end # # 25 LEU H 98 ALA QB 4.11 &rst ixpk= 0, nxpk= 0, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, igr2=1481,1482,1483, &end # # 25 LEU HB3 26 SER H 3.66 &rst ixpk= 0, nxpk= 0, iat= 376, 390, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end # # 25 LEU HG 26 SER H 4.21 &rst ixpk= 0, nxpk= 0, iat= 378, 390, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end # # 25 LEU QD2 26 SER H 3.41 &rst ixpk= 0, nxpk= 0, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, igr1= 384, 385, 386, &end # # 26 SER H 27 VAL H 4.97 &rst ixpk= 0, nxpk= 0, iat= 390, 401, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end # # 26 SER HA 27 VAL HB 4.91 &rst ixpk= 0, nxpk= 0, iat= 392, 405, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end # # 26 SER HA 27 VAL QG1 4.47 &rst ixpk= 0, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr2= 407, 408, 409, &end # # 26 SER HA 95 ILE H 5.45 &rst ixpk= 0, nxpk= 0, iat= 392,1422, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end # # 26 SER HA 95 ILE QG2 4.41 &rst ixpk= 0, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr2=1428,1429,1430, &end # # 26 SER HA 96 ARG HA 3.30 &rst ixpk= 0, nxpk= 0, iat= 392,1443, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 26 SER HA 97 ASP H 3.92 &rst ixpk= 0, nxpk= 0, iat= 392,1465, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end # # 26 SER HA 98 ALA H 4.10 &rst ixpk= 0, nxpk= 0, iat= 392,1477, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 26 SER HB3 96 ARG HA 3.47 &rst ixpk= 0, nxpk= 0, iat= 395,1443, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end # # 26 SER HB2 96 ARG HA 4.16 &rst ixpk= 0, nxpk= 0, iat= 394,1443, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end # # 26 SER HB2 97 ASP H 4.81 &rst ixpk= 0, nxpk= 0, iat= 394,1465, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end # # 27 VAL H 27 VAL HB 3.95 &rst ixpk= 0, nxpk= 0, iat= 401, 405, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end # # 27 VAL H 27 VAL QG1 3.27 &rst ixpk= 0, nxpk= 0, iat= 401, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 407, 408, 409, &end # # 27 VAL H 94 SER QB 5.65 &rst ixpk= 0, nxpk= 0, iat= 401, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84, igr2=1415,1416, &end # # 27 VAL H 95 ILE H 3.77 &rst ixpk= 0, nxpk= 0, iat= 401,1422, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end # # 27 VAL H 95 ILE QD1 4.73 &rst ixpk= 0, nxpk= 0, iat= 401, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr2=1435,1436,1437, &end # # 27 VAL H 95 ILE QG2 4.33 &rst ixpk= 0, nxpk= 0, iat= 401, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, igr2=1428,1429,1430, &end # # 27 VAL H 96 ARG HA 4.12 &rst ixpk= 0, nxpk= 0, iat= 401,1443, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end # # 27 VAL H 97 ASP H 5.49 &rst ixpk= 0, nxpk= 0, iat= 401,1465, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end # # 27 VAL H 98 ALA QB 4.95 &rst ixpk= 0, nxpk= 0, iat= 401, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr2=1481,1482,1483, &end # # 27 VAL HB 95 ILE QG2 5.39 &rst ixpk= 0, nxpk= 0, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, igr2=1428,1429,1430, &end # # 27 VAL QG1 28 HIS H 4.63 &rst ixpk= 0, nxpk= 0, iat= -1, 417, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1= 407, 408, 409, &end # # 27 VAL QG1 95 ILE HG12 5.22 &rst ixpk= 0, nxpk= 0, iat= -1,1432, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, igr1= 407, 408, 409, &end # # 27 VAL QG2 28 HIS H 3.20 &rst ixpk= 0, nxpk= 0, iat= -1, 417, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, igr1= 411, 412, 413, &end # # 27 VAL QG2 28 HIS QB 4.76 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92, igr1= 411, 412, 413, igr2= 421, 422, &end # # 27 VAL QG2 29 VAL QG2 3.10 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr1= 411, 412, 413, igr2= 444, 445, 446, &end # # 27 VAL QG2 95 ILE H 4.44 &rst ixpk= 0, nxpk= 0, iat= -1,1422, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, igr1= 411, 412, 413, &end # # 27 VAL QG2 95 ILE QG2 5.38 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26, igr1= 411, 412, 413, igr2=1428,1429,1430, &end # # 28 HIS H 28 HIS HD2 5.40 &rst ixpk= 0, nxpk= 0, iat= 417, 430, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 28 HIS H 29 VAL H 4.75 &rst ixpk= 0, nxpk= 0, iat= 417, 434, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end # # 28 HIS H 29 VAL QG2 5.32 &rst ixpk= 0, nxpk= 0, iat= 417, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89, igr2= 444, 445, 446, &end # # 28 HIS HD2 30 PRO HG3 5.79 &rst ixpk= 0, nxpk= 0, iat= 430, 455, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end # # 28 HIS HD2 83 LEU H 5.80 &rst ixpk= 0, nxpk= 0, iat= 430,1253, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 28 HIS HD2 92 SER HB2 5.53 &rst ixpk= 0, nxpk= 0, iat= 430,1385, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end # # 28 HIS HD2 94 SER HA 4.51 &rst ixpk= 0, nxpk= 0, iat= 430,1413, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end # # 28 HIS HE1 30 PRO HA 4.81 &rst ixpk= 0, nxpk= 0, iat= 426, 460, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end # # 28 HIS HE1 30 PRO HG3 4.74 &rst ixpk= 0, nxpk= 0, iat= 426, 455, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end # # 28 HIS QB 28 HIS HD2 3.65 &rst ixpk= 0, nxpk= 0, iat= -1, 430, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, igr1= 421, 422, &end # # 28 HIS QB 29 VAL H 4.16 &rst ixpk= 0, nxpk= 0, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, igr1= 421, 422, &end # # 29 VAL H 29 VAL QG2 3.38 &rst ixpk= 0, nxpk= 0, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, igr2= 444, 445, 446, &end # # 29 VAL H 83 LEU QD1 4.78 &rst ixpk= 0, nxpk= 0, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, igr2=1262,1263,1264, &end # # 29 VAL H 93 LEU H 4.16 &rst ixpk= 0, nxpk= 0, iat= 434,1392, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end # # 29 VAL HB 93 LEU QD2 4.46 &rst ixpk= 0, nxpk= 0, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, igr2=1405,1406,1407, &end # # 29 VAL QG1 31 CYX HA 5.17 &rst ixpk= 0, nxpk= 0, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71, igr1= 440, 441, 442, &end # # 29 VAL QG1 50 TRP HZ2 4.92 &rst ixpk= 0, nxpk= 0, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, igr1= 440, 441, 442, &end # # 29 VAL QG1 93 LEU H 4.05 &rst ixpk= 0, nxpk= 0, iat= -1,1392, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, igr1= 440, 441, 442, &end # # 29 VAL QG2 30 PRO HD3 5.00 &rst ixpk= 0, nxpk= 0, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 444, 445, 446, &end # # 29 VAL QG2 93 LEU H 4.54 &rst ixpk= 0, nxpk= 0, iat= -1,1392, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, igr1= 444, 445, 446, &end # # 29 VAL QG2 93 LEU QD1 5.11 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87, igr1= 444, 445, 446, igr2=1401,1402,1403, &end # # 29 VAL QG2 93 LEU QD2 3.82 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, igr1= 444, 445, 446, igr2=1405,1406,1407, &end # # 2 GLU HA 2 GLU QG 3.87 &rst ixpk= 0, nxpk= 0, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, igr2= 28, 29, &end # # 31 CYX HB3 50 TRP HZ2 4.72 &rst ixpk= 0, nxpk= 0, iat= 469, 748, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end # # 32 SER HA 90 ASP HA 3.94 &rst ixpk= 0, nxpk= 0, iat= 476,1361, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end # # 32 SER HB3 91 CYX H 5.11 &rst ixpk= 0, nxpk= 0, iat= 479,1371, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end # # 33 PHE H 91 CYX H 4.85 &rst ixpk= 0, nxpk= 0, iat= 485,1371, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end # # 33 PHE HZ 86 ILE HA 4.97 &rst ixpk= 0, nxpk= 0, iat= 497,1293, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end # # 33 PHE HZ 86 ILE QG2 4.79 &rst ixpk= 0, nxpk= 0, iat= 497, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, igr2=1297,1298,1299, &end # # 33 PHE QD 110 LEU QD1 4.44 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1= 493, 501, igr2=1703,1704,1705, &end # # 33 PHE QD 34 SER H 4.96 &rst ixpk= 0, nxpk= 0, iat= -1, 505, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr1= 493, 501, &end # # 34 SER H 34 SER QB 3.77 &rst ixpk= 0, nxpk= 0, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, igr2= 509, 510, &end # # 34 SER QB 35 TYR QD 4.95 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74, igr1= 509, 510, igr2= 524, 533, &end # # 35 TYR QE 40 TRP HD1 5.01 &rst ixpk= 0, nxpk= 0, iat= -1, 595, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, igr1= 526, 531, &end # # 37 GLN H 37 GLN HG3 4.89 &rst ixpk= 0, nxpk= 0, iat= 551, 559, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end # # 37 GLN H 37 GLN HG2 5.04 &rst ixpk= 0, nxpk= 0, iat= 551, 558, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end # # 37 GLN H 38 ASP H 3.67 &rst ixpk= 0, nxpk= 0, iat= 551, 568, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end # # 37 GLN H 40 TRP HE1 4.89 &rst ixpk= 0, nxpk= 0, iat= 551, 597, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end # # 37 GLN H 40 TRP HZ2 4.92 &rst ixpk= 0, nxpk= 0, iat= 551, 600, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end # # 37 GLN HB2 38 ASP H 5.02 &rst ixpk= 0, nxpk= 0, iat= 555, 568, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end # # 37 GLN HB3 38 ASP H 4.53 &rst ixpk= 0, nxpk= 0, iat= 556, 568, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end # # 37 GLN HG2 40 TRP HZ2 5.53 &rst ixpk= 0, nxpk= 0, iat= 558, 600, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end # # 38 ASP H 39 GLY H 4.91 &rst ixpk= 0, nxpk= 0, iat= 568, 580, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end # # 38 ASP H 40 TRP HD1 4.65 &rst ixpk= 0, nxpk= 0, iat= 568, 595, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end # # 38 ASP HB3 39 GLY H 4.65 &rst ixpk= 0, nxpk= 0, iat= 573, 580, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end # # 40 TRP H 40 TRP HE3 5.25 &rst ixpk= 0, nxpk= 0, iat= 587, 606, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end # # 40 TRP H 40 TRP QB 3.65 &rst ixpk= 0, nxpk= 0, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, igr2= 591, 592, &end # # 40 TRP H 41 THR H 4.78 &rst ixpk= 0, nxpk= 0, iat= 587, 611, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end # # 40 TRP H 41 THR QG2 4.63 &rst ixpk= 0, nxpk= 0, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr2= 617, 618, 619, &end # # 40 TRP HA 40 TRP HD1 4.71 &rst ixpk= 0, nxpk= 0, iat= 589, 595, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end # # 40 TRP HD1 115 MET QE 4.09 &rst ixpk= 0, nxpk= 0, iat= 595, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, igr2=1781,1782,1783, &end # # 40 TRP HE1 115 MET HB3 5.07 &rst ixpk= 0, nxpk= 0, iat= 597,1775, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end # # 40 TRP HE3 41 THR H 4.09 &rst ixpk= 0, nxpk= 0, iat= 606, 611, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end # # 40 TRP HE3 41 THR HB 6.00 &rst ixpk= 0, nxpk= 0, iat= 606, 615, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 40 TRP HE3 42 ASP H 4.35 &rst ixpk= 0, nxpk= 0, iat= 606, 625, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end # # 41 THR H 114 SER H 5.12 &rst ixpk= 0, nxpk= 0, iat= 611,1759, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end # # 41 THR H 41 THR QG2 3.55 &rst ixpk= 0, nxpk= 0, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, igr2= 617, 618, 619, &end # # 41 THR H 44 ASP H 4.35 &rst ixpk= 0, nxpk= 0, iat= 611, 648, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end # # 41 THR H 44 ASP HA 5.47 &rst ixpk= 0, nxpk= 0, iat= 611, 650, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end # # 41 THR QG2 42 ASP H 4.06 &rst ixpk= 0, nxpk= 0, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, igr1= 617, 618, 619, &end # # 42 ASP H 43 SER H 3.91 &rst ixpk= 0, nxpk= 0, iat= 625, 637, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end # # 44 ASP H 113 GLY H 5.80 &rst ixpk= 0, nxpk= 0, iat= 648,1752, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 44 ASP HA 45 PRO QG 4.41 &rst ixpk= 0, nxpk= 0, iat= 650, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr2= 664, 665, &end # # 44 ASP HB2 113 GLY H 4.54 &rst ixpk= 0, nxpk= 0, iat= 652,1752, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end # # 49 TYR QD 111 GLU H 5.17 &rst ixpk= 0, nxpk= 0, iat= -1,1713, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr1= 722, 731, &end # # 49 TYR QD 65 THR HB 4.01 &rst ixpk= 0, nxpk= 0, iat= -1, 974, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr1= 722, 731, &end # # 49 TYR QD 65 THR QG2 4.03 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr1= 722, 731, igr2= 976, 977, 978, &end # # 49 TYR QE 65 THR HA 5.77 &rst ixpk= 0, nxpk= 0, iat= -1, 972, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98, igr1= 724, 729, &end # # 49 TYR QE 65 THR HB 4.48 &rst ixpk= 0, nxpk= 0, iat= -1, 974, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr1= 724, 729, &end # # 49 TYR QE 70 ARG HB2 4.51 &rst ixpk= 0, nxpk= 0, iat= -1,1042, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr1= 724, 729, &end # # 50 TRP H 63 VAL H 4.88 &rst ixpk= 0, nxpk= 0, iat= 735, 944, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end # # 50 TRP H 64 ALA H 4.00 &rst ixpk= 0, nxpk= 0, iat= 735, 960, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 50 TRP HA 64 ALA H 5.04 &rst ixpk= 0, nxpk= 0, iat= 737, 960, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end # # 50 TRP HB3 63 VAL QG2 4.59 &rst ixpk= 0, nxpk= 0, iat= 740, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, igr2= 954, 955, 956, &end # # 50 TRP HB3 64 ALA H 4.68 &rst ixpk= 0, nxpk= 0, iat= 740, 960, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end # # 50 TRP HB2 51 PHE H 4.61 &rst ixpk= 0, nxpk= 0, iat= 739, 759, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end # # 50 TRP HB2 64 ALA H 4.41 &rst ixpk= 0, nxpk= 0, iat= 739, 960, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end # # 50 TRP HB2 64 ALA QB 4.18 &rst ixpk= 0, nxpk= 0, iat= 739, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, igr2= 964, 965, 966, &end # # 50 TRP HD1 93 LEU QD1 3.97 &rst ixpk= 0, nxpk= 0, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr2=1401,1402,1403, &end # # 50 TRP HE3 106 TYR HA 4.47 &rst ixpk= 0, nxpk= 0, iat= 754,1611, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end # # 50 TRP HE3 106 TYR HB2 4.22 &rst ixpk= 0, nxpk= 0, iat= 754,1613, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end # # 50 TRP HE3 107 PHE H 4.00 &rst ixpk= 0, nxpk= 0, iat= 754,1630, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 50 TRP HE3 130 LEU HB3 5.24 &rst ixpk= 0, nxpk= 0, iat= 754,2049, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end # # 50 TRP HZ2 130 LEU QD2 4.59 &rst ixpk= 0, nxpk= 0, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, igr2=2057,2058,2059, &end # # 50 TRP HZ2 93 LEU H 5.27 &rst ixpk= 0, nxpk= 0, iat= 748,1392, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end # # 50 TRP HZ2 93 LEU HB2 4.44 &rst ixpk= 0, nxpk= 0, iat= 748,1396, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end # # 50 TRP HZ2 93 LEU QD1 5.80 &rst ixpk= 0, nxpk= 0, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, igr2=1401,1402,1403, &end # # 50 TRP HZ2 93 LEU QD2 4.76 &rst ixpk= 0, nxpk= 0, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, igr2=1405,1406,1407, &end # # 50 TRP HZ3 106 TYR H 4.99 &rst ixpk= 0, nxpk= 0, iat= 752,1609, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end # # 50 TRP HZ3 106 TYR HA 4.83 &rst ixpk= 0, nxpk= 0, iat= 752,1611, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end # # 50 TRP HZ3 107 PHE H 4.67 &rst ixpk= 0, nxpk= 0, iat= 752,1630, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end # # 50 TRP HZ3 108 PHE H 4.50 &rst ixpk= 0, nxpk= 0, iat= 752,1650, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 50 TRP HZ3 130 LEU H 4.09 &rst ixpk= 0, nxpk= 0, iat= 752,2044, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end # # 50 TRP HZ3 130 LEU HB2 4.52 &rst ixpk= 0, nxpk= 0, iat= 752,2048, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end # # 50 TRP HZ3 130 LEU QD2 4.06 &rst ixpk= 0, nxpk= 0, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, igr2=2057,2058,2059, &end # # 51 PHE H 106 TYR HA 4.89 &rst ixpk= 0, nxpk= 0, iat= 759,1611, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end # # 51 PHE H 107 PHE H 4.03 &rst ixpk= 0, nxpk= 0, iat= 759,1630, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end # # 51 PHE H 109 ARG H 5.74 &rst ixpk= 0, nxpk= 0, iat= 759,1670, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, &end # # 51 PHE H 51 PHE QD 4.29 &rst ixpk= 0, nxpk= 0, iat= 759, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, igr2= 767, 775, &end # # 51 PHE H 52 ARG H 4.88 &rst ixpk= 0, nxpk= 0, iat= 759, 779, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end # # 51 PHE QD 62 PRO HA 4.50 &rst ixpk= 0, nxpk= 0, iat= -1, 940, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 767, 775, &end # # 52 ARG H 106 TYR QE 4.78 &rst ixpk= 0, nxpk= 0, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr2=1619,1624, &end # # 52 ARG H 52 ARG HB3 3.94 &rst ixpk= 0, nxpk= 0, iat= 779, 784, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end # # 52 ARG H 52 ARG QD 4.59 &rst ixpk= 0, nxpk= 0, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, igr2= 789, 790, &end # # 52 ARG HA 106 TYR H 4.95 &rst ixpk= 0, nxpk= 0, iat= 781,1609, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end # # 52 ARG HA 106 TYR HA 3.99 &rst ixpk= 0, nxpk= 0, iat= 781,1611, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end # # 52 ARG HA 106 TYR QD 3.88 &rst ixpk= 0, nxpk= 0, iat= 781, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, igr2=1617,1626, &end # # 52 ARG HA 106 TYR QE 4.02 &rst ixpk= 0, nxpk= 0, iat= 781, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, igr2=1619,1624, &end # # 52 ARG HA 107 PHE H 4.28 &rst ixpk= 0, nxpk= 0, iat= 781,1630, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end # # 52 ARG HA 52 ARG HG3 4.20 &rst ixpk= 0, nxpk= 0, iat= 781, 787, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 52 ARG HB3 53 ALA H 4.15 &rst ixpk= 0, nxpk= 0, iat= 784, 803, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end # # 52 ARG HG3 53 ALA H 4.49 &rst ixpk= 0, nxpk= 0, iat= 787, 803, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end # # 52 ARG QD 106 TYR QE 4.29 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, igr1= 789, 790, igr2=1619,1624, &end # # 53 ALA H 105 SER HB2 4.68 &rst ixpk= 0, nxpk= 0, iat= 803,1602, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end # # 53 ALA H 106 TYR QE 5.69 &rst ixpk= 0, nxpk= 0, iat= 803, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89, igr2=1619,1624, &end # # 53 ALA H 107 PHE H 4.34 &rst ixpk= 0, nxpk= 0, iat= 803,1630, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end # # 53 ALA HA 107 PHE HZ 5.64 &rst ixpk= 0, nxpk= 0, iat= 805,1642, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end # # 53 ALA HA 107 PHE QD 3.34 &rst ixpk= 0, nxpk= 0, iat= 805, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, igr2=1638,1646, &end # # 53 ALA QB 105 SER H 4.37 &rst ixpk= 0, nxpk= 0, iat= -1,1598, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, igr1= 807, 808, 809, &end # # 53 ALA QB 105 SER HB2 3.27 &rst ixpk= 0, nxpk= 0, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 807, 808, 809, &end # # 53 ALA QB 106 TYR HA 4.50 &rst ixpk= 0, nxpk= 0, iat= -1,1611, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 807, 808, 809, &end # # 53 ALA QB 107 PHE QD 3.57 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, igr1= 807, 808, 809, igr2=1638,1646, &end # # 58 TYR HB3 59 GLN H 4.98 &rst ixpk= 0, nxpk= 0, iat= 875, 891, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end # # 58 TYR QD 59 GLN H 4.66 &rst ixpk= 0, nxpk= 0, iat= -1, 891, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, igr1= 878, 887, &end # # 58 TYR QD 59 GLN QG 4.13 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, igr1= 878, 887, igr2= 898, 899, &end # # 59 GLN H 60 ASP H 3.37 &rst ixpk= 0, nxpk= 0, iat= 891, 908, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end # # 59 GLN HB2 59 GLN HE21 4.74 &rst ixpk= 0, nxpk= 0, iat= 895, 904, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end # # 59 GLN HB3 59 GLN HE21 5.11 &rst ixpk= 0, nxpk= 0, iat= 896, 904, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end # # 59 GLN HB3 60 ASP H 4.86 &rst ixpk= 0, nxpk= 0, iat= 896, 908, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end # # 59 GLN QG 59 GLN HE21 3.30 &rst ixpk= 0, nxpk= 0, iat= -1, 904, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, igr1= 898, 899, &end # # 59 GLN QG 59 GLN HE22 3.77 &rst ixpk= 0, nxpk= 0, iat= -1, 903, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, igr1= 898, 899, &end # # 59 GLN QG 60 ASP H 5.03 &rst ixpk= 0, nxpk= 0, iat= -1, 908, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, igr1= 898, 899, &end # # 5 ARG H 5 ARG HG2 4.80 &rst ixpk= 0, nxpk= 0, iat= 55, 62, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 5 ARG H 6 GLN H 4.67 &rst ixpk= 0, nxpk= 0, iat= 55, 79, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end # # 5 ARG HA 6 GLN HB3 4.75 &rst ixpk= 0, nxpk= 0, iat= 57, 84, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end # # 5 ARG HB3 9 ASP HB2 4.69 &rst ixpk= 0, nxpk= 0, iat= 60, 128, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end # # 60 ASP H 61 ALA H 4.85 &rst ixpk= 0, nxpk= 0, iat= 908, 920, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end # # 61 ALA H 73 GLN HE21 3.95 &rst ixpk= 0, nxpk= 0, iat= 920,1106, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end # # 61 ALA H 73 GLN HE22 3.92 &rst ixpk= 0, nxpk= 0, iat= 920,1105, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end # # 61 ALA QB 62 PRO HA 5.21 &rst ixpk= 0, nxpk= 0, iat= -1, 940, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76, igr1= 924, 925, 926, &end # # 61 ALA QB 62 PRO HD3 4.65 &rst ixpk= 0, nxpk= 0, iat= -1, 932, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr1= 924, 925, 926, &end # # 61 ALA QB 72 VAL H 5.12 &rst ixpk= 0, nxpk= 0, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, igr1= 924, 925, 926, &end # # 61 ALA QB 72 VAL HB 4.89 &rst ixpk= 0, nxpk= 0, iat= -1,1081, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, igr1= 924, 925, 926, &end # # 61 ALA QB 73 GLN H 3.75 &rst ixpk= 0, nxpk= 0, iat= -1,1093, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr1= 924, 925, 926, &end # # 61 ALA QB 73 GLN HG3 4.33 &rst ixpk= 0, nxpk= 0, iat= -1,1101, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, igr1= 924, 925, 926, &end # # 63 VAL H 63 VAL QG2 3.63 &rst ixpk= 0, nxpk= 0, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, igr2= 954, 955, 956, &end # # 63 VAL H 64 ALA H 3.59 &rst ixpk= 0, nxpk= 0, iat= 944, 960, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end # # 63 VAL HA 63 VAL QG1 3.65 &rst ixpk= 0, nxpk= 0, iat= 946, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, igr2= 950, 951, 952, &end # # 63 VAL QG1 64 ALA H 4.38 &rst ixpk= 0, nxpk= 0, iat= -1, 960, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, igr1= 950, 951, 952, &end # # 63 VAL QG1 73 GLN HE21 4.74 &rst ixpk= 0, nxpk= 0, iat= -1,1106, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, igr1= 950, 951, 952, &end # # 63 VAL QG1 76 THR HB 5.21 &rst ixpk= 0, nxpk= 0, iat= -1,1139, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76, igr1= 950, 951, 952, &end # # 63 VAL QG1 80 PHE QD 5.12 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, igr1= 950, 951, 952, igr2=1205,1213, &end # # 63 VAL QG2 64 ALA QB 4.01 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, igr1= 954, 955, 956, igr2= 964, 965, 966, &end # # 64 ALA H 64 ALA QB 3.68 &rst ixpk= 0, nxpk= 0, iat= 960, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, igr2= 964, 965, 966, &end # # 64 ALA H 65 THR H 4.67 &rst ixpk= 0, nxpk= 0, iat= 960, 970, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end # # 64 ALA H 72 VAL HB 5.17 &rst ixpk= 0, nxpk= 0, iat= 960,1081, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end # # 64 ALA QB 72 VAL QG1 4.11 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, igr1= 964, 965, 966, igr2=1083,1084,1085, &end # # 64 ALA QB 76 THR QG2 4.88 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54, igr1= 964, 965, 966, igr2=1141,1142,1143, &end # # 64 ALA QB 80 PHE H 5.32 &rst ixpk= 0, nxpk= 0, iat= -1,1197, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89, igr1= 964, 965, 966, &end # # 64 ALA QB 80 PHE HB2 4.02 &rst ixpk= 0, nxpk= 0, iat= -1,1201, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr1= 964, 965, 966, &end # # 64 ALA QB 80 PHE HB3 3.96 &rst ixpk= 0, nxpk= 0, iat= -1,1202, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr1= 964, 965, 966, &end # # 64 ALA QB 81 GLN H 4.24 &rst ixpk= 0, nxpk= 0, iat= -1,1217, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, igr1= 964, 965, 966, &end # # 64 ALA QB 93 LEU QD1 3.45 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, igr1= 964, 965, 966, igr2=1401,1402,1403, &end # # 67 ASN HA 67 ASN HD21 5.00 &rst ixpk= 0, nxpk= 0, iat=1000,1008, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 68 PRO HD3 69 ASP H 4.33 &rst ixpk= 0, nxpk= 0, iat=1014,1026, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end # # 68 PRO HG3 69 ASP H 4.69 &rst ixpk= 0, nxpk= 0, iat=1017,1026, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end # # 69 ASP H 70 ARG H 3.14 &rst ixpk= 0, nxpk= 0, iat=1026,1038, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end # # 6 GLN H 6 GLN HB3 3.75 &rst ixpk= 0, nxpk= 0, iat= 79, 84, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end # # 6 GLN HA 6 GLN HE21 5.30 &rst ixpk= 0, nxpk= 0, iat= 81, 92, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 6 GLN HB2 9 ASP H 5.80 &rst ixpk= 0, nxpk= 0, iat= 83, 124, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 6 GLN HB3 7 TYR H 4.18 &rst ixpk= 0, nxpk= 0, iat= 84, 96, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end # # 6 GLN HE21 7 TYR H 5.16 &rst ixpk= 0, nxpk= 0, iat= 92, 96, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end # # 6 GLN HG3 6 GLN HE22 3.95 &rst ixpk= 0, nxpk= 0, iat= 87, 91, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end # # 6 GLN HG3 7 TYR H 5.00 &rst ixpk= 0, nxpk= 0, iat= 87, 96, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 71 GLU H 72 VAL H 4.78 &rst ixpk= 0, nxpk= 0, iat=1062,1077, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end # # 71 GLU HA 71 GLU HG2 4.07 &rst ixpk= 0, nxpk= 0, iat=1064,1069, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end # # 72 VAL H 72 VAL HB 4.20 &rst ixpk= 0, nxpk= 0, iat=1077,1081, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 72 VAL H 73 GLN H 4.84 &rst ixpk= 0, nxpk= 0, iat=1077,1093, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end # # 72 VAL HA 72 VAL QG2 4.11 &rst ixpk= 0, nxpk= 0, iat=1079, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, igr2=1087,1088,1089, &end # # 72 VAL QG2 74 ALA HA 4.89 &rst ixpk= 0, nxpk= 0, iat= -1,1112, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, igr1=1087,1088,1089, &end # # 72 VAL QG2 74 ALA QB 5.64 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.13, r4= 8.63, igr1=1087,1088,1089, igr2=1114,1115,1116, &end # # 72 VAL QG2 77 GLN H 3.78 &rst ixpk= 0, nxpk= 0, iat= -1,1149, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, igr1=1087,1088,1089, &end # # 72 VAL QG2 78 GLY H 4.49 &rst ixpk= 0, nxpk= 0, iat= -1,1166, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr1=1087,1088,1089, &end # # 73 GLN H 74 ALA H 4.94 &rst ixpk= 0, nxpk= 0, iat=1093,1110, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end # # 73 GLN H 76 THR QG2 4.97 &rst ixpk= 0, nxpk= 0, iat=1093, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, igr2=1141,1142,1143, &end # # 73 GLN HA 73 GLN HE21 4.64 &rst ixpk= 0, nxpk= 0, iat=1095,1106, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end # # 73 GLN HA 73 GLN HG2 3.73 &rst ixpk= 0, nxpk= 0, iat=1095,1100, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end # # 73 GLN HA 74 ALA QB 4.45 &rst ixpk= 0, nxpk= 0, iat=1095, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr2=1114,1115,1116, &end # # 73 GLN HB3 74 ALA H 4.10 &rst ixpk= 0, nxpk= 0, iat=1098,1110, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 74 ALA H 76 THR H 4.81 &rst ixpk= 0, nxpk= 0, iat=1110,1135, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end # # 74 ALA QB 75 GLU QG 4.46 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, igr1=1114,1115,1116, igr2=1127,1128, &end # # 75 GLU H 76 THR H 3.75 &rst ixpk= 0, nxpk= 0, iat=1120,1135, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end # # 75 GLU H 76 THR QG2 4.55 &rst ixpk= 0, nxpk= 0, iat=1120, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, igr2=1141,1142,1143, &end # # 75 GLU HA 75 GLU QG 3.70 &rst ixpk= 0, nxpk= 0, iat=1122, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, igr2=1127,1128, &end # # 76 THR H 76 THR QG2 3.72 &rst ixpk= 0, nxpk= 0, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr2=1141,1142,1143, &end # # 76 THR HB 80 PHE H 4.46 &rst ixpk= 0, nxpk= 0, iat=1139,1197, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end # # 76 THR QG2 106 TYR QE 4.38 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, igr1=1141,1142,1143, igr2=1619,1624, &end # # 76 THR QG2 77 GLN H 4.66 &rst ixpk= 0, nxpk= 0, iat= -1,1149, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, igr1=1141,1142,1143, &end # # 76 THR QG2 79 ARG H 6.00 &rst ixpk= 0, nxpk= 0, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1141,1142,1143, &end # # 76 THR QG2 80 PHE H 4.78 &rst ixpk= 0, nxpk= 0, iat= -1,1197, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, igr1=1141,1142,1143, &end # # 76 THR QG2 80 PHE HZ 4.43 &rst ixpk= 0, nxpk= 0, iat= -1,1209, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, igr1=1141,1142,1143, &end # # 77 GLN H 77 GLN QG 4.45 &rst ixpk= 0, nxpk= 0, iat=1149, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, igr2=1156,1157, &end # # 77 GLN QG 77 GLN HE21 3.79 &rst ixpk= 0, nxpk= 0, iat= -1,1162, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, igr1=1156,1157, &end # # 77 GLN QG 77 GLN HE22 3.79 &rst ixpk= 0, nxpk= 0, iat= -1,1161, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, igr1=1156,1157, &end # # 79 ARG H 79 ARG HB2 3.85 &rst ixpk= 0, nxpk= 0, iat=1173,1177, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end # # 79 ARG H 79 ARG HE 5.22 &rst ixpk= 0, nxpk= 0, iat=1173,1186, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end # # 79 ARG H 79 ARG QG 3.83 &rst ixpk= 0, nxpk= 0, iat=1173, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, igr2=1180,1181, &end # # 79 ARG H 80 PHE HA 5.30 &rst ixpk= 0, nxpk= 0, iat=1173,1199, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 79 ARG H 80 PHE HB2 4.73 &rst ixpk= 0, nxpk= 0, iat=1173,1201, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end # # 79 ARG H 80 PHE QD 4.83 &rst ixpk= 0, nxpk= 0, iat=1173, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, igr2=1205,1213, &end # # 79 ARG HB2 80 PHE H 4.38 &rst ixpk= 0, nxpk= 0, iat=1177,1197, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end # # 79 ARG QG 80 PHE H 4.66 &rst ixpk= 0, nxpk= 0, iat= -1,1197, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, igr1=1180,1181, &end # # 79 ARG QG 96 ARG H 5.10 &rst ixpk= 0, nxpk= 0, iat= -1,1441, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, igr1=1180,1181, &end # # 7 TYR H 124 ASN HD21 5.69 &rst ixpk= 0, nxpk= 0, iat= 96,1944, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end # # 7 TYR H 7 TYR QD 4.53 &rst ixpk= 0, nxpk= 0, iat= 96, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr2= 104, 113, &end # # 7 TYR QD 125 TYR HB2 3.91 &rst ixpk= 0, nxpk= 0, iat= -1,1952, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, igr1= 104, 113, &end # # 7 TYR QE 122 GLN H 5.54 &rst ixpk= 0, nxpk= 0, iat= -1,1898, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72, igr1= 106, 111, &end # # 7 TYR QE 125 TYR H 4.82 &rst ixpk= 0, nxpk= 0, iat= -1,1948, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, igr1= 106, 111, &end # # 80 PHE H 80 PHE HB2 3.76 &rst ixpk= 0, nxpk= 0, iat=1197,1201, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end # # 80 PHE H 80 PHE HB3 3.93 &rst ixpk= 0, nxpk= 0, iat=1197,1202, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end # # 80 PHE H 80 PHE QD 3.60 &rst ixpk= 0, nxpk= 0, iat=1197, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, igr2=1205,1213, &end # # 80 PHE H 81 GLN H 4.83 &rst ixpk= 0, nxpk= 0, iat=1197,1217, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end # # 80 PHE HA 80 PHE QD 3.91 &rst ixpk= 0, nxpk= 0, iat=1199, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, igr2=1205,1213, &end # # 80 PHE HA 93 LEU QD1 4.14 &rst ixpk= 0, nxpk= 0, iat=1199, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr2=1401,1402,1403, &end # # 80 PHE HA 93 LEU QD2 5.38 &rst ixpk= 0, nxpk= 0, iat=1199, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96, igr2=1405,1406,1407, &end # # 80 PHE HA 95 ILE QD1 5.24 &rst ixpk= 0, nxpk= 0, iat=1199, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79, igr2=1435,1436,1437, &end # # 80 PHE HA 95 ILE QG2 4.73 &rst ixpk= 0, nxpk= 0, iat=1199, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr2=1428,1429,1430, &end # # 80 PHE HB2 81 GLN H 4.78 &rst ixpk= 0, nxpk= 0, iat=1201,1217, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end # # 80 PHE HZ 106 TYR HH 4.58 &rst ixpk= 0, nxpk= 0, iat=1209,1622, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end # # 80 PHE HZ 95 ILE QD1 4.06 &rst ixpk= 0, nxpk= 0, iat=1209, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, igr2=1435,1436,1437, &end # # 80 PHE HZ 95 ILE QG2 4.27 &rst ixpk= 0, nxpk= 0, iat=1209, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr2=1428,1429,1430, &end # # 80 PHE QD 80 PHE HZ 4.16 &rst ixpk= 0, nxpk= 0, iat= -1,1209, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, igr1=1205,1213, &end # # 80 PHE QE 106 TYR QE 4.21 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=1207,1211, igr2=1619,1624, &end # # 80 PHE QE 93 LEU QD2 4.18 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, igr1=1207,1211, igr2=1405,1406,1407, &end # # 80 PHE QE 95 ILE QD1 3.97 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, igr1=1207,1211, igr2=1435,1436,1437, &end # # 81 GLN H 94 SER H 3.91 &rst ixpk= 0, nxpk= 0, iat=1217,1411, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end # # 81 GLN H 95 ILE QD1 5.74 &rst ixpk= 0, nxpk= 0, iat=1217, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39, igr2=1435,1436,1437, &end # # 81 GLN HA 83 LEU QD2 5.52 &rst ixpk= 0, nxpk= 0, iat=1219, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13, igr2=1266,1267,1268, &end # # 81 GLN HB3 83 LEU QD2 4.68 &rst ixpk= 0, nxpk= 0, iat=1222, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, igr2=1266,1267,1268, &end # # 81 GLN HG3 83 LEU QD2 4.34 &rst ixpk= 0, nxpk= 0, iat=1225, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, igr2=1266,1267,1268, &end # # 82 LEU H 82 LEU HG 4.29 &rst ixpk= 0, nxpk= 0, iat=1234,1241, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end # # 82 LEU H 83 LEU QD2 4.76 &rst ixpk= 0, nxpk= 0, iat=1234, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, igr2=1266,1267,1268, &end # # 82 LEU HB2 82 LEU QD1 3.45 &rst ixpk= 0, nxpk= 0, iat=1238, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, igr2=1243,1244,1245, &end # # 82 LEU HG 93 LEU QD1 4.39 &rst ixpk= 0, nxpk= 0, iat=1241, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, igr2=1401,1402,1403, &end # # 82 LEU QD1 86 ILE QG2 4.35 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, igr1=1243,1244,1245, igr2=1297,1298,1299, &end # # 82 LEU QD2 93 LEU QD1 3.68 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, igr1=1247,1248,1249, igr2=1401,1402,1403, &end # # 83 LEU H 83 LEU QD2 4.16 &rst ixpk= 0, nxpk= 0, iat=1253, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr2=1266,1267,1268, &end # # 83 LEU HA 83 LEU HG 3.75 &rst ixpk= 0, nxpk= 0, iat=1255,1260, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end # # 83 LEU HA 83 LEU QD2 2.93 &rst ixpk= 0, nxpk= 0, iat=1255, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, igr2=1266,1267,1268, &end # # 83 LEU QD1 92 SER HB2 4.26 &rst ixpk= 0, nxpk= 0, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, igr1=1262,1263,1264, &end # # 86 ILE HA 86 ILE QD1 4.57 &rst ixpk= 0, nxpk= 0, iat=1293, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, igr2=1304,1305,1306, &end # # 86 ILE QG2 87 TRP H 4.34 &rst ixpk= 0, nxpk= 0, iat= -1,1310, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, igr1=1297,1298,1299, &end # # 87 TRP H 87 TRP HD1 3.98 &rst ixpk= 0, nxpk= 0, iat=1310,1318, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end # # 87 TRP H 87 TRP HE1 5.22 &rst ixpk= 0, nxpk= 0, iat=1310,1320, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end # # 8 GLY H 11 TYR QD 4.41 &rst ixpk= 0, nxpk= 0, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr2= 151, 160, &end # # 8 GLY HA2 117 TRP HE1 5.05 &rst ixpk= 0, nxpk= 0, iat= 119,1819, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end # # 8 GLY HA2 11 TYR H 5.13 &rst ixpk= 0, nxpk= 0, iat= 119, 143, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end # # 90 ASP HB2 91 CYX H 4.83 &rst ixpk= 0, nxpk= 0, iat=1363,1371, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end # # 93 LEU H 93 LEU HB2 4.19 &rst ixpk= 0, nxpk= 0, iat=1392,1396, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end # # 93 LEU H 93 LEU QD2 4.61 &rst ixpk= 0, nxpk= 0, iat=1392, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr2=1405,1406,1407, &end # # 93 LEU HA 93 LEU QD2 4.88 &rst ixpk= 0, nxpk= 0, iat=1394, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, igr2=1405,1406,1407, &end # # 93 LEU HB2 93 LEU QD1 3.89 &rst ixpk= 0, nxpk= 0, iat=1396, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, igr2=1401,1402,1403, &end # # 93 LEU HB2 93 LEU QD2 3.66 &rst ixpk= 0, nxpk= 0, iat=1396, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr2=1405,1406,1407, &end # # 93 LEU HB2 94 SER H 4.51 &rst ixpk= 0, nxpk= 0, iat=1396,1411, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end # # 93 LEU QD1 94 SER H 3.52 &rst ixpk= 0, nxpk= 0, iat= -1,1411, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, igr1=1401,1402,1403, &end # # 93 LEU QD1 95 ILE HG13 4.72 &rst ixpk= 0, nxpk= 0, iat= -1,1433, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1401,1402,1403, &end # # 93 LEU QD2 130 LEU QD1 4.75 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35, igr1=1405,1406,1407, igr2=2053,2054,2055, &end # # 93 LEU QD2 130 LEU QD2 3.36 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr1=1405,1406,1407, igr2=2057,2058,2059, &end # # 93 LEU QD2 94 SER H 5.06 &rst ixpk= 0, nxpk= 0, iat= -1,1411, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, igr1=1405,1406,1407, &end # # 93 LEU QD2 95 ILE QD1 3.54 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, igr1=1405,1406,1407, igr2=1435,1436,1437, &end # # 95 ILE H 95 ILE HG13 4.33 &rst ixpk= 0, nxpk= 0, iat=1422,1433, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end # # 95 ILE H 95 ILE QD1 4.17 &rst ixpk= 0, nxpk= 0, iat=1422, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, igr2=1435,1436,1437, &end # # 95 ILE H 95 ILE QG2 4.08 &rst ixpk= 0, nxpk= 0, iat=1422, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, igr2=1428,1429,1430, &end # # 95 ILE H 96 ARG H 4.84 &rst ixpk= 0, nxpk= 0, iat=1422,1441, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end # # 95 ILE HA 95 ILE HG12 4.17 &rst ixpk= 0, nxpk= 0, iat=1424,1432, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end # # 95 ILE HA 95 ILE QD1 3.87 &rst ixpk= 0, nxpk= 0, iat=1424, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr2=1435,1436,1437, &end # # 95 ILE HB 96 ARG H 4.76 &rst ixpk= 0, nxpk= 0, iat=1426,1441, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end # # 95 ILE HG12 132 VAL QG2 5.46 &rst ixpk= 0, nxpk= 0, iat=1432, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, igr2=2084,2085,2086, &end # # 95 ILE HG12 96 ARG H 5.28 &rst ixpk= 0, nxpk= 0, iat=1432,1441, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end # # 95 ILE QD1 106 TYR QD 5.25 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58, igr1=1435,1436,1437, igr2=1617,1626, &end # # 95 ILE QD1 96 ARG H 5.44 &rst ixpk= 0, nxpk= 0, iat= -1,1441, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1=1435,1436,1437, &end # # 95 ILE QG2 95 ILE HG13 3.71 &rst ixpk= 0, nxpk= 0, iat= -1,1433, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, igr1=1428,1429,1430, &end # # 95 ILE QG2 95 ILE QD1 3.31 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr1=1428,1429,1430, igr2=1435,1436,1437, &end # # 95 ILE QG2 96 ARG H 3.69 &rst ixpk= 0, nxpk= 0, iat= -1,1441, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, igr1=1428,1429,1430, &end # # 95 ILE QG2 96 ARG HA 4.39 &rst ixpk= 0, nxpk= 0, iat= -1,1443, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, igr1=1428,1429,1430, &end # # 95 ILE QG2 98 ALA H 3.94 &rst ixpk= 0, nxpk= 0, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr1=1428,1429,1430, &end # # 95 ILE QG2 98 ALA HA 4.05 &rst ixpk= 0, nxpk= 0, iat= -1,1479, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, igr1=1428,1429,1430, &end # # 96 ARG H 97 ASP H 4.94 &rst ixpk= 0, nxpk= 0, iat=1441,1465, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end # # 96 ARG HA 97 ASP HA 4.77 &rst ixpk= 0, nxpk= 0, iat=1443,1467, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end # # 96 ARG QB 96 ARG QD 3.72 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, igr1=1445,1446, igr2=1451,1452, &end # # 96 ARG QB 97 ASP H 4.08 &rst ixpk= 0, nxpk= 0, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr1=1445,1446, &end # # 97 ASP H 98 ALA H 3.44 &rst ixpk= 0, nxpk= 0, iat=1465,1477, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end # # 97 ASP H 98 ALA QB 4.78 &rst ixpk= 0, nxpk= 0, iat=1465, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, igr2=1481,1482,1483, &end # # 98 ALA H 99 ARG H 4.87 &rst ixpk= 0, nxpk= 0, iat=1477,1487, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end # # 98 ALA QB 102 ASP H 5.59 &rst ixpk= 0, nxpk= 0, iat= -1,1557, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21, igr1=1481,1482,1483, &end # # 98 ALA QB 134 VAL QG1 3.70 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr1=1481,1482,1483, igr2=2116,2117,2118, &end # # 98 ALA QB 99 ARG H 3.66 &rst ixpk= 0, nxpk= 0, iat= -1,1487, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr1=1481,1482,1483, &end # # 99 ARG H 102 ASP H 4.43 &rst ixpk= 0, nxpk= 0, iat=1487,1557, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end # # 99 ARG H 102 ASP HA 5.02 &rst ixpk= 0, nxpk= 0, iat=1487,1559, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end # # 99 ARG H 134 VAL QG2 4.45 &rst ixpk= 0, nxpk= 0, iat=1487, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr2=2120,2121,2122, &end # # 99 ARG HA 102 ASP H 5.14 &rst ixpk= 0, nxpk= 0, iat=1489,1557, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end # # 9 ASP HB2 10 GLY H 4.93 &rst ixpk= 0, nxpk= 0, iat= 128, 136, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end # # 3 GLY QA 4 ASP H 3.27 &rst ixpk= 0, nxpk= 0, iat= -1, 43, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, igr1= 38, 39, &end # # 3 GLY QA 4 ASP HA 4.95 &rst ixpk= 0, nxpk= 0, iat= -1, 45, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1= 38, 39, &end # # 3 GLY QA 5 ARG HG2 5.26 &rst ixpk= 0, nxpk= 0, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, igr1= 38, 39, &end # # 4 ASP H 4 ASP QB 3.81 &rst ixpk= 0, nxpk= 0, iat= 43, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, igr2= 47, 48, &end # # 4 ASP HA 4 ASP QB 2.84 &rst ixpk= 0, nxpk= 0, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, igr2= 47, 48, &end # # 5 ARG HA 9 ASP QB 4.46 &rst ixpk= 0, nxpk= 0, iat= 57, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, igr2= 128, 129, &end # # 5 ARG HG3 9 ASP QB 4.25 &rst ixpk= 0, nxpk= 0, iat= 63, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr2= 128, 129, &end # # 5 ARG QD 9 ASP QB 4.27 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr1= 65, 66, igr2= 128, 129, &end # # 6 GLN H 9 ASP QB 3.65 &rst ixpk= 0, nxpk= 0, iat= 79, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, igr2= 128, 129, &end # # 6 GLN HA 9 ASP QB 5.10 &rst ixpk= 0, nxpk= 0, iat= 81, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, igr2= 128, 129, &end # # 8 GLY H 9 ASP QB 4.69 &rst ixpk= 0, nxpk= 0, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, igr2= 128, 129, &end # # 9 ASP H 9 ASP QB 2.87 &rst ixpk= 0, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, igr2= 128, 129, &end # # 9 ASP HA 9 ASP QB 2.87 &rst ixpk= 0, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, igr2= 128, 129, &end # # 9 ASP QB 10 GLY H 4.07 &rst ixpk= 0, nxpk= 0, iat= -1, 136, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, igr1= 128, 129, &end # # 9 ASP QB 10 GLY HA3 5.14 &rst ixpk= 0, nxpk= 0, iat= -1, 139, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, igr1= 128, 129, &end # # 9 ASP QB 11 TYR H 5.64 &rst ixpk= 0, nxpk= 0, iat= -1, 143, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83, igr1= 128, 129, &end # # 11 TYR H 11 TYR QB 3.46 &rst ixpk= 0, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, igr2= 147, 148, &end # # 11 TYR QB 12 LEU H 4.63 &rst ixpk= 0, nxpk= 0, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, igr1= 147, 148, &end # # 11 TYR QB 12 LEU QD2 4.75 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, igr1= 147, 148, igr2= 177, 178, 179, &end # # 11 TYR QB 117 TRP HE1 3.78 &rst ixpk= 0, nxpk= 0, iat= -1,1819, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1= 147, 148, &end # # 11 TYR QB 119 TYR QE 4.12 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr1= 147, 148, igr2=1854,1859, &end # # 11 TYR QB 125 TYR QE 5.12 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95, igr1= 147, 148, igr2=1958,1963, &end # # 13 LEU H 128 LYS QG 5.64 &rst ixpk= 0, nxpk= 0, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83, igr2=2012,2013, &end # # 14 GLN H 32 SER QB 4.97 &rst ixpk= 0, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr2= 478, 479, &end # # 14 GLN QB 32 SER QB 4.64 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, igr1= 206, 207, igr2= 478, 479, &end # # 15 VAL H 128 LYS QG 4.84 &rst ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr2=2012,2013, &end # # 15 VAL QG1 128 LYS QG 4.64 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75, igr1= 225, 226, 227, igr2=2012,2013, &end # # 17 GLU QG 128 LYS QG 4.46 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, igr1= 259, 260, igr2=2012,2013, &end # # 23 GLU HG2 99 ARG QB 4.83 &rst ixpk= 0, nxpk= 0, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, igr2=1491,1492, &end # # 23 GLU HG3 100 LYS QG 3.89 &rst ixpk= 0, nxpk= 0, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, igr2=1518,1519, &end # # 32 SER QB 33 PHE H 3.49 &rst ixpk= 0, nxpk= 0, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, igr1= 478, 479, &end # # 32 SER QB 33 PHE QD 5.30 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18, igr1= 478, 479, igr2= 493, 501, &end # # 32 SER QB 90 ASP HA 4.13 &rst ixpk= 0, nxpk= 0, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, igr1= 478, 479, &end # # 32 SER QB 90 ASP HB2 5.64 &rst ixpk= 0, nxpk= 0, iat= -1,1363, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83, igr1= 478, 479, &end # # 32 SER QB 90 ASP HB3 5.64 &rst ixpk= 0, nxpk= 0, iat= -1,1364, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83, igr1= 478, 479, &end # # 32 SER QB 91 CYX H 4.50 &rst ixpk= 0, nxpk= 0, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 478, 479, &end # # 33 PHE H 89 ASN QB 3.88 &rst ixpk= 0, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, igr2=1349,1350, &end # # 34 SER HA 89 ASN QD2 4.08 &rst ixpk= 0, nxpk= 0, iat= 507, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr2=1354,1355, &end # # 35 TYR QE 89 ASN QB 5.36 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, igr1= 526, 531, igr2=1349,1350, &end # # 35 TYR QE 89 ASN QD2 4.24 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr1= 526, 531, igr2=1354,1355, &end # # 36 PRO HB2 38 ASP QB 3.59 &rst ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, igr2= 572, 573, &end # # 37 GLN H 38 ASP QB 4.61 &rst ixpk= 0, nxpk= 0, iat= 551, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, igr2= 572, 573, &end # # 38 ASP HA 38 ASP QB 2.94 &rst ixpk= 0, nxpk= 0, iat= 570, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, igr2= 572, 573, &end # # 40 TRP HD1 115 MET QG 4.64 &rst ixpk= 0, nxpk= 0, iat= 595, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, igr2=1777,1778, &end # # 42 ASP H 43 SER QB 5.30 &rst ixpk= 0, nxpk= 0, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, igr2= 641, 642, &end # # 43 SER QB 44 ASP H 4.23 &rst ixpk= 0, nxpk= 0, iat= -1, 648, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, igr1= 641, 642, &end # # 44 ASP H 45 PRO QD 5.19 &rst ixpk= 0, nxpk= 0, iat= 648, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, igr2= 661, 662, &end # # 44 ASP HB2 45 PRO QD 5.21 &rst ixpk= 0, nxpk= 0, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, igr2= 661, 662, &end # # 44 ASP HB3 45 PRO QD 4.62 &rst ixpk= 0, nxpk= 0, iat= 653, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr2= 661, 662, &end # # 46 VAL QQG 47 HIS H 4.73 &rst ixpk= 0, nxpk= 0, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, igr1= 680, 681, 682, 684, 685, 686, &end # # 46 VAL QQG 86 ILE HB 4.66 &rst ixpk= 0, nxpk= 0, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78, igr1= 680, 681, 682, 684, 685, 686, &end # # 46 VAL QQG 86 ILE QG2 4.14 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, igr1= 680, 681, 682, 684, 685, 686, igr2=1297,1298,1299, &end # # 46 VAL QQG 87 TRP H 5.11 &rst ixpk= 0, nxpk= 0, iat= -1,1310, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39, igr1= 680, 681, 682, 684, 685, 686, &end # # 46 VAL QQG 87 TRP HE3 5.07 &rst ixpk= 0, nxpk= 0, iat= -1,1329, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33, igr1= 680, 681, 682, 684, 685, 686, &end # # 46 VAL QQG 112 ARG HA 4.67 &rst ixpk= 0, nxpk= 0, iat= -1,1730, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1= 680, 681, 682, 684, 685, 686, &end # # 46 VAL QQG 112 ARG HE 4.24 &rst ixpk= 0, nxpk= 0, iat= -1,1741, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, igr1= 680, 681, 682, 684, 685, 686, &end # # 47 HIS QB 48 GLY H 4.30 &rst ixpk= 0, nxpk= 0, iat= -1, 707, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr1= 694, 695, &end # # 47 HIS QB 49 TYR QE 3.86 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, igr1= 694, 695, igr2= 724, 729, &end # # 48 GLY H 66 ASN QD2 5.40 &rst ixpk= 0, nxpk= 0, iat= 707, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, igr2= 993, 994, &end # # 49 TYR QD 70 ARG QB 5.52 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45, igr1= 722, 731, igr2=1042,1043, &end # # 49 TYR QE 70 ARG QB 3.83 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr1= 724, 729, igr2=1042,1043, &end # # 49 TYR QE 70 ARG QG 3.87 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, igr1= 724, 729, igr2=1045,1046, &end # # 52 ARG H 55 ASP QB 4.40 &rst ixpk= 0, nxpk= 0, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, igr2= 824, 825, &end # # 55 ASP H 55 ASP QB 3.56 &rst ixpk= 0, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr2= 824, 825, &end # # 56 ARG QD 59 GLN QG 4.72 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, igr1= 842, 843, igr2= 898, 899, &end # # 56 ARG QD 59 GLN HE21 4.80 &rst ixpk= 0, nxpk= 0, iat= -1, 904, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr1= 842, 843, &end # # 56 ARG QD 59 GLN HE22 4.37 &rst ixpk= 0, nxpk= 0, iat= -1, 903, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, igr1= 842, 843, &end # # 63 VAL HA 73 GLN QB 4.79 &rst ixpk= 0, nxpk= 0, iat= 946, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr2=1097,1098, &end # # 66 ASN QB 82 LEU QD1 3.69 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr1= 988, 989, igr2=1243,1244,1245, &end # # 66 ASN QD2 86 ILE QG2 4.08 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr1= 993, 994, igr2=1297,1298,1299, &end # # 67 ASN QB 67 ASN HD22 3.87 &rst ixpk= 0, nxpk= 0, iat= -1,1007, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, igr1=1002,1003, &end # # 67 ASN QB 70 ARG H 4.20 &rst ixpk= 0, nxpk= 0, iat= -1,1038, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, igr1=1002,1003, &end # # 67 ASN HD21 70 ARG QB 5.02 &rst ixpk= 0, nxpk= 0, iat=1008, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, igr2=1042,1043, &end # # 67 ASN HD22 70 ARG QB 4.38 &rst ixpk= 0, nxpk= 0, iat=1007, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr2=1042,1043, &end # # 69 ASP H 70 ARG QB 4.56 &rst ixpk= 0, nxpk= 0, iat=1026, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, igr2=1042,1043, &end # # 70 ARG H 70 ARG QB 3.14 &rst ixpk= 0, nxpk= 0, iat=1038, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, igr2=1042,1043, &end # # 70 ARG H 70 ARG QD 4.63 &rst ixpk= 0, nxpk= 0, iat=1038, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, igr2=1048,1049, &end # # 70 ARG HA 70 ARG QG 4.03 &rst ixpk= 0, nxpk= 0, iat=1040, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, igr2=1045,1046, &end # # 70 ARG HA 70 ARG QD 3.48 &rst ixpk= 0, nxpk= 0, iat=1040, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, igr2=1048,1049, &end # # 70 ARG QB 71 GLU H 4.51 &rst ixpk= 0, nxpk= 0, iat= -1,1062, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr1=1042,1043, &end # # 70 ARG QG 71 GLU H 4.62 &rst ixpk= 0, nxpk= 0, iat= -1,1062, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr1=1045,1046, &end # # 70 ARG QD 71 GLU H 4.16 &rst ixpk= 0, nxpk= 0, iat= -1,1062, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, igr1=1048,1049, &end # # 71 GLU QB 77 GLN QE2 4.40 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr1=1066,1067, igr2=1161,1162, &end # # 72 VAL H 77 GLN QE2 4.53 &rst ixpk= 0, nxpk= 0, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr2=1161,1162, &end # # 72 VAL HA 77 GLN QE2 5.38 &rst ixpk= 0, nxpk= 0, iat=1079, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, igr2=1161,1162, &end # # 72 VAL QG2 77 GLN QE2 3.78 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, igr1=1087,1088,1089, igr2=1161,1162, &end # # 73 GLN H 73 GLN QB 3.64 &rst ixpk= 0, nxpk= 0, iat=1093, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, igr2=1097,1098, &end # # 73 GLN QB 73 GLN HE21 4.94 &rst ixpk= 0, nxpk= 0, iat= -1,1106, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr1=1097,1098, &end # # 73 GLN QB 74 ALA H 3.58 &rst ixpk= 0, nxpk= 0, iat= -1,1110, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, igr1=1097,1098, &end # # 73 GLN QB 75 GLU H 3.65 &rst ixpk= 0, nxpk= 0, iat= -1,1120, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, igr1=1097,1098, &end # # 73 GLN QB 76 THR H 3.45 &rst ixpk= 0, nxpk= 0, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, igr1=1097,1098, &end # # 73 GLN QB 76 THR QG2 4.12 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, igr1=1097,1098, igr2=1141,1142,1143, &end # # 77 GLN HA 77 GLN QE2 4.25 &rst ixpk= 0, nxpk= 0, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr2=1161,1162, &end # # 77 GLN QG 77 GLN QE2 3.29 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, igr1=1156,1157, igr2=1161,1162, &end # # 77 GLN QG 78 GLY QA 5.47 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39, igr1=1156,1157, igr2=1168,1169, &end # # 77 GLN QE2 78 GLY QA 4.30 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, igr1=1161,1162, igr2=1168,1169, &end # # 85 ASP QB 87 TRP H 4.79 &rst ixpk= 0, nxpk= 0, iat= -1,1310, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr1=1283,1284, &end # # 85 ASP QB 88 SER H 4.56 &rst ixpk= 0, nxpk= 0, iat= -1,1334, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, igr1=1283,1284, &end # # 87 TRP QB 87 TRP HD1 3.72 &rst ixpk= 0, nxpk= 0, iat= -1,1318, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, igr1=1314,1315, &end # # 87 TRP QB 87 TRP HE3 3.79 &rst ixpk= 0, nxpk= 0, iat= -1,1329, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, igr1=1314,1315, &end # # 87 TRP QB 88 SER H 4.16 &rst ixpk= 0, nxpk= 0, iat= -1,1334, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, igr1=1314,1315, &end # # 89 ASN HA 89 ASN QD2 4.43 &rst ixpk= 0, nxpk= 0, iat=1347, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr2=1354,1355, &end # # 89 ASN QB 89 ASN QD2 3.41 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, igr1=1349,1350, igr2=1354,1355, &end # # 99 ARG H 99 ARG QB 3.75 &rst ixpk= 0, nxpk= 0, iat=1487, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, igr2=1491,1492, &end # # 99 ARG QB 100 LYS H 3.47 &rst ixpk= 0, nxpk= 0, iat= -1,1511, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, igr1=1491,1492, &end # # 99 ARG QB 101 ARG H 4.53 &rst ixpk= 0, nxpk= 0, iat= -1,1533, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr1=1491,1492, &end # # 99 ARG QB 102 ASP H 4.27 &rst ixpk= 0, nxpk= 0, iat= -1,1557, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, igr1=1491,1492, &end # # 100 LYS H 100 LYS QG 3.61 &rst ixpk= 0, nxpk= 0, iat=1511, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, igr2=1518,1519, &end # # 100 LYS HA 100 LYS QG 3.38 &rst ixpk= 0, nxpk= 0, iat=1513, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, igr2=1518,1519, &end # # 100 LYS QG 134 VAL QG1 4.33 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr1=1518,1519, igr2=2116,2117,2118, &end # # 100 LYS QG 136 ALA H 5.01 &rst ixpk= 0, nxpk= 0, iat= -1,2140, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, igr1=1518,1519, &end # # 101 ARG H 101 ARG QB 3.69 &rst ixpk= 0, nxpk= 0, iat=1533, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, igr2=1537,1538, &end # # 101 ARG HA 101 ARG QB 2.89 &rst ixpk= 0, nxpk= 0, iat=1535, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, igr2=1537,1538, &end # # 101 ARG QB 102 ASP H 3.58 &rst ixpk= 0, nxpk= 0, iat= -1,1557, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, igr1=1537,1538, &end # # 104 GLY QA 105 SER H 2.86 &rst ixpk= 0, nxpk= 0, iat= -1,1598, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, igr1=1593,1594, &end # # 104 GLY QA 105 SER HA 5.02 &rst ixpk= 0, nxpk= 0, iat= -1,1600, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, igr1=1593,1594, &end # # 104 GLY QA 106 TYR QE 5.28 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15, igr1=1593,1594, igr2=1619,1624, &end # # 107 PHE H 107 PHE QB 3.98 &rst ixpk= 0, nxpk= 0, iat=1630, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr2=1634,1635, &end # # 107 PHE QB 108 PHE H 3.94 &rst ixpk= 0, nxpk= 0, iat= -1,1650, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, igr1=1634,1635, &end # # 107 PHE QB 129 GLN HB2 5.62 &rst ixpk= 0, nxpk= 0, iat= -1,2031, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81, igr1=1634,1635, &end # # 107 PHE QD 120 LYS QD 4.77 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, igr1=1638,1646, igr2=1875,1876, &end # # 107 PHE HZ 120 LYS QD 4.30 &rst ixpk= 0, nxpk= 0, iat=1642, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr2=1875,1876, &end # # 110 LEU H 118 SER QB 5.49 &rst ixpk= 0, nxpk= 0, iat=1694, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, igr2=1837,1838, &end # # 114 SER H 114 SER QB 3.40 &rst ixpk= 0, nxpk= 0, iat=1759, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, igr2=1763,1764, &end # # 114 SER QB 115 MET H 4.01 &rst ixpk= 0, nxpk= 0, iat= -1,1770, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr1=1763,1764, &end # # 115 MET H 115 MET QG 4.50 &rst ixpk= 0, nxpk= 0, iat=1770, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1777,1778, &end # # 115 MET QG 115 MET QE 3.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr1=1777,1778, igr2=1781,1782,1783, &end # # 115 MET QG 116 LYS H 3.99 &rst ixpk= 0, nxpk= 0, iat= -1,1787, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, igr1=1777,1778, &end # # 115 MET QG 117 TRP H 4.85 &rst ixpk= 0, nxpk= 0, iat= -1,1809, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, igr1=1777,1778, &end # # 118 SER H 118 SER QB 3.60 &rst ixpk= 0, nxpk= 0, iat=1833, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, igr2=1837,1838, &end # # 118 SER QB 120 LYS H 5.14 &rst ixpk= 0, nxpk= 0, iat= -1,1865, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, igr1=1837,1838, &end # # 118 SER QB 120 LYS HG2 4.44 &rst ixpk= 0, nxpk= 0, iat= -1,1872, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, igr1=1837,1838, &end # # 118 SER QB 120 LYS HG3 4.86 &rst ixpk= 0, nxpk= 0, iat= -1,1873, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, igr1=1837,1838, &end # # 120 LYS HB3 120 LYS QD 4.00 &rst ixpk= 0, nxpk= 0, iat=1870, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr2=1875,1876, &end # # 124 ASN QB 124 ASN HD21 3.29 &rst ixpk= 0, nxpk= 0, iat= -1,1944, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, igr1=1938,1939, &end # # 124 ASN QB 124 ASN HD22 3.66 &rst ixpk= 0, nxpk= 0, iat= -1,1943, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr1=1938,1939, &end # # 124 ASN QB 125 TYR H 4.15 &rst ixpk= 0, nxpk= 0, iat= -1,1948, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr1=1938,1939, &end # # 128 LYS H 128 LYS QB 3.61 &rst ixpk= 0, nxpk= 0, iat=2005, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, igr2=2009,2010, &end # # 128 LYS HA 128 LYS QG 3.86 &rst ixpk= 0, nxpk= 0, iat=2007, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, igr2=2012,2013, &end # # 128 LYS QB 129 GLN H 3.47 &rst ixpk= 0, nxpk= 0, iat= -1,2027, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, igr1=2009,2010, &end # # 128 LYS QG 128 LYS QE 3.42 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, igr1=2012,2013, igr2=2018,2019, &end # # 128 LYS QG 129 GLN H 4.09 &rst ixpk= 0, nxpk= 0, iat= -1,2027, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, igr1=2012,2013, &end # # 137 LEU QD1 140 GLY QA 4.71 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85, igr1=2159,2160,2161, igr2=2202,2203, &end # # 137 LEU QD2 140 GLY QA 4.85 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04, igr1=2163,2164,2165, igr2=2202,2203, &end # # 139 HIS HA 139 HIS QB 2.94 &rst ixpk= 0, nxpk= 0, iat=2185, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, igr2=2187,2188, &end # # 139 HIS QB 139 HIS HD2 3.71 &rst ixpk= 0, nxpk= 0, iat= -1,2196, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, igr1=2187,2188, &end # # 143 VAL HA 144 PRO QG 4.38 &rst ixpk= 0, nxpk= 0, iat=2239, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr2=2257,2258, &end # # 143 VAL QG1 144 PRO QG 4.44 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1=2243,2244,2245, igr2=2257,2258, &end # # 144 PRO QB 145 ARG H 3.95 &rst ixpk= 0, nxpk= 0, iat= -1,2267, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, igr1=2260,2261, &end # # 144 PRO QG 145 ARG H 4.77 &rst ixpk= 0, nxpk= 0, iat= -1,2267, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, igr1=2257,2258, &end # # 145 ARG H 145 ARG QB 3.53 &rst ixpk= 0, nxpk= 0, iat=2267, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr2=2271,2272, &end # # 145 ARG QB 145 ARG QD 3.39 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, igr1=2271,2272, igr2=2277,2278, &end # # 75 GLU HA 79 ARG HE 5.00 &rst ixpk= 0, nxpk= 0, iat=1122,1186, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 76 THR HA 79 ARG HE 4.00 &rst ixpk= 0, nxpk= 0, iat=1137,1186, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 76 THR QG2 79 ARG HE 5.00 &rst ixpk= 0, nxpk= 0, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=1141,1142,1143, &end # # 79 ARG HE 99 ARG QD 5.00 &rst ixpk= 0, nxpk= 0, iat=1186, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2=1497,1498, &end # # 79 ARG HH11 99 ARG H 5.00 &rst ixpk= 0, nxpk= 0, iat=1189,1487, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 79 ARG HH12 80 PHE QE 5.00 &rst ixpk= 0, nxpk= 0, iat=1190, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2=1207,1211, &end # # 79 ARG HH12 98 ALA QB 5.00 &rst ixpk= 0, nxpk= 0, iat=1190, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2=1481,1482,1483, &end # # 79 ARG HH12 99 ARG H 5.00 &rst ixpk= 0, nxpk= 0, iat=1190,1487, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 79 ARG HH21 99 ARG H 6.00 &rst ixpk= 0, nxpk= 0, iat=1192,1487, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 76 THR QG2 79 ARG HH22 5.00 &rst ixpk= 0, nxpk= 0, iat= -1,1193, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=1141,1142,1143, &end # # 79 ARG HH22 95 ILE QG2 6.00 &rst ixpk= 0, nxpk= 0, iat=1193, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr2=1428,1429,1430, &end # # 79 ARG HH22 99 ARG H 5.00 &rst ixpk= 0, nxpk= 0, iat=1193,1487, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 52 ARG H 53 ALA H 5.00 &rst ixpk= 0, nxpk= 0, iat= 779, 803, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 52 ARG H 55 ASP H 5.00 &rst ixpk= 0, nxpk= 0, iat= 779, 820, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 52 ARG H 55 ASP HB2 5.00 &rst ixpk= 0, nxpk= 0, iat= 779, 824, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 52 ARG H 55 ASP HB3 5.00 &rst ixpk= 0, nxpk= 0, iat= 779, 825, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 52 ARG H 63 VAL H 5.00 &rst ixpk= 0, nxpk= 0, iat= 779, 944, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 52 ARG H 107 PHE H 5.00 &rst ixpk= 0, nxpk= 0, iat= 779,1630, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 52 ARG H 107 PHE QE 6.00 &rst ixpk= 0, nxpk= 0, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2=1640,1644, &end # # 53 ALA H 105 SER H 5.00 &rst ixpk= 0, nxpk= 0, iat= 803,1598, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 53 ALA H 105 SER HB3 5.00 &rst ixpk= 0, nxpk= 0, iat= 803,1603, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 53 ALA H 107 PHE QE 5.00 &rst ixpk= 0, nxpk= 0, iat= 803, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2=1640,1644, &end # # 51 PHE HB2 55 ASP H 6.00 &rst ixpk= 0, nxpk= 0, iat= 763, 820, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 51 PHE HB3 55 ASP H 6.00 &rst ixpk= 0, nxpk= 0, iat= 764, 820, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 55 ASP H 107 PHE QD 5.00 &rst ixpk= 0, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2=1638,1646, &end # # 55 ASP H 107 PHE QE 4.00 &rst ixpk= 0, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr2=1640,1644, &end # # 55 ASP H 107 PHE HZ 5.00 &rst ixpk= 0, nxpk= 0, iat= 820,1642, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 55 ASP HB2 56 ARG H 6.00 &rst ixpk= 0, nxpk= 0, iat= 824, 832, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 55 ASP HB3 56 ARG H 6.00 &rst ixpk= 0, nxpk= 0, iat= 825, 832, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 56 ARG H 60 ASP H 6.00 &rst ixpk= 0, nxpk= 0, iat= 832, 908, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 56 ARG H 60 ASP HB3 6.00 &rst ixpk= 0, nxpk= 0, iat= 832, 913, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 56 ARG H 60 ASP HB2 6.00 &rst ixpk= 0, nxpk= 0, iat= 832, 912, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 56 ARG HA 57 PRO HG2 5.00 &rst ixpk= 0, nxpk= 0, iat= 834, 860, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 56 ARG HA 57 PRO HG3 5.00 &rst ixpk= 0, nxpk= 0, iat= 834, 861, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 51 PHE HZ 57 PRO HA 4.00 &rst ixpk= 0, nxpk= 0, iat= 771, 866, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 51 PHE HZ 57 PRO HG2 6.00 &rst ixpk= 0, nxpk= 0, iat= 771, 860, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 57 PRO HG2 107 PHE QE 5.00 &rst ixpk= 0, nxpk= 0, iat= 860, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2=1640,1644, &end # # 57 PRO HG2 107 PHE HZ 5.00 &rst ixpk= 0, nxpk= 0, iat= 860,1642, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 56 ARG QG 57 PRO HD2 6.00 &rst ixpk= 0, nxpk= 0, iat= -1, 857, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 839, 840, &end # # 57 PRO HD2 107 PHE QE 6.00 &rst ixpk= 0, nxpk= 0, iat= 857, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2=1640,1644, &end # # 57 PRO HD3 58 TYR H 5.00 &rst ixpk= 0, nxpk= 0, iat= 858, 870, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 58 TYR H 59 GLN H 4.00 &rst ixpk= 0, nxpk= 0, iat= 870, 891, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 58 TYR HB2 59 GLN H 5.00 &rst ixpk= 0, nxpk= 0, iat= 874, 891, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 57 PRO HB3 58 TYR QD 6.00 &rst ixpk= 0, nxpk= 0, iat= 864, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2= 878, 887, &end # # 56 ARG HA 59 GLN H 6.00 &rst ixpk= 0, nxpk= 0, iat= 834, 891, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 57 PRO HA 59 GLN H 5.00 &rst ixpk= 0, nxpk= 0, iat= 866, 891, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 57 PRO HB2 59 GLN H 6.00 &rst ixpk= 0, nxpk= 0, iat= 863, 891, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 56 ARG HD3 59 GLN HE21 5.00 &rst ixpk= 0, nxpk= 0, iat= 843, 904, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 56 ARG HD3 59 GLN HE22 5.00 &rst ixpk= 0, nxpk= 0, iat= 843, 903, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 58 TYR HA 60 ASP H 5.00 &rst ixpk= 0, nxpk= 0, iat= 872, 908, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 60 ASP HB2 61 ALA H 4.00 &rst ixpk= 0, nxpk= 0, iat= 912, 920, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 61 ALA H 62 PRO HD2 5.00 &rst ixpk= 0, nxpk= 0, iat= 920, 931, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 61 ALA H 62 PRO HD3 5.00 &rst ixpk= 0, nxpk= 0, iat= 920, 932, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 61 ALA H 73 GLN H 6.00 &rst ixpk= 0, nxpk= 0, iat= 920,1093, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 61 ALA H 73 GLN HA 6.00 &rst ixpk= 0, nxpk= 0, iat= 920,1095, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 61 ALA QB 62 PRO HD2 4.00 &rst ixpk= 0, nxpk= 0, iat= -1, 931, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1= 924, 925, 926, &end # # 51 PHE HZ 62 PRO HA 5.00 &rst ixpk= 0, nxpk= 0, iat= 771, 940, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 50 TRP H 62 PRO HA 6.00 &rst ixpk= 0, nxpk= 0, iat= 735, 940, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 49 TYR HB3 63 VAL H 6.00 &rst ixpk= 0, nxpk= 0, iat= 719, 944, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 12 LEU H 34 SER O 1.7 2.3 &rst ixpk= 0, nxpk= 0, iat= 164, 514, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, rk2=20, rk3=20, ir6=1, ialtd=0, &end
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