NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
604410 |
2n7b   |
25799 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 14 GLN HG3 128 LYS HB2 5.54
&rst
ixpk= 0, nxpk= 0, iat= 210,2009, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
rk2=20, rk3=20, ir6=1, ialtd=0,
&end
#
# 23 GLU HB2 100 LYS QE 3.29
&rst
ixpk= 0, nxpk= 0, iat= 353, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2=1524,1525,
&end
#
# 44 ASP HA 45 PRO QB 5.20
&rst
ixpk= 0, nxpk= 0, iat= 650, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 667, 668,
&end
#
# 6 GLN HG2 7 TYR HA 4.74
&rst
ixpk= 0, nxpk= 0, iat= 86, 98, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 12 LEU QD2 34 SER HA 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 507, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 177, 178, 179,
&end
#
# 22 GLN HG3 137 LEU H 3.34
&rst
ixpk= 0, nxpk= 0, iat= 340,2150, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 35 TYR HB2 36 PRO HD3 3.63
&rst
ixpk= 0, nxpk= 0, iat= 520, 539, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 47 HIS HE1 68 PRO HD2 4.61
&rst
ixpk= 0, nxpk= 0, iat= 699,1013, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 48 GLY HA2 108 PHE HZ 5.34
&rst
ixpk= 0, nxpk= 0, iat= 709,1662, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 50 TRP HD1 82 LEU HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 743,1238, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 115 MET HB2 116 LYS H 5.42
&rst
ixpk= 0, nxpk= 0, iat=1774,1787, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 119 TYR H 119 TYR QE 5.49
&rst
ixpk= 0, nxpk= 0, iat=1844, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2=1854,1859,
&end
#
# 13 LEU QD1 108 PHE HA 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1,1652, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 192, 193, 194,
&end
#
# 13 LEU QD2 129 GLN HA 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1,2029, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 196, 197, 198,
&end
#
# 15 VAL QG1 129 GLN HB3 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1,2032, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 225, 226, 227,
&end
#
# 15 VAL QG1 31 CYX HA 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 225, 226, 227,
&end
#
# 18 LEU QD1 21 VAL H 5.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 276, 277, 278,
&end
#
# 21 VAL H 27 VAL QG2 5.80
&rst
ixpk= 0, nxpk= 0, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2= 411, 412, 413,
&end
#
# 49 TYR QE 67 ASN H 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 998, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 724, 729,
&end
#
# 50 TRP HB2 63 VAL H 5.70
&rst
ixpk= 0, nxpk= 0, iat= 739, 944, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 51 PHE HZ 109 ARG HG2 5.20
&rst
ixpk= 0, nxpk= 0, iat= 771,1677, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 70 ARG HD2 72 VAL QG1 5.80
&rst
ixpk= 0, nxpk= 0, iat=1048, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=1083,1084,1085,
&end
#
# 7 TYR QD 122 GLN HB2 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1902, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 104, 113,
&end
#
# 83 LEU HA 83 LEU QD2 2.94
&rst
ixpk= 0, nxpk= 0, iat=1255, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1266,1267,1268,
&end
#
# 83 LEU QD1 92 SER HB2 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=1262,1263,1264,
&end
#
# 99 ARG HB2 101 ARG H 4.88
&rst
ixpk= 0, nxpk= 0, iat=1491,1533, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 103 LYS QE 134 VAL HB 2.70
&rst
ixpk= 0, nxpk= 0, iat= -1,2114, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr1=1582,1583,
&end
#
# 121 SER HA 126 LYS QD 5.30
&rst
ixpk= 0, nxpk= 0, iat=1889, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr2=1979,1980,
&end
#
# 15 VAL QG1 50 TRP HZ2 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 225, 226, 227,
&end
#
# 23 GLU HB3 23 GLU HG2 2.86
&rst
ixpk= 0, nxpk= 0, iat= 354, 356, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 25 LEU HA 98 ALA H 5.25
&rst
ixpk= 0, nxpk= 0, iat= 373,1477, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 33 PHE QE 46 VAL QG1 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 495, 499,
igr2= 680, 681, 682,
&end
#
# 35 TYR QD 115 MET HG2 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1777, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 524, 533,
&end
#
# 35 TYR QE 46 VAL HA 5.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 676, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 526, 531,
&end
#
# 49 TYR HB2 50 TRP H 5.16
&rst
ixpk= 0, nxpk= 0, iat= 718, 735, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 50 TRP HZ3 106 TYR HB2 4.04
&rst
ixpk= 0, nxpk= 0, iat= 752,1613, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 52 ARG HA 52 ARG HB3 3.25
&rst
ixpk= 0, nxpk= 0, iat= 781, 784, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 62 PRO HG2 72 VAL HA 4.93
&rst
ixpk= 0, nxpk= 0, iat= 934,1079, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 128 LYS HD2 128 LYS QE 3.21
&rst
ixpk= 0, nxpk= 0, iat=2015, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=2018,2019,
&end
#
# 13 LEU HB3 127 THR QG2 4.31
&rst
ixpk= 0, nxpk= 0, iat= 188, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=1997,1998,1999,
&end
#
# 15 VAL HA 15 VAL QG1 3.55
&rst
ixpk= 0, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2= 225, 226, 227,
&end
#
# 28 HIS HD2 30 PRO HD3 3.75
&rst
ixpk= 0, nxpk= 0, iat= 430, 452, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 56 ARG QB 59 GLN H 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 891, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 836, 837,
&end
#
# 95 ILE HA 96 ARG HA 5.42
&rst
ixpk= 0, nxpk= 0, iat=1424,1443, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 11 TYR QB 117 TRP HD1 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1817, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 147, 148,
&end
#
# 126 LYS HB2 126 LYS HG3 2.99
&rst
ixpk= 0, nxpk= 0, iat=1973,1977, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 126 LYS HG3 126 LYS QD 3.14
&rst
ixpk= 0, nxpk= 0, iat=1977, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2=1979,1980,
&end
#
# 28 HIS HE1 83 LEU HA 5.80
&rst
ixpk= 0, nxpk= 0, iat= 426,1255, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 29 VAL QG2 130 LEU QD1 2.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 444, 445, 446,
igr2=2053,2054,2055,
&end
#
# 37 GLN HE22 40 TRP HH2 5.80
&rst
ixpk= 0, nxpk= 0, iat= 563, 602, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 51 PHE QD 107 PHE QD 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 767, 775,
igr2=1638,1646,
&end
#
# 87 TRP HA 89 ASN H 5.29
&rst
ixpk= 0, nxpk= 0, iat=1312,1345, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 18 LEU QD1 132 VAL HA 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1,2076, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 276, 277, 278,
&end
#
# 22 GLN HE21 137 LEU HB3 5.51
&rst
ixpk= 0, nxpk= 0, iat= 345,2155, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 56 ARG H 59 GLN QG 5.80
&rst
ixpk= 0, nxpk= 0, iat= 832, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2= 898, 899,
&end
#
# 61 ALA QB 71 GLU HG3 3.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1070, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr1= 924, 925, 926,
&end
#
# 8 GLY HA2 117 TRP HZ2 4.86
&rst
ixpk= 0, nxpk= 0, iat= 119,1822, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 90 ASP H 91 CYX QB 5.80
&rst
ixpk= 0, nxpk= 0, iat=1359, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=1375,1376,
&end
#
# 103 LYS HA 132 VAL HB 3.40
&rst
ixpk= 0, nxpk= 0, iat=1571,2078, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &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
#
# 136 ALA HA 137 LEU HA 5.51
&rst
ixpk= 0, nxpk= 0, iat=2142,2152, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 15 VAL QG2 50 TRP HZ3 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 752, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 229, 230, 231,
&end
#
# 22 GLN HG2 137 LEU H 4.90
&rst
ixpk= 0, nxpk= 0, iat= 339,2150, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 65 THR HB 72 VAL QG1 3.79
&rst
ixpk= 0, nxpk= 0, iat= 974, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1083,1084,1085,
&end
#
# 6 GLN HG3 7 TYR H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 87, 96, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 81 GLN H 83 LEU QD2 5.27
&rst
ixpk= 0, nxpk= 0, iat=1217, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2=1266,1267,1268,
&end
#
# 98 ALA QB 100 LYS QE 5.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.51, r4= 8.01,
igr1=1481,1482,1483,
igr2=1524,1525,
&end
#
# 102 ASP HB2 106 TYR QE 5.51
&rst
ixpk= 0, nxpk= 0, iat=1561, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2=1619,1624,
&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
#
# 109 ARG HA 110 LEU HB2 5.33
&rst
ixpk= 0, nxpk= 0, iat=1672,1698, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 124 ASN HA 126 LYS QE 4.54
&rst
ixpk= 0, nxpk= 0, iat=1936, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1982,1983,
&end
#
# 12 LEU HG 14 GLN HE21 4.42
&rst
ixpk= 0, nxpk= 0, iat= 171, 215, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 12 LEU QD2 33 PHE HB2 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 489, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 177, 178, 179,
&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
#
# 24 GLY H 134 VAL QG2 5.80
&rst
ixpk= 0, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=2120,2121,2122,
&end
#
# 49 TYR HB2 51 PHE HZ 4.79
&rst
ixpk= 0, nxpk= 0, iat= 718, 771, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 49 TYR QD 62 PRO HB2 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 937, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 722, 731,
&end
#
# 49 TYR QD 62 PRO HB3 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 938, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 722, 731,
&end
#
# 79 ARG HA 95 ILE QG2 5.34
&rst
ixpk= 0, nxpk= 0, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr2=1428,1429,1430,
&end
#
# 80 PHE QE 98 ALA QB 5.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.71, r4= 8.21,
igr1=1207,1211,
igr2=1481,1482,1483,
&end
#
# 127 THR HA 128 LYS HB3 5.66
&rst
ixpk= 0, nxpk= 0, iat=1993,2010, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 13 LEU HA 33 PHE HA 3.89
&rst
ixpk= 0, nxpk= 0, iat= 185, 487, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 16 GLN H 16 GLN QG 4.77
&rst
ixpk= 0, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 242, 243,
&end
#
# 20 THR HA 27 VAL QG2 5.80
&rst
ixpk= 0, nxpk= 0, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2= 411, 412, 413,
&end
#
# 26 SER HA 27 VAL QG2 5.80
&rst
ixpk= 0, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2= 411, 412, 413,
&end
#
# 35 TYR H 89 ASN HD21 5.41
&rst
ixpk= 0, nxpk= 0, iat= 516,1355, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 42 ASP HB3 43 SER HA 5.28
&rst
ixpk= 0, nxpk= 0, iat= 630, 639, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 50 TRP HZ2 93 LEU HB2 5.30
&rst
ixpk= 0, nxpk= 0, iat= 748,1396, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 73 GLN HB2 73 GLN HG3 3.11
&rst
ixpk= 0, nxpk= 0, iat=1097,1101, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 80 PHE HZ 132 VAL HB 5.65
&rst
ixpk= 0, nxpk= 0, iat=1209,2078, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, &end
#
# 86 ILE QD1 87 TRP H 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1,1310, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1304,1305,1306,
&end
#
# 89 ASN H 89 ASN HD21 5.80
&rst
ixpk= 0, nxpk= 0, iat=1345,1355, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 90 ASP HB2 91 CYX H 4.77
&rst
ixpk= 0, nxpk= 0, iat=1363,1371, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 100 LYS QB 100 LYS QD 2.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr1=1515,1516,
igr2=1521,1522,
&end
#
# 142 LEU HB2 143 VAL QG2 5.22
&rst
ixpk= 0, nxpk= 0, iat=2222, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2=2247,2248,2249,
&end
#
# 143 VAL QG2 145 ARG QG 5.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1=2247,2248,2249,
igr2=2274,2275,
&end
#
# 14 GLN H 14 GLN HE21 5.80
&rst
ixpk= 0, nxpk= 0, iat= 202, 215, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 23 GLU HG2 98 ALA QB 5.60
&rst
ixpk= 0, nxpk= 0, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1481,1482,1483,
&end
#
# 29 VAL QG2 93 LEU QD1 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
igr1= 444, 445, 446,
igr2=1401,1402,1403,
&end
#
# 35 TYR HA 36 PRO HD3 3.46
&rst
ixpk= 0, nxpk= 0, iat= 518, 539, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 48 GLY HA3 108 PHE HZ 5.54
&rst
ixpk= 0, nxpk= 0, iat= 710,1662, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 83 LEU QD1 92 SER HB3 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1386, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=1262,1263,1264,
&end
#
# 110 LEU HB3 115 MET QE 5.80
&rst
ixpk= 0, nxpk= 0, iat=1699, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=1781,1782,1783,
&end
#
# 126 LYS HB2 126 LYS HG2 3.09
&rst
ixpk= 0, nxpk= 0, iat=1973,1976, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 134 VAL HA 134 VAL QG1 3.12
&rst
ixpk= 0, nxpk= 0, iat=2112, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2=2116,2117,2118,
&end
#
# 21 VAL QG1 103 LYS HA 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1571, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 322, 323, 324,
&end
#
# 21 VAL QG2 134 VAL HA 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1,2112, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 326, 327, 328,
&end
#
# 35 TYR QD 115 MET QE 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 524, 533,
igr2=1781,1782,1783,
&end
#
# 46 VAL HA 112 ARG HA 5.17
&rst
ixpk= 0, nxpk= 0, iat= 676,1730, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 50 TRP HA 51 PHE QD 4.92
&rst
ixpk= 0, nxpk= 0, iat= 737, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 767, 775,
&end
#
# 51 PHE QD 57 PRO HG2 5.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 767, 775,
&end
#
# 62 PRO HB2 64 ALA H 3.53
&rst
ixpk= 0, nxpk= 0, iat= 937, 960, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 63 VAL QG1 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= 950, 951, 952,
&end
#
# 6 GLN HB3 9 ASP HA 4.06
&rst
ixpk= 0, nxpk= 0, iat= 84, 126, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 6 GLN HG2 7 TYR H 3.68
&rst
ixpk= 0, nxpk= 0, iat= 86, 96, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &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
#
# 96 ARG QB 98 ALA H 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1=1445,1446,
&end
#
# 97 ASP HB3 99 ARG HG3 5.49
&rst
ixpk= 0, nxpk= 0, iat=1470,1495, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 98 ALA HA 99 ARG HB2 4.85
&rst
ixpk= 0, nxpk= 0, iat=1479,1491, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 9 ASP HA 12 LEU QD1 4.97
&rst
ixpk= 0, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 173, 174, 175,
&end
#
# 107 PHE QD 119 TYR H 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1844, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1638,1646,
&end
#
# 137 LEU HB3 137 LEU QD2 2.87
&rst
ixpk= 0, nxpk= 0, iat=2155, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr2=2163,2164,2165,
&end
#
# 142 LEU HB2 142 LEU QD1 3.08
&rst
ixpk= 0, nxpk= 0, iat=2222, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=2227,2228,2229,
&end
#
# 16 GLN HB2 29 VAL QG2 5.03
&rst
ixpk= 0, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 444, 445, 446,
&end
#
# 35 TYR H 89 ASN HD22 4.99
&rst
ixpk= 0, nxpk= 0, iat= 516,1354, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 49 TYR QD 66 ASN H 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 984, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 722, 731,
&end
#
# 49 TYR QD 70 ARG HE 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1051, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 722, 731,
&end
#
# 51 PHE QE 108 PHE HA 5.72
&rst
ixpk= 0, nxpk= 0, iat= -1,1652, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1= 769, 773,
&end
#
# 58 TYR HB2 59 GLN HA 5.23
&rst
ixpk= 0, nxpk= 0, iat= 874, 893, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 62 PRO HG2 65 THR H 5.30
&rst
ixpk= 0, nxpk= 0, iat= 934, 970, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 63 VAL HB 80 PHE QD 3.73
&rst
ixpk= 0, nxpk= 0, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1205,1213,
&end
#
# 6 GLN HG3 124 ASN HB3 5.80
&rst
ixpk= 0, nxpk= 0, iat= 87,1939, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 103 LYS HA 103 LYS QE 4.78
&rst
ixpk= 0, nxpk= 0, iat=1571, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1582,1583,
&end
#
# 108 PHE H 119 TYR HB2 4.88
&rst
ixpk= 0, nxpk= 0, iat=1650,1848, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 109 ARG HA 119 TYR H 4.94
&rst
ixpk= 0, nxpk= 0, iat=1672,1844, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 12 LEU H 33 PHE HA 5.80
&rst
ixpk= 0, nxpk= 0, iat= 164, 487, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 137 LEU HG 138 THR HA 4.58
&rst
ixpk= 0, nxpk= 0, iat=2157,2171, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 13 LEU HB3 15 VAL HB 5.80
&rst
ixpk= 0, nxpk= 0, iat= 188, 223, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 22 GLN HG3 137 LEU HB2 5.21
&rst
ixpk= 0, nxpk= 0, iat= 340,2154, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 22 GLN HG3 137 LEU HG 5.52
&rst
ixpk= 0, nxpk= 0, iat= 340,2157, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 56 ARG QB 57 PRO HD2 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 857, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 836, 837,
&end
#
# 63 VAL HA 72 VAL HB 4.08
&rst
ixpk= 0, nxpk= 0, iat= 946,1081, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 103 LYS HB3 134 VAL HB 3.76
&rst
ixpk= 0, nxpk= 0, iat=1574,2114, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 137 LEU HB2 137 LEU QD1 3.07
&rst
ixpk= 0, nxpk= 0, iat=2154, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2=2159,2160,2161,
&end
#
# 16 GLN HB3 19 VAL QG2 3.32
&rst
ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2= 296, 297, 298,
&end
#
# 23 GLU HG2 134 VAL QG1 4.39
&rst
ixpk= 0, nxpk= 0, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=2116,2117,2118,
&end
#
# 33 PHE H 89 ASN HB3 4.04
&rst
ixpk= 0, nxpk= 0, iat= 485,1350, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 46 VAL QG2 47 HIS HA 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1= 684, 685, 686,
&end
#
# 47 HIS HA 110 LEU QD1 5.80
&rst
ixpk= 0, nxpk= 0, iat= 692, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=1703,1704,1705,
&end
#
# 50 TRP HH2 130 LEU HB2 4.31
&rst
ixpk= 0, nxpk= 0, iat= 750,2048, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 72 VAL HA 72 VAL QG1 3.16
&rst
ixpk= 0, nxpk= 0, iat=1079, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=1083,1084,1085,
&end
#
# 99 ARG H 99 ARG HG2 4.24
&rst
ixpk= 0, nxpk= 0, iat=1487,1494, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 100 LYS QE 134 VAL QG2 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=1524,1525,
igr2=2120,2121,2122,
&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
#
# 10 GLY HA3 12 LEU QD2 5.78
&rst
ixpk= 0, nxpk= 0, iat= 139, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr2= 177, 178, 179,
&end
#
# 121 SER HB3 127 THR QG2 5.01
&rst
ixpk= 0, nxpk= 0, iat=1892, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=1997,1998,1999,
&end
#
# 141 SER HA 143 VAL H 5.37
&rst
ixpk= 0, nxpk= 0, iat=2209,2237, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 22 GLN HA 134 VAL QG1 4.01
&rst
ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=2116,2117,2118,
&end
#
# 23 GLU HG2 100 LYS QE 5.28
&rst
ixpk= 0, nxpk= 0, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1524,1525,
&end
#
# 33 PHE QE 35 TYR QE 3.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1= 495, 499,
igr2= 526, 531,
&end
#
# 36 PRO HB2 38 ASP HA 5.43
&rst
ixpk= 0, nxpk= 0, iat= 544, 570, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 41 THR HB 42 ASP HB3 5.80
&rst
ixpk= 0, nxpk= 0, iat= 615, 630, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 57 PRO HA 107 PHE HZ 5.58
&rst
ixpk= 0, nxpk= 0, iat= 866,1642, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 5 ARG HA 5 ARG HG2 3.94
&rst
ixpk= 0, nxpk= 0, iat= 57, 62, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 62 PRO HG2 72 VAL QG1 4.81
&rst
ixpk= 0, nxpk= 0, iat= 934, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=1083,1084,1085,
&end
#
# 99 ARG HA 100 LYS QD 5.49
&rst
ixpk= 0, nxpk= 0, iat=1489, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2=1521,1522,
&end
#
# 99 ARG HA 101 ARG QG 5.80
&rst
ixpk= 0, nxpk= 0, iat=1489, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=1540,1541,
&end
#
# 99 ARG HA 134 VAL HB 5.80
&rst
ixpk= 0, nxpk= 0, iat=1489,2114, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 11 TYR H 12 LEU QD1 4.46
&rst
ixpk= 0, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 173, 174, 175,
&end
#
# 11 TYR QE 117 TRP H 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1809, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 153, 158,
&end
#
# 137 LEU HA 137 LEU HB3 2.96
&rst
ixpk= 0, nxpk= 0, iat=2152,2155, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 143 VAL H 144 PRO HD2 5.22
&rst
ixpk= 0, nxpk= 0, iat=2237,2254, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 17 GLU HB2 18 LEU HA 5.11
&rst
ixpk= 0, nxpk= 0, iat= 256, 269, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 19 VAL HB 95 ILE QD1 4.72
&rst
ixpk= 0, nxpk= 0, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1435,1436,1437,
&end
#
# 25 LEU HG 27 VAL QG1 5.57
&rst
ixpk= 0, nxpk= 0, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr2= 407, 408, 409,
&end
#
# 33 PHE QE 110 LEU HA 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1696, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 495, 499,
&end
#
# 36 PRO HA 40 TRP HE1 5.67
&rst
ixpk= 0, nxpk= 0, iat= 547, 597, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 47 HIS HD2 67 ASN HB2 5.10
&rst
ixpk= 0, nxpk= 0, iat= 703,1002, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 47 HIS HD2 82 LEU QD2 5.43
&rst
ixpk= 0, nxpk= 0, iat= 703, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2=1247,1248,1249,
&end
#
# 64 ALA QB 81 GLN HA 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1219, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 964, 965, 966,
&end
#
# 11 TYR H 36 PRO HG3 5.80
&rst
ixpk= 0, nxpk= 0, iat= 143, 542, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 29 VAL H 30 PRO HD3 4.74
&rst
ixpk= 0, nxpk= 0, iat= 434, 452, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 38 ASP HA 40 TRP HE1 5.23
&rst
ixpk= 0, nxpk= 0, iat= 570, 597, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 39 GLY HA3 115 MET QE 5.06
&rst
ixpk= 0, nxpk= 0, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2=1781,1782,1783,
&end
#
# 43 SER HA 87 TRP HZ3 4.98
&rst
ixpk= 0, nxpk= 0, iat= 639,1327, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 49 TYR HB2 109 ARG HG3 5.16
&rst
ixpk= 0, nxpk= 0, iat= 718,1678, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 57 PRO HG2 107 PHE QE 4.60
&rst
ixpk= 0, nxpk= 0, iat= 860, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1640,1644,
&end
#
# 6 GLN HE21 125 TYR QE 5.80
&rst
ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=1958,1963,
&end
#
# 6 GLN HE21 7 TYR QD 5.74
&rst
ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2= 104, 113,
&end
#
# 73 GLN HG3 74 ALA H 5.80
&rst
ixpk= 0, nxpk= 0, iat=1101,1110, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 73 GLN HG3 75 GLU H 5.80
&rst
ixpk= 0, nxpk= 0, iat=1101,1120, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 102 ASP H 132 VAL QG1 5.80
&rst
ixpk= 0, nxpk= 0, iat=1557, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=2080,2081,2082,
&end
#
# 107 PHE HA 129 GLN HB3 5.19
&rst
ixpk= 0, nxpk= 0, iat=1632,2032, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 111 GLU QG 117 TRP H 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1809, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=1720,1721,
&end
#
# 115 MET HG3 116 LYS H 4.69
&rst
ixpk= 0, nxpk= 0, iat=1778,1787, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 130 LEU HB2 130 LEU QD1 3.94
&rst
ixpk= 0, nxpk= 0, iat=2048, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=2053,2054,2055,
&end
#
# 132 VAL QG1 133 PHE HB2 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1,2094, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2080,2081,2082,
&end
#
# 23 GLU HG2 137 LEU QD2 4.12
&rst
ixpk= 0, nxpk= 0, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=2163,2164,2165,
&end
#
# 23 GLU HG3 100 LYS H 5.20
&rst
ixpk= 0, nxpk= 0, iat= 357,1511, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 31 CYX H 93 LEU H 4.30
&rst
ixpk= 0, nxpk= 0, iat= 464,1392, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 33 PHE HZ 89 ASN HB3 5.80
&rst
ixpk= 0, nxpk= 0, iat= 497,1350, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 45 PRO HG2 87 TRP HH2 5.32
&rst
ixpk= 0, nxpk= 0, iat= 664,1325, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 46 VAL HB 86 ILE HB 5.13
&rst
ixpk= 0, nxpk= 0, iat= 678,1295, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 53 ALA H 105 SER HA 5.24
&rst
ixpk= 0, nxpk= 0, iat= 803,1600, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 62 PRO HG2 65 THR HB 4.52
&rst
ixpk= 0, nxpk= 0, iat= 934, 974, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 79 ARG HH12 97 ASP HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat=1190,1469, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 103 LYS HA 103 LYS HB3 3.30
&rst
ixpk= 0, nxpk= 0, iat=1571,1574, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 105 SER H 106 TYR HH 5.80
&rst
ixpk= 0, nxpk= 0, iat=1598,1622, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 123 LEU QD2 125 TYR H 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1948, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1=1928,1929,1930,
&end
#
# 125 TYR QE 126 LYS HA 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1971, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1958,1963,
&end
#
# 137 LEU HA 139 HIS HD2 4.67
&rst
ixpk= 0, nxpk= 0, iat=2152,2196, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 30 PRO HB3 92 SER HB3 5.18
&rst
ixpk= 0, nxpk= 0, iat= 458,1386, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 40 TRP HH2 42 ASP HB2 5.76
&rst
ixpk= 0, nxpk= 0, iat= 602, 629, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end
#
# 49 TYR HB3 62 PRO HB3 4.83
&rst
ixpk= 0, nxpk= 0, iat= 719, 938, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 50 TRP HD1 93 LEU HB2 3.98
&rst
ixpk= 0, nxpk= 0, iat= 743,1396, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 51 PHE HB2 107 PHE QE 3.28
&rst
ixpk= 0, nxpk= 0, iat= 763, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2=1640,1644,
&end
#
# 65 THR H 82 LEU QD1 4.64
&rst
ixpk= 0, nxpk= 0, iat= 970, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1243,1244,1245,
&end
#
# 77 GLN HE22 78 GLY HA3 5.27
&rst
ixpk= 0, nxpk= 0, iat=1161,1169, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 7 TYR QD 122 GLN H 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1898, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 104, 113,
&end
#
# 80 PHE QD 93 LEU HG 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1399, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=1205,1213,
&end
#
# 83 LEU QD1 93 LEU HA 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1,1394, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1=1262,1263,1264,
&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
#
# 101 ARG HB2 101 ARG QG 3.31
&rst
ixpk= 0, nxpk= 0, iat=1537, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2=1540,1541,
&end
#
# 106 TYR QE 130 LEU HG 5.56
&rst
ixpk= 0, nxpk= 0, iat= -1,2051, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=1619,1624,
&end
#
# 111 GLU QG 116 LYS QE 5.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1=1720,1721,
igr2=1800,1801,
&end
#
# 117 TRP HE1 119 TYR HB3 5.32
&rst
ixpk= 0, nxpk= 0, iat=1819,1849, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 132 VAL QG1 133 PHE H 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1,2090, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1=2080,2081,2082,
&end
#
# 144 PRO HB2 145 ARG HA 4.95
&rst
ixpk= 0, nxpk= 0, iat=2260,2269, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 18 LEU HA 133 PHE HB2 5.54
&rst
ixpk= 0, nxpk= 0, iat= 269,2094, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 23 GLU HB2 99 ARG HA 4.59
&rst
ixpk= 0, nxpk= 0, iat= 353,1489, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 23 GLU HG2 99 ARG HA 4.72
&rst
ixpk= 0, nxpk= 0, iat= 356,1489, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 29 VAL HB 30 PRO HD3 5.42
&rst
ixpk= 0, nxpk= 0, iat= 438, 452, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 45 PRO HG2 47 HIS HE1 3.52
&rst
ixpk= 0, nxpk= 0, iat= 664, 699, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 45 PRO QB 47 HIS HE1 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 667, 668,
&end
#
# 47 HIS HA 86 ILE QG2 4.95
&rst
ixpk= 0, nxpk= 0, iat= 692, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=1297,1298,1299,
&end
#
# 48 GLY HA3 109 ARG H 5.48
&rst
ixpk= 0, nxpk= 0, iat= 710,1670, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 49 TYR QE 62 PRO HD3 5.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 932, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 724, 729,
&end
#
# 5 ARG HG3 6 GLN H 4.09
&rst
ixpk= 0, nxpk= 0, iat= 63, 79, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 67 ASN HB3 70 ARG HB2 5.45
&rst
ixpk= 0, nxpk= 0, iat=1003,1042, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 85 ASP H 90 ASP HA 5.31
&rst
ixpk= 0, nxpk= 0, iat=1279,1361, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 12 LEU HA 13 LEU HB2 5.34
&rst
ixpk= 0, nxpk= 0, iat= 166, 187, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 31 CYX HB3 50 TRP HH2 5.20
&rst
ixpk= 0, nxpk= 0, iat= 469, 750, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 35 TYR QE 46 VAL QG1 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 526, 531,
igr2= 680, 681, 682,
&end
#
# 45 PRO QB 87 TRP HZ3 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1327, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 667, 668,
&end
#
# 50 TRP HB2 64 ALA QB 3.94
&rst
ixpk= 0, nxpk= 0, iat= 739, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 964, 965, 966,
&end
#
# 50 TRP HE3 108 PHE HA 5.18
&rst
ixpk= 0, nxpk= 0, iat= 754,1652, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 50 TRP HH2 93 LEU HB3 5.51
&rst
ixpk= 0, nxpk= 0, iat= 750,1397, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 51 PHE HA 63 VAL H 3.98
&rst
ixpk= 0, nxpk= 0, iat= 761, 944, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 64 ALA HA 72 VAL HB 4.99
&rst
ixpk= 0, nxpk= 0, iat= 962,1081, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 79 ARG HH22 95 ILE QG2 5.08
&rst
ixpk= 0, nxpk= 0, iat=1193, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2=1428,1429,1430,
&end
#
# 82 LEU QD1 108 PHE HZ 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1662, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1=1243,1244,1245,
&end
#
# 10 GLY HA3 12 LEU QD1 4.47
&rst
ixpk= 0, nxpk= 0, iat= 139, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 173, 174, 175,
&end
#
# 115 MET HA 116 LYS HA 5.20
&rst
ixpk= 0, nxpk= 0, iat=1772,1789, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 128 LYS HA 128 LYS QE 3.69
&rst
ixpk= 0, nxpk= 0, iat=2007, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=2018,2019,
&end
#
# 23 GLU H 23 GLU HG2 4.92
&rst
ixpk= 0, nxpk= 0, iat= 349, 356, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 46 VAL QG2 87 TRP HH2 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1325, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1= 684, 685, 686,
&end
#
# 4 ASP HA 5 ARG HG2 3.90
&rst
ixpk= 0, nxpk= 0, iat= 45, 62, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 51 PHE HA 62 PRO HA 4.15
&rst
ixpk= 0, nxpk= 0, iat= 761, 940, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 52 ARG HG2 63 VAL QG1 3.08
&rst
ixpk= 0, nxpk= 0, iat= 786, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 950, 951, 952,
&end
#
# 63 VAL QG1 73 GLN HB3 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1098, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 950, 951, 952,
&end
#
# 72 VAL QG2 77 GLN HE21 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1162, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1=1087,1088,1089,
&end
#
# 79 ARG HB3 80 PHE QD 4.21
&rst
ixpk= 0, nxpk= 0, iat=1178, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1205,1213,
&end
#
# 81 GLN HA 81 GLN HG2 3.95
&rst
ixpk= 0, nxpk= 0, iat=1219,1224, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &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
#
# 108 PHE HB3 119 TYR HB2 4.86
&rst
ixpk= 0, nxpk= 0, iat=1655,1848, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 126 LYS HG2 126 LYS QD 3.04
&rst
ixpk= 0, nxpk= 0, iat=1976, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr2=1979,1980,
&end
#
# 126 LYS HG2 126 LYS QE 3.01
&rst
ixpk= 0, nxpk= 0, iat=1976, -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
igr2=1982,1983,
&end
#
# 135 THR H 135 THR QG2 2.89
&rst
ixpk= 0, nxpk= 0, iat=2126, -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr2=2132,2133,2134,
&end
#
# 13 LEU QD2 15 VAL QG2 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 196, 197, 198,
igr2= 229, 230, 231,
&end
#
# 20 THR QG2 133 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= 308, 309, 310,
igr2=2098,2106,
&end
#
# 22 GLN QB 25 LEU QD2 3.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 336, 337,
igr2= 384, 385, 386,
&end
#
# 23 GLU HG2 24 GLY H 3.97
&rst
ixpk= 0, nxpk= 0, iat= 356, 364, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 26 SER HB3 96 ARG QD 5.14
&rst
ixpk= 0, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2=1451,1452,
&end
#
# 29 VAL QG1 130 LEU QD2 2.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 440, 441, 442,
igr2=2057,2058,2059,
&end
#
# 32 SER HA 91 CYX HA 5.72
&rst
ixpk= 0, nxpk= 0, iat= 476,1373, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, &end
#
# 49 TYR QE 70 ARG HE 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1,1051, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 724, 729,
&end
#
# 52 ARG HA 106 TYR HB3 5.21
&rst
ixpk= 0, nxpk= 0, iat= 781,1614, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 5 ARG HG2 5 ARG QD 2.86
&rst
ixpk= 0, nxpk= 0, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
igr2= 65, 66,
&end
#
# 66 ASN HB3 86 ILE QD1 5.04
&rst
ixpk= 0, nxpk= 0, iat= 989, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1304,1305,1306,
&end
#
# 67 ASN H 68 PRO HD2 5.09
&rst
ixpk= 0, nxpk= 0, iat= 998,1013, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 101 ARG H 101 ARG QD 5.68
&rst
ixpk= 0, nxpk= 0, iat=1533, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2=1543,1544,
&end
#
# 101 ARG QG 102 ASP H 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1557, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1=1540,1541,
&end
#
# 102 ASP H 103 LYS HB3 4.30
&rst
ixpk= 0, nxpk= 0, iat=1557,1574, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 132 VAL QG1 133 PHE HA 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1,2092, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1=2080,2081,2082,
&end
#
# 13 LEU HA 34 SER H 4.86
&rst
ixpk= 0, nxpk= 0, iat= 185, 505, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 21 VAL QG2 27 VAL QG1 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 326, 327, 328,
igr2= 407, 408, 409,
&end
#
# 22 GLN HE21 138 THR QG2 5.58
&rst
ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr2=2175,2176,2177,
&end
#
# 33 PHE HA 33 PHE QD 4.22
&rst
ixpk= 0, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 493, 501,
&end
#
# 39 GLY HA3 115 MET HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 583,1777, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 TYR QE 70 ARG HB2 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1,1042, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 724, 729,
&end
#
# 49 TYR QE 70 ARG HG3 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 724, 729,
&end
#
# 50 TRP HB2 50 TRP HE1 5.56
&rst
ixpk= 0, nxpk= 0, iat= 739, 745, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 50 TRP HE3 130 LEU HB3 5.11
&rst
ixpk= 0, nxpk= 0, iat= 754,2049, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 50 TRP HH2 108 PHE HA 5.70
&rst
ixpk= 0, nxpk= 0, iat= 750,1652, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 50 TRP HZ3 106 TYR HB3 4.20
&rst
ixpk= 0, nxpk= 0, iat= 752,1614, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 63 VAL HB 93 LEU QD1 5.22
&rst
ixpk= 0, nxpk= 0, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2=1401,1402,1403,
&end
#
# 6 GLN HG2 7 TYR QD 4.70
&rst
ixpk= 0, nxpk= 0, iat= 86, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 104, 113,
&end
#
# 92 SER HA 93 LEU QD2 5.80
&rst
ixpk= 0, nxpk= 0, iat=1383, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=1405,1406,1407,
&end
#
# 99 ARG QD 100 LYS H 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1511, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1497,1498,
&end
#
# 99 ARG QD 101 ARG H 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1533, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1497,1498,
&end
#
# 100 LYS HA 103 LYS HB3 4.02
&rst
ixpk= 0, nxpk= 0, iat=1513,1574, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 102 ASP H 103 LYS HG2 6.00
&rst
ixpk= 0, nxpk= 0, iat=1557,1576, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 103 LYS HA 133 PHE H 5.80
&rst
ixpk= 0, nxpk= 0, iat=1571,2090, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 11 TYR QE 117 TRP HD1 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1817, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 153, 158,
&end
#
# 137 LEU QD1 139 HIS HD2 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1,2196, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=2159,2160,2161,
&end
#
# 28 HIS HD2 30 PRO HB3 4.77
&rst
ixpk= 0, nxpk= 0, iat= 430, 458, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 32 SER HA 33 PHE QE 4.90
&rst
ixpk= 0, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 495, 499,
&end
#
# 36 PRO HB3 38 ASP HB2 4.69
&rst
ixpk= 0, nxpk= 0, iat= 545, 572, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 46 VAL QG2 87 TRP HA 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1312, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 684, 685, 686,
&end
#
# 47 HIS HE1 67 ASN HD22 4.50
&rst
ixpk= 0, nxpk= 0, iat= 699,1007, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 51 PHE QD 107 PHE HZ 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1642, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 767, 775,
&end
#
# 53 ALA QB 129 GLN HB2 5.72
&rst
ixpk= 0, nxpk= 0, iat= -1,2031, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1= 807, 808, 809,
&end
#
# 53 ALA QB 129 GLN HE22 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,2039, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 807, 808, 809,
&end
#
# 58 TYR QD 59 GLN H 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 891, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 878, 887,
&end
#
# 63 VAL QG2 64 ALA QB 3.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 954, 955, 956,
igr2= 964, 965, 966,
&end
#
# 64 ALA H 80 PHE QD 5.38
&rst
ixpk= 0, nxpk= 0, iat= 960, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=1205,1213,
&end
#
# 79 ARG HG2 80 PHE QD 6.00
&rst
ixpk= 0, nxpk= 0, iat=1180, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1205,1213,
&end
#
# 83 LEU HB3 84 GLY H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1258,1272, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 95 ILE HA 95 ILE HG12 4.00
&rst
ixpk= 0, nxpk= 0, iat=1424,1432, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 98 ALA QB 132 VAL QG1 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1481,1482,1483,
igr2=2080,2081,2082,
&end
#
# 102 ASP HB2 134 VAL QG2 4.46
&rst
ixpk= 0, nxpk= 0, iat=1561, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=2120,2121,2122,
&end
#
# 103 LYS HG2 103 LYS QE 3.42
&rst
ixpk= 0, nxpk= 0, iat=1576, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=1582,1583,
&end
#
# 137 LEU QD1 139 HIS HA 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1,2185, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1=2159,2160,2161,
&end
#
# 142 LEU HA 142 LEU HG 3.30
&rst
ixpk= 0, nxpk= 0, iat=2220,2225, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 144 PRO HD2 145 ARG QG 5.80
&rst
ixpk= 0, nxpk= 0, iat=2254, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=2274,2275,
&end
#
# 17 GLU HB2 131 SER HB2 5.80
&rst
ixpk= 0, nxpk= 0, iat= 256,2067, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &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
#
# 27 VAL HB 95 ILE HB 4.78
&rst
ixpk= 0, nxpk= 0, iat= 405,1426, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 48 GLY HA2 109 ARG H 5.02
&rst
ixpk= 0, nxpk= 0, iat= 709,1670, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 52 ARG HB2 55 ASP H 5.60
&rst
ixpk= 0, nxpk= 0, iat= 783, 820, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 52 ARG HB3 106 TYR QE 4.50
&rst
ixpk= 0, nxpk= 0, iat= 784, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1619,1624,
&end
#
# 56 ARG QB 57 PRO HD3 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 836, 837,
&end
#
# 57 PRO HB3 107 PHE HZ 4.94
&rst
ixpk= 0, nxpk= 0, iat= 864,1642, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 59 GLN H 60 ASP H 4.25
&rst
ixpk= 0, nxpk= 0, iat= 891, 908, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 62 PRO HA 73 GLN HG3 5.67
&rst
ixpk= 0, nxpk= 0, iat= 940,1101, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 67 ASN HA 68 PRO HB3 5.30
&rst
ixpk= 0, nxpk= 0, iat=1000,1020, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 77 GLN QG 78 GLY HA3 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1169, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=1156,1157,
&end
#
# 79 ARG HE 99 ARG HG3 5.32
&rst
ixpk= 0, nxpk= 0, iat=1186,1495, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 7 TYR QE 122 GLN H 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1898, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 106, 111,
&end
#
# 95 ILE HG12 102 ASP HB2 5.63
&rst
ixpk= 0, nxpk= 0, iat=1432,1561, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 100 LYS QD 134 VAL QG2 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=1521,1522,
igr2=2120,2121,2122,
&end
#
# 106 TYR HA 107 PHE QD 4.58
&rst
ixpk= 0, nxpk= 0, iat=1611, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1638,1646,
&end
#
# 10 GLY H 12 LEU QD1 3.91
&rst
ixpk= 0, nxpk= 0, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 173, 174, 175,
&end
#
# 135 THR HB 136 ALA H 4.59
&rst
ixpk= 0, nxpk= 0, iat=2130,2140, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 13 LEU QD2 33 PHE HA 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 196, 197, 198,
&end
#
# 14 GLN HA 15 VAL QG1 4.10
&rst
ixpk= 0, nxpk= 0, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 225, 226, 227,
&end
#
# 28 HIS HA 29 VAL HB 5.29
&rst
ixpk= 0, nxpk= 0, iat= 419, 438, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 35 TYR QD 119 TYR HH 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1,1857, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 524, 533,
&end
#
# 40 TRP HE1 115 MET HB2 5.29
&rst
ixpk= 0, nxpk= 0, iat= 597,1774, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 42 ASP HA 42 ASP HB2 3.06
&rst
ixpk= 0, nxpk= 0, iat= 627, 629, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 50 TRP HZ2 92 SER HA 4.67
&rst
ixpk= 0, nxpk= 0, iat= 748,1383, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 62 PRO HB3 65 THR HB 4.87
&rst
ixpk= 0, nxpk= 0, iat= 938, 974, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 6 GLN HE22 10 GLY H 5.09
&rst
ixpk= 0, nxpk= 0, iat= 91, 136, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 7 TYR H 124 ASN HD21 4.68
&rst
ixpk= 0, nxpk= 0, iat= 96,1944, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 80 PHE QE 132 VAL QG2 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1207,1211,
igr2=2084,2085,2086,
&end
#
# 82 LEU QD2 91 CYX HA 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1,1373, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1=1247,1248,1249,
&end
#
# 84 GLY HA2 85 ASP H 3.77
&rst
ixpk= 0, nxpk= 0, iat=1274,1279, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 85 ASP H 86 ILE HA 5.67
&rst
ixpk= 0, nxpk= 0, iat=1279,1293, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 87 TRP HA 87 TRP HD1 4.63
&rst
ixpk= 0, nxpk= 0, iat=1312,1318, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 9 ASP H 9 ASP HB3 3.02
&rst
ixpk= 0, nxpk= 0, iat= 124, 129, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 100 LYS QB 101 ARG H 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1533, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1515,1516,
&end
#
# 101 ARG HA 101 ARG QD 5.30
&rst
ixpk= 0, nxpk= 0, iat=1535, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr2=1543,1544,
&end
#
# 111 GLU HA 115 MET HG3 5.24
&rst
ixpk= 0, nxpk= 0, iat=1715,1778, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 112 ARG H 115 MET HB2 5.47
&rst
ixpk= 0, nxpk= 0, iat=1728,1774, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 11 TYR HA 35 TYR QD 5.34
&rst
ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 524, 533,
&end
#
# 122 GLN HB3 124 ASN H 5.46
&rst
ixpk= 0, nxpk= 0, iat=1903,1934, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 123 LEU HA 123 LEU HB2 3.16
&rst
ixpk= 0, nxpk= 0, iat=1917,1919, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 133 PHE H 134 VAL HA 5.16
&rst
ixpk= 0, nxpk= 0, iat=2090,2112, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 136 ALA HA 137 LEU QD2 4.19
&rst
ixpk= 0, nxpk= 0, iat=2142, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=2163,2164,2165,
&end
#
# 139 HIS HA 139 HIS HB2 2.94
&rst
ixpk= 0, nxpk= 0, iat=2185,2187, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 13 LEU QD1 31 CYX HA 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1= 192, 193, 194,
&end
#
# 16 GLN HA 16 GLN QG 3.42
&rst
ixpk= 0, nxpk= 0, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 242, 243,
&end
#
# 18 LEU HA 131 SER HB3 3.77
&rst
ixpk= 0, nxpk= 0, iat= 269,2068, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 23 GLU HB3 24 GLY HA3 5.29
&rst
ixpk= 0, nxpk= 0, iat= 354, 367, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 33 PHE QE 110 LEU HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1698, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 495, 499,
&end
#
# 34 SER H 35 TYR QD 4.58
&rst
ixpk= 0, nxpk= 0, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 524, 533,
&end
#
# 38 ASP HB2 40 TRP HE1 5.80
&rst
ixpk= 0, nxpk= 0, iat= 572, 597, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 46 VAL QG1 87 TRP HA 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1312, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1= 680, 681, 682,
&end
#
# 46 VAL QG2 87 TRP HB2 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1314, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 684, 685, 686,
&end
#
# 52 ARG H 106 TYR QE 5.22
&rst
ixpk= 0, nxpk= 0, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=1619,1624,
&end
#
# 66 ASN HB2 67 ASN HD21 5.80
&rst
ixpk= 0, nxpk= 0, iat= 988,1008, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 6 GLN HE22 9 ASP HA 4.63
&rst
ixpk= 0, nxpk= 0, iat= 91, 126, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 76 THR QG2 79 ARG HH12 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1190, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1=1141,1142,1143,
&end
#
# 77 GLN HE21 78 GLY HA2 5.29
&rst
ixpk= 0, nxpk= 0, iat=1162,1168, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 79 ARG HH22 80 PHE QD 5.30
&rst
ixpk= 0, nxpk= 0, iat=1193, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr2=1205,1213,
&end
#
# 80 PHE HA 93 LEU HG 4.91
&rst
ixpk= 0, nxpk= 0, iat=1199,1399, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 80 PHE HZ 132 VAL QG1 4.38
&rst
ixpk= 0, nxpk= 0, iat=1209, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=2080,2081,2082,
&end
#
# 100 LYS QD 102 ASP H 5.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1557, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1=1521,1522,
&end
#
# 100 LYS QD 134 VAL HA 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1,2112, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1521,1522,
&end
#
# 101 ARG QG 134 VAL QG2 5.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
igr1=1540,1541,
igr2=2120,2121,2122,
&end
#
# 112 ARG HA 112 ARG HE 5.16
&rst
ixpk= 0, nxpk= 0, iat=1730,1741, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 133 PHE QD 134 VAL HB 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1,2114, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=2098,2106,
&end
#
# 13 LEU HG 33 PHE HA 4.71
&rst
ixpk= 0, nxpk= 0, iat= 190, 487, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 13 LEU QD1 33 PHE QD 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 192, 193, 194,
igr2= 493, 501,
&end
#
# 143 VAL H 144 PRO HD3 4.95
&rst
ixpk= 0, nxpk= 0, iat=2237,2255, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 22 GLN QB 23 GLU H 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 336, 337,
&end
#
# 35 TYR QD 40 TRP HE1 3.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr1= 524, 533,
&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
#
# 49 TYR HB2 109 ARG H 4.47
&rst
ixpk= 0, nxpk= 0, iat= 718,1670, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 50 TRP HE3 108 PHE H 4.70
&rst
ixpk= 0, nxpk= 0, iat= 754,1650, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 53 ALA H 107 PHE QD 3.84
&rst
ixpk= 0, nxpk= 0, iat= 803, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=1638,1646,
&end
#
# 63 VAL QG1 75 GLU QG 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1= 950, 951, 952,
igr2=1127,1128,
&end
#
# 71 GLU HA 72 VAL QG1 3.74
&rst
ixpk= 0, nxpk= 0, iat=1064, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1083,1084,1085,
&end
#
# 79 ARG HH22 99 ARG HG3 5.14
&rst
ixpk= 0, nxpk= 0, iat=1193,1495, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 80 PHE HZ 99 ARG H 5.80
&rst
ixpk= 0, nxpk= 0, iat=1209,1487, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 81 GLN HA 82 LEU H 3.21
&rst
ixpk= 0, nxpk= 0, iat=1219,1234, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 81 GLN HA 93 LEU QD1 5.52
&rst
ixpk= 0, nxpk= 0, iat=1219, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr2=1401,1402,1403,
&end
#
# 99 ARG HG2 134 VAL QG1 5.23
&rst
ixpk= 0, nxpk= 0, iat=1494, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2=2116,2117,2118,
&end
#
# 101 ARG HB3 101 ARG QG 3.31
&rst
ixpk= 0, nxpk= 0, iat=1538, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2=1540,1541,
&end
#
# 106 TYR HB2 130 LEU QD1 5.34
&rst
ixpk= 0, nxpk= 0, iat=1613, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr2=2053,2054,2055,
&end
#
# 109 ARG H 109 ARG HG2 4.34
&rst
ixpk= 0, nxpk= 0, iat=1670,1677, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 112 ARG HB2 113 GLY H 4.88
&rst
ixpk= 0, nxpk= 0, iat=1732,1752, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 115 MET H 115 MET HG3 4.83
&rst
ixpk= 0, nxpk= 0, iat=1770,1778, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 121 SER HB3 129 GLN HE21 4.18
&rst
ixpk= 0, nxpk= 0, iat=1892,2040, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 128 LYS HG2 128 LYS HD3 3.17
&rst
ixpk= 0, nxpk= 0, iat=2012,2016, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 13 LEU QD1 109 ARG H 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1670, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 192, 193, 194,
&end
#
# 15 VAL QG1 31 CYX HB2 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 468, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 225, 226, 227,
&end
#
# 21 VAL HB 27 VAL QG2 3.53
&rst
ixpk= 0, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 411, 412, 413,
&end
#
# 21 VAL QG2 97 ASP H 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 326, 327, 328,
&end
#
# 33 PHE HZ 46 VAL QG1 4.08
&rst
ixpk= 0, nxpk= 0, iat= 497, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 680, 681, 682,
&end
#
# 34 SER QB 89 ASN HD21 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1355, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 509, 510,
&end
#
# 35 TYR H 36 PRO HD3 5.06
&rst
ixpk= 0, nxpk= 0, iat= 516, 539, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 35 TYR HB2 40 TRP HE1 5.70
&rst
ixpk= 0, nxpk= 0, iat= 520, 597, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 36 PRO HB2 37 GLN H 3.57
&rst
ixpk= 0, nxpk= 0, iat= 544, 551, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 37 GLN H 37 GLN HB3 3.74
&rst
ixpk= 0, nxpk= 0, iat= 551, 556, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 37 GLN HG2 38 ASP HB2 5.20
&rst
ixpk= 0, nxpk= 0, iat= 558, 572, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 38 ASP H 40 TRP HE1 3.28
&rst
ixpk= 0, nxpk= 0, iat= 568, 597, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 45 PRO HD3 87 TRP HZ2 5.03
&rst
ixpk= 0, nxpk= 0, iat= 662,1323, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 50 TRP HB2 93 LEU QD2 4.53
&rst
ixpk= 0, nxpk= 0, iat= 739, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1405,1406,1407,
&end
#
# 5 ARG HB3 5 ARG HG2 3.02
&rst
ixpk= 0, nxpk= 0, iat= 60, 62, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 61 ALA HA 62 PRO HB3 5.29
&rst
ixpk= 0, nxpk= 0, iat= 922, 938, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 65 THR HA 82 LEU HB2 4.30
&rst
ixpk= 0, nxpk= 0, iat= 972,1238, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 66 ASN H 82 LEU QD1 3.77
&rst
ixpk= 0, nxpk= 0, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1243,1244,1245,
&end
#
# 66 ASN H 82 LEU QD2 4.11
&rst
ixpk= 0, nxpk= 0, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1247,1248,1249,
&end
#
# 6 GLN HB2 9 ASP HB2 4.72
&rst
ixpk= 0, nxpk= 0, iat= 83, 128, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 72 VAL QG2 77 GLN HA 2.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr1=1087,1088,1089,
&end
#
# 79 ARG HG3 80 PHE H 4.61
&rst
ixpk= 0, nxpk= 0, iat=1181,1197, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 7 TYR QD 122 GLN HB3 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1903, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 104, 113,
&end
#
# 80 PHE QE 102 ASP HB2 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1561, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1=1207,1211,
&end
#
# 90 ASP H 90 ASP HB2 3.66
&rst
ixpk= 0, nxpk= 0, iat=1359,1363, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 98 ALA HA 99 ARG HG3 5.80
&rst
ixpk= 0, nxpk= 0, iat=1479,1495, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 100 LYS QE 134 VAL HA 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1,2112, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=1524,1525,
&end
#
# 100 LYS QE 135 THR HA 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,2128, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1524,1525,
&end
#
# 117 TRP HE1 120 LYS H 4.50
&rst
ixpk= 0, nxpk= 0, iat=1819,1865, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 119 TYR HA 125 TYR QE 3.69
&rst
ixpk= 0, nxpk= 0, iat=1846, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=1958,1963,
&end
#
# 119 TYR HB3 127 THR QG2 4.09
&rst
ixpk= 0, nxpk= 0, iat=1849, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1997,1998,1999,
&end
#
# 11 TYR QE 117 TRP HA 5.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1811, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 153, 158,
&end
#
# 120 LYS H 121 SER H 4.97
&rst
ixpk= 0, nxpk= 0, iat=1865,1887, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 121 SER H 125 TYR QD 5.39
&rst
ixpk= 0, nxpk= 0, iat=1887, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1956,1965,
&end
#
# 128 LYS HG3 128 LYS QE 3.14
&rst
ixpk= 0, nxpk= 0, iat=2013, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2=2018,2019,
&end
#
# 12 LEU H 119 TYR HH 4.39
&rst
ixpk= 0, nxpk= 0, iat= 164,1857, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 130 LEU QD2 132 VAL HA 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1,2076, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=2057,2058,2059,
&end
#
# 19 VAL QG1 132 VAL QG1 2.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 292, 293, 294,
igr2=2080,2081,2082,
&end
#
# 22 GLN QB 25 LEU H 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 336, 337,
&end
#
# 23 GLU HB3 137 LEU HG 5.80
&rst
ixpk= 0, nxpk= 0, iat= 354,2157, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 25 LEU QD2 95 ILE QG2 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1= 384, 385, 386,
igr2=1428,1429,1430,
&end
#
# 35 TYR QE 40 TRP HE1 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 526, 531,
&end
#
# 4 ASP HA 5 ARG H 2.83
&rst
ixpk= 0, nxpk= 0, iat= 45, 55, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end
#
# 50 TRP HE3 106 TYR H 5.80
&rst
ixpk= 0, nxpk= 0, iat= 754,1609, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 5 ARG H 5 ARG HG3 3.58
&rst
ixpk= 0, nxpk= 0, iat= 55, 63, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 6 GLN HG2 124 ASN HD21 3.25
&rst
ixpk= 0, nxpk= 0, iat= 86,1944, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 70 ARG HG3 71 GLU QB 5.44
&rst
ixpk= 0, nxpk= 0, iat=1046, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=1066,1067,
&end
#
# 72 VAL HB 77 GLN QG 5.33
&rst
ixpk= 0, nxpk= 0, iat=1081, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1156,1157,
&end
#
# 72 VAL QG2 80 PHE H 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1197, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=1087,1088,1089,
&end
#
# 73 GLN HB2 75 GLU H 5.80
&rst
ixpk= 0, nxpk= 0, iat=1097,1120, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 73 GLN HB2 76 THR QG2 3.48
&rst
ixpk= 0, nxpk= 0, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=1141,1142,1143,
&end
#
# 79 ARG HH12 99 ARG H 5.15
&rst
ixpk= 0, nxpk= 0, iat=1190,1487, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 80 PHE H 81 GLN HG2 5.37
&rst
ixpk= 0, nxpk= 0, iat=1197,1224, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 83 LEU H 83 LEU HG 4.00
&rst
ixpk= 0, nxpk= 0, iat=1253,1260, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 85 ASP H 90 ASP HB2 4.15
&rst
ixpk= 0, nxpk= 0, iat=1279,1363, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 88 SER HB3 89 ASN H 5.02
&rst
ixpk= 0, nxpk= 0, iat=1339,1345, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 8 GLY HA2 11 TYR QE 5.49
&rst
ixpk= 0, nxpk= 0, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2= 153, 158,
&end
#
# 92 SER HA 93 LEU HB2 5.28
&rst
ixpk= 0, nxpk= 0, iat=1383,1396, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 93 LEU QD2 106 TYR HB3 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1614, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1405,1406,1407,
&end
#
# 100 LYS QE 136 ALA HA 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1,2142, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1=1524,1525,
&end
#
# 102 ASP HB2 106 TYR HH 4.89
&rst
ixpk= 0, nxpk= 0, iat=1561,1622, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 106 TYR HA 132 VAL QG2 5.71
&rst
ixpk= 0, nxpk= 0, iat=1611, -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr2=2084,2085,2086,
&end
#
# 109 ARG H 110 LEU HA 5.80
&rst
ixpk= 0, nxpk= 0, iat=1670,1696, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 10 GLY HA2 12 LEU QD1 4.01
&rst
ixpk= 0, nxpk= 0, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 173, 174, 175,
&end
#
# 10 GLY HA3 36 PRO HG3 4.43
&rst
ixpk= 0, nxpk= 0, iat= 139, 542, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 11 TYR QE 115 MET HG3 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1,1778, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 153, 158,
&end
#
# 126 LYS HA 126 LYS HG3 4.24
&rst
ixpk= 0, nxpk= 0, iat=1971,1977, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 133 PHE QD 134 VAL H 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1,2110, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1=2098,2106,
&end
#
# 136 ALA QB 137 LEU QD2 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1=2144,2145,2146,
igr2=2163,2164,2165,
&end
#
# 137 LEU HB2 138 THR QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat=2154, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2175,2176,2177,
&end
#
# 13 LEU HG 15 VAL HB 5.04
&rst
ixpk= 0, nxpk= 0, iat= 190, 223, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 145 ARG H 145 ARG HB3 4.24
&rst
ixpk= 0, nxpk= 0, iat=2267,2272, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 14 GLN HG3 128 LYS H 5.80
&rst
ixpk= 0, nxpk= 0, iat= 210,2005, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 15 VAL QG2 17 GLU HA 5.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1= 229, 230, 231,
&end
#
# 16 GLN H 130 LEU QD1 4.49
&rst
ixpk= 0, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=2053,2054,2055,
&end
#
# 23 GLU HG3 137 LEU QD2 5.38
&rst
ixpk= 0, nxpk= 0, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr2=2163,2164,2165,
&end
#
# 28 HIS HA 94 SER QB 4.22
&rst
ixpk= 0, nxpk= 0, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1415,1416,
&end
#
# 37 GLN HA 38 ASP HB2 5.48
&rst
ixpk= 0, nxpk= 0, iat= 553, 572, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 37 GLN HG2 40 TRP HE1 5.80
&rst
ixpk= 0, nxpk= 0, iat= 558, 597, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 48 GLY H 65 THR HA 5.75
&rst
ixpk= 0, nxpk= 0, iat= 707, 972, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 49 TYR QD 111 GLU QG 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 722, 731,
igr2=1720,1721,
&end
#
# 50 TRP HD1 82 LEU HA 4.43
&rst
ixpk= 0, nxpk= 0, iat= 743,1236, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 50 TRP HZ2 91 CYX QB 4.45
&rst
ixpk= 0, nxpk= 0, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2=1375,1376,
&end
#
# 50 TRP HZ3 108 PHE H 4.39
&rst
ixpk= 0, nxpk= 0, iat= 752,1650, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 53 ALA HA 107 PHE QD 3.48
&rst
ixpk= 0, nxpk= 0, iat= 805, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2=1638,1646,
&end
#
# 53 ALA QB 107 PHE QD 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 807, 808, 809,
igr2=1638,1646,
&end
#
# 56 ARG QB 56 ARG HD2 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 842, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 836, 837,
&end
#
# 62 PRO HG3 65 THR QG2 3.72
&rst
ixpk= 0, nxpk= 0, iat= 935, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 976, 977, 978,
&end
#
# 66 ASN HB2 82 LEU QD2 3.86
&rst
ixpk= 0, nxpk= 0, iat= 988, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1247,1248,1249,
&end
#
# 68 PRO HG3 69 ASP HB2 5.64
&rst
ixpk= 0, nxpk= 0, iat=1017,1030, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 6 GLN HE22 125 TYR QE 4.44
&rst
ixpk= 0, nxpk= 0, iat= 91, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=1958,1963,
&end
#
# 80 PHE HA 81 GLN HG3 5.38
&rst
ixpk= 0, nxpk= 0, iat=1199,1225, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 80 PHE HA 81 GLN HG2 5.55
&rst
ixpk= 0, nxpk= 0, iat=1199,1224, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 80 PHE QD 95 ILE HA 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1424, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1205,1213,
&end
#
# 80 PHE QE 96 ARG H 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1441, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1207,1211,
&end
#
# 96 ARG HA 96 ARG HG3 4.15
&rst
ixpk= 0, nxpk= 0, iat=1443,1449, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 96 ARG QB 97 ASP HB3 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1470, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=1445,1446,
&end
#
# 103 LYS HA 132 VAL QG1 3.57
&rst
ixpk= 0, nxpk= 0, iat=1571, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=2080,2081,2082,
&end
#
# 112 ARG H 115 MET HG3 5.17
&rst
ixpk= 0, nxpk= 0, iat=1728,1778, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 113 GLY H 114 SER HA 5.80
&rst
ixpk= 0, nxpk= 0, iat=1752,1761, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 122 GLN H 126 LYS QD 5.42
&rst
ixpk= 0, nxpk= 0, iat=1898, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2=1979,1980,
&end
#
# 122 GLN HG3 125 TYR H 5.80
&rst
ixpk= 0, nxpk= 0, iat=1906,1948, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 123 LEU HB3 124 ASN HA 5.77
&rst
ixpk= 0, nxpk= 0, iat=1920,1936, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end
#
# 13 LEU QD1 119 TYR HB2 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1,1848, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 192, 193, 194,
&end
#
# 13 LEU QD1 32 SER HA 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 192, 193, 194,
&end
#
# 15 VAL QG1 129 GLN HG3 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1,2035, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 225, 226, 227,
&end
#
# 23 GLU HB2 134 VAL HA 5.02
&rst
ixpk= 0, nxpk= 0, iat= 353,2112, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 36 PRO HB2 38 ASP H 3.47
&rst
ixpk= 0, nxpk= 0, iat= 544, 568, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 37 GLN HB3 40 TRP HE1 4.59
&rst
ixpk= 0, nxpk= 0, iat= 556, 597, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 37 GLN HE21 40 TRP HZ2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 564, 600, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 44 ASP HA 87 TRP HH2 5.04
&rst
ixpk= 0, nxpk= 0, iat= 650,1325, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 49 TYR HB3 51 PHE HZ 4.88
&rst
ixpk= 0, nxpk= 0, iat= 719, 771, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 49 TYR QE 62 PRO HB3 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 938, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 724, 729,
&end
#
# 6 GLN HG3 125 TYR H 5.80
&rst
ixpk= 0, nxpk= 0, iat= 87,1948, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 71 GLU HG2 72 VAL QG1 5.01
&rst
ixpk= 0, nxpk= 0, iat=1069, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=1083,1084,1085,
&end
#
# 75 GLU HA 101 ARG QD 5.32
&rst
ixpk= 0, nxpk= 0, iat=1122, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=1543,1544,
&end
#
# 7 TYR HB2 124 ASN HD22 4.00
&rst
ixpk= 0, nxpk= 0, iat= 100,1943, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 81 GLN HE22 96 ARG QD 4.52
&rst
ixpk= 0, nxpk= 0, iat=1229, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1451,1452,
&end
#
# 86 ILE HB 87 TRP HD1 5.40
&rst
ixpk= 0, nxpk= 0, iat=1295,1318, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 8 GLY H 117 TRP HH2 4.14
&rst
ixpk= 0, nxpk= 0, iat= 117,1824, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 8 GLY HA3 117 TRP HZ2 5.13
&rst
ixpk= 0, nxpk= 0, iat= 120,1822, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 8 GLY HA3 9 ASP HA 5.32
&rst
ixpk= 0, nxpk= 0, iat= 120, 126, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 90 ASP HB3 92 SER HB2 5.67
&rst
ixpk= 0, nxpk= 0, iat=1364,1385, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 96 ARG QB 97 ASP HB2 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1469, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1=1445,1446,
&end
#
# 9 ASP HA 10 GLY HA2 5.62
&rst
ixpk= 0, nxpk= 0, iat= 126, 138, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 103 LYS QE 134 VAL H 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1,2110, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=1582,1583,
&end
#
# 103 LYS QE 134 VAL QG2 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1582,1583,
igr2=2120,2121,2122,
&end
#
# 106 TYR H 129 GLN HG2 5.36
&rst
ixpk= 0, nxpk= 0, iat=1609,2034, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 109 ARG HA 110 LEU HB3 5.63
&rst
ixpk= 0, nxpk= 0, iat=1672,1699, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 115 MET HA 115 MET HG3 3.52
&rst
ixpk= 0, nxpk= 0, iat=1772,1778, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 117 TRP HA 117 TRP HE3 5.38
&rst
ixpk= 0, nxpk= 0, iat=1811,1828, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 125 TYR HB3 126 LYS HA 5.27
&rst
ixpk= 0, nxpk= 0, iat=1953,1971, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 137 LEU QD1 140 GLY HA3 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1,2203, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1=2159,2160,2161,
&end
#
# 139 HIS HD2 140 GLY H 5.30
&rst
ixpk= 0, nxpk= 0, iat=2196,2200, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 13 LEU QD2 15 VAL HA 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 221, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 196, 197, 198,
&end
#
# 142 LEU H 143 VAL H 4.37
&rst
ixpk= 0, nxpk= 0, iat=2218,2237, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 14 GLN QB 32 SER HB3 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 479, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 206, 207,
&end
#
# 15 VAL HA 31 CYX HB2 4.90
&rst
ixpk= 0, nxpk= 0, iat= 221, 468, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 17 GLU HA 18 LEU HA 5.35
&rst
ixpk= 0, nxpk= 0, iat= 254, 269, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 18 LEU HA 132 VAL HA 5.67
&rst
ixpk= 0, nxpk= 0, iat= 269,2076, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 27 VAL QG2 95 ILE QD1 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 411, 412, 413,
igr2=1435,1436,1437,
&end
#
# 31 CYX HB2 92 SER HA 5.07
&rst
ixpk= 0, nxpk= 0, iat= 468,1383, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 36 PRO HB2 115 MET QE 4.43
&rst
ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1781,1782,1783,
&end
#
# 37 GLN H 40 TRP HE1 4.80
&rst
ixpk= 0, nxpk= 0, iat= 551, 597, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 37 GLN HA 40 TRP HE1 3.21
&rst
ixpk= 0, nxpk= 0, iat= 553, 597, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 37 GLN HE22 40 TRP HZ2 5.70
&rst
ixpk= 0, nxpk= 0, iat= 563, 600, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 40 TRP HE1 115 MET HB3 5.79
&rst
ixpk= 0, nxpk= 0, iat= 597,1775, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end
#
# 40 TRP QB 44 ASP HB2 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 591, 592,
&end
#
# 45 PRO QB 87 TRP HZ2 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1323, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 667, 668,
&end
#
# 47 HIS HA 49 TYR QD 5.70
&rst
ixpk= 0, nxpk= 0, iat= 692, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2= 722, 731,
&end
#
# 49 TYR H 82 LEU QD1 4.48
&rst
ixpk= 0, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1243,1244,1245,
&end
#
# 49 TYR QE 70 ARG HB3 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 724, 729,
&end
#
# 56 ARG HA 56 ARG HD2 3.30
&rst
ixpk= 0, nxpk= 0, iat= 834, 842, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 57 PRO HG2 58 TYR QD 4.70
&rst
ixpk= 0, nxpk= 0, iat= 860, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 878, 887,
&end
#
# 5 ARG HB2 6 GLN HB2 4.92
&rst
ixpk= 0, nxpk= 0, iat= 59, 83, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 61 ALA QB 62 PRO HB3 5.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 938, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1= 924, 925, 926,
&end
#
# 65 THR HA 82 LEU QD1 3.13
&rst
ixpk= 0, nxpk= 0, iat= 972, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2=1243,1244,1245,
&end
#
# 72 VAL QG2 77 GLN QB 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=1087,1088,1089,
igr2=1153,1154,
&end
#
# 88 SER HB3 90 ASP HA 5.80
&rst
ixpk= 0, nxpk= 0, iat=1339,1361, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 8 GLY HA2 117 TRP HH2 4.59
&rst
ixpk= 0, nxpk= 0, iat= 119,1824, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 100 LYS HG3 134 VAL QG2 5.80
&rst
ixpk= 0, nxpk= 0, iat=1519, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=2120,2121,2122,
&end
#
# 106 TYR H 107 PHE H 4.81
&rst
ixpk= 0, nxpk= 0, iat=1609,1630, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 110 LEU HB2 119 TYR QE 4.83
&rst
ixpk= 0, nxpk= 0, iat=1698, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1854,1859,
&end
#
# 117 TRP HH2 125 TYR QD 5.08
&rst
ixpk= 0, nxpk= 0, iat=1824, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1956,1965,
&end
#
# 117 TRP HH2 125 TYR QE 5.65
&rst
ixpk= 0, nxpk= 0, iat=1824, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2=1958,1963,
&end
#
# 122 GLN HG2 125 TYR H 5.80
&rst
ixpk= 0, nxpk= 0, iat=1905,1948, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 135 THR H 135 THR HB 3.60
&rst
ixpk= 0, nxpk= 0, iat=2126,2130, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 137 LEU H 137 LEU QD2 3.73
&rst
ixpk= 0, nxpk= 0, iat=2150, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=2163,2164,2165,
&end
#
# 138 THR HA 138 THR HB 2.85
&rst
ixpk= 0, nxpk= 0, iat=2171,2173, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, &end
#
# 139 HIS HB3 139 HIS HD2 3.72
&rst
ixpk= 0, nxpk= 0, iat=2188,2196, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 14 GLN H 32 SER HB3 4.98
&rst
ixpk= 0, nxpk= 0, iat= 202, 479, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 14 GLN HA 128 LYS HG3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 204,2013, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 15 VAL QG1 129 GLN HA 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1,2029, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 225, 226, 227,
&end
#
# 19 VAL H 130 LEU QD1 3.41
&rst
ixpk= 0, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=2053,2054,2055,
&end
#
# 20 THR QG2 133 PHE HA 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1,2092, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 308, 309, 310,
&end
#
# 21 VAL HB 95 ILE QD1 4.90
&rst
ixpk= 0, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1435,1436,1437,
&end
#
# 22 GLN QB 137 LEU HA 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1,2152, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 336, 337,
&end
#
# 33 PHE H 89 ASN HD21 5.03
&rst
ixpk= 0, nxpk= 0, iat= 485,1355, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 33 PHE HB2 34 SER QB 5.22
&rst
ixpk= 0, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 509, 510,
&end
#
# 34 SER QB 35 TYR H 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 516, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 509, 510,
&end
#
# 35 TYR QE 46 VAL QG2 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 526, 531,
igr2= 684, 685, 686,
&end
#
# 40 TRP HE1 110 LEU QD1 5.80
&rst
ixpk= 0, nxpk= 0, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=1703,1704,1705,
&end
#
# 40 TRP QB 112 ARG HE 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1741, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 591, 592,
&end
#
# 45 PRO QB 86 ILE QD1 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1= 667, 668,
igr2=1304,1305,1306,
&end
#
# 50 TRP H 62 PRO HB2 4.34
&rst
ixpk= 0, nxpk= 0, iat= 735, 937, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 50 TRP HA 109 ARG H 4.17
&rst
ixpk= 0, nxpk= 0, iat= 737,1670, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 51 PHE QD 57 PRO HD3 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 767, 775,
&end
#
# 55 ASP H 107 PHE QD 5.22
&rst
ixpk= 0, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=1638,1646,
&end
#
# 56 ARG HD2 58 TYR QE 5.80
&rst
ixpk= 0, nxpk= 0, iat= 842, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2= 880, 885,
&end
#
# 5 ARG HG3 5 ARG QD 3.00
&rst
ixpk= 0, nxpk= 0, iat= 63, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 65, 66,
&end
#
# 63 VAL QG1 76 THR HB 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1139, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 950, 951, 952,
&end
#
# 65 THR QG2 70 ARG HG3 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 976, 977, 978,
&end
#
# 66 ASN HB3 67 ASN HD21 4.89
&rst
ixpk= 0, nxpk= 0, iat= 989,1008, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 6 GLN HE22 125 TYR QD 4.71
&rst
ixpk= 0, nxpk= 0, iat= 91, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2=1956,1965,
&end
#
# 6 GLN HG2 125 TYR H 5.80
&rst
ixpk= 0, nxpk= 0, iat= 86,1948, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 6 GLN HG2 125 TYR QD 5.09
&rst
ixpk= 0, nxpk= 0, iat= 86, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr2=1956,1965,
&end
#
# 77 GLN HE22 78 GLY HA2 4.68
&rst
ixpk= 0, nxpk= 0, iat=1161,1168, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 79 ARG HH12 80 PHE QD 5.43
&rst
ixpk= 0, nxpk= 0, iat=1190, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=1205,1213,
&end
#
# 7 TYR QD 8 GLY HA2 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 119, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 104, 113,
&end
#
# 80 PHE QE 95 ILE HG12 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1432, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1=1207,1211,
&end
#
# 81 GLN HB3 94 SER H 5.68
&rst
ixpk= 0, nxpk= 0, iat=1222,1411, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 82 LEU HB3 82 LEU QD2 2.97
&rst
ixpk= 0, nxpk= 0, iat=1239, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2=1247,1248,1249,
&end
#
# 83 LEU HB2 83 LEU QD1 2.86
&rst
ixpk= 0, nxpk= 0, iat=1257, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2=1262,1263,1264,
&end
#
# 85 ASP H 87 TRP H 5.80
&rst
ixpk= 0, nxpk= 0, iat=1279,1310, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 95 ILE QD1 102 ASP HB2 5.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1561, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=1435,1436,1437,
&end
#
# 95 ILE QG2 102 ASP HB2 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1561, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1=1428,1429,1430,
&end
#
# 95 ILE QG2 132 VAL QG2 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr1=1428,1429,1430,
igr2=2084,2085,2086,
&end
#
# 98 ALA HA 99 ARG HB3 5.80
&rst
ixpk= 0, nxpk= 0, iat=1479,1492, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 9 ASP H 117 TRP HH2 5.45
&rst
ixpk= 0, nxpk= 0, iat= 124,1824, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 110 LEU H 119 TYR QE 4.41
&rst
ixpk= 0, nxpk= 0, iat=1694, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1854,1859,
&end
#
# 121 SER HB2 125 TYR QE 5.80
&rst
ixpk= 0, nxpk= 0, iat=1891, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=1958,1963,
&end
#
# 121 SER HB2 126 LYS HA 4.31
&rst
ixpk= 0, nxpk= 0, iat=1891,1971, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 13 LEU QD2 108 PHE H 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1,1650, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 196, 197, 198,
&end
#
# 142 LEU HB2 143 VAL HA 5.21
&rst
ixpk= 0, nxpk= 0, iat=2222,2239, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 143 VAL HA 145 ARG QG 5.80
&rst
ixpk= 0, nxpk= 0, iat=2239, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=2274,2275,
&end
#
# 15 VAL QG1 50 TRP HH2 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 225, 226, 227,
&end
#
# 18 LEU HG 20 THR H 4.09
&rst
ixpk= 0, nxpk= 0, iat= 274, 302, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 23 GLU HB3 136 ALA QB 3.82
&rst
ixpk= 0, nxpk= 0, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=2144,2145,2146,
&end
#
# 23 GLU HB3 137 LEU QD2 3.70
&rst
ixpk= 0, nxpk= 0, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=2163,2164,2165,
&end
#
# 26 SER HB2 27 VAL HB 5.46
&rst
ixpk= 0, nxpk= 0, iat= 394, 405, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 28 HIS QB 30 PRO HD2 5.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 421, 422,
&end
#
# 29 VAL H 92 SER HA 5.25
&rst
ixpk= 0, nxpk= 0, iat= 434,1383, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 29 VAL QG1 50 TRP HH2 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 440, 441, 442,
&end
#
# 35 TYR QD 37 GLN H 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 551, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 524, 533,
&end
#
# 40 TRP QB 40 TRP HE1 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 591, 592,
&end
#
# 49 TYR QE 67 ASN HD22 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1007, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 724, 729,
&end
#
# 50 TRP HH2 108 PHE H 4.61
&rst
ixpk= 0, nxpk= 0, iat= 750,1650, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 50 TRP HZ3 129 GLN HA 5.04
&rst
ixpk= 0, nxpk= 0, iat= 752,2029, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 51 PHE HB3 55 ASP H 5.80
&rst
ixpk= 0, nxpk= 0, iat= 764, 820, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 51 PHE HZ 62 PRO HD2 5.78
&rst
ixpk= 0, nxpk= 0, iat= 771, 931, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 52 ARG HG3 63 VAL QG1 3.51
&rst
ixpk= 0, nxpk= 0, iat= 787, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 950, 951, 952,
&end
#
# 52 ARG HG2 52 ARG QD 3.07
&rst
ixpk= 0, nxpk= 0, iat= 786, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr2= 789, 790,
&end
#
# 63 VAL QG2 107 PHE H 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1630, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 954, 955, 956,
&end
#
# 68 PRO HA 69 ASP HB2 5.76
&rst
ixpk= 0, nxpk= 0, iat=1022,1030, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end
#
# 68 PRO HD2 70 ARG H 4.91
&rst
ixpk= 0, nxpk= 0, iat=1013,1038, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 73 GLN HB3 76 THR QG2 3.77
&rst
ixpk= 0, nxpk= 0, iat=1098, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1141,1142,1143,
&end
#
# 79 ARG HE 80 PHE QE 5.03
&rst
ixpk= 0, nxpk= 0, iat=1186, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2=1207,1211,
&end
#
# 7 TYR QE 124 ASN HD21 5.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1944, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 106, 111,
&end
#
# 83 LEU HB2 92 SER HB2 5.51
&rst
ixpk= 0, nxpk= 0, iat=1257,1385, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 85 ASP H 88 SER H 4.95
&rst
ixpk= 0, nxpk= 0, iat=1279,1334, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 99 ARG HB3 99 ARG QD 3.84
&rst
ixpk= 0, nxpk= 0, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=1497,1498,
&end
#
# 101 ARG QG 103 LYS H 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1569, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1540,1541,
&end
#
# 103 LYS HD2 104 GLY HA2 5.39
&rst
ixpk= 0, nxpk= 0, iat=1579,1593, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 103 LYS HG2 134 VAL QG2 5.30
&rst
ixpk= 0, nxpk= 0, iat=1576, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2=2120,2121,2122,
&end
#
# 106 TYR HB2 130 LEU HB3 4.91
&rst
ixpk= 0, nxpk= 0, iat=1613,2049, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 10 GLY HA3 35 TYR HA 4.36
&rst
ixpk= 0, nxpk= 0, iat= 139, 518, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 110 LEU HB3 119 TYR HH 5.08
&rst
ixpk= 0, nxpk= 0, iat=1699,1857, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 115 MET HA 115 MET HG2 4.25
&rst
ixpk= 0, nxpk= 0, iat=1772,1777, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 120 LYS H 120 LYS HG3 4.88
&rst
ixpk= 0, nxpk= 0, iat=1865,1873, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 120 LYS HA 129 GLN HG3 5.04
&rst
ixpk= 0, nxpk= 0, iat=1867,2035, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 121 SER H 121 SER HB2 3.75
&rst
ixpk= 0, nxpk= 0, iat=1887,1891, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 122 GLN H 125 TYR QE 5.08
&rst
ixpk= 0, nxpk= 0, iat=1898, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1958,1963,
&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
#
# 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
#
# 134 VAL HA 135 THR HB 5.07
&rst
ixpk= 0, nxpk= 0, iat=2112,2130, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 134 VAL QG1 136 ALA HA 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1,2142, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=2116,2117,2118,
&end
#
# 15 VAL QG1 128 LYS HG2 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1,2012, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1= 225, 226, 227,
&end
#
# 26 SER HB3 96 ARG HA 2.94
&rst
ixpk= 0, nxpk= 0, iat= 395,1443, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 28 HIS HE1 92 SER HB3 4.59
&rst
ixpk= 0, nxpk= 0, iat= 426,1386, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 31 CYX HA 92 SER HA 5.20
&rst
ixpk= 0, nxpk= 0, iat= 466,1383, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 35 TYR QD 37 GLN HA 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 524, 533,
&end
#
# 40 TRP HE1 110 LEU QD2 5.23
&rst
ixpk= 0, nxpk= 0, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2=1707,1708,1709,
&end
#
# 40 TRP HE3 44 ASP HB2 5.03
&rst
ixpk= 0, nxpk= 0, iat= 606, 652, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 40 TRP HZ3 42 ASP H 4.56
&rst
ixpk= 0, nxpk= 0, iat= 604, 625, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 45 PRO HG3 87 TRP HZ2 4.68
&rst
ixpk= 0, nxpk= 0, iat= 665,1323, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 47 HIS HB2 67 ASN HD21 5.08
&rst
ixpk= 0, nxpk= 0, iat= 694,1008, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 47 HIS HB3 49 TYR QE 4.25
&rst
ixpk= 0, nxpk= 0, iat= 695, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 724, 729,
&end
#
# 48 GLY H 49 TYR QE 5.27
&rst
ixpk= 0, nxpk= 0, iat= 707, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 724, 729,
&end
#
# 60 ASP HA 61 ALA H 3.05
&rst
ixpk= 0, nxpk= 0, iat= 910, 920, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 67 ASN HD22 69 ASP H 5.80
&rst
ixpk= 0, nxpk= 0, iat=1007,1026, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 6 GLN HA 7 TYR H 3.05
&rst
ixpk= 0, nxpk= 0, iat= 81, 96, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 80 PHE HB3 95 ILE HA 5.34
&rst
ixpk= 0, nxpk= 0, iat=1202,1424, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 82 LEU HA 82 LEU QD1 3.15
&rst
ixpk= 0, nxpk= 0, iat=1236, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=1243,1244,1245,
&end
#
# 83 LEU H 93 LEU QD1 5.02
&rst
ixpk= 0, nxpk= 0, iat=1253, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=1401,1402,1403,
&end
#
# 83 LEU QD1 92 SER HA 5.62
&rst
ixpk= 0, nxpk= 0, iat= -1,1383, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1=1262,1263,1264,
&end
#
# 93 LEU HA 94 SER H 3.62
&rst
ixpk= 0, nxpk= 0, iat=1394,1411, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 102 ASP HB3 106 TYR HH 5.32
&rst
ixpk= 0, nxpk= 0, iat=1562,1622, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 105 SER HA 131 SER HB3 4.78
&rst
ixpk= 0, nxpk= 0, iat=1600,2068, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 106 TYR H 107 PHE HA 5.72
&rst
ixpk= 0, nxpk= 0, iat=1609,1632, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, &end
#
# 107 PHE HA 127 THR QG2 5.80
&rst
ixpk= 0, nxpk= 0, iat=1632, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=1997,1998,1999,
&end
#
# 107 PHE QD 120 LYS QE 5.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1=1638,1646,
igr2=1878,1879,
&end
#
# 108 PHE HZ 110 LEU QD1 4.79
&rst
ixpk= 0, nxpk= 0, iat=1662, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=1703,1704,1705,
&end
#
# 109 ARG HG3 110 LEU H 4.90
&rst
ixpk= 0, nxpk= 0, iat=1678,1694, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 115 MET HB2 115 MET QE 3.34
&rst
ixpk= 0, nxpk= 0, iat=1774, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1781,1782,1783,
&end
#
# 117 TRP HD1 119 TYR QE 4.95
&rst
ixpk= 0, nxpk= 0, iat=1817, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1854,1859,
&end
#
# 120 LYS H 127 THR QG2 3.62
&rst
ixpk= 0, nxpk= 0, iat=1865, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2=1997,1998,1999,
&end
#
# 123 LEU QD1 124 ASN HB3 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1939, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=1924,1925,1926,
&end
#
# 127 THR HA 128 LYS H 3.39
&rst
ixpk= 0, nxpk= 0, iat=1993,2005, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 136 ALA QB 138 THR QG2 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=2144,2145,2146,
igr2=2175,2176,2177,
&end
#
# 137 LEU QD1 140 GLY HA2 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1,2202, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1=2159,2160,2161,
&end
#
# 138 THR HA 139 HIS HD2 5.73
&rst
ixpk= 0, nxpk= 0, iat=2171,2196, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end
#
# 13 LEU QD1 119 TYR HB3 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1,1849, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 192, 193, 194,
&end
#
# 141 SER QB 142 LEU HB3 5.75
&rst
ixpk= 0, nxpk= 0, iat= -1,2223, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1=2211,2212,
&end
#
# 142 LEU HB2 143 VAL H 3.88
&rst
ixpk= 0, nxpk= 0, iat=2222,2237, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 14 GLN HA 128 LYS HG2 3.92
&rst
ixpk= 0, nxpk= 0, iat= 204,2012, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 15 VAL QG1 128 LYS HD2 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,2015, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1= 225, 226, 227,
&end
#
# 15 VAL QG1 16 GLN HB3 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 225, 226, 227,
&end
#
# 16 GLN HB2 130 LEU QD1 4.73
&rst
ixpk= 0, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=2053,2054,2055,
&end
#
# 16 GLN HB2 29 VAL QG1 4.18
&rst
ixpk= 0, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 440, 441, 442,
&end
#
# 16 GLN HB3 130 LEU QD1 4.23
&rst
ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=2053,2054,2055,
&end
#
# 16 GLN HB3 29 VAL QG1 3.92
&rst
ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 440, 441, 442,
&end
#
# 18 LEU HG 133 PHE HB3 5.80
&rst
ixpk= 0, nxpk= 0, iat= 274,2095, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 20 THR QG2 132 VAL HA 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,2076, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1= 308, 309, 310,
&end
#
# 20 THR QG2 134 VAL H 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1,2110, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 308, 309, 310,
&end
#
# 21 VAL QG2 24 GLY H 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 326, 327, 328,
&end
#
# 22 GLN HG3 25 LEU QD2 4.33
&rst
ixpk= 0, nxpk= 0, iat= 340, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 384, 385, 386,
&end
#
# 23 GLU H 137 LEU H 4.18
&rst
ixpk= 0, nxpk= 0, iat= 349,2150, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 23 GLU HA 25 LEU QD2 4.84
&rst
ixpk= 0, nxpk= 0, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 384, 385, 386,
&end
#
# 24 GLY H 99 ARG H 5.58
&rst
ixpk= 0, nxpk= 0, iat= 364,1487, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 28 HIS HD2 29 VAL HA 4.79
&rst
ixpk= 0, nxpk= 0, iat= 430, 436, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 2 GLU HA 2 GLU QG 3.49
&rst
ixpk= 0, nxpk= 0, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 28, 29,
&end
#
# 33 PHE HZ 86 ILE HA 5.54
&rst
ixpk= 0, nxpk= 0, iat= 497,1293, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 35 TYR QD 36 PRO HD2 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 538, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 524, 533,
&end
#
# 35 TYR QE 112 ARG HD3 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1739, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 526, 531,
&end
#
# 37 GLN HB2 40 TRP HE1 4.71
&rst
ixpk= 0, nxpk= 0, iat= 555, 597, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 37 GLN HG3 38 ASP HA 4.95
&rst
ixpk= 0, nxpk= 0, iat= 559, 570, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 40 TRP H 40 TRP HE1 5.56
&rst
ixpk= 0, nxpk= 0, iat= 587, 597, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 41 THR H 113 GLY HA3 4.81
&rst
ixpk= 0, nxpk= 0, iat= 611,1755, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 45 PRO HA 87 TRP HZ2 4.58
&rst
ixpk= 0, nxpk= 0, iat= 670,1323, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 46 VAL HA 46 VAL QG2 3.85
&rst
ixpk= 0, nxpk= 0, iat= 676, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 684, 685, 686,
&end
#
# 49 TYR QD 111 GLU H 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1713, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 722, 731,
&end
#
# 50 TRP HB2 93 LEU QD1 5.61
&rst
ixpk= 0, nxpk= 0, iat= 739, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1401,1402,1403,
&end
#
# 50 TRP HE1 91 CYX HA 4.86
&rst
ixpk= 0, nxpk= 0, iat= 745,1373, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 50 TRP HH2 93 LEU QD2 5.07
&rst
ixpk= 0, nxpk= 0, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=1405,1406,1407,
&end
#
# 63 VAL HB 64 ALA H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 948, 960, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 65 THR QG2 72 VAL QG1 2.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 976, 977, 978,
igr2=1083,1084,1085,
&end
#
# 66 ASN HB3 86 ILE QG2 5.52
&rst
ixpk= 0, nxpk= 0, iat= 989, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr2=1297,1298,1299,
&end
#
# 67 ASN H 70 ARG HB2 5.80
&rst
ixpk= 0, nxpk= 0, iat= 998,1042, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 71 GLU H 72 VAL HA 5.74
&rst
ixpk= 0, nxpk= 0, iat=1062,1079, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, &end
#
# 72 VAL HB 73 GLN HA 5.76
&rst
ixpk= 0, nxpk= 0, iat=1081,1095, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end
#
# 72 VAL HB 76 THR HB 5.80
&rst
ixpk= 0, nxpk= 0, iat=1081,1139, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 76 THR HA 80 PHE QD 3.62
&rst
ixpk= 0, nxpk= 0, iat=1137, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=1205,1213,
&end
#
# 76 THR HB 80 PHE QD 3.74
&rst
ixpk= 0, nxpk= 0, iat=1139, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1205,1213,
&end
#
# 79 ARG HA 81 GLN H 5.80
&rst
ixpk= 0, nxpk= 0, iat=1175,1217, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 7 TYR QE 117 TRP HH2 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1,1824, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 106, 111,
&end
#
# 81 GLN H 96 ARG QB 5.80
&rst
ixpk= 0, nxpk= 0, iat=1217, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=1445,1446,
&end
#
# 81 GLN HE21 83 LEU HA 5.56
&rst
ixpk= 0, nxpk= 0, iat=1230,1255, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 82 LEU QD1 93 LEU QD2 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
igr1=1243,1244,1245,
igr2=1405,1406,1407,
&end
#
# 82 LEU QD1 94 SER H 5.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1411, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1=1243,1244,1245,
&end
#
# 82 LEU QD2 83 LEU HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1255, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1247,1248,1249,
&end
#
# 83 LEU HB2 94 SER QB 5.32
&rst
ixpk= 0, nxpk= 0, iat=1257, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=1415,1416,
&end
#
# 8 GLY HA2 125 TYR QD 4.60
&rst
ixpk= 0, nxpk= 0, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1956,1965,
&end
#
# 95 ILE QD1 106 TYR QD 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1435,1436,1437,
igr2=1617,1626,
&end
#
# 95 ILE QG2 106 TYR HH 5.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1622, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1428,1429,1430,
&end
#
# 100 LYS HA 101 ARG HA 5.11
&rst
ixpk= 0, nxpk= 0, iat=1513,1535, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 107 PHE HZ 120 LYS QE 5.80
&rst
ixpk= 0, nxpk= 0, iat=1642, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=1878,1879,
&end
#
# 109 ARG H 109 ARG HB3 4.49
&rst
ixpk= 0, nxpk= 0, iat=1670,1675, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 120 LYS H 125 TYR QE 3.93
&rst
ixpk= 0, nxpk= 0, iat=1865, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1958,1963,
&end
#
# 123 LEU QD1 124 ASN HB2 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1938, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=1924,1925,1926,
&end
#
# 135 THR HA 136 ALA H 3.28
&rst
ixpk= 0, nxpk= 0, iat=2128,2140, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 139 HIS HB3 139 HIS HE1 5.52
&rst
ixpk= 0, nxpk= 0, iat=2188,2192, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 13 LEU H 127 THR HB 5.07
&rst
ixpk= 0, nxpk= 0, iat= 183,1995, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 15 VAL H 17 GLU QG 5.80
&rst
ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2= 259, 260,
&end
#
# 17 GLU HB3 17 GLU QG 3.15
&rst
ixpk= 0, nxpk= 0, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2= 259, 260,
&end
#
# 19 VAL QG2 30 PRO HD3 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 296, 297, 298,
&end
#
# 21 VAL HA 27 VAL HB 3.77
&rst
ixpk= 0, nxpk= 0, iat= 318, 405, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 21 VAL QG2 23 GLU H 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 326, 327, 328,
&end
#
# 22 GLN HE21 137 LEU HG 5.80
&rst
ixpk= 0, nxpk= 0, iat= 345,2157, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 22 GLN QB 22 GLN HG2 2.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 336, 337,
&end
#
# 28 HIS QB 28 HIS HE1 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 426, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 421, 422,
&end
#
# 29 VAL H 92 SER HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 434,1385, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 29 VAL QG1 30 PRO HA 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 440, 441, 442,
&end
#
# 29 VAL QG1 92 SER HA 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1383, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 440, 441, 442,
&end
#
# 30 PRO HA 83 LEU QD1 5.55
&rst
ixpk= 0, nxpk= 0, iat= 460, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr2=1262,1263,1264,
&end
#
# 34 SER H 119 TYR HH 4.27
&rst
ixpk= 0, nxpk= 0, iat= 505,1857, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 35 TYR HB3 110 LEU QD2 5.18
&rst
ixpk= 0, nxpk= 0, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2=1707,1708,1709,
&end
#
# 36 PRO HA 40 TRP HZ2 5.80
&rst
ixpk= 0, nxpk= 0, iat= 547, 600, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 41 THR QG2 44 ASP HA 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 650, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 617, 618, 619,
&end
#
# 44 ASP H 45 PRO HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 648, 661, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 HIS H 110 LEU QD1 4.33
&rst
ixpk= 0, nxpk= 0, iat= 690, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1703,1704,1705,
&end
#
# 47 HIS HA 47 HIS HE1 5.78
&rst
ixpk= 0, nxpk= 0, iat= 692, 699, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 48 GLY H 86 ILE HA 5.80
&rst
ixpk= 0, nxpk= 0, iat= 707,1293, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 49 TYR H 108 PHE HZ 4.59
&rst
ixpk= 0, nxpk= 0, iat= 714,1662, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 50 TRP HA 106 TYR QD 5.65
&rst
ixpk= 0, nxpk= 0, iat= 737, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2=1617,1626,
&end
#
# 50 TRP HA 63 VAL QG2 4.70
&rst
ixpk= 0, nxpk= 0, iat= 737, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 954, 955, 956,
&end
#
# 50 TRP HD1 82 LEU HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 743,1239, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &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
#
# 51 PHE HB2 107 PHE HZ 4.72
&rst
ixpk= 0, nxpk= 0, iat= 763,1642, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 51 PHE HZ 62 PRO HD3 4.88
&rst
ixpk= 0, nxpk= 0, iat= 771, 932, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 53 ALA HA 107 PHE HZ 5.25
&rst
ixpk= 0, nxpk= 0, iat= 805,1642, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 59 GLN QG 60 ASP H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 908, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 898, 899,
&end
#
# 5 ARG HG2 9 ASP HB2 5.20
&rst
ixpk= 0, nxpk= 0, iat= 62, 128, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 61 ALA QB 62 PRO HD2 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 931, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 924, 925, 926,
&end
#
# 61 ALA QB 73 GLN HB2 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 924, 925, 926,
&end
#
# 62 PRO HD2 72 VAL QG1 4.28
&rst
ixpk= 0, nxpk= 0, iat= 931, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1083,1084,1085,
&end
#
# 67 ASN HB2 70 ARG H 4.54
&rst
ixpk= 0, nxpk= 0, iat=1002,1038, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 67 ASN HB2 70 ARG HB2 5.16
&rst
ixpk= 0, nxpk= 0, iat=1002,1042, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 72 VAL H 77 GLN QG 4.60
&rst
ixpk= 0, nxpk= 0, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1156,1157,
&end
#
# 73 GLN HB2 76 THR H 3.71
&rst
ixpk= 0, nxpk= 0, iat=1097,1135, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 79 ARG HA 79 ARG HE 5.80
&rst
ixpk= 0, nxpk= 0, iat=1175,1186, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 80 PHE HB3 95 ILE QD1 5.40
&rst
ixpk= 0, nxpk= 0, iat=1202, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2=1435,1436,1437,
&end
#
# 82 LEU QD1 91 CYX QB 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1=1243,1244,1245,
igr2=1375,1376,
&end
#
# 91 CYX QB 108 PHE HB2 5.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1654, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1375,1376,
&end
#
# 93 LEU HG 95 ILE QD1 3.95
&rst
ixpk= 0, nxpk= 0, iat=1399, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1435,1436,1437,
&end
#
# 104 GLY HA3 105 SER H 3.04
&rst
ixpk= 0, nxpk= 0, iat=1594,1598, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 107 PHE HB3 129 GLN HE21 5.01
&rst
ixpk= 0, nxpk= 0, iat=1635,2040, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 108 PHE H 129 GLN HG2 4.94
&rst
ixpk= 0, nxpk= 0, iat=1650,2034, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 110 LEU HB3 110 LEU QD2 3.88
&rst
ixpk= 0, nxpk= 0, iat=1699, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1707,1708,1709,
&end
#
# 110 LEU HB2 110 LEU QD2 3.97
&rst
ixpk= 0, nxpk= 0, iat=1698, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1707,1708,1709,
&end
#
# 110 LEU QD2 119 TYR HH 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1857, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1707,1708,1709,
&end
#
# 112 ARG HA 113 GLY HA3 5.25
&rst
ixpk= 0, nxpk= 0, iat=1730,1755, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 115 MET HA 115 MET QE 5.40
&rst
ixpk= 0, nxpk= 0, iat=1772, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2=1781,1782,1783,
&end
#
# 120 LYS HG3 121 SER H 5.17
&rst
ixpk= 0, nxpk= 0, iat=1873,1887, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 121 SER HA 126 LYS H 5.02
&rst
ixpk= 0, nxpk= 0, iat=1889,1969, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 129 GLN HB3 131 SER H 5.27
&rst
ixpk= 0, nxpk= 0, iat=2032,2063, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 12 LEU HB3 12 LEU QD1 2.97
&rst
ixpk= 0, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2= 173, 174, 175,
&end
#
# 133 PHE QD 134 VAL HA 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1,2112, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=2098,2106,
&end
#
# 138 THR QG2 139 HIS HA 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1,2185, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2175,2176,2177,
&end
#
# 138 THR QG2 139 HIS HB3 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,2188, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=2175,2176,2177,
&end
#
# 18 LEU HG 133 PHE HB2 5.03
&rst
ixpk= 0, nxpk= 0, iat= 274,2094, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 19 VAL H 133 PHE QD 5.51
&rst
ixpk= 0, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2=2098,2106,
&end
#
# 21 VAL QG2 25 LEU QD2 3.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 326, 327, 328,
igr2= 384, 385, 386,
&end
#
# 22 GLN QB 135 THR HB 5.63
&rst
ixpk= 0, nxpk= 0, iat= -1,2130, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 336, 337,
&end
#
# 27 VAL QG1 95 ILE HA 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1424, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 407, 408, 409,
&end
#
# 33 PHE QE 86 ILE HA 5.54
&rst
ixpk= 0, nxpk= 0, iat= -1,1293, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 495, 499,
&end
#
# 34 SER HA 89 ASN HD21 4.19
&rst
ixpk= 0, nxpk= 0, iat= 507,1355, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 35 TYR QD 36 PRO HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 524, 533,
&end
#
# 35 TYR QE 112 ARG HD2 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1738, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 526, 531,
&end
#
# 35 TYR QE 89 ASN HD21 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1,1355, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 526, 531,
&end
#
# 38 ASP HA 115 MET QE 5.02
&rst
ixpk= 0, nxpk= 0, iat= 570, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=1781,1782,1783,
&end
#
# 39 GLY H 40 TRP H 3.35
&rst
ixpk= 0, nxpk= 0, iat= 580, 587, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 39 GLY HA2 40 TRP H 3.42
&rst
ixpk= 0, nxpk= 0, iat= 582, 587, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 40 TRP HZ3 42 ASP HA 3.54
&rst
ixpk= 0, nxpk= 0, iat= 604, 627, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 49 TYR HB3 62 PRO HG3 5.39
&rst
ixpk= 0, nxpk= 0, iat= 719, 935, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 50 TRP H 82 LEU QD1 4.26
&rst
ixpk= 0, nxpk= 0, iat= 735, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1243,1244,1245,
&end
#
# 50 TRP HA 50 TRP HZ3 5.80
&rst
ixpk= 0, nxpk= 0, iat= 737, 752, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 50 TRP HH2 130 LEU QD1 4.69
&rst
ixpk= 0, nxpk= 0, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=2053,2054,2055,
&end
#
# 52 ARG H 55 ASP HB3 5.32
&rst
ixpk= 0, nxpk= 0, iat= 779, 825, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 5 ARG HA 5 ARG HG3 4.33
&rst
ixpk= 0, nxpk= 0, iat= 57, 63, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 5 ARG HB2 5 ARG HG3 2.85
&rst
ixpk= 0, nxpk= 0, iat= 59, 63, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, &end
#
# 5 ARG HB3 5 ARG QD 3.38
&rst
ixpk= 0, nxpk= 0, iat= 60, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 65, 66,
&end
#
# 61 ALA QB 71 GLU QB 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 924, 925, 926,
igr2=1066,1067,
&end
#
# 63 VAL QG2 80 PHE HB2 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1,1201, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 954, 955, 956,
&end
#
# 64 ALA HA 65 THR H 2.99
&rst
ixpk= 0, nxpk= 0, iat= 962, 970, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &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
#
# 70 ARG HA 71 GLU H 2.99
&rst
ixpk= 0, nxpk= 0, iat=1040,1062, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 70 ARG HG3 71 GLU H 3.87
&rst
ixpk= 0, nxpk= 0, iat=1046,1062, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 76 THR HA 79 ARG HH22 5.30
&rst
ixpk= 0, nxpk= 0, iat=1137,1193, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 76 THR QG2 77 GLN QB 5.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
igr1=1141,1142,1143,
igr2=1153,1154,
&end
#
# 79 ARG H 79 ARG HG3 3.51
&rst
ixpk= 0, nxpk= 0, iat=1173,1181, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 79 ARG HA 96 ARG QB 3.39
&rst
ixpk= 0, nxpk= 0, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2=1445,1446,
&end
#
# 7 TYR HA 8 GLY H 3.34
&rst
ixpk= 0, nxpk= 0, iat= 98, 117, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 7 TYR HA 9 ASP H 4.40
&rst
ixpk= 0, nxpk= 0, iat= 98, 124, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &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
#
# 82 LEU QD2 92 SER H 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1,1381, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1=1247,1248,1249,
&end
#
# 85 ASP H 88 SER HB3 4.67
&rst
ixpk= 0, nxpk= 0, iat=1279,1339, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 86 ILE HA 90 ASP H 4.58
&rst
ixpk= 0, nxpk= 0, iat=1293,1359, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 87 TRP HA 88 SER H 3.83
&rst
ixpk= 0, nxpk= 0, iat=1312,1334, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 87 TRP HB2 87 TRP HD1 3.54
&rst
ixpk= 0, nxpk= 0, iat=1314,1318, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 88 SER HB2 90 ASP H 5.15
&rst
ixpk= 0, nxpk= 0, iat=1338,1359, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 8 GLY HA2 11 TYR H 4.89
&rst
ixpk= 0, nxpk= 0, iat= 119, 143, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 93 LEU HB3 93 LEU QD2 3.08
&rst
ixpk= 0, nxpk= 0, iat=1397, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1405,1406,1407,
&end
#
# 102 ASP HA 106 TYR HH 3.58
&rst
ixpk= 0, nxpk= 0, iat=1559,1622, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 103 LYS HD3 133 PHE HZ 5.04
&rst
ixpk= 0, nxpk= 0, iat=1580,2102, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 105 SER HB2 129 GLN HB3 5.14
&rst
ixpk= 0, nxpk= 0, iat=1602,2032, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 107 PHE QD 107 PHE HZ 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1642, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1638,1646,
&end
#
# 108 PHE H 109 ARG H 5.11
&rst
ixpk= 0, nxpk= 0, iat=1650,1670, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &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
#
# 111 GLU HA 117 TRP H 5.29
&rst
ixpk= 0, nxpk= 0, iat=1715,1809, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 119 TYR H 120 LYS H 5.12
&rst
ixpk= 0, nxpk= 0, iat=1844,1865, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 119 TYR HA 119 TYR QD 5.80
&rst
ixpk= 0, nxpk= 0, iat=1846, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=1852,1861,
&end
#
# 11 TYR HA 125 TYR QE 5.76
&rst
ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2=1958,1963,
&end
#
# 11 TYR HA 12 LEU H 3.52
&rst
ixpk= 0, nxpk= 0, iat= 145, 164, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 11 TYR QD 35 TYR QD 5.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1= 151, 160,
igr2= 524, 533,
&end
#
# 120 LYS HB2 121 SER H 5.05
&rst
ixpk= 0, nxpk= 0, iat=1869,1887, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 122 GLN H 125 TYR QD 3.63
&rst
ixpk= 0, nxpk= 0, iat=1898, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1956,1965,
&end
#
# 122 GLN HB3 123 LEU QD2 4.77
&rst
ixpk= 0, nxpk= 0, iat=1903, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2=1928,1929,1930,
&end
#
# 123 LEU HA 124 ASN HA 5.07
&rst
ixpk= 0, nxpk= 0, iat=1917,1936, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 124 ASN HB2 124 ASN HD21 3.63
&rst
ixpk= 0, nxpk= 0, iat=1938,1944, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 125 TYR QD 127 THR HB 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1995, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1=1956,1965,
&end
#
# 126 LYS HA 127 THR H 3.14
&rst
ixpk= 0, nxpk= 0, iat=1971,1991, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 12 LEU QD2 35 TYR HA 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 177, 178, 179,
&end
#
# 134 VAL QG1 135 THR H 3.18
&rst
ixpk= 0, nxpk= 0, iat= -1,2126, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1=2116,2117,2118,
&end
#
# 138 THR HA 139 HIS HA 4.76
&rst
ixpk= 0, nxpk= 0, iat=2171,2185, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 13 LEU HB2 13 LEU QD2 3.34
&rst
ixpk= 0, nxpk= 0, iat= 187, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 196, 197, 198,
&end
#
# 13 LEU QD2 14 GLN HA 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 204, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 196, 197, 198,
&end
#
# 144 PRO HA 145 ARG QG 4.78
&rst
ixpk= 0, nxpk= 0, iat=2263, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=2274,2275,
&end
#
# 14 GLN HA 128 LYS HB3 3.51
&rst
ixpk= 0, nxpk= 0, iat= 204,2010, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 14 GLN QB 31 CYX HA 5.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 206, 207,
&end
#
# 16 GLN H 16 GLN HB3 3.41
&rst
ixpk= 0, nxpk= 0, iat= 235, 240, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 18 LEU HA 132 VAL QG2 5.80
&rst
ixpk= 0, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=2084,2085,2086,
&end
#
# 18 LEU HB3 131 SER HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 272,2068, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 GLU HB3 136 ALA HA 3.43
&rst
ixpk= 0, nxpk= 0, iat= 354,2142, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 23 GLU HB3 137 LEU H 3.90
&rst
ixpk= 0, nxpk= 0, iat= 354,2150, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 24 GLY HA2 97 ASP HA 4.27
&rst
ixpk= 0, nxpk= 0, iat= 366,1467, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 27 VAL HB 95 ILE QG2 4.96
&rst
ixpk= 0, nxpk= 0, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=1428,1429,1430,
&end
#
# 28 HIS HD2 31 CYX H 5.80
&rst
ixpk= 0, nxpk= 0, iat= 430, 464, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 28 HIS HD2 92 SER HB3 4.22
&rst
ixpk= 0, nxpk= 0, iat= 430,1386, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 29 VAL QG1 30 PRO HB2 5.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 457, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr1= 440, 441, 442,
&end
#
# 33 PHE QE 110 LEU QD1 3.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 495, 499,
igr2=1703,1704,1705,
&end
#
# 34 SER HA 35 TYR QD 3.67
&rst
ixpk= 0, nxpk= 0, iat= 507, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 524, 533,
&end
#
# 34 SER QB 35 TYR QD 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 509, 510,
igr2= 524, 533,
&end
#
# 36 PRO HA 37 GLN HA 4.96
&rst
ixpk= 0, nxpk= 0, iat= 547, 553, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 37 GLN HB2 38 ASP HA 5.24
&rst
ixpk= 0, nxpk= 0, iat= 555, 570, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 40 TRP HA 112 ARG HE 5.80
&rst
ixpk= 0, nxpk= 0, iat= 589,1741, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 47 HIS HB2 111 GLU H 5.31
&rst
ixpk= 0, nxpk= 0, iat= 694,1713, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 47 HIS HD2 68 PRO HD2 5.21
&rst
ixpk= 0, nxpk= 0, iat= 703,1013, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 47 HIS HE1 68 PRO HD3 5.48
&rst
ixpk= 0, nxpk= 0, iat= 699,1014, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 48 GLY HA3 111 GLU H 5.79
&rst
ixpk= 0, nxpk= 0, iat= 710,1713, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end
#
# 49 TYR QD 62 PRO HD2 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 931, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 722, 731,
&end
#
# 50 TRP HE1 91 CYX QB 4.65
&rst
ixpk= 0, nxpk= 0, iat= 745, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1375,1376,
&end
#
# 52 ARG HB3 106 TYR QD 5.07
&rst
ixpk= 0, nxpk= 0, iat= 784, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1617,1626,
&end
#
# 52 ARG HG3 106 TYR QD 4.84
&rst
ixpk= 0, nxpk= 0, iat= 787, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1617,1626,
&end
#
# 57 PRO HD3 107 PHE HZ 3.85
&rst
ixpk= 0, nxpk= 0, iat= 858,1642, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 63 VAL HB 106 TYR QD 5.26
&rst
ixpk= 0, nxpk= 0, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=1617,1626,
&end
#
# 67 ASN HB3 68 PRO HD3 5.37
&rst
ixpk= 0, nxpk= 0, iat=1003,1014, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 71 GLU H 72 VAL QG1 5.08
&rst
ixpk= 0, nxpk= 0, iat=1062, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2=1083,1084,1085,
&end
#
# 76 THR H 76 THR HB 4.22
&rst
ixpk= 0, nxpk= 0, iat=1135,1139, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 79 ARG HH12 80 PHE HZ 5.21
&rst
ixpk= 0, nxpk= 0, iat=1190,1209, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 80 PHE HZ 98 ALA HA 5.46
&rst
ixpk= 0, nxpk= 0, iat=1209,1479, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 80 PHE QD 81 GLN H 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1217, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=1205,1213,
&end
#
# 80 PHE QE 95 ILE HG13 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1433, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1207,1211,
&end
#
# 83 LEU QD2 95 ILE H 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1422, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1=1266,1267,1268,
&end
#
# 86 ILE QG2 87 TRP HE3 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1329, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1297,1298,1299,
&end
#
# 93 LEU HB3 130 LEU QD2 5.09
&rst
ixpk= 0, nxpk= 0, iat=1397, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=2057,2058,2059,
&end
#
# 95 ILE HG13 130 LEU QD2 5.69
&rst
ixpk= 0, nxpk= 0, iat=1433, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr2=2057,2058,2059,
&end
#
# 96 ARG HA 96 ARG QB 3.11
&rst
ixpk= 0, nxpk= 0, iat=1443, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2=1445,1446,
&end
#
# 99 ARG HB3 102 ASP H 4.72
&rst
ixpk= 0, nxpk= 0, iat=1492,1557, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 99 ARG HB2 100 LYS H 5.28
&rst
ixpk= 0, nxpk= 0, iat=1491,1511, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 101 ARG QD 102 ASP H 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1557, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1543,1544,
&end
#
# 102 ASP HB2 132 VAL QG1 5.09
&rst
ixpk= 0, nxpk= 0, iat=1561, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=2080,2081,2082,
&end
#
# 103 LYS HA 106 TYR QE 4.81
&rst
ixpk= 0, nxpk= 0, iat=1571, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1619,1624,
&end
#
# 103 LYS QE 133 PHE QE 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1582,1583,
igr2=2100,2104,
&end
#
# 107 PHE HA 108 PHE HB3 5.33
&rst
ixpk= 0, nxpk= 0, iat=1632,1655, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 110 LEU QD2 115 MET QE 3.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1=1707,1708,1709,
igr2=1781,1782,1783,
&end
#
# 112 ARG H 116 LYS HG3 4.96
&rst
ixpk= 0, nxpk= 0, iat=1728,1795, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 11 TYR HA 119 TYR HH 5.25
&rst
ixpk= 0, nxpk= 0, iat= 145,1857, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 120 LYS HA 121 SER H 3.22
&rst
ixpk= 0, nxpk= 0, iat=1867,1887, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 122 GLN H 126 LYS H 5.05
&rst
ixpk= 0, nxpk= 0, iat=1898,1969, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 129 GLN HB2 131 SER H 5.80
&rst
ixpk= 0, nxpk= 0, iat=2031,2063, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 133 PHE QE 135 THR HB 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,2130, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=2100,2104,
&end
#
# 136 ALA HA 137 LEU H 2.73
&rst
ixpk= 0, nxpk= 0, iat=2142,2150, r1= 1.30, r2= 1.80, r3= 2.73, r4= 3.23, &end
#
# 136 ALA QB 138 THR HA 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1,2171, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=2144,2145,2146,
&end
#
# 13 LEU H 13 LEU HB3 3.44
&rst
ixpk= 0, nxpk= 0, iat= 183, 188, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 141 SER QB 142 LEU HA 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1,2220, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=2211,2212,
&end
#
# 142 LEU HA 143 VAL HB 5.41
&rst
ixpk= 0, nxpk= 0, iat=2220,2241, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 143 VAL HA 143 VAL QG1 3.16
&rst
ixpk= 0, nxpk= 0, iat=2239, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=2243,2244,2245,
&end
#
# 15 VAL QG1 130 LEU HA 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1,2046, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 225, 226, 227,
&end
#
# 15 VAL QG1 17 GLU HA 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 225, 226, 227,
&end
#
# 16 GLN QG 18 LEU HA 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 269, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 242, 243,
&end
#
# 19 VAL QG2 29 VAL HA 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 296, 297, 298,
&end
#
# 21 VAL H 98 ALA QB 5.18
&rst
ixpk= 0, nxpk= 0, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2=1481,1482,1483,
&end
#
# 21 VAL QG2 27 VAL HB 3.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 405, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1= 326, 327, 328,
&end
#
# 23 GLU HG2 100 LYS H 5.67
&rst
ixpk= 0, nxpk= 0, iat= 356,1511, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 25 LEU H 25 LEU QD2 3.16
&rst
ixpk= 0, nxpk= 0, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 384, 385, 386,
&end
#
# 26 SER HA 95 ILE H 5.32
&rst
ixpk= 0, nxpk= 0, iat= 392,1422, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 26 SER HA 97 ASP HA 5.37
&rst
ixpk= 0, nxpk= 0, iat= 392,1467, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 26 SER HB3 97 ASP H 4.39
&rst
ixpk= 0, nxpk= 0, iat= 395,1465, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 28 HIS HD2 29 VAL H 4.09
&rst
ixpk= 0, nxpk= 0, iat= 430, 434, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 28 HIS HE1 83 LEU HB2 3.84
&rst
ixpk= 0, nxpk= 0, iat= 426,1257, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 33 PHE HZ 35 TYR QE 4.08
&rst
ixpk= 0, nxpk= 0, iat= 497, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 526, 531,
&end
#
# 33 PHE QD 91 CYX H 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 493, 501,
&end
#
# 36 PRO HA 37 GLN HG2 4.92
&rst
ixpk= 0, nxpk= 0, iat= 547, 558, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 39 GLY H 40 TRP HD1 4.77
&rst
ixpk= 0, nxpk= 0, iat= 580, 595, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 40 TRP H 115 MET HB2 5.11
&rst
ixpk= 0, nxpk= 0, iat= 587,1774, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 40 TRP HE1 115 MET QE 3.93
&rst
ixpk= 0, nxpk= 0, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1781,1782,1783,
&end
#
# 48 GLY HA2 49 TYR QD 4.58
&rst
ixpk= 0, nxpk= 0, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 722, 731,
&end
#
# 49 TYR QE 111 GLU QG 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=1720,1721,
&end
#
# 50 TRP H 51 PHE HZ 5.70
&rst
ixpk= 0, nxpk= 0, iat= 735, 771, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 50 TRP HE3 107 PHE HA 4.82
&rst
ixpk= 0, nxpk= 0, iat= 754,1632, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 52 ARG H 52 ARG HG3 3.64
&rst
ixpk= 0, nxpk= 0, iat= 779, 787, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 52 ARG H 55 ASP HB2 5.32
&rst
ixpk= 0, nxpk= 0, iat= 779, 824, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 52 ARG HA 106 TYR QE 4.07
&rst
ixpk= 0, nxpk= 0, iat= 781, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2=1619,1624,
&end
#
# 52 ARG HB2 106 TYR QD 5.43
&rst
ixpk= 0, nxpk= 0, iat= 783, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=1617,1626,
&end
#
# 53 ALA QB 107 PHE QE 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 807, 808, 809,
igr2=1640,1644,
&end
#
# 55 ASP H 55 ASP HB3 4.22
&rst
ixpk= 0, nxpk= 0, iat= 820, 825, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 57 PRO HG2 107 PHE HZ 5.20
&rst
ixpk= 0, nxpk= 0, iat= 860,1642, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 66 ASN HB3 82 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 989,1239, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 ASN HD21 70 ARG HB3 5.12
&rst
ixpk= 0, nxpk= 0, iat=1008,1043, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 68 PRO HG2 70 ARG H 5.61
&rst
ixpk= 0, nxpk= 0, iat=1016,1038, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end
#
# 76 THR QG2 80 PHE HZ 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1209, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=1141,1142,1143,
&end
#
# 79 ARG HB2 80 PHE QD 4.21
&rst
ixpk= 0, nxpk= 0, iat=1177, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1205,1213,
&end
#
# 79 ARG HH12 99 ARG HG2 5.80
&rst
ixpk= 0, nxpk= 0, iat=1190,1494, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 7 TYR HB2 123 LEU QD2 5.41
&rst
ixpk= 0, nxpk= 0, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2=1928,1929,1930,
&end
#
# 7 TYR QD 123 LEU HB2 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1919, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 104, 113,
&end
#
# 7 TYR QD 123 LEU HG 5.72
&rst
ixpk= 0, nxpk= 0, iat= -1,1922, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1= 104, 113,
&end
#
# 7 TYR QE 122 GLN HG3 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1906, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 106, 111,
&end
#
# 81 GLN HG3 94 SER QB 6.30
&rst
ixpk= 0, nxpk= 0, iat=1225, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr2=1415,1416,
&end
#
# 88 SER H 89 ASN H 4.13
&rst
ixpk= 0, nxpk= 0, iat=1334,1345, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 95 ILE HA 96 ARG QB 4.80
&rst
ixpk= 0, nxpk= 0, iat=1424, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1445,1446,
&end
#
# 98 ALA QB 135 THR H 5.58
&rst
ixpk= 0, nxpk= 0, iat= -1,2126, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1=1481,1482,1483,
&end
#
# 9 ASP HA 10 GLY H 3.19
&rst
ixpk= 0, nxpk= 0, iat= 126, 136, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 110 LEU HG 111 GLU HA 5.80
&rst
ixpk= 0, nxpk= 0, iat=1701,1715, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 110 LEU QD1 115 MET H 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1770, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1703,1704,1705,
&end
#
# 112 ARG HA 113 GLY H 3.63
&rst
ixpk= 0, nxpk= 0, iat=1730,1752, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 113 GLY HA2 115 MET H 5.46
&rst
ixpk= 0, nxpk= 0, iat=1754,1770, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 113 GLY HA3 114 SER H 3.43
&rst
ixpk= 0, nxpk= 0, iat=1755,1759, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 11 TYR QD 115 MET QE 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 151, 160,
igr2=1781,1782,1783,
&end
#
# 123 LEU HB2 123 LEU QD1 2.95
&rst
ixpk= 0, nxpk= 0, iat=1919, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2=1924,1925,1926,
&end
#
# 12 LEU HG 34 SER H 5.57
&rst
ixpk= 0, nxpk= 0, iat= 171, 505, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 12 LEU QD2 14 GLN HG3 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 210, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 177, 178, 179,
&end
#
# 137 LEU QD1 138 THR H 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1,2169, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=2159,2160,2161,
&end
#
# 13 LEU HB3 33 PHE HB2 5.41
&rst
ixpk= 0, nxpk= 0, iat= 188, 489, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 13 LEU QD2 119 TYR HB2 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1848, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 196, 197, 198,
&end
#
# 143 VAL H 143 VAL QG1 4.83
&rst
ixpk= 0, nxpk= 0, iat=2237, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=2243,2244,2245,
&end
#
# 19 VAL H 133 PHE HB2 5.13
&rst
ixpk= 0, nxpk= 0, iat= 286,2094, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 19 VAL HB 132 VAL HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= 290,2076, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 20 THR HA 135 THR H 5.76
&rst
ixpk= 0, nxpk= 0, iat= 304,2126, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end
#
# 21 VAL QG2 25 LEU QD1 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 326, 327, 328,
igr2= 380, 381, 382,
&end
#
# 22 GLN HE22 25 LEU QD1 4.05
&rst
ixpk= 0, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 380, 381, 382,
&end
#
# 23 GLU HA 100 LYS HG2 5.80
&rst
ixpk= 0, nxpk= 0, iat= 351,1518, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 28 HIS HA 28 HIS HD2 3.90
&rst
ixpk= 0, nxpk= 0, iat= 419, 430, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 28 HIS HD2 29 VAL QG2 5.10
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 444, 445, 446,
&end
#
# 28 HIS HD2 30 PRO HG3 4.58
&rst
ixpk= 0, nxpk= 0, iat= 430, 455, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 28 HIS HE1 94 SER QB 5.40
&rst
ixpk= 0, nxpk= 0, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=1415,1416,
&end
#
# 30 PRO HA 31 CYX H 3.23
&rst
ixpk= 0, nxpk= 0, iat= 460, 464, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 33 PHE QD 110 LEU QD2 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 493, 501,
igr2=1707,1708,1709,
&end
#
# 35 TYR H 35 TYR QD 3.90
&rst
ixpk= 0, nxpk= 0, iat= 516, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 524, 533,
&end
#
# 36 PRO HA 37 GLN H 3.18
&rst
ixpk= 0, nxpk= 0, iat= 547, 551, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 36 PRO HA 38 ASP H 5.43
&rst
ixpk= 0, nxpk= 0, iat= 547, 568, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 38 ASP H 115 MET QE 3.72
&rst
ixpk= 0, nxpk= 0, iat= 568, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1781,1782,1783,
&end
#
# 45 PRO HG2 86 ILE QD1 5.22
&rst
ixpk= 0, nxpk= 0, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2=1304,1305,1306,
&end
#
# 46 VAL QG2 87 TRP HE3 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1329, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 684, 685, 686,
&end
#
# 47 HIS H 111 GLU H 4.80
&rst
ixpk= 0, nxpk= 0, iat= 690,1713, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 47 HIS HD2 66 ASN HA 5.63
&rst
ixpk= 0, nxpk= 0, iat= 703, 986, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 48 GLY H 49 TYR QD 5.24
&rst
ixpk= 0, nxpk= 0, iat= 707, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 722, 731,
&end
#
# 48 GLY HA2 111 GLU H 4.51
&rst
ixpk= 0, nxpk= 0, iat= 709,1713, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 49 TYR H 111 GLU H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 714,1713, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 49 TYR HB3 51 PHE QD 4.38
&rst
ixpk= 0, nxpk= 0, iat= 719, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 767, 775,
&end
#
# 49 TYR QD 62 PRO HG3 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 722, 731,
&end
#
# 50 TRP HD1 64 ALA H 5.34
&rst
ixpk= 0, nxpk= 0, iat= 743, 960, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &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 HB2 4.01
&rst
ixpk= 0, nxpk= 0, iat= 748,1654, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 53 ALA H 107 PHE QE 4.58
&rst
ixpk= 0, nxpk= 0, iat= 803, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1640,1644,
&end
#
# 55 ASP H 107 PHE HZ 4.79
&rst
ixpk= 0, nxpk= 0, iat= 820,1642, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 5 ARG HB3 6 GLN H 3.66
&rst
ixpk= 0, nxpk= 0, iat= 60, 79, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 5 ARG HG3 9 ASP HB3 4.23
&rst
ixpk= 0, nxpk= 0, iat= 63, 129, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 60 ASP HB3 61 ALA H 3.96
&rst
ixpk= 0, nxpk= 0, iat= 913, 920, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 63 VAL HA 80 PHE QD 5.30
&rst
ixpk= 0, nxpk= 0, iat= 946, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr2=1205,1213,
&end
#
# 63 VAL QG1 73 GLN HE21 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1106, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 950, 951, 952,
&end
#
# 63 VAL QG1 73 GLN HG2 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1100, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 950, 951, 952,
&end
#
# 64 ALA H 80 PHE HB3 4.93
&rst
ixpk= 0, nxpk= 0, iat= 960,1202, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 64 ALA HA 80 PHE HB2 4.51
&rst
ixpk= 0, nxpk= 0, iat= 962,1201, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 65 THR QG2 73 GLN H 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1093, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 976, 977, 978,
&end
#
# 66 ASN HA 67 ASN HD21 5.80
&rst
ixpk= 0, nxpk= 0, iat= 986,1008, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 6 GLN HE22 9 ASP H 4.30
&rst
ixpk= 0, nxpk= 0, iat= 91, 124, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 70 ARG HA 71 GLU HG2 4.91
&rst
ixpk= 0, nxpk= 0, iat=1040,1069, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 71 GLU HG3 72 VAL HA 4.59
&rst
ixpk= 0, nxpk= 0, iat=1070,1079, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 73 GLN HA 77 GLN H 5.80
&rst
ixpk= 0, nxpk= 0, iat=1095,1149, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 74 ALA QB 75 GLU QG 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=1114,1115,1116,
igr2=1127,1128,
&end
#
# 75 GLU QB 76 THR QG2 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1124,1125,
igr2=1141,1142,1143,
&end
#
# 76 THR QG2 95 ILE QG2 5.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1141,1142,1143,
igr2=1428,1429,1430,
&end
#
# 77 GLN HA 79 ARG H 4.28
&rst
ixpk= 0, nxpk= 0, iat=1151,1173, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 79 ARG H 96 ARG H 5.80
&rst
ixpk= 0, nxpk= 0, iat=1173,1441, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 79 ARG HG3 79 ARG HE 4.38
&rst
ixpk= 0, nxpk= 0, iat=1181,1186, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 79 ARG HH22 99 ARG H 5.18
&rst
ixpk= 0, nxpk= 0, iat=1193,1487, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 7 TYR QD 117 TRP HH2 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1824, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 104, 113,
&end
#
# 7 TYR QE 122 GLN HG2 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1905, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 106, 111,
&end
#
# 86 ILE HA 88 SER H 5.21
&rst
ixpk= 0, nxpk= 0, iat=1293,1334, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 87 TRP HB3 87 TRP HE3 3.93
&rst
ixpk= 0, nxpk= 0, iat=1315,1329, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 89 ASN H 90 ASP H 4.11
&rst
ixpk= 0, nxpk= 0, iat=1345,1359, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 8 GLY HA3 9 ASP HB2 5.80
&rst
ixpk= 0, nxpk= 0, iat= 120, 128, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 95 ILE QD1 106 TYR HH 5.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1622, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1=1435,1436,1437,
&end
#
# 99 ARG HA 100 LYS HA 5.33
&rst
ixpk= 0, nxpk= 0, iat=1489,1513, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 99 ARG HB3 100 LYS H 4.32
&rst
ixpk= 0, nxpk= 0, iat=1492,1511, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 9 ASP H 11 TYR QE 5.80
&rst
ixpk= 0, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2= 153, 158,
&end
#
# 100 LYS HA 100 LYS HG3 4.20
&rst
ixpk= 0, nxpk= 0, iat=1513,1519, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 100 LYS HA 100 LYS QD 3.32
&rst
ixpk= 0, nxpk= 0, iat=1513, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2=1521,1522,
&end
#
# 100 LYS HA 134 VAL HB 3.78
&rst
ixpk= 0, nxpk= 0, iat=1513,2114, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 100 LYS HA 134 VAL QG2 3.42
&rst
ixpk= 0, nxpk= 0, iat=1513, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=2120,2121,2122,
&end
#
# 103 LYS HB2 133 PHE HA 4.13
&rst
ixpk= 0, nxpk= 0, iat=1573,2092, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 106 TYR QD 130 LEU HG 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1,2051, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=1617,1626,
&end
#
# 107 PHE H 129 GLN HG2 5.10
&rst
ixpk= 0, nxpk= 0, iat=1630,2034, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 108 PHE H 129 GLN HG3 5.80
&rst
ixpk= 0, nxpk= 0, iat=1650,2035, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 108 PHE HA 109 ARG H 3.51
&rst
ixpk= 0, nxpk= 0, iat=1652,1670, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 109 ARG HG2 110 LEU H 5.06
&rst
ixpk= 0, nxpk= 0, iat=1677,1694, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 111 GLU QG 116 LYS QD 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1720,1721,
igr2=1797,1798,
&end
#
# 112 ARG H 116 LYS HG2 4.96
&rst
ixpk= 0, nxpk= 0, iat=1728,1794, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 116 LYS H 116 LYS HG2 5.13
&rst
ixpk= 0, nxpk= 0, iat=1787,1794, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 116 LYS H 116 LYS HG3 5.13
&rst
ixpk= 0, nxpk= 0, iat=1787,1795, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 116 LYS H 116 LYS QD 4.67
&rst
ixpk= 0, nxpk= 0, iat=1787, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=1797,1798,
&end
#
# 116 LYS HA 117 TRP H 3.82
&rst
ixpk= 0, nxpk= 0, iat=1789,1809, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 116 LYS HG3 116 LYS QE 3.52
&rst
ixpk= 0, nxpk= 0, iat=1795, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=1800,1801,
&end
#
# 117 TRP HZ2 125 TYR QE 3.76
&rst
ixpk= 0, nxpk= 0, iat=1822, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=1958,1963,
&end
#
# 11 TYR H 12 LEU H 4.12
&rst
ixpk= 0, nxpk= 0, iat= 143, 164, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 11 TYR QE 35 TYR HB3 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 153, 158,
&end
#
# 11 TYR QE 36 PRO HG2 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 153, 158,
&end
#
# 11 TYR QE 36 PRO HG3 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 153, 158,
&end
#
# 121 SER HA 125 TYR QE 4.37
&rst
ixpk= 0, nxpk= 0, iat=1889, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1958,1963,
&end
#
# 121 SER HB3 127 THR H 4.33
&rst
ixpk= 0, nxpk= 0, iat=1892,1991, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 122 GLN HA 125 TYR H 5.30
&rst
ixpk= 0, nxpk= 0, iat=1900,1948, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 123 LEU HA 123 LEU HB3 3.19
&rst
ixpk= 0, nxpk= 0, iat=1917,1920, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 123 LEU HA 126 LYS QE 5.36
&rst
ixpk= 0, nxpk= 0, iat=1917, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=1982,1983,
&end
#
# 124 ASN H 124 ASN HD21 5.11
&rst
ixpk= 0, nxpk= 0, iat=1934,1944, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 124 ASN H 125 TYR H 4.12
&rst
ixpk= 0, nxpk= 0, iat=1934,1948, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 125 TYR H 126 LYS QD 5.54
&rst
ixpk= 0, nxpk= 0, iat=1948, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2=1979,1980,
&end
#
# 127 THR H 127 THR HB 3.95
&rst
ixpk= 0, nxpk= 0, iat=1991,1995, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 12 LEU HA 13 LEU H 3.05
&rst
ixpk= 0, nxpk= 0, iat= 166, 183, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 130 LEU HA 130 LEU QD2 4.41
&rst
ixpk= 0, nxpk= 0, iat=2046, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=2057,2058,2059,
&end
#
# 131 SER HB3 133 PHE QE 4.88
&rst
ixpk= 0, nxpk= 0, iat=2068, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=2100,2104,
&end
#
# 134 VAL H 135 THR HA 5.31
&rst
ixpk= 0, nxpk= 0, iat=2110,2128, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 137 LEU H 137 LEU HG 2.96
&rst
ixpk= 0, nxpk= 0, iat=2150,2157, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 139 HIS HA 139 HIS HD2 4.59
&rst
ixpk= 0, nxpk= 0, iat=2185,2196, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 13 LEU QD1 107 PHE HA 5.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1632, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 192, 193, 194,
&end
#
# 13 LEU QD2 130 LEU H 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1,2044, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 196, 197, 198,
&end
#
# 13 LEU QD2 50 TRP HZ3 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 752, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1= 196, 197, 198,
&end
#
# 141 SER QB 143 VAL H 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1,2237, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=2211,2212,
&end
#
# 143 VAL H 143 VAL HA 2.89
&rst
ixpk= 0, nxpk= 0, iat=2237,2239, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 143 VAL H 143 VAL QG2 3.29
&rst
ixpk= 0, nxpk= 0, iat=2237, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=2247,2248,2249,
&end
#
# 15 VAL QG1 107 PHE HA 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1632, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 225, 226, 227,
&end
#
# 15 VAL QG1 129 GLN HB2 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1,2031, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 225, 226, 227,
&end
#
# 16 GLN HB3 16 GLN QG 2.97
&rst
ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr2= 242, 243,
&end
#
# 16 GLN QG 29 VAL QG1 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 242, 243,
igr2= 440, 441, 442,
&end
#
# 17 GLU HA 130 LEU HA 4.78
&rst
ixpk= 0, nxpk= 0, iat= 254,2046, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 17 GLU HB2 18 LEU HB3 4.46
&rst
ixpk= 0, nxpk= 0, iat= 256, 272, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 17 GLU QG 128 LYS HD2 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1,2015, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 259, 260,
&end
#
# 18 LEU HA 133 PHE QD 5.20
&rst
ixpk= 0, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=2098,2106,
&end
#
# 19 VAL HA 133 PHE H 5.33
&rst
ixpk= 0, nxpk= 0, iat= 288,2090, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 19 VAL QG1 95 ILE QD1 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 292, 293, 294,
igr2=1435,1436,1437,
&end
#
# 20 THR HA 21 VAL QG1 4.00
&rst
ixpk= 0, nxpk= 0, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 322, 323, 324,
&end
#
# 21 VAL HA 135 THR QG2 4.49
&rst
ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=2132,2133,2134,
&end
#
# 21 VAL HA 25 LEU QD1 6.30
&rst
ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr2= 380, 381, 382,
&end
#
# 21 VAL QG1 95 ILE QG2 3.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 322, 323, 324,
igr2=1428,1429,1430,
&end
#
# 22 GLN HE21 135 THR QG2 4.13
&rst
ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=2132,2133,2134,
&end
#
# 22 GLN HG3 135 THR H 5.21
&rst
ixpk= 0, nxpk= 0, iat= 340,2126, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 22 GLN HG2 137 LEU HA 5.08
&rst
ixpk= 0, nxpk= 0, iat= 339,2152, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 22 GLN QB 137 LEU QD2 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 336, 337,
igr2=2163,2164,2165,
&end
#
# 25 LEU HB3 25 LEU QD1 2.93
&rst
ixpk= 0, nxpk= 0, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2= 380, 381, 382,
&end
#
# 25 LEU QD2 26 SER HA 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 384, 385, 386,
&end
#
# 26 SER HB3 27 VAL HA 5.80
&rst
ixpk= 0, nxpk= 0, iat= 395, 403, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 27 VAL QG1 95 ILE QD1 2.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 407, 408, 409,
igr2=1435,1436,1437,
&end
#
# 28 HIS HE1 83 LEU QD1 3.16
&rst
ixpk= 0, nxpk= 0, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=1262,1263,1264,
&end
#
# 29 VAL H 92 SER HB3 4.61
&rst
ixpk= 0, nxpk= 0, iat= 434,1386, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 29 VAL H 94 SER QB 4.71
&rst
ixpk= 0, nxpk= 0, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2=1415,1416,
&end
#
# 29 VAL QG2 93 LEU QD2 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 444, 445, 446,
igr2=1405,1406,1407,
&end
#
# 30 PRO HA 31 CYX HA 4.97
&rst
ixpk= 0, nxpk= 0, iat= 460, 466, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 30 PRO HA 31 CYX HB3 5.09
&rst
ixpk= 0, nxpk= 0, iat= 460, 469, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 31 CYX HA 50 TRP HZ2 4.96
&rst
ixpk= 0, nxpk= 0, iat= 466, 748, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 31 CYX HB3 91 CYX H 5.03
&rst
ixpk= 0, nxpk= 0, iat= 469,1371, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 32 SER H 32 SER HB3 4.06
&rst
ixpk= 0, nxpk= 0, iat= 474, 479, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 33 PHE QD 35 TYR QE 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 493, 501,
igr2= 526, 531,
&end
#
# 33 PHE QD 91 CYX HA 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1373, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 493, 501,
&end
#
# 33 PHE QE 46 VAL QG2 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr1= 495, 499,
igr2= 684, 685, 686,
&end
#
# 35 TYR QD 36 PRO HD3 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 524, 533,
&end
#
# 36 PRO HB2 38 ASP HB3 4.53
&rst
ixpk= 0, nxpk= 0, iat= 544, 573, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 39 GLY H 115 MET QE 5.30
&rst
ixpk= 0, nxpk= 0, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2=1781,1782,1783,
&end
#
# 40 TRP HD1 110 LEU QD1 5.38
&rst
ixpk= 0, nxpk= 0, iat= 595, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr2=1703,1704,1705,
&end
#
# 40 TRP HD1 115 MET HG3 4.92
&rst
ixpk= 0, nxpk= 0, iat= 595,1778, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 43 SER HA 87 TRP HH2 4.63
&rst
ixpk= 0, nxpk= 0, iat= 639,1325, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 44 ASP H 44 ASP HB2 3.98
&rst
ixpk= 0, nxpk= 0, iat= 648, 652, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 44 ASP HA 45 PRO HG3 4.78
&rst
ixpk= 0, nxpk= 0, iat= 650, 665, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 46 VAL HA 110 LEU QD1 4.38
&rst
ixpk= 0, nxpk= 0, iat= 676, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1703,1704,1705,
&end
#
# 46 VAL QG2 86 ILE HB 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 684, 685, 686,
&end
#
# 46 VAL QG2 87 TRP HZ3 5.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1327, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 684, 685, 686,
&end
#
# 47 HIS HA 48 GLY H 3.39
&rst
ixpk= 0, nxpk= 0, iat= 692, 707, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 47 HIS HA 49 TYR QE 4.84
&rst
ixpk= 0, nxpk= 0, iat= 692, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 724, 729,
&end
#
# 47 HIS HB2 49 TYR QE 3.70
&rst
ixpk= 0, nxpk= 0, iat= 694, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 724, 729,
&end
#
# 48 GLY H 66 ASN H 5.04
&rst
ixpk= 0, nxpk= 0, iat= 707, 984, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 48 GLY H 67 ASN HD21 5.73
&rst
ixpk= 0, nxpk= 0, iat= 707,1008, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end
#
# 49 TYR H 109 ARG HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 714,1672, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 TYR HA 50 TRP H 3.42
&rst
ixpk= 0, nxpk= 0, iat= 716, 735, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 49 TYR HB3 109 ARG HG2 5.11
&rst
ixpk= 0, nxpk= 0, iat= 719,1677, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 49 TYR QD 50 TRP H 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 735, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 722, 731,
&end
#
# 49 TYR QD 62 PRO HD3 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 932, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 722, 731,
&end
#
# 49 TYR QE 111 GLU HA 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1,1715, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 724, 729,
&end
#
# 50 TRP HE3 106 TYR HB3 3.75
&rst
ixpk= 0, nxpk= 0, iat= 754,1614, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 50 TRP HE3 93 LEU QD2 4.98
&rst
ixpk= 0, nxpk= 0, iat= 754, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1405,1406,1407,
&end
#
# 50 TRP HH2 129 GLN HA 5.03
&rst
ixpk= 0, nxpk= 0, iat= 750,2029, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 51 PHE H 108 PHE H 5.34
&rst
ixpk= 0, nxpk= 0, iat= 759,1650, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 51 PHE HA 107 PHE H 5.26
&rst
ixpk= 0, nxpk= 0, iat= 761,1630, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 52 ARG HB2 106 TYR QE 5.08
&rst
ixpk= 0, nxpk= 0, iat= 783, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1619,1624,
&end
#
# 52 ARG HB3 53 ALA H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 784, 803, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 53 ALA QB 107 PHE H 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1630, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 807, 808, 809,
&end
#
# 56 ARG HA 107 PHE HZ 4.57
&rst
ixpk= 0, nxpk= 0, iat= 834,1642, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 57 PRO HB3 107 PHE QE 4.06
&rst
ixpk= 0, nxpk= 0, iat= 864, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1640,1644,
&end
#
# 57 PRO HD2 107 PHE HZ 4.31
&rst
ixpk= 0, nxpk= 0, iat= 857,1642, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 5 ARG QD 9 ASP H 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 124, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 65, 66,
&end
#
# 60 ASP HA 61 ALA QB 4.47
&rst
ixpk= 0, nxpk= 0, iat= 910, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 924, 925, 926,
&end
#
# 62 PRO HD3 72 VAL QG1 5.25
&rst
ixpk= 0, nxpk= 0, iat= 932, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=1083,1084,1085,
&end
#
# 63 VAL H 73 GLN HG2 5.09
&rst
ixpk= 0, nxpk= 0, iat= 944,1100, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 64 ALA QB 94 SER H 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1411, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 964, 965, 966,
&end
#
# 66 ASN HB2 67 ASN H 5.11
&rst
ixpk= 0, nxpk= 0, iat= 988, 998, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 67 ASN HA 68 PRO HB2 5.80
&rst
ixpk= 0, nxpk= 0, iat=1000,1019, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 67 ASN HB3 68 PRO HA 5.43
&rst
ixpk= 0, nxpk= 0, iat=1003,1022, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 67 ASN HD22 70 ARG H 5.72
&rst
ixpk= 0, nxpk= 0, iat=1007,1038, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, &end
#
# 6 GLN HG2 6 GLN HE21 3.51
&rst
ixpk= 0, nxpk= 0, iat= 86, 92, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 71 GLU HG2 72 VAL H 4.07
&rst
ixpk= 0, nxpk= 0, iat=1069,1077, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 71 GLU QB 72 VAL H 3.13
&rst
ixpk= 0, nxpk= 0, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr1=1066,1067,
&end
#
# 76 THR HA 76 THR HB 2.82
&rst
ixpk= 0, nxpk= 0, iat=1137,1139, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, &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
#
# 7 TYR QD 123 LEU QD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 104, 113,
igr2=1928,1929,1930,
&end
#
# 80 PHE HA 81 GLN HA 4.70
&rst
ixpk= 0, nxpk= 0, iat=1199,1219, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 80 PHE HZ 95 ILE HG12 5.37
&rst
ixpk= 0, nxpk= 0, iat=1209,1432, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 80 PHE QE 95 ILE HB 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1426, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=1207,1211,
&end
#
# 81 GLN HG3 81 GLN HE21 3.61
&rst
ixpk= 0, nxpk= 0, iat=1225,1230, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 82 LEU HA 82 LEU HG 3.63
&rst
ixpk= 0, nxpk= 0, iat=1236,1241, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 82 LEU HA 93 LEU QD1 3.83
&rst
ixpk= 0, nxpk= 0, iat=1236, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1401,1402,1403,
&end
#
# 82 LEU HB2 82 LEU QD1 3.18
&rst
ixpk= 0, nxpk= 0, iat=1238, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1243,1244,1245,
&end
#
# 82 LEU HG 83 LEU H 5.29
&rst
ixpk= 0, nxpk= 0, iat=1241,1253, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 87 TRP HA 87 TRP HE3 3.77
&rst
ixpk= 0, nxpk= 0, iat=1312,1329, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 8 GLY H 9 ASP H 3.47
&rst
ixpk= 0, nxpk= 0, iat= 117, 124, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 8 GLY H 9 ASP HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 117, 128, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 93 LEU HB3 93 LEU QD1 3.93
&rst
ixpk= 0, nxpk= 0, iat=1397, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1401,1402,1403,
&end
#
# 93 LEU HG 95 ILE HA 4.89
&rst
ixpk= 0, nxpk= 0, iat=1399,1424, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 93 LEU HG 95 ILE HG13 4.80
&rst
ixpk= 0, nxpk= 0, iat=1399,1433, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 93 LEU QD2 94 SER QB 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr1=1405,1406,1407,
igr2=1415,1416,
&end
#
# 95 ILE QD1 132 VAL HA 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1,2076, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1=1435,1436,1437,
&end
#
# 95 ILE QD1 132 VAL QG2 3.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1=1435,1436,1437,
igr2=2084,2085,2086,
&end
#
# 96 ARG HA 96 ARG QD 4.45
&rst
ixpk= 0, nxpk= 0, iat=1443, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2=1451,1452,
&end
#
# 96 ARG HA 97 ASP HB3 5.67
&rst
ixpk= 0, nxpk= 0, iat=1443,1470, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 100 LYS H 100 LYS QE 4.52
&rst
ixpk= 0, nxpk= 0, iat=1511, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1524,1525,
&end
#
# 100 LYS H 101 ARG HA 5.52
&rst
ixpk= 0, nxpk= 0, iat=1511,1535, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 100 LYS HG2 134 VAL QG2 4.79
&rst
ixpk= 0, nxpk= 0, iat=1518, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=2120,2121,2122,
&end
#
# 103 LYS HB2 133 PHE QD 5.29
&rst
ixpk= 0, nxpk= 0, iat=1573, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=2098,2106,
&end
#
# 103 LYS HB3 134 VAL QG2 3.39
&rst
ixpk= 0, nxpk= 0, iat=1574, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=2120,2121,2122,
&end
#
# 104 GLY HA2 106 TYR QE 5.73
&rst
ixpk= 0, nxpk= 0, iat=1593, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2=1619,1624,
&end
#
# 104 GLY HA3 106 TYR QE 5.26
&rst
ixpk= 0, nxpk= 0, iat=1594, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=1619,1624,
&end
#
# 106 TYR H 106 TYR QE 5.51
&rst
ixpk= 0, nxpk= 0, iat=1609, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2=1619,1624,
&end
#
# 106 TYR HA 107 PHE QE 5.10
&rst
ixpk= 0, nxpk= 0, iat=1611, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1640,1644,
&end
#
# 106 TYR HB3 130 LEU H 5.73
&rst
ixpk= 0, nxpk= 0, iat=1614,2044, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &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 HB2 129 GLN HG3 5.21
&rst
ixpk= 0, nxpk= 0, iat=1634,2035, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 107 PHE HB3 108 PHE H 4.74
&rst
ixpk= 0, nxpk= 0, iat=1635,1650, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 10 GLY HA3 36 PRO HA 5.80
&rst
ixpk= 0, nxpk= 0, iat= 139, 547, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 110 LEU QD1 115 MET QE 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=1703,1704,1705,
igr2=1781,1782,1783,
&end
#
# 115 MET HA 116 LYS QD 5.80
&rst
ixpk= 0, nxpk= 0, iat=1772, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=1797,1798,
&end
#
# 119 TYR HA 127 THR QG2 3.57
&rst
ixpk= 0, nxpk= 0, iat=1846, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=1997,1998,1999,
&end
#
# 11 TYR H 125 TYR QE 4.28
&rst
ixpk= 0, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1958,1963,
&end
#
# 11 TYR HA 119 TYR QE 4.84
&rst
ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1854,1859,
&end
#
# 11 TYR QB 119 TYR QE 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 147, 148,
igr2=1854,1859,
&end
#
# 11 TYR QB 12 LEU H 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 147, 148,
&end
#
# 11 TYR QD 125 TYR QE 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 151, 160,
igr2=1958,1963,
&end
#
# 120 LYS HG2 121 SER H 5.17
&rst
ixpk= 0, nxpk= 0, iat=1872,1887, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 121 SER H 127 THR H 5.04
&rst
ixpk= 0, nxpk= 0, iat=1887,1991, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 121 SER HA 127 THR QG2 3.92
&rst
ixpk= 0, nxpk= 0, iat=1889, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1997,1998,1999,
&end
#
# 121 SER HB3 129 GLN HE22 4.56
&rst
ixpk= 0, nxpk= 0, iat=1892,2039, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 126 LYS H 126 LYS QE 4.64
&rst
ixpk= 0, nxpk= 0, iat=1969, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1982,1983,
&end
#
# 127 THR QG2 129 GLN HE21 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1,2040, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1997,1998,1999,
&end
#
# 128 LYS H 128 LYS QE 4.92
&rst
ixpk= 0, nxpk= 0, iat=2005, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=2018,2019,
&end
#
# 12 LEU H 33 PHE HB2 5.80
&rst
ixpk= 0, nxpk= 0, iat= 164, 489, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 12 LEU HA 119 TYR QE 5.28
&rst
ixpk= 0, nxpk= 0, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1854,1859,
&end
#
# 12 LEU HG 34 SER QB 4.27
&rst
ixpk= 0, nxpk= 0, iat= 171, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 509, 510,
&end
#
# 12 LEU QD1 34 SER H 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 505, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 173, 174, 175,
&end
#
# 130 LEU HA 131 SER HB2 4.63
&rst
ixpk= 0, nxpk= 0, iat=2046,2067, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 130 LEU QD1 132 VAL HA 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1,2076, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=2053,2054,2055,
&end
#
# 138 THR HA 139 HIS HB3 5.08
&rst
ixpk= 0, nxpk= 0, iat=2171,2188, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 138 THR QG2 139 HIS HB2 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2187, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=2175,2176,2177,
&end
#
# 13 LEU HB3 13 LEU QD2 3.52
&rst
ixpk= 0, nxpk= 0, iat= 188, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 196, 197, 198,
&end
#
# 13 LEU HB3 33 PHE HA 5.62
&rst
ixpk= 0, nxpk= 0, iat= 188, 487, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 13 LEU QD2 119 TYR HB3 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1849, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 196, 197, 198,
&end
#
# 141 SER HA 141 SER QB 2.76
&rst
ixpk= 0, nxpk= 0, iat=2209, -1, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,
igr2=2211,2212,
&end
#
# 141 SER QB 142 LEU H 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1,2218, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=2211,2212,
&end
#
# 145 ARG H 145 ARG QG 3.67
&rst
ixpk= 0, nxpk= 0, iat=2267, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=2274,2275,
&end
#
# 15 VAL H 128 LYS HG2 4.12
&rst
ixpk= 0, nxpk= 0, iat= 219,2012, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 15 VAL QG1 50 TRP HZ3 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 752, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 225, 226, 227,
&end
#
# 15 VAL QG2 130 LEU HB3 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1,2049, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 229, 230, 231,
&end
#
# 15 VAL QG2 16 GLN HB3 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 229, 230, 231,
&end
#
# 16 GLN H 19 VAL QG2 4.93
&rst
ixpk= 0, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 296, 297, 298,
&end
#
# 16 GLN QG 20 THR H 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 242, 243,
&end
#
# 17 GLU QG 18 LEU H 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 267, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 259, 260,
&end
#
# 18 LEU HB3 18 LEU QD2 2.96
&rst
ixpk= 0, nxpk= 0, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 280, 281, 282,
&end
#
# 18 LEU HG 131 SER HB2 5.80
&rst
ixpk= 0, nxpk= 0, iat= 274,2067, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 19 VAL HB 20 THR HA 5.71
&rst
ixpk= 0, nxpk= 0, iat= 290, 304, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end
#
# 21 VAL HA 22 GLN QB 4.35
&rst
ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 336, 337,
&end
#
# 21 VAL QG1 134 VAL HA 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1,2112, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 322, 323, 324,
&end
#
# 21 VAL QG2 22 GLN HA 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 334, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 326, 327, 328,
&end
#
# 22 GLN HA 25 LEU QD2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 384, 385, 386,
&end
#
# 22 GLN HG2 135 THR H 5.75
&rst
ixpk= 0, nxpk= 0, iat= 339,2126, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 23 GLU H 23 GLU HB3 3.52
&rst
ixpk= 0, nxpk= 0, iat= 349, 354, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 23 GLU HA 24 GLY HA2 4.70
&rst
ixpk= 0, nxpk= 0, iat= 351, 366, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 23 GLU HB3 135 THR H 5.65
&rst
ixpk= 0, nxpk= 0, iat= 354,2126, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, &end
#
# 25 LEU HA 26 SER H 3.20
&rst
ixpk= 0, nxpk= 0, iat= 373, 390, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 27 VAL QG1 29 VAL HA 5.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1= 407, 408, 409,
&end
#
# 28 HIS H 28 HIS QB 3.18
&rst
ixpk= 0, nxpk= 0, iat= 417, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2= 421, 422,
&end
#
# 28 HIS HA 93 LEU H 5.58
&rst
ixpk= 0, nxpk= 0, iat= 419,1392, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &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 HD2 83 LEU HB2 5.74
&rst
ixpk= 0, nxpk= 0, iat= 430,1257, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, &end
#
# 29 VAL H 83 LEU QD1 4.26
&rst
ixpk= 0, nxpk= 0, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1262,1263,1264,
&end
#
# 29 VAL QG1 50 TRP HZ2 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 440, 441, 442,
&end
#
# 2 GLU HB3 2 GLU QG 2.95
&rst
ixpk= 0, nxpk= 0, iat= 26, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr2= 28, 29,
&end
#
# 30 PRO HA 92 SER HB3 4.45
&rst
ixpk= 0, nxpk= 0, iat= 460,1386, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 31 CYX HA 32 SER H 2.93
&rst
ixpk= 0, nxpk= 0, iat= 466, 474, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 31 CYX HB3 92 SER HA 4.32
&rst
ixpk= 0, nxpk= 0, iat= 469,1383, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 33 PHE QD 34 SER HA 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 507, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 493, 501,
&end
#
# 33 PHE QE 91 CYX HA 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1,1373, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 495, 499,
&end
#
# 35 TYR QD 89 ASN HD22 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1354, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 524, 533,
&end
#
# 35 TYR QE 112 ARG HE 5.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1741, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 526, 531,
&end
#
# 35 TYR QE 89 ASN HD22 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1354, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 526, 531,
&end
#
# 36 PRO HA 37 GLN HE21 5.10
&rst
ixpk= 0, nxpk= 0, iat= 547, 564, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 37 GLN H 37 GLN HE21 4.23
&rst
ixpk= 0, nxpk= 0, iat= 551, 564, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 37 GLN HB3 37 GLN HE21 4.05
&rst
ixpk= 0, nxpk= 0, iat= 556, 564, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 37 GLN HB2 37 GLN HE21 4.29
&rst
ixpk= 0, nxpk= 0, iat= 555, 564, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 37 GLN HB2 40 TRP HH2 4.17
&rst
ixpk= 0, nxpk= 0, iat= 555, 602, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 38 ASP HA 39 GLY HA2 4.92
&rst
ixpk= 0, nxpk= 0, iat= 570, 582, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 40 TRP H 40 TRP HD1 4.16
&rst
ixpk= 0, nxpk= 0, iat= 587, 595, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 40 TRP HA 114 SER H 4.28
&rst
ixpk= 0, nxpk= 0, iat= 589,1759, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 40 TRP HD1 115 MET HB2 3.79
&rst
ixpk= 0, nxpk= 0, iat= 595,1774, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 40 TRP HE3 41 THR HA 3.69
&rst
ixpk= 0, nxpk= 0, iat= 606, 613, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 40 TRP HE3 42 ASP HB2 5.51
&rst
ixpk= 0, nxpk= 0, iat= 606, 629, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 40 TRP QB 40 TRP HZ3 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 604, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 591, 592,
&end
#
# 41 THR H 112 ARG HE 4.94
&rst
ixpk= 0, nxpk= 0, iat= 611,1741, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 41 THR H 113 GLY HA2 5.80
&rst
ixpk= 0, nxpk= 0, iat= 611,1754, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 42 ASP HB3 43 SER H 4.23
&rst
ixpk= 0, nxpk= 0, iat= 630, 637, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 44 ASP H 87 TRP HH2 5.45
&rst
ixpk= 0, nxpk= 0, iat= 648,1325, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 44 ASP HB2 112 ARG HE 5.16
&rst
ixpk= 0, nxpk= 0, iat= 652,1741, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 44 ASP HB3 112 ARG HE 5.16
&rst
ixpk= 0, nxpk= 0, iat= 653,1741, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 49 TYR HA 49 TYR QE 5.10
&rst
ixpk= 0, nxpk= 0, iat= 716, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 724, 729,
&end
#
# 49 TYR QD 65 THR HB 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 974, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 722, 731,
&end
#
# 50 TRP H 51 PHE H 4.81
&rst
ixpk= 0, nxpk= 0, iat= 735, 759, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 50 TRP HB3 93 LEU QD1 4.19
&rst
ixpk= 0, nxpk= 0, iat= 740, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1401,1402,1403,
&end
#
# 50 TRP HE1 93 LEU HB2 4.64
&rst
ixpk= 0, nxpk= 0, iat= 745,1396, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 50 TRP HE3 106 TYR HB2 3.89
&rst
ixpk= 0, nxpk= 0, iat= 754,1613, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 50 TRP HH2 130 LEU HB3 4.23
&rst
ixpk= 0, nxpk= 0, iat= 750,2049, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 51 PHE H 51 PHE QE 5.34
&rst
ixpk= 0, nxpk= 0, iat= 759, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 769, 773,
&end
#
# 52 ARG H 107 PHE HZ 5.80
&rst
ixpk= 0, nxpk= 0, iat= 779,1642, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 52 ARG H 52 ARG HG2 4.11
&rst
ixpk= 0, nxpk= 0, iat= 779, 786, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 52 ARG H 52 ARG QD 4.74
&rst
ixpk= 0, nxpk= 0, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 789, 790,
&end
#
# 52 ARG HB2 52 ARG HE 5.32
&rst
ixpk= 0, nxpk= 0, iat= 783, 792, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 52 ARG HB3 63 VAL QG1 5.21
&rst
ixpk= 0, nxpk= 0, iat= 784, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2= 950, 951, 952,
&end
#
# 53 ALA QB 105 SER H 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1,1598, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 807, 808, 809,
&end
#
# 53 ALA QB 129 GLN HG2 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1,2034, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 807, 808, 809,
&end
#
# 56 ARG QG 56 ARG HD3 3.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 843, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 839, 840,
&end
#
# 57 PRO HD2 58 TYR H 5.32
&rst
ixpk= 0, nxpk= 0, iat= 857, 870, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 58 TYR H 58 TYR QD 3.50
&rst
ixpk= 0, nxpk= 0, iat= 870, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 878, 887,
&end
#
# 59 GLN H 59 GLN QG 4.02
&rst
ixpk= 0, nxpk= 0, iat= 891, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2= 898, 899,
&end
#
# 5 ARG H 5 ARG HG2 5.13
&rst
ixpk= 0, nxpk= 0, iat= 55, 62, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 63 VAL HB 76 THR HB 5.03
&rst
ixpk= 0, nxpk= 0, iat= 948,1139, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 64 ALA QB 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= 964, 965, 966,
igr2=1205,1213,
&end
#
# 6 GLN H 6 GLN HE22 6.00
&rst
ixpk= 0, nxpk= 0, iat= 79, 91, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 6 GLN HA 124 ASN HD21 5.22
&rst
ixpk= 0, nxpk= 0, iat= 81,1944, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 6 GLN HA 7 TYR HB2 5.44
&rst
ixpk= 0, nxpk= 0, iat= 81, 100, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 6 GLN HE21 124 ASN HD22 5.40
&rst
ixpk= 0, nxpk= 0, iat= 92,1943, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 70 ARG H 70 ARG HB3 3.38
&rst
ixpk= 0, nxpk= 0, iat=1038,1043, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 74 ALA HA 76 THR H 4.29
&rst
ixpk= 0, nxpk= 0, iat=1112,1135, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 79 ARG HB3 80 PHE H 4.26
&rst
ixpk= 0, nxpk= 0, iat=1178,1197, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 7 TYR QE 125 TYR HB2 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1952, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 106, 111,
&end
#
# 80 PHE QE 106 TYR QE 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1=1207,1211,
igr2=1619,1624,
&end
#
# 80 PHE QE 98 ALA HA 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1479, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=1207,1211,
&end
#
# 81 GLN HE21 96 ARG QD 4.41
&rst
ixpk= 0, nxpk= 0, iat=1230, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1451,1452,
&end
#
# 81 GLN HG3 83 LEU QD2 5.80
&rst
ixpk= 0, nxpk= 0, iat=1225, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=1266,1267,1268,
&end
#
# 82 LEU H 82 LEU HB2 3.40
&rst
ixpk= 0, nxpk= 0, iat=1234,1238, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 83 LEU HB3 83 LEU QD2 2.98
&rst
ixpk= 0, nxpk= 0, iat=1258, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2=1266,1267,1268,
&end
#
# 83 LEU HB2 94 SER H 5.52
&rst
ixpk= 0, nxpk= 0, iat=1257,1411, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 83 LEU QD1 93 LEU QD1 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1262,1263,1264,
igr2=1401,1402,1403,
&end
#
# 85 ASP H 88 SER HB2 4.93
&rst
ixpk= 0, nxpk= 0, iat=1279,1338, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 85 ASP H 90 ASP HB3 4.33
&rst
ixpk= 0, nxpk= 0, iat=1279,1364, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 85 ASP HB2 87 TRP H 4.97
&rst
ixpk= 0, nxpk= 0, iat=1283,1310, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 87 TRP H 87 TRP HE1 4.72
&rst
ixpk= 0, nxpk= 0, iat=1310,1320, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 87 TRP H 88 SER HB2 4.56
&rst
ixpk= 0, nxpk= 0, iat=1310,1338, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 87 TRP HB2 88 SER H 4.36
&rst
ixpk= 0, nxpk= 0, iat=1314,1334, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 90 ASP HB3 92 SER H 4.23
&rst
ixpk= 0, nxpk= 0, iat=1364,1381, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 91 CYX H 92 SER HB2 5.80
&rst
ixpk= 0, nxpk= 0, iat=1371,1385, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 93 LEU QD2 106 TYR QD 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1=1405,1406,1407,
igr2=1617,1626,
&end
#
# 95 ILE QG2 96 ARG HA 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1443, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1428,1429,1430,
&end
#
# 99 ARG H 99 ARG HB3 4.22
&rst
ixpk= 0, nxpk= 0, iat=1487,1492, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 99 ARG HA 100 LYS H 3.45
&rst
ixpk= 0, nxpk= 0, iat=1489,1511, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 9 ASP H 11 TYR H 4.89
&rst
ixpk= 0, nxpk= 0, iat= 124, 143, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 9 ASP H 11 TYR QD 4.64
&rst
ixpk= 0, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 151, 160,
&end
#
# 9 ASP H 9 ASP HB2 2.89
&rst
ixpk= 0, nxpk= 0, iat= 124, 128, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 100 LYS QD 134 VAL QG1 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=1521,1522,
igr2=2116,2117,2118,
&end
#
# 101 ARG H 101 ARG QG 4.23
&rst
ixpk= 0, nxpk= 0, iat=1533, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2=1540,1541,
&end
#
# 103 LYS HG3 133 PHE H 5.80
&rst
ixpk= 0, nxpk= 0, iat=1577,2090, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 105 SER H 105 SER HB3 3.25
&rst
ixpk= 0, nxpk= 0, iat=1598,1603, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 106 TYR QE 132 VAL HA 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1,2076, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=1619,1624,
&end
#
# 107 PHE HB2 108 PHE H 5.25
&rst
ixpk= 0, nxpk= 0, iat=1634,1650, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 107 PHE HB3 129 GLN HG2 5.10
&rst
ixpk= 0, nxpk= 0, iat=1635,2034, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 110 LEU HA 110 LEU QD1 4.01
&rst
ixpk= 0, nxpk= 0, iat=1696, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1703,1704,1705,
&end
#
# 110 LEU QD1 116 LYS HA 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1789, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=1703,1704,1705,
&end
#
# 110 LEU QD1 117 TRP H 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1,1809, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1=1703,1704,1705,
&end
#
# 111 GLU HA 116 LYS HG2 4.89
&rst
ixpk= 0, nxpk= 0, iat=1715,1794, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 112 ARG H 116 LYS HA 4.55
&rst
ixpk= 0, nxpk= 0, iat=1728,1789, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 112 ARG HB2 112 ARG HE 5.31
&rst
ixpk= 0, nxpk= 0, iat=1732,1741, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 112 ARG HB3 112 ARG HE 5.31
&rst
ixpk= 0, nxpk= 0, iat=1733,1741, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 114 SER HA 114 SER HB3 3.31
&rst
ixpk= 0, nxpk= 0, iat=1761,1764, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 115 MET HA 116 LYS H 3.33
&rst
ixpk= 0, nxpk= 0, iat=1772,1787, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 115 MET QE 116 LYS H 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1787, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1=1781,1782,1783,
&end
#
# 116 LYS HA 116 LYS QD 4.62
&rst
ixpk= 0, nxpk= 0, iat=1789, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1797,1798,
&end
#
# 117 TRP HZ2 125 TYR QD 3.86
&rst
ixpk= 0, nxpk= 0, iat=1822, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2=1956,1965,
&end
#
# 119 TYR HA 120 LYS H 3.58
&rst
ixpk= 0, nxpk= 0, iat=1846,1865, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 119 TYR HB2 127 THR QG2 4.56
&rst
ixpk= 0, nxpk= 0, iat=1848, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1997,1998,1999,
&end
#
# 11 TYR QB 125 TYR QD 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 147, 148,
igr2=1956,1965,
&end
#
# 11 TYR QE 110 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= 153, 158,
igr2=1703,1704,1705,
&end
#
# 11 TYR QE 35 TYR HB2 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 153, 158,
&end
#
# 121 SER H 125 TYR QE 5.04
&rst
ixpk= 0, nxpk= 0, iat=1887, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1958,1963,
&end
#
# 121 SER HA 125 TYR QD 3.37
&rst
ixpk= 0, nxpk= 0, iat=1889, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=1956,1965,
&end
#
# 124 ASN HB2 125 TYR H 4.77
&rst
ixpk= 0, nxpk= 0, iat=1938,1948, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 125 TYR H 126 LYS QE 5.00
&rst
ixpk= 0, nxpk= 0, iat=1948, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1982,1983,
&end
#
# 128 LYS HB2 128 LYS QE 5.05
&rst
ixpk= 0, nxpk= 0, iat=2009, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2018,2019,
&end
#
# 129 GLN HA 129 GLN HG2 3.77
&rst
ixpk= 0, nxpk= 0, iat=2029,2034, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 129 GLN HA 129 GLN HG3 3.31
&rst
ixpk= 0, nxpk= 0, iat=2029,2035, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 12 LEU HB2 12 LEU QD1 3.55
&rst
ixpk= 0, nxpk= 0, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2= 173, 174, 175,
&end
#
# 130 LEU HA 131 SER H 3.14
&rst
ixpk= 0, nxpk= 0, iat=2046,2063, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 135 THR HA 135 THR HB 2.93
&rst
ixpk= 0, nxpk= 0, iat=2128,2130, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 137 LEU H 138 THR HB 5.63
&rst
ixpk= 0, nxpk= 0, iat=2150,2173, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 13 LEU H 14 GLN HG3 5.31
&rst
ixpk= 0, nxpk= 0, iat= 183, 210, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 13 LEU QD1 108 PHE HB2 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1,1654, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 192, 193, 194,
&end
#
# 13 LEU QD2 128 LYS H 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1,2005, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 196, 197, 198,
&end
#
# 14 GLN HA 15 VAL H 2.94
&rst
ixpk= 0, nxpk= 0, iat= 204, 219, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 15 VAL H 128 LYS HD3 4.58
&rst
ixpk= 0, nxpk= 0, iat= 219,2016, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 15 VAL QG2 130 LEU QD1 3.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 229, 230, 231,
igr2=2053,2054,2055,
&end
#
# 16 GLN H 16 GLN HB2 3.47
&rst
ixpk= 0, nxpk= 0, iat= 235, 239, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 16 GLN QG 130 LEU QD1 3.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 242, 243,
igr2=2053,2054,2055,
&end
#
# 17 GLU QG 18 LEU HB3 5.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 272, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1= 259, 260,
&end
#
# 18 LEU HA 131 SER HA 4.80
&rst
ixpk= 0, nxpk= 0, iat= 269,2065, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 18 LEU QD1 133 PHE HA 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1,2092, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 276, 277, 278,
&end
#
# 18 LEU QD1 20 THR QG2 3.19
&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= 308, 309, 310,
&end
#
# 19 VAL H 131 SER HA 5.18
&rst
ixpk= 0, nxpk= 0, iat= 286,2065, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 19 VAL H 132 VAL QG2 4.46
&rst
ixpk= 0, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=2084,2085,2086,
&end
#
# 19 VAL QG1 21 VAL H 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 292, 293, 294,
&end
#
# 20 THR H 21 VAL HA 5.68
&rst
ixpk= 0, nxpk= 0, iat= 302, 318, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 20 THR H 21 VAL HB 5.75
&rst
ixpk= 0, nxpk= 0, iat= 302, 320, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 21 VAL H 132 VAL QG1 4.04
&rst
ixpk= 0, nxpk= 0, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=2080,2081,2082,
&end
#
# 21 VAL H 21 VAL QG2 4.67
&rst
ixpk= 0, nxpk= 0, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 326, 327, 328,
&end
#
# 21 VAL HA 134 VAL HA 5.48
&rst
ixpk= 0, nxpk= 0, iat= 318,2112, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 21 VAL HA 21 VAL QG2 2.77
&rst
ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr2= 326, 327, 328,
&end
#
# 21 VAL HB 133 PHE H 5.80
&rst
ixpk= 0, nxpk= 0, iat= 320,2090, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 21 VAL QG2 26 SER HA 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 326, 327, 328,
&end
#
# 22 GLN HA 135 THR HA 4.79
&rst
ixpk= 0, nxpk= 0, iat= 334,2128, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 22 GLN HA 23 GLU HA 4.73
&rst
ixpk= 0, nxpk= 0, iat= 334, 351, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 22 GLN HE22 137 LEU H 5.03
&rst
ixpk= 0, nxpk= 0, iat= 344,2150, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 22 GLN HE22 137 LEU HB2 4.17
&rst
ixpk= 0, nxpk= 0, iat= 344,2154, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 23 GLU H 23 GLU HB2 3.28
&rst
ixpk= 0, nxpk= 0, iat= 349, 353, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 23 GLU HA 134 VAL QG2 4.39
&rst
ixpk= 0, nxpk= 0, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=2120,2121,2122,
&end
#
# 23 GLU HG3 134 VAL QG2 5.03
&rst
ixpk= 0, nxpk= 0, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=2120,2121,2122,
&end
#
# 24 GLY H 97 ASP HA 4.41
&rst
ixpk= 0, nxpk= 0, iat= 364,1467, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 24 GLY HA2 98 ALA QB 5.35
&rst
ixpk= 0, nxpk= 0, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2=1481,1482,1483,
&end
#
# 25 LEU HG 26 SER HA 5.10
&rst
ixpk= 0, nxpk= 0, iat= 378, 392, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 26 SER HA 27 VAL QG1 3.83
&rst
ixpk= 0, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 407, 408, 409,
&end
#
# 26 SER HA 96 ARG HG3 5.71
&rst
ixpk= 0, nxpk= 0, iat= 392,1449, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end
#
# 26 SER HB2 96 ARG HG3 4.43
&rst
ixpk= 0, nxpk= 0, iat= 394,1449, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 27 VAL HA 28 HIS H 3.17
&rst
ixpk= 0, nxpk= 0, iat= 403, 417, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 28 HIS HD2 29 VAL QG1 5.01
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 440, 441, 442,
&end
#
# 28 HIS HD2 30 PRO HB2 5.36
&rst
ixpk= 0, nxpk= 0, iat= 430, 457, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 28 HIS HE1 30 PRO HA 5.49
&rst
ixpk= 0, nxpk= 0, iat= 426, 460, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 29 VAL HB 95 ILE QD1 5.17
&rst
ixpk= 0, nxpk= 0, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2=1435,1436,1437,
&end
#
# 30 PRO HA 92 SER HB2 4.79
&rst
ixpk= 0, nxpk= 0, iat= 460,1385, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 32 SER HA 33 PHE H 3.23
&rst
ixpk= 0, nxpk= 0, iat= 476, 485, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 32 SER HA 33 PHE QD 4.40
&rst
ixpk= 0, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 493, 501,
&end
#
# 33 PHE HZ 108 PHE HZ 5.48
&rst
ixpk= 0, nxpk= 0, iat= 497,1662, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 33 PHE QD 90 ASP HA 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 493, 501,
&end
#
# 33 PHE QE 90 ASP HA 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 495, 499,
&end
#
# 34 SER H 119 TYR QE 4.64
&rst
ixpk= 0, nxpk= 0, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1854,1859,
&end
#
# 34 SER HA 35 TYR H 3.70
&rst
ixpk= 0, nxpk= 0, iat= 507, 516, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 34 SER HA 35 TYR QE 4.62
&rst
ixpk= 0, nxpk= 0, iat= 507, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 526, 531,
&end
#
# 35 TYR QE 40 TRP HZ2 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 526, 531,
&end
#
# 37 GLN HA 38 ASP H 3.15
&rst
ixpk= 0, nxpk= 0, iat= 553, 568, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 39 GLY HA3 40 TRP HD1 4.20
&rst
ixpk= 0, nxpk= 0, iat= 583, 595, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 40 TRP HA 113 GLY HA2 5.52
&rst
ixpk= 0, nxpk= 0, iat= 589,1754, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 40 TRP QB 113 GLY HA2 5.53
&rst
ixpk= 0, nxpk= 0, iat= -1,1754, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 591, 592,
&end
#
# 41 THR HA 42 ASP H 3.45
&rst
ixpk= 0, nxpk= 0, iat= 613, 625, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 44 ASP HA 113 GLY H 5.14
&rst
ixpk= 0, nxpk= 0, iat= 650,1752, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 44 ASP HB2 113 GLY H 4.64
&rst
ixpk= 0, nxpk= 0, iat= 652,1752, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 45 PRO HG3 87 TRP HH2 4.32
&rst
ixpk= 0, nxpk= 0, iat= 665,1325, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 46 VAL HA 112 ARG HE 5.32
&rst
ixpk= 0, nxpk= 0, iat= 676,1741, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 47 HIS HB3 48 GLY H 4.25
&rst
ixpk= 0, nxpk= 0, iat= 695, 707, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 48 GLY HA2 49 TYR QE 4.92
&rst
ixpk= 0, nxpk= 0, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 724, 729,
&end
#
# 49 TYR HA 49 TYR QD 3.86
&rst
ixpk= 0, nxpk= 0, iat= 716, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2= 722, 731,
&end
#
# 49 TYR QD 65 THR QG2 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 722, 731,
igr2= 976, 977, 978,
&end
#
# 50 TRP H 65 THR HB 4.25
&rst
ixpk= 0, nxpk= 0, iat= 735, 974, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 50 TRP HA 108 PHE HA 4.37
&rst
ixpk= 0, nxpk= 0, iat= 737,1652, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 50 TRP HD1 93 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 743,1397, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 TRP HZ2 93 LEU QD2 4.32
&rst
ixpk= 0, nxpk= 0, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1405,1406,1407,
&end
#
# 50 TRP HZ3 106 TYR HA 4.91
&rst
ixpk= 0, nxpk= 0, iat= 752,1611, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 50 TRP HZ3 130 LEU QD1 5.55
&rst
ixpk= 0, nxpk= 0, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr2=2053,2054,2055,
&end
#
# 51 PHE H 106 TYR QD 4.92
&rst
ixpk= 0, nxpk= 0, iat= 759, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1617,1626,
&end
#
# 51 PHE HB2 106 TYR QD 5.76
&rst
ixpk= 0, nxpk= 0, iat= 763, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2=1617,1626,
&end
#
# 53 ALA QB 55 ASP H 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 807, 808, 809,
&end
#
# 56 ARG HA 57 PRO HG2 5.25
&rst
ixpk= 0, nxpk= 0, iat= 834, 860, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 57 PRO HG3 107 PHE QE 4.06
&rst
ixpk= 0, nxpk= 0, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1640,1644,
&end
#
# 58 TYR HA 58 TYR HB2 3.31
&rst
ixpk= 0, nxpk= 0, iat= 872, 874, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 64 ALA QB 80 PHE QE 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
igr1= 964, 965, 966,
igr2=1207,1211,
&end
#
# 64 ALA QB 82 LEU QD1 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 964, 965, 966,
igr2=1243,1244,1245,
&end
#
# 65 THR H 82 LEU HB2 4.91
&rst
ixpk= 0, nxpk= 0, iat= 970,1238, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 65 THR H 93 LEU QD1 5.62
&rst
ixpk= 0, nxpk= 0, iat= 970, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr2=1401,1402,1403,
&end
#
# 67 ASN HA 68 PRO HA 4.96
&rst
ixpk= 0, nxpk= 0, iat=1000,1022, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 69 ASP HA 69 ASP HB2 3.14
&rst
ixpk= 0, nxpk= 0, iat=1028,1030, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 69 ASP HB3 70 ARG H 3.75
&rst
ixpk= 0, nxpk= 0, iat=1031,1038, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 6 GLN H 9 ASP H 5.10
&rst
ixpk= 0, nxpk= 0, iat= 79, 124, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 6 GLN HA 124 ASN HD22 5.15
&rst
ixpk= 0, nxpk= 0, iat= 81,1943, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 6 GLN HB3 9 ASP H 4.44
&rst
ixpk= 0, nxpk= 0, iat= 84, 124, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 70 ARG HD2 71 GLU QB 5.34
&rst
ixpk= 0, nxpk= 0, iat=1048, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1066,1067,
&end
#
# 71 GLU H 71 GLU QB 3.04
&rst
ixpk= 0, nxpk= 0, iat=1062, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr2=1066,1067,
&end
#
# 71 GLU QB 71 GLU HG2 2.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1069, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr1=1066,1067,
&end
#
# 72 VAL QG2 74 ALA H 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1110, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1087,1088,1089,
&end
#
# 73 GLN HA 74 ALA H 3.14
&rst
ixpk= 0, nxpk= 0, iat=1095,1110, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 73 GLN HB3 75 GLU H 3.94
&rst
ixpk= 0, nxpk= 0, iat=1098,1120, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 74 ALA H 74 ALA QB 3.04
&rst
ixpk= 0, nxpk= 0, iat=1110, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2=1114,1115,1116,
&end
#
# 75 GLU QB 76 THR H 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1124,1125,
&end
#
# 75 GLU QG 79 ARG HE 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=1127,1128,
&end
#
# 76 THR HB 93 LEU QD1 5.70
&rst
ixpk= 0, nxpk= 0, iat=1139, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr2=1401,1402,1403,
&end
#
# 7 TYR QE 122 GLN HB3 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1903, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 106, 111,
&end
#
# 80 PHE HZ 106 TYR QE 4.66
&rst
ixpk= 0, nxpk= 0, iat=1209, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2=1619,1624,
&end
#
# 80 PHE HZ 95 ILE QD1 4.29
&rst
ixpk= 0, nxpk= 0, iat=1209, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1435,1436,1437,
&end
#
# 80 PHE QE 95 ILE QD1 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1207,1211,
igr2=1435,1436,1437,
&end
#
# 81 GLN H 93 LEU HG 5.75
&rst
ixpk= 0, nxpk= 0, iat=1217,1399, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 81 GLN HB2 82 LEU H 5.30
&rst
ixpk= 0, nxpk= 0, iat=1221,1234, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 81 GLN HG3 94 SER H 5.33
&rst
ixpk= 0, nxpk= 0, iat=1225,1411, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 85 ASP HA 87 TRP H 5.11
&rst
ixpk= 0, nxpk= 0, iat=1281,1310, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 85 ASP HB3 87 TRP H 4.97
&rst
ixpk= 0, nxpk= 0, iat=1284,1310, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 87 TRP H 87 TRP HD1 3.52
&rst
ixpk= 0, nxpk= 0, iat=1310,1318, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 87 TRP H 88 SER H 3.36
&rst
ixpk= 0, nxpk= 0, iat=1310,1334, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 87 TRP HB2 87 TRP HE1 5.15
&rst
ixpk= 0, nxpk= 0, iat=1314,1320, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 88 SER HA 88 SER HB2 3.22
&rst
ixpk= 0, nxpk= 0, iat=1336,1338, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 93 LEU HA 93 LEU QD1 3.26
&rst
ixpk= 0, nxpk= 0, iat=1394, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1401,1402,1403,
&end
#
# 93 LEU QD1 95 ILE HA 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1424, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1401,1402,1403,
&end
#
# 94 SER HA 95 ILE HB 4.74
&rst
ixpk= 0, nxpk= 0, iat=1413,1426, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 95 ILE QD1 130 LEU QD2 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1435,1436,1437,
igr2=2057,2058,2059,
&end
#
# 95 ILE QG2 134 VAL QG2 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1=1428,1429,1430,
igr2=2120,2121,2122,
&end
#
# 96 ARG HA 97 ASP HA 4.86
&rst
ixpk= 0, nxpk= 0, iat=1443,1467, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 98 ALA QB 134 VAL HA 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1,2112, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1481,1482,1483,
&end
#
# 9 ASP H 125 TYR QD 5.23
&rst
ixpk= 0, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=1956,1965,
&end
#
# 101 ARG H 103 LYS H 4.96
&rst
ixpk= 0, nxpk= 0, iat=1533,1569, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 103 LYS HA 103 LYS HB2 3.07
&rst
ixpk= 0, nxpk= 0, iat=1571,1573, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 103 LYS HG3 133 PHE QD 4.53
&rst
ixpk= 0, nxpk= 0, iat=1577, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=2098,2106,
&end
#
# 106 TYR H 130 LEU HA 5.12
&rst
ixpk= 0, nxpk= 0, iat=1609,2046, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 106 TYR HB3 107 PHE H 3.81
&rst
ixpk= 0, nxpk= 0, iat=1614,1630, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 106 TYR HB3 130 LEU QD2 4.66
&rst
ixpk= 0, nxpk= 0, iat=1614, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=2057,2058,2059,
&end
#
# 106 TYR HH 132 VAL QG2 4.72
&rst
ixpk= 0, nxpk= 0, iat=1622, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2084,2085,2086,
&end
#
# 107 PHE H 107 PHE QD 3.63
&rst
ixpk= 0, nxpk= 0, iat=1630, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1638,1646,
&end
#
# 107 PHE QD 129 GLN HG2 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,2034, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1638,1646,
&end
#
# 110 LEU HG 115 MET QE 4.91
&rst
ixpk= 0, nxpk= 0, iat=1701, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=1781,1782,1783,
&end
#
# 111 GLU HA 116 LYS HG3 4.89
&rst
ixpk= 0, nxpk= 0, iat=1715,1795, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 112 ARG H 113 GLY H 5.17
&rst
ixpk= 0, nxpk= 0, iat=1728,1752, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 112 ARG H 116 LYS QD 6.30
&rst
ixpk= 0, nxpk= 0, iat=1728, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr2=1797,1798,
&end
#
# 114 SER H 115 MET HB3 4.85
&rst
ixpk= 0, nxpk= 0, iat=1759,1775, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 114 SER H 115 MET HB2 4.89
&rst
ixpk= 0, nxpk= 0, iat=1759,1774, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 114 SER HA 116 LYS QE 3.70
&rst
ixpk= 0, nxpk= 0, iat=1761, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=1800,1801,
&end
#
# 115 MET H 116 LYS HA 6.00
&rst
ixpk= 0, nxpk= 0, iat=1770,1789, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 115 MET HG2 116 LYS H 5.28
&rst
ixpk= 0, nxpk= 0, iat=1777,1787, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 119 TYR HB2 120 LYS H 5.27
&rst
ixpk= 0, nxpk= 0, iat=1848,1865, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 119 TYR HB3 120 LYS H 4.74
&rst
ixpk= 0, nxpk= 0, iat=1849,1865, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 11 TYR QD 110 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= 151, 160,
igr2=1707,1708,1709,
&end
#
# 11 TYR QD 12 LEU H 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 151, 160,
&end
#
# 11 TYR QE 110 LEU QD2 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 153, 158,
igr2=1707,1708,1709,
&end
#
# 11 TYR QE 115 MET HG2 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1777, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 153, 158,
&end
#
# 121 SER H 121 SER HB3 3.70
&rst
ixpk= 0, nxpk= 0, iat=1887,1892, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 122 GLN H 125 TYR H 4.44
&rst
ixpk= 0, nxpk= 0, iat=1898,1948, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 122 GLN HA 122 GLN HB3 3.26
&rst
ixpk= 0, nxpk= 0, iat=1900,1903, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &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
#
# 123 LEU HB2 124 ASN HB2 5.33
&rst
ixpk= 0, nxpk= 0, iat=1919,1938, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &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 QD1 124 ASN H 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1934, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=1924,1925,1926,
&end
#
# 125 TYR HA 126 LYS HA 4.93
&rst
ixpk= 0, nxpk= 0, iat=1950,1971, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 126 LYS HA 127 THR HB 5.80
&rst
ixpk= 0, nxpk= 0, iat=1971,1995, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 126 LYS QD 127 THR H 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1991, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1979,1980,
&end
#
# 127 THR HB 128 LYS H 4.27
&rst
ixpk= 0, nxpk= 0, iat=1995,2005, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 127 THR QG2 129 GLN HG2 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1,2034, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1997,1998,1999,
&end
#
# 128 LYS HA 129 GLN HG3 5.05
&rst
ixpk= 0, nxpk= 0, iat=2007,2035, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 128 LYS HD3 128 LYS QE 3.26
&rst
ixpk= 0, nxpk= 0, iat=2016, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2=2018,2019,
&end
#
# 12 LEU H 119 TYR QE 4.26
&rst
ixpk= 0, nxpk= 0, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1854,1859,
&end
#
# 12 LEU H 36 PRO HD3 5.80
&rst
ixpk= 0, nxpk= 0, iat= 164, 539, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 12 LEU HA 12 LEU HG 4.57
&rst
ixpk= 0, nxpk= 0, iat= 166, 171, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 130 LEU HA 130 LEU HG 4.43
&rst
ixpk= 0, nxpk= 0, iat=2046,2051, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 131 SER HB3 133 PHE QD 4.11
&rst
ixpk= 0, nxpk= 0, iat=2068, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=2098,2106,
&end
#
# 133 PHE HA 133 PHE QD 3.49
&rst
ixpk= 0, nxpk= 0, iat=2092, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=2098,2106,
&end
#
# 133 PHE HA 133 PHE QE 4.76
&rst
ixpk= 0, nxpk= 0, iat=2092, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=2100,2104,
&end
#
# 135 THR HA 136 ALA QB 4.44
&rst
ixpk= 0, nxpk= 0, iat=2128, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=2144,2145,2146,
&end
#
# 135 THR QG2 137 LEU H 5.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2150, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2132,2133,2134,
&end
#
# 137 LEU H 138 THR QG2 5.80
&rst
ixpk= 0, nxpk= 0, iat=2150, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=2175,2176,2177,
&end
#
# 137 LEU HG 138 THR H 4.43
&rst
ixpk= 0, nxpk= 0, iat=2157,2169, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 13 LEU QD1 108 PHE H 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1650, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 192, 193, 194,
&end
#
# 13 LEU QD1 119 TYR QE 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 192, 193, 194,
igr2=1854,1859,
&end
#
# 13 LEU QD2 128 LYS HB3 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1,2010, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 196, 197, 198,
&end
#
# 13 LEU QD2 31 CYX HA 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 196, 197, 198,
&end
#
# 142 LEU HA 142 LEU QD2 3.52
&rst
ixpk= 0, nxpk= 0, iat=2220, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=2231,2232,2233,
&end
#
# 143 VAL QG1 144 PRO HD3 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1,2255, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=2243,2244,2245,
&end
#
# 144 PRO HB2 145 ARG H 4.18
&rst
ixpk= 0, nxpk= 0, iat=2260,2267, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 14 GLN QB 14 GLN HG2 2.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 209, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,
igr1= 206, 207,
&end
#
# 15 VAL QG1 128 LYS H 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1,2005, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 225, 226, 227,
&end
#
# 15 VAL QG1 128 LYS HA 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1,2007, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 225, 226, 227,
&end
#
# 15 VAL QG2 29 VAL QG1 2.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 229, 230, 231,
igr2= 440, 441, 442,
&end
#
# 16 GLN HE21 130 LEU QD1 5.46
&rst
ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2=2053,2054,2055,
&end
#
# 17 GLU HA 131 SER H 4.30
&rst
ixpk= 0, nxpk= 0, iat= 254,2063, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 17 GLU HB3 131 SER H 5.64
&rst
ixpk= 0, nxpk= 0, iat= 257,2063, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 17 GLU QG 128 LYS HG2 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1,2012, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 259, 260,
&end
#
# 18 LEU HB2 131 SER H 5.33
&rst
ixpk= 0, nxpk= 0, iat= 271,2063, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 18 LEU HB2 131 SER HB2 5.02
&rst
ixpk= 0, nxpk= 0, iat= 271,2067, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 18 LEU HB2 18 LEU QD1 3.11
&rst
ixpk= 0, nxpk= 0, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 276, 277, 278,
&end
#
# 18 LEU HB2 18 LEU QD2 3.31
&rst
ixpk= 0, nxpk= 0, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 280, 281, 282,
&end
#
# 19 VAL H 19 VAL QG1 3.86
&rst
ixpk= 0, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 292, 293, 294,
&end
#
# 19 VAL HB 132 VAL H 5.21
&rst
ixpk= 0, nxpk= 0, iat= 290,2074, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 19 VAL HB 132 VAL QG1 4.27
&rst
ixpk= 0, nxpk= 0, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=2080,2081,2082,
&end
#
# 21 VAL QG1 134 VAL H 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1,2110, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 322, 323, 324,
&end
#
# 22 GLN H 27 VAL HB 5.23
&rst
ixpk= 0, nxpk= 0, iat= 332, 405, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 22 GLN HE21 137 LEU HB2 4.37
&rst
ixpk= 0, nxpk= 0, iat= 345,2154, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 22 GLN HG2 137 LEU QD2 3.66
&rst
ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=2163,2164,2165,
&end
#
# 22 GLN QB 135 THR H 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1,2126, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 336, 337,
&end
#
# 23 GLU HB2 134 VAL QG1 3.11
&rst
ixpk= 0, nxpk= 0, iat= 353, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2=2116,2117,2118,
&end
#
# 23 GLU HB2 135 THR H 5.20
&rst
ixpk= 0, nxpk= 0, iat= 353,2126, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 23 GLU HG3 99 ARG HA 4.63
&rst
ixpk= 0, nxpk= 0, iat= 357,1489, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 24 GLY HA2 97 ASP HB3 5.66
&rst
ixpk= 0, nxpk= 0, iat= 366,1470, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 24 GLY HA3 25 LEU H 3.63
&rst
ixpk= 0, nxpk= 0, iat= 367, 371, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 24 GLY HA3 25 LEU QD2 5.03
&rst
ixpk= 0, nxpk= 0, iat= 367, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 384, 385, 386,
&end
#
# 25 LEU HA 25 LEU QD2 3.80
&rst
ixpk= 0, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 384, 385, 386,
&end
#
# 26 SER HB2 96 ARG QD 5.47
&rst
ixpk= 0, nxpk= 0, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2=1451,1452,
&end
#
# 26 SER HB3 27 VAL QG1 5.34
&rst
ixpk= 0, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr2= 407, 408, 409,
&end
#
# 27 VAL H 94 SER QB 5.32
&rst
ixpk= 0, nxpk= 0, iat= 401, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=1415,1416,
&end
#
# 27 VAL H 96 ARG HA 4.08
&rst
ixpk= 0, nxpk= 0, iat= 401,1443, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 27 VAL HA 95 ILE H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 403,1422, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 VAL QG2 95 ILE HB 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1426, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 411, 412, 413,
&end
#
# 28 HIS HE1 29 VAL H 5.77
&rst
ixpk= 0, nxpk= 0, iat= 426, 434, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end
#
# 28 HIS QB 28 HIS HD2 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 430, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 421, 422,
&end
#
# 28 HIS QB 83 LEU QD1 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 421, 422,
igr2=1262,1263,1264,
&end
#
# 31 CYX HB3 50 TRP HZ2 4.34
&rst
ixpk= 0, nxpk= 0, iat= 469, 748, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 33 PHE QE 90 ASP H 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1359, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 495, 499,
&end
#
# 36 PRO HB3 37 GLN H 4.17
&rst
ixpk= 0, nxpk= 0, iat= 545, 551, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 37 GLN H 38 ASP H 3.68
&rst
ixpk= 0, nxpk= 0, iat= 551, 568, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 37 GLN HB3 37 GLN HG2 2.99
&rst
ixpk= 0, nxpk= 0, iat= 556, 558, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 39 GLY HA2 115 MET QE 5.80
&rst
ixpk= 0, nxpk= 0, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=1781,1782,1783,
&end
#
# 40 TRP HA 40 TRP HD1 4.76
&rst
ixpk= 0, nxpk= 0, iat= 589, 595, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 40 TRP HA 41 THR H 3.42
&rst
ixpk= 0, nxpk= 0, iat= 589, 611, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 40 TRP HD1 112 ARG HE 5.80
&rst
ixpk= 0, nxpk= 0, iat= 595,1741, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 40 TRP HZ3 43 SER H 5.80
&rst
ixpk= 0, nxpk= 0, iat= 604, 637, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 41 THR H 44 ASP HB2 4.43
&rst
ixpk= 0, nxpk= 0, iat= 611, 652, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 41 THR QG2 42 ASP HB3 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 630, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1= 617, 618, 619,
&end
#
# 41 THR QG2 43 SER HB3 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 642, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 617, 618, 619,
&end
#
# 42 ASP H 42 ASP HB2 3.75
&rst
ixpk= 0, nxpk= 0, iat= 625, 629, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 42 ASP H 42 ASP HB3 3.74
&rst
ixpk= 0, nxpk= 0, iat= 625, 630, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 42 ASP HA 44 ASP H 4.26
&rst
ixpk= 0, nxpk= 0, iat= 627, 648, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 43 SER H 43 SER HB3 3.74
&rst
ixpk= 0, nxpk= 0, iat= 637, 642, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 43 SER H 87 TRP HZ3 5.80
&rst
ixpk= 0, nxpk= 0, iat= 637,1327, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 43 SER HB2 44 ASP H 4.42
&rst
ixpk= 0, nxpk= 0, iat= 641, 648, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 44 ASP HB3 113 GLY H 4.64
&rst
ixpk= 0, nxpk= 0, iat= 653,1752, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 47 HIS HA 47 HIS HD2 3.66
&rst
ixpk= 0, nxpk= 0, iat= 692, 703, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 47 HIS HB3 111 GLU H 5.36
&rst
ixpk= 0, nxpk= 0, iat= 695,1713, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 47 HIS HE1 67 ASN HA 5.14
&rst
ixpk= 0, nxpk= 0, iat= 699,1000, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 47 HIS HE1 67 ASN HD21 4.85
&rst
ixpk= 0, nxpk= 0, iat= 699,1008, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 48 GLY H 110 LEU QD1 5.80
&rst
ixpk= 0, nxpk= 0, iat= 707, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=1703,1704,1705,
&end
#
# 49 TYR H 49 TYR QD 3.86
&rst
ixpk= 0, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2= 722, 731,
&end
#
# 49 TYR QD 109 ARG H 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1,1670, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 722, 731,
&end
#
# 50 TRP HE1 82 LEU HA 5.80
&rst
ixpk= 0, nxpk= 0, iat= 745,1236, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 50 TRP HE1 93 LEU HB3 4.51
&rst
ixpk= 0, nxpk= 0, iat= 745,1397, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 50 TRP HE3 130 LEU QD2 4.35
&rst
ixpk= 0, nxpk= 0, iat= 754, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=2057,2058,2059,
&end
#
# 50 TRP HE3 51 PHE H 4.01
&rst
ixpk= 0, nxpk= 0, iat= 754, 759, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 51 PHE H 106 TYR HB3 4.60
&rst
ixpk= 0, nxpk= 0, iat= 759,1614, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 51 PHE HB3 52 ARG H 4.15
&rst
ixpk= 0, nxpk= 0, iat= 764, 779, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 51 PHE HZ 62 PRO HA 4.70
&rst
ixpk= 0, nxpk= 0, iat= 771, 940, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 52 ARG H 63 VAL QG2 4.48
&rst
ixpk= 0, nxpk= 0, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 954, 955, 956,
&end
#
# 52 ARG HA 53 ALA QB 4.33
&rst
ixpk= 0, nxpk= 0, iat= 781, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 807, 808, 809,
&end
#
# 52 ARG HG2 106 TYR QD 4.49
&rst
ixpk= 0, nxpk= 0, iat= 786, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1617,1626,
&end
#
# 52 ARG HG2 106 TYR QE 3.79
&rst
ixpk= 0, nxpk= 0, iat= 786, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=1619,1624,
&end
#
# 52 ARG QD 76 THR QG2 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 789, 790,
igr2=1141,1142,1143,
&end
#
# 53 ALA H 106 TYR QD 4.66
&rst
ixpk= 0, nxpk= 0, iat= 803, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2=1617,1626,
&end
#
# 53 ALA HA 55 ASP H 4.86
&rst
ixpk= 0, nxpk= 0, iat= 805, 820, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 53 ALA QB 129 GLN HB3 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,2032, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 807, 808, 809,
&end
#
# 55 ASP H 107 PHE QE 4.19
&rst
ixpk= 0, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1640,1644,
&end
#
# 56 ARG HA 57 PRO HD3 3.96
&rst
ixpk= 0, nxpk= 0, iat= 834, 858, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 57 PRO HB2 58 TYR QD 4.87
&rst
ixpk= 0, nxpk= 0, iat= 863, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 878, 887,
&end
#
# 58 TYR H 58 TYR QE 4.14
&rst
ixpk= 0, nxpk= 0, iat= 870, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 880, 885,
&end
#
# 5 ARG HA 6 GLN H 3.03
&rst
ixpk= 0, nxpk= 0, iat= 57, 79, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 5 ARG HB2 5 ARG QD 2.98
&rst
ixpk= 0, nxpk= 0, iat= 59, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2= 65, 66,
&end
#
# 5 ARG HG2 6 GLN H 5.03
&rst
ixpk= 0, nxpk= 0, iat= 62, 79, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 60 ASP HB2 61 ALA H 3.96
&rst
ixpk= 0, nxpk= 0, iat= 912, 920, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 60 ASP HB3 73 GLN HE22 5.08
&rst
ixpk= 0, nxpk= 0, iat= 913,1105, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 61 ALA H 62 PRO HD3 5.42
&rst
ixpk= 0, nxpk= 0, iat= 920, 932, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 61 ALA QB 73 GLN HB3 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1098, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 924, 925, 926,
&end
#
# 62 PRO HD3 72 VAL HA 5.27
&rst
ixpk= 0, nxpk= 0, iat= 932,1079, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 63 VAL H 63 VAL HB 4.27
&rst
ixpk= 0, nxpk= 0, iat= 944, 948, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 63 VAL QG1 64 ALA H 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 960, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 950, 951, 952,
&end
#
# 63 VAL QG1 93 LEU QD2 5.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.98, r4= 8.48,
igr1= 950, 951, 952,
igr2=1405,1406,1407,
&end
#
# 63 VAL QG2 106 TYR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1611, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 954, 955, 956,
&end
#
# 64 ALA QB 65 THR HA 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 972, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 964, 965, 966,
&end
#
# 65 THR H 65 THR QG2 3.23
&rst
ixpk= 0, nxpk= 0, iat= 970, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 976, 977, 978,
&end
#
# 65 THR HA 67 ASN H 4.52
&rst
ixpk= 0, nxpk= 0, iat= 972, 998, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 65 THR HB 67 ASN H 4.51
&rst
ixpk= 0, nxpk= 0, iat= 974, 998, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 65 THR QG2 67 ASN HA 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1000, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 976, 977, 978,
&end
#
# 66 ASN H 67 ASN H 4.23
&rst
ixpk= 0, nxpk= 0, iat= 984, 998, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 67 ASN H 72 VAL QG1 6.30
&rst
ixpk= 0, nxpk= 0, iat= 998, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr2=1083,1084,1085,
&end
#
# 67 ASN HA 67 ASN HD22 5.16
&rst
ixpk= 0, nxpk= 0, iat=1000,1007, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 67 ASN HA 69 ASP H 3.93
&rst
ixpk= 0, nxpk= 0, iat=1000,1026, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 68 PRO HA 69 ASP HA 5.23
&rst
ixpk= 0, nxpk= 0, iat=1022,1028, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 68 PRO HG2 69 ASP HA 5.43
&rst
ixpk= 0, nxpk= 0, iat=1016,1028, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &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 6 GLN HB2 3.41
&rst
ixpk= 0, nxpk= 0, iat= 79, 83, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 6 GLN H 6 GLN HB3 3.26
&rst
ixpk= 0, nxpk= 0, iat= 79, 84, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 6 GLN HA 6 GLN HG2 3.17
&rst
ixpk= 0, nxpk= 0, iat= 81, 86, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 70 ARG H 70 ARG HB2 3.40
&rst
ixpk= 0, nxpk= 0, iat=1038,1042, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 71 GLU HA 71 GLU QB 2.84
&rst
ixpk= 0, nxpk= 0, iat=1064, -1, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,
igr2=1066,1067,
&end
#
# 71 GLU HG2 72 VAL HA 4.45
&rst
ixpk= 0, nxpk= 0, iat=1069,1079, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 71 GLU HG3 72 VAL H 3.66
&rst
ixpk= 0, nxpk= 0, iat=1070,1077, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 72 VAL H 77 GLN HE22 5.80
&rst
ixpk= 0, nxpk= 0, iat=1077,1161, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 72 VAL QG2 78 GLY HA2 5.53
&rst
ixpk= 0, nxpk= 0, iat= -1,1168, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr1=1087,1088,1089,
&end
#
# 73 GLN HB2 73 GLN HG2 3.06
&rst
ixpk= 0, nxpk= 0, iat=1097,1100, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 74 ALA QB 75 GLU QB 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1=1114,1115,1116,
igr2=1124,1125,
&end
#
# 75 GLU H 75 GLU QB 3.28
&rst
ixpk= 0, nxpk= 0, iat=1120, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2=1124,1125,
&end
#
# 75 GLU QG 76 THR QG2 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1127,1128,
igr2=1141,1142,1143,
&end
#
# 76 THR HB 79 ARG H 4.64
&rst
ixpk= 0, nxpk= 0, iat=1139,1173, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 76 THR HB 80 PHE HA 5.04
&rst
ixpk= 0, nxpk= 0, iat=1139,1199, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 76 THR QG2 106 TYR QE 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1141,1142,1143,
igr2=1619,1624,
&end
#
# 76 THR QG2 80 PHE HB2 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1201, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=1141,1142,1143,
&end
#
# 77 GLN HA 77 GLN HE22 4.33
&rst
ixpk= 0, nxpk= 0, iat=1151,1161, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 77 GLN QB 78 GLY HA2 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1168, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=1153,1154,
&end
#
# 77 GLN QB 78 GLY HA3 5.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1169, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1=1153,1154,
&end
#
# 79 ARG H 79 ARG HD2 5.33
&rst
ixpk= 0, nxpk= 0, iat=1173,1183, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 79 ARG H 96 ARG QD 5.20
&rst
ixpk= 0, nxpk= 0, iat=1173, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1451,1452,
&end
#
# 79 ARG HA 79 ARG HD3 5.43
&rst
ixpk= 0, nxpk= 0, iat=1175,1184, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 79 ARG HE 97 ASP HB3 4.99
&rst
ixpk= 0, nxpk= 0, iat=1186,1470, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 79 ARG HH12 80 PHE QE 4.26
&rst
ixpk= 0, nxpk= 0, iat=1190, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1207,1211,
&end
#
# 7 TYR H 8 GLY H 4.75
&rst
ixpk= 0, nxpk= 0, iat= 96, 117, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 7 TYR HA 8 GLY HA2 5.03
&rst
ixpk= 0, nxpk= 0, iat= 98, 119, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 7 TYR HB2 8 GLY H 4.72
&rst
ixpk= 0, nxpk= 0, iat= 100, 117, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 7 TYR HB3 8 GLY H 4.91
&rst
ixpk= 0, nxpk= 0, iat= 101, 117, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 7 TYR QD 123 LEU QD1 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 104, 113,
igr2=1924,1925,1926,
&end
#
# 7 TYR QD 124 ASN HD22 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1943, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 104, 113,
&end
#
# 7 TYR QD 125 TYR HB3 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1953, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 104, 113,
&end
#
# 7 TYR QE 125 TYR QE 5.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 106, 111,
igr2=1958,1963,
&end
#
# 80 PHE HA 80 PHE QD 3.81
&rst
ixpk= 0, nxpk= 0, iat=1199, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=1205,1213,
&end
#
# 80 PHE HA 96 ARG H 3.96
&rst
ixpk= 0, nxpk= 0, iat=1199,1441, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 80 PHE HZ 102 ASP HB3 4.09
&rst
ixpk= 0, nxpk= 0, iat=1209,1562, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 80 PHE HZ 93 LEU QD2 5.59
&rst
ixpk= 0, nxpk= 0, iat=1209, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr2=1405,1406,1407,
&end
#
# 80 PHE QD 80 PHE HZ 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1,1209, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=1205,1213,
&end
#
# 80 PHE QE 99 ARG H 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1487, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=1207,1211,
&end
#
# 81 GLN H 95 ILE QD1 5.80
&rst
ixpk= 0, nxpk= 0, iat=1217, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=1435,1436,1437,
&end
#
# 81 GLN HB3 81 GLN HE22 4.96
&rst
ixpk= 0, nxpk= 0, iat=1222,1229, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 81 GLN HE22 83 LEU QD2 3.96
&rst
ixpk= 0, nxpk= 0, iat=1229, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1266,1267,1268,
&end
#
# 81 GLN HE21 83 LEU QD1 4.62
&rst
ixpk= 0, nxpk= 0, iat=1230, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2=1262,1263,1264,
&end
#
# 81 GLN HG3 82 LEU H 4.93
&rst
ixpk= 0, nxpk= 0, iat=1225,1234, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 82 LEU HA 83 LEU QD1 5.28
&rst
ixpk= 0, nxpk= 0, iat=1236, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2=1262,1263,1264,
&end
#
# 82 LEU HB3 93 LEU QD1 5.80
&rst
ixpk= 0, nxpk= 0, iat=1239, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=1401,1402,1403,
&end
#
# 83 LEU HA 94 SER QB 6.30
&rst
ixpk= 0, nxpk= 0, iat=1255, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr2=1415,1416,
&end
#
# 84 GLY HA3 85 ASP H 3.77
&rst
ixpk= 0, nxpk= 0, iat=1275,1279, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 85 ASP H 85 ASP HB2 3.89
&rst
ixpk= 0, nxpk= 0, iat=1279,1283, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 86 ILE QD1 87 TRP HE1 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=1304,1305,1306,
&end
#
# 87 TRP H 87 TRP HB2 3.67
&rst
ixpk= 0, nxpk= 0, iat=1310,1314, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 88 SER H 88 SER HB3 3.84
&rst
ixpk= 0, nxpk= 0, iat=1334,1339, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 88 SER HB3 90 ASP H 4.25
&rst
ixpk= 0, nxpk= 0, iat=1339,1359, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 8 GLY H 11 TYR QD 5.25
&rst
ixpk= 0, nxpk= 0, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2= 151, 160,
&end
#
# 8 GLY HA3 125 TYR QD 3.50
&rst
ixpk= 0, nxpk= 0, iat= 120, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1956,1965,
&end
#
# 8 GLY HA2 125 TYR QE 4.65
&rst
ixpk= 0, nxpk= 0, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1958,1963,
&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
#
# 95 ILE QD1 133 PHE H 5.68
&rst
ixpk= 0, nxpk= 0, iat= -1,2090, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1=1435,1436,1437,
&end
#
# 96 ARG H 96 ARG QD 4.23
&rst
ixpk= 0, nxpk= 0, iat=1441, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2=1451,1452,
&end
#
# 97 ASP H 97 ASP HA 3.04
&rst
ixpk= 0, nxpk= 0, iat=1465,1467, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 98 ALA QB 134 VAL QG2 3.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1=1481,1482,1483,
igr2=2120,2121,2122,
&end
#
# 99 ARG H 102 ASP HB3 4.88
&rst
ixpk= 0, nxpk= 0, iat=1487,1562, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 99 ARG HA 134 VAL QG1 4.09
&rst
ixpk= 0, nxpk= 0, iat=1489, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=2116,2117,2118,
&end
#
# 99 ARG HB2 101 ARG QD 5.22
&rst
ixpk= 0, nxpk= 0, iat=1491, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=1543,1544,
&end
#
# 9 ASP H 9 ASP HA 3.10
&rst
ixpk= 0, nxpk= 0, iat= 124, 126, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 100 LYS H 100 LYS HG3 3.80
&rst
ixpk= 0, nxpk= 0, iat=1511,1519, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 100 LYS H 100 LYS QB 3.41
&rst
ixpk= 0, nxpk= 0, iat=1511, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=1515,1516,
&end
#
# 100 LYS HA 100 LYS QE 4.16
&rst
ixpk= 0, nxpk= 0, iat=1513, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1524,1525,
&end
#
# 100 LYS HA 134 VAL HA 5.80
&rst
ixpk= 0, nxpk= 0, iat=1513,2112, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 100 LYS QB 134 VAL QG2 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr1=1515,1516,
igr2=2120,2121,2122,
&end
#
# 100 LYS QE 136 ALA H 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1,2140, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=1524,1525,
&end
#
# 101 ARG H 102 ASP H 4.02
&rst
ixpk= 0, nxpk= 0, iat=1533,1557, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 101 ARG HA 102 ASP H 3.65
&rst
ixpk= 0, nxpk= 0, iat=1535,1557, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 102 ASP H 134 VAL QG1 5.16
&rst
ixpk= 0, nxpk= 0, iat=1557, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2=2116,2117,2118,
&end
#
# 102 ASP HB2 103 LYS H 4.15
&rst
ixpk= 0, nxpk= 0, iat=1561,1569, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 103 LYS H 106 TYR QE 5.76
&rst
ixpk= 0, nxpk= 0, iat=1569, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2=1619,1624,
&end
#
# 103 LYS HA 104 GLY H 3.08
&rst
ixpk= 0, nxpk= 0, iat=1571,1591, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 103 LYS HB2 103 LYS HD3 3.19
&rst
ixpk= 0, nxpk= 0, iat=1573,1580, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 103 LYS HB2 103 LYS QE 4.15
&rst
ixpk= 0, nxpk= 0, iat=1573, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1582,1583,
&end
#
# 103 LYS HB2 133 PHE H 5.42
&rst
ixpk= 0, nxpk= 0, iat=1573,2090, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 103 LYS HB2 134 VAL HA 4.81
&rst
ixpk= 0, nxpk= 0, iat=1573,2112, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 103 LYS HD2 133 PHE HZ 4.58
&rst
ixpk= 0, nxpk= 0, iat=1579,2102, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 103 LYS HD2 133 PHE QE 4.10
&rst
ixpk= 0, nxpk= 0, iat=1579, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=2100,2104,
&end
#
# 103 LYS QE 133 PHE HA 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1,2092, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1=1582,1583,
&end
#
# 104 GLY HA2 132 VAL H 5.13
&rst
ixpk= 0, nxpk= 0, iat=1593,2074, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 104 GLY HA3 132 VAL H 5.26
&rst
ixpk= 0, nxpk= 0, iat=1594,2074, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 105 SER HA 132 VAL HB 5.26
&rst
ixpk= 0, nxpk= 0, iat=1600,2078, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 106 TYR HA 107 PHE HA 5.21
&rst
ixpk= 0, nxpk= 0, iat=1611,1632, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 107 PHE H 108 PHE HA 5.40
&rst
ixpk= 0, nxpk= 0, iat=1630,1652, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 107 PHE HA 108 PHE HB2 5.16
&rst
ixpk= 0, nxpk= 0, iat=1632,1654, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 107 PHE HA 129 GLN HG3 4.95
&rst
ixpk= 0, nxpk= 0, iat=1632,2035, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 107 PHE HB2 129 GLN HG2 5.13
&rst
ixpk= 0, nxpk= 0, iat=1634,2034, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 107 PHE QD 129 GLN HE21 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,2040, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=1638,1646,
&end
#
# 10 GLY H 11 TYR H 3.67
&rst
ixpk= 0, nxpk= 0, iat= 136, 143, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 10 GLY H 12 LEU QD2 5.55
&rst
ixpk= 0, nxpk= 0, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr2= 177, 178, 179,
&end
#
# 110 LEU H 117 TRP H 4.78
&rst
ixpk= 0, nxpk= 0, iat=1694,1809, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 110 LEU QD1 112 ARG H 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1728, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1=1703,1704,1705,
&end
#
# 110 LEU QD1 112 ARG HA 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1730, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1703,1704,1705,
&end
#
# 111 GLU HA 115 MET H 6.00
&rst
ixpk= 0, nxpk= 0, iat=1715,1770, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 111 GLU HA 116 LYS QD 5.67
&rst
ixpk= 0, nxpk= 0, iat=1715, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2=1797,1798,
&end
#
# 111 GLU QG 116 LYS HG3 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1795, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1=1720,1721,
&end
#
# 112 ARG HB3 113 GLY H 4.88
&rst
ixpk= 0, nxpk= 0, iat=1733,1752, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 114 SER H 114 SER HB2 4.24
&rst
ixpk= 0, nxpk= 0, iat=1759,1763, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 115 MET H 115 MET HB3 3.66
&rst
ixpk= 0, nxpk= 0, iat=1770,1775, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 116 LYS HA 116 LYS HG2 4.16
&rst
ixpk= 0, nxpk= 0, iat=1789,1794, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 116 LYS HA 116 LYS QE 4.79
&rst
ixpk= 0, nxpk= 0, iat=1789, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1800,1801,
&end
#
# 116 LYS HG2 116 LYS QE 3.52
&rst
ixpk= 0, nxpk= 0, iat=1794, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=1800,1801,
&end
#
# 11 TYR H 11 TYR QD 3.62
&rst
ixpk= 0, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 151, 160,
&end
#
# 11 TYR HA 34 SER H 5.26
&rst
ixpk= 0, nxpk= 0, iat= 145, 505, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 11 TYR QB 125 TYR QE 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 147, 148,
igr2=1958,1963,
&end
#
# 11 TYR QD 117 TRP HD1 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1817, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 151, 160,
&end
#
# 11 TYR QD 119 TYR HH 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1857, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 151, 160,
&end
#
# 11 TYR QD 119 TYR QE 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 151, 160,
igr2=1854,1859,
&end
#
# 11 TYR QD 35 TYR HB3 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 151, 160,
&end
#
# 11 TYR QE 119 TYR HH 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1857, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 153, 158,
&end
#
# 11 TYR QE 35 TYR QD 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 153, 158,
igr2= 524, 533,
&end
#
# 11 TYR QE 36 PRO HD2 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 538, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 153, 158,
&end
#
# 11 TYR QE 36 PRO HD3 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 153, 158,
&end
#
# 121 SER H 122 GLN H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1887,1898, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 121 SER H 127 THR QG2 3.67
&rst
ixpk= 0, nxpk= 0, iat=1887, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1997,1998,1999,
&end
#
# 121 SER HA 122 GLN H 3.85
&rst
ixpk= 0, nxpk= 0, iat=1889,1898, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 121 SER HB2 122 GLN H 4.50
&rst
ixpk= 0, nxpk= 0, iat=1891,1898, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 121 SER HB2 126 LYS QD 4.55
&rst
ixpk= 0, nxpk= 0, iat=1891, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2=1979,1980,
&end
#
# 121 SER HB2 127 THR H 4.27
&rst
ixpk= 0, nxpk= 0, iat=1891,1991, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 122 GLN HA 123 LEU HG 4.57
&rst
ixpk= 0, nxpk= 0, iat=1900,1922, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 122 GLN HB2 125 TYR QD 4.98
&rst
ixpk= 0, nxpk= 0, iat=1902, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2=1956,1965,
&end
#
# 123 LEU HB2 124 ASN HB3 4.64
&rst
ixpk= 0, nxpk= 0, iat=1919,1939, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 123 LEU HB2 124 ASN HD21 5.30
&rst
ixpk= 0, nxpk= 0, iat=1919,1944, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 123 LEU HB2 124 ASN HD22 4.96
&rst
ixpk= 0, nxpk= 0, iat=1919,1943, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 123 LEU QD2 124 ASN HD21 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1944, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1=1928,1929,1930,
&end
#
# 125 TYR H 125 TYR HB3 3.70
&rst
ixpk= 0, nxpk= 0, iat=1948,1953, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 125 TYR HA 125 TYR QD 3.46
&rst
ixpk= 0, nxpk= 0, iat=1950, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=1956,1965,
&end
#
# 125 TYR QD 126 LYS H 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1,1969, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1=1956,1965,
&end
#
# 125 TYR QE 127 THR QG2 3.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1=1958,1963,
igr2=1997,1998,1999,
&end
#
# 126 LYS H 126 LYS HB2 3.39
&rst
ixpk= 0, nxpk= 0, iat=1969,1973, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 126 LYS H 127 THR HB 5.25
&rst
ixpk= 0, nxpk= 0, iat=1969,1995, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 126 LYS HB3 127 THR H 3.87
&rst
ixpk= 0, nxpk= 0, iat=1974,1991, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 126 LYS HG2 127 THR H 5.52
&rst
ixpk= 0, nxpk= 0, iat=1976,1991, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 126 LYS QD 127 THR QG2 5.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.51, r4= 8.01,
igr1=1979,1980,
igr2=1997,1998,1999,
&end
#
# 127 THR H 127 THR QG2 3.46
&rst
ixpk= 0, nxpk= 0, iat=1991, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=1997,1998,1999,
&end
#
# 127 THR QG2 128 LYS H 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1,2005, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1997,1998,1999,
&end
#
# 128 LYS H 128 LYS HB2 4.33
&rst
ixpk= 0, nxpk= 0, iat=2005,2009, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 128 LYS H 128 LYS HG3 4.86
&rst
ixpk= 0, nxpk= 0, iat=2005,2013, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 128 LYS HA 129 GLN HB2 5.04
&rst
ixpk= 0, nxpk= 0, iat=2007,2031, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 128 LYS HA 129 GLN HE21 5.80
&rst
ixpk= 0, nxpk= 0, iat=2007,2040, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 128 LYS HB3 128 LYS QE 5.45
&rst
ixpk= 0, nxpk= 0, iat=2010, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=2018,2019,
&end
#
# 129 GLN HA 130 LEU H 3.35
&rst
ixpk= 0, nxpk= 0, iat=2029,2044, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 129 GLN HB3 129 GLN HE21 4.76
&rst
ixpk= 0, nxpk= 0, iat=2032,2040, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 129 GLN HB3 130 LEU H 3.48
&rst
ixpk= 0, nxpk= 0, iat=2032,2044, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 129 GLN HG3 129 GLN HE21 3.42
&rst
ixpk= 0, nxpk= 0, iat=2035,2040, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 129 GLN HG3 130 LEU H 4.92
&rst
ixpk= 0, nxpk= 0, iat=2035,2044, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 12 LEU H 34 SER QB 4.28
&rst
ixpk= 0, nxpk= 0, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 509, 510,
&end
#
# 12 LEU HA 125 TYR QE 5.57
&rst
ixpk= 0, nxpk= 0, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr2=1958,1963,
&end
#
# 12 LEU HA 127 THR QG2 5.43
&rst
ixpk= 0, nxpk= 0, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2=1997,1998,1999,
&end
#
# 12 LEU HB2 13 LEU H 3.76
&rst
ixpk= 0, nxpk= 0, iat= 168, 183, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 12 LEU QD1 119 TYR QE 5.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1= 173, 174, 175,
igr2=1854,1859,
&end
#
# 130 LEU H 130 LEU QD1 4.88
&rst
ixpk= 0, nxpk= 0, iat=2044, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=2053,2054,2055,
&end
#
# 130 LEU H 131 SER HA 5.35
&rst
ixpk= 0, nxpk= 0, iat=2044,2065, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 130 LEU HB3 130 LEU QD2 3.40
&rst
ixpk= 0, nxpk= 0, iat=2049, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2=2057,2058,2059,
&end
#
# 130 LEU HB3 132 VAL H 5.80
&rst
ixpk= 0, nxpk= 0, iat=2049,2074, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 130 LEU HG 131 SER HA 5.27
&rst
ixpk= 0, nxpk= 0, iat=2051,2065, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 131 SER HA 132 VAL HA 5.67
&rst
ixpk= 0, nxpk= 0, iat=2065,2076, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 131 SER HA 132 VAL HB 5.09
&rst
ixpk= 0, nxpk= 0, iat=2065,2078, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 131 SER HB3 132 VAL H 4.32
&rst
ixpk= 0, nxpk= 0, iat=2068,2074, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 132 VAL HA 133 PHE QD 5.22
&rst
ixpk= 0, nxpk= 0, iat=2076, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=2098,2106,
&end
#
# 133 PHE HA 134 VAL QG2 3.87
&rst
ixpk= 0, nxpk= 0, iat=2092, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=2120,2121,2122,
&end
#
# 133 PHE QD 135 THR HA 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1,2128, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1=2098,2106,
&end
#
# 134 VAL H 135 THR QG2 5.80
&rst
ixpk= 0, nxpk= 0, iat=2110, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=2132,2133,2134,
&end
#
# 134 VAL HA 135 THR HA 4.74
&rst
ixpk= 0, nxpk= 0, iat=2112,2128, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 135 THR QG2 136 ALA HA 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1,2142, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=2132,2133,2134,
&end
#
# 13 LEU HB3 15 VAL QG1 5.45
&rst
ixpk= 0, nxpk= 0, iat= 188, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2= 225, 226, 227,
&end
#
# 13 LEU HB2 128 LYS H 5.61
&rst
ixpk= 0, nxpk= 0, iat= 187,2005, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end
#
# 13 LEU HB2 14 GLN H 4.49
&rst
ixpk= 0, nxpk= 0, iat= 187, 202, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 13 LEU HG 15 VAL QG1 4.41
&rst
ixpk= 0, nxpk= 0, iat= 190, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 225, 226, 227,
&end
#
# 13 LEU QD1 127 THR QG2 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86,
igr1= 192, 193, 194,
igr2=1997,1998,1999,
&end
#
# 13 LEU QD1 15 VAL H 5.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 219, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr1= 192, 193, 194,
&end
#
# 13 LEU QD1 15 VAL HB 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 223, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 192, 193, 194,
&end
#
# 13 LEU QD2 15 VAL H 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 219, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 196, 197, 198,
&end
#
# 141 SER QB 142 LEU HB2 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1,2222, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=2211,2212,
&end
#
# 144 PRO HA 145 ARG H 3.50
&rst
ixpk= 0, nxpk= 0, iat=2263,2267, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 145 ARG H 145 ARG QD 5.17
&rst
ixpk= 0, nxpk= 0, iat=2267, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=2277,2278,
&end
#
# 14 GLN H 14 GLN HG2 4.98
&rst
ixpk= 0, nxpk= 0, iat= 202, 209, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 14 GLN QB 32 SER HA 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 206, 207,
&end
#
# 15 VAL HA 31 CYX HA 3.45
&rst
ixpk= 0, nxpk= 0, iat= 221, 466, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 15 VAL HB 31 CYX HB3 5.05
&rst
ixpk= 0, nxpk= 0, iat= 223, 469, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 15 VAL QG1 130 LEU H 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1,2044, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 225, 226, 227,
&end
#
# 15 VAL QG2 93 LEU QD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 229, 230, 231,
igr2=1405,1406,1407,
&end
#
# 16 GLN H 29 VAL QG1 3.97
&rst
ixpk= 0, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 440, 441, 442,
&end
#
# 16 GLN HA 16 GLN HE22 5.28
&rst
ixpk= 0, nxpk= 0, iat= 237, 247, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 16 GLN HA 17 GLU H 2.94
&rst
ixpk= 0, nxpk= 0, iat= 237, 252, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 16 GLN HB3 16 GLN HE22 5.38
&rst
ixpk= 0, nxpk= 0, iat= 240, 247, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 16 GLN QG 19 VAL H 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 242, 243,
&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 HB3 5.39
&rst
ixpk= 0, nxpk= 0, iat= 252, 272, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 18 LEU HA 19 VAL HA 4.79
&rst
ixpk= 0, nxpk= 0, iat= 269, 288, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 18 LEU HB2 131 SER HB3 4.79
&rst
ixpk= 0, nxpk= 0, iat= 271,2068, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 18 LEU HB2 133 PHE QE 6.30
&rst
ixpk= 0, nxpk= 0, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr2=2100,2104,
&end
#
# 18 LEU HB3 131 SER HB2 4.87
&rst
ixpk= 0, nxpk= 0, iat= 272,2067, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 18 LEU HG 133 PHE QD 5.24
&rst
ixpk= 0, nxpk= 0, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=2098,2106,
&end
#
# 18 LEU QD1 133 PHE QD 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=2098,2106,
&end
#
# 19 VAL H 132 VAL QG1 4.77
&rst
ixpk= 0, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2=2080,2081,2082,
&end
#
# 19 VAL HA 20 THR H 2.84
&rst
ixpk= 0, nxpk= 0, iat= 288, 302, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34, &end
#
# 19 VAL QG2 29 VAL QG2 2.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 296, 297, 298,
igr2= 444, 445, 446,
&end
#
# 20 THR H 133 PHE HB3 5.49
&rst
ixpk= 0, nxpk= 0, iat= 302,2095, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 20 THR H 20 THR QG2 3.30
&rst
ixpk= 0, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 308, 309, 310,
&end
#
# 20 THR HA 134 VAL HA 5.03
&rst
ixpk= 0, nxpk= 0, iat= 304,2112, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 20 THR HA 21 VAL HA 4.73
&rst
ixpk= 0, nxpk= 0, iat= 304, 318, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 20 THR QG2 133 PHE HB3 3.15
&rst
ixpk= 0, nxpk= 0, iat= -1,2095, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 308, 309, 310,
&end
#
# 21 VAL H 21 VAL QG1 3.07
&rst
ixpk= 0, nxpk= 0, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 322, 323, 324,
&end
#
# 21 VAL HA 22 GLN H 3.01
&rst
ixpk= 0, nxpk= 0, iat= 318, 332, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 21 VAL QG1 133 PHE H 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1,2090, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 322, 323, 324,
&end
#
# 21 VAL QG2 95 ILE QG2 3.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 326, 327, 328,
igr2=1428,1429,1430,
&end
#
# 21 VAL QG2 98 ALA QB 2.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 326, 327, 328,
igr2=1481,1482,1483,
&end
#
# 22 GLN H 22 GLN HE21 5.18
&rst
ixpk= 0, nxpk= 0, iat= 332, 345, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 22 GLN H 23 GLU H 4.95
&rst
ixpk= 0, nxpk= 0, iat= 332, 349, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 22 GLN HA 134 VAL HA 4.17
&rst
ixpk= 0, nxpk= 0, iat= 334,2112, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 22 GLN HA 135 THR QG2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2132,2133,2134,
&end
#
# 22 GLN HA 22 GLN HG2 3.86
&rst
ixpk= 0, nxpk= 0, iat= 334, 339, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 22 GLN HE21 137 LEU QD2 4.23
&rst
ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=2163,2164,2165,
&end
#
# 22 GLN HE22 137 LEU HA 4.31
&rst
ixpk= 0, nxpk= 0, iat= 344,2152, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 22 GLN HE22 137 LEU QD1 5.41
&rst
ixpk= 0, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2=2159,2160,2161,
&end
#
# 22 GLN HE22 137 LEU QD2 4.36
&rst
ixpk= 0, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=2163,2164,2165,
&end
#
# 22 GLN HG3 137 LEU QD2 3.77
&rst
ixpk= 0, nxpk= 0, iat= 340, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=2163,2164,2165,
&end
#
# 22 GLN HG3 22 GLN HE21 3.33
&rst
ixpk= 0, nxpk= 0, iat= 340, 345, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 22 GLN HG2 23 GLU HA 5.80
&rst
ixpk= 0, nxpk= 0, iat= 339, 351, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 22 GLN QB 135 THR QG2 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=2132,2133,2134,
&end
#
# 23 GLU H 137 LEU QD2 4.44
&rst
ixpk= 0, nxpk= 0, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=2163,2164,2165,
&end
#
# 23 GLU HB2 136 ALA HA 3.66
&rst
ixpk= 0, nxpk= 0, iat= 353,2142, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 24 GLY H 99 ARG HA 5.07
&rst
ixpk= 0, nxpk= 0, iat= 364,1489, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 25 LEU H 97 ASP H 5.55
&rst
ixpk= 0, nxpk= 0, iat= 371,1465, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 25 LEU HB2 25 LEU QD2 3.56
&rst
ixpk= 0, nxpk= 0, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 384, 385, 386,
&end
#
# 25 LEU HB2 26 SER H 3.21
&rst
ixpk= 0, nxpk= 0, iat= 375, 390, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 26 SER H 27 VAL QG1 5.80
&rst
ixpk= 0, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2= 407, 408, 409,
&end
#
# 26 SER HA 27 VAL HA 4.93
&rst
ixpk= 0, nxpk= 0, iat= 392, 403, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 26 SER HA 96 ARG HA 3.27
&rst
ixpk= 0, nxpk= 0, iat= 392,1443, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 26 SER HA 98 ALA QB 4.52
&rst
ixpk= 0, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1481,1482,1483,
&end
#
# 26 SER HB3 95 ILE QG2 5.37
&rst
ixpk= 0, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2=1428,1429,1430,
&end
#
# 27 VAL H 94 SER HA 4.80
&rst
ixpk= 0, nxpk= 0, iat= 401,1413, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 28 HIS H 28 HIS HD2 5.24
&rst
ixpk= 0, nxpk= 0, iat= 417, 430, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 28 HIS H 94 SER HA 5.58
&rst
ixpk= 0, nxpk= 0, iat= 417,1413, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 28 HIS HA 29 VAL H 3.19
&rst
ixpk= 0, nxpk= 0, iat= 419, 434, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 28 HIS HE1 83 LEU HB3 4.12
&rst
ixpk= 0, nxpk= 0, iat= 426,1258, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 29 VAL H 94 SER HA 3.70
&rst
ixpk= 0, nxpk= 0, iat= 434,1413, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 29 VAL HB 93 LEU HB3 5.03
&rst
ixpk= 0, nxpk= 0, iat= 438,1397, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 29 VAL QG1 30 PRO HG2 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 454, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 440, 441, 442,
&end
#
# 29 VAL QG1 31 CYX HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 469, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 440, 441, 442,
&end
#
# 29 VAL QG1 31 CYX HB2 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 468, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 440, 441, 442,
&end
#
# 29 VAL QG1 93 LEU H 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1392, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 440, 441, 442,
&end
#
# 29 VAL QG1 95 ILE QD1 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
igr1= 440, 441, 442,
igr2=1435,1436,1437,
&end
#
# 29 VAL QG2 30 PRO HD2 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 444, 445, 446,
&end
#
# 29 VAL QG2 95 ILE QD1 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 444, 445, 446,
igr2=1435,1436,1437,
&end
#
# 30 PRO HA 93 LEU H 4.74
&rst
ixpk= 0, nxpk= 0, iat= 460,1392, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 30 PRO HG2 31 CYX H 5.02
&rst
ixpk= 0, nxpk= 0, iat= 454, 464, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 31 CYX H 50 TRP HZ2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 464, 748, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 32 SER HA 90 ASP HA 3.69
&rst
ixpk= 0, nxpk= 0, iat= 476,1361, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 32 SER HA 91 CYX H 3.68
&rst
ixpk= 0, nxpk= 0, iat= 476,1371, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 32 SER HA 92 SER H 4.92
&rst
ixpk= 0, nxpk= 0, iat= 476,1381, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 32 SER HB2 91 CYX H 5.54
&rst
ixpk= 0, nxpk= 0, iat= 478,1371, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 32 SER HB3 91 CYX H 5.54
&rst
ixpk= 0, nxpk= 0, iat= 479,1371, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 33 PHE H 34 SER QB 5.12
&rst
ixpk= 0, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 509, 510,
&end
#
# 33 PHE H 89 ASN HD22 5.80
&rst
ixpk= 0, nxpk= 0, iat= 485,1354, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &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
#
# 33 PHE HZ 110 LEU QD1 4.45
&rst
ixpk= 0, nxpk= 0, iat= 497, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1703,1704,1705,
&end
#
# 33 PHE QE 110 LEU HB3 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1699, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 495, 499,
&end
#
# 34 SER HA 89 ASN HD22 4.02
&rst
ixpk= 0, nxpk= 0, iat= 507,1354, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 35 TYR H 35 TYR QE 5.11
&rst
ixpk= 0, nxpk= 0, iat= 516, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 526, 531,
&end
#
# 35 TYR HB2 36 PRO HD2 4.88
&rst
ixpk= 0, nxpk= 0, iat= 520, 538, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 35 TYR HB3 36 PRO HD2 4.66
&rst
ixpk= 0, nxpk= 0, iat= 521, 538, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 35 TYR HB3 36 PRO HD3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 521, 539, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 35 TYR QE 37 GLN HA 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 526, 531,
&end
#
# 36 PRO HA 37 GLN HB3 5.05
&rst
ixpk= 0, nxpk= 0, iat= 547, 556, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 37 GLN H 37 GLN HG2 4.34
&rst
ixpk= 0, nxpk= 0, iat= 551, 558, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 37 GLN HA 37 GLN HE21 4.52
&rst
ixpk= 0, nxpk= 0, iat= 553, 564, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 37 GLN HA 38 ASP HA 5.13
&rst
ixpk= 0, nxpk= 0, iat= 553, 570, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 37 GLN HA 40 TRP HZ2 3.21
&rst
ixpk= 0, nxpk= 0, iat= 553, 600, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 37 GLN HB2 40 TRP HZ2 3.79
&rst
ixpk= 0, nxpk= 0, iat= 555, 600, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 37 GLN HG2 37 GLN HE21 3.73
&rst
ixpk= 0, nxpk= 0, iat= 558, 564, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 37 GLN HG2 37 GLN HE22 4.29
&rst
ixpk= 0, nxpk= 0, iat= 558, 563, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 38 ASP HA 39 GLY H 3.50
&rst
ixpk= 0, nxpk= 0, iat= 570, 580, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 38 ASP HB2 39 GLY H 4.90
&rst
ixpk= 0, nxpk= 0, iat= 572, 580, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 39 GLY HA2 40 TRP HD1 5.18
&rst
ixpk= 0, nxpk= 0, iat= 582, 595, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 40 TRP HA 113 GLY H 5.30
&rst
ixpk= 0, nxpk= 0, iat= 589,1752, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 40 TRP HA 115 MET H 5.16
&rst
ixpk= 0, nxpk= 0, iat= 589,1770, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 40 TRP HD1 115 MET HB3 3.82
&rst
ixpk= 0, nxpk= 0, iat= 595,1775, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 40 TRP HD1 115 MET HG2 4.21
&rst
ixpk= 0, nxpk= 0, iat= 595,1777, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 40 TRP QB 113 GLY H 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1,1752, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 591, 592,
&end
#
# 40 TRP QB 113 GLY HA3 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1,1755, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 591, 592,
&end
#
# 40 TRP QB 114 SER H 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1759, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 591, 592,
&end
#
# 40 TRP QB 115 MET H 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1770, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 591, 592,
&end
#
# 41 THR HB 42 ASP H 3.79
&rst
ixpk= 0, nxpk= 0, iat= 615, 625, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 41 THR QG2 43 SER H 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 637, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 617, 618, 619,
&end
#
# 41 THR QG2 43 SER HA 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 617, 618, 619,
&end
#
# 43 SER H 43 SER HB2 3.74
&rst
ixpk= 0, nxpk= 0, iat= 637, 641, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 43 SER H 44 ASP H 3.53
&rst
ixpk= 0, nxpk= 0, iat= 637, 648, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 43 SER HB3 44 ASP H 4.42
&rst
ixpk= 0, nxpk= 0, iat= 642, 648, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 46 VAL QG1 112 ARG HE 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1741, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 680, 681, 682,
&end
#
# 46 VAL QG1 47 HIS H 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 680, 681, 682,
&end
#
# 46 VAL QG2 87 TRP H 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1310, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 684, 685, 686,
&end
#
# 47 HIS HD2 68 PRO HD3 5.16
&rst
ixpk= 0, nxpk= 0, iat= 703,1014, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 48 GLY H 66 ASN HB3 5.19
&rst
ixpk= 0, nxpk= 0, iat= 707, 989, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 48 GLY H 82 LEU QD2 4.14
&rst
ixpk= 0, nxpk= 0, iat= 707, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1247,1248,1249,
&end
#
# 48 GLY H 86 ILE QD1 4.98
&rst
ixpk= 0, nxpk= 0, iat= 707, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1304,1305,1306,
&end
#
# 49 TYR H 49 TYR QE 5.53
&rst
ixpk= 0, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2= 724, 729,
&end
#
# 49 TYR HB3 50 TRP H 4.25
&rst
ixpk= 0, nxpk= 0, iat= 719, 735, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 49 TYR QE 65 THR HB 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 974, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 724, 729,
&end
#
# 4 ASP H 5 ARG H 4.80
&rst
ixpk= 0, nxpk= 0, iat= 43, 55, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 4 ASP HA 5 ARG HB3 5.24
&rst
ixpk= 0, nxpk= 0, iat= 45, 60, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 50 TRP H 50 TRP HE3 5.80
&rst
ixpk= 0, nxpk= 0, iat= 735, 754, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 50 TRP H 62 PRO HG2 5.61
&rst
ixpk= 0, nxpk= 0, iat= 735, 934, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end
#
# 50 TRP H 93 LEU QD1 5.80
&rst
ixpk= 0, nxpk= 0, iat= 735, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=1401,1402,1403,
&end
#
# 50 TRP HA 50 TRP HE3 4.08
&rst
ixpk= 0, nxpk= 0, iat= 737, 754, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 50 TRP HA 51 PHE H 3.39
&rst
ixpk= 0, nxpk= 0, iat= 737, 759, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 50 TRP HA 64 ALA QB 5.36
&rst
ixpk= 0, nxpk= 0, iat= 737, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2= 964, 965, 966,
&end
#
# 50 TRP HB3 106 TYR QD 4.32
&rst
ixpk= 0, nxpk= 0, iat= 740, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1617,1626,
&end
#
# 50 TRP HB3 64 ALA QB 4.18
&rst
ixpk= 0, nxpk= 0, iat= 740, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 964, 965, 966,
&end
#
# 50 TRP HB3 93 LEU QD2 5.21
&rst
ixpk= 0, nxpk= 0, iat= 740, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2=1405,1406,1407,
&end
#
# 50 TRP HD1 63 VAL QG2 5.08
&rst
ixpk= 0, nxpk= 0, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2= 954, 955, 956,
&end
#
# 50 TRP HD1 82 LEU HG 4.12
&rst
ixpk= 0, nxpk= 0, iat= 743,1241, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 50 TRP HD1 82 LEU QD1 2.96
&rst
ixpk= 0, nxpk= 0, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2=1243,1244,1245,
&end
#
# 50 TRP HE1 82 LEU HG 4.69
&rst
ixpk= 0, nxpk= 0, iat= 745,1241, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 50 TRP HE1 82 LEU QD1 3.48
&rst
ixpk= 0, nxpk= 0, iat= 745, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=1243,1244,1245,
&end
#
# 50 TRP HE1 93 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 745,1399, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 TRP HE3 106 TYR HA 4.63
&rst
ixpk= 0, nxpk= 0, iat= 754,1611, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 50 TRP HE3 107 PHE H 3.77
&rst
ixpk= 0, nxpk= 0, iat= 754,1630, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 50 TRP HH2 107 PHE HA 4.93
&rst
ixpk= 0, nxpk= 0, iat= 750,1632, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 50 TRP HZ2 130 LEU QD2 4.27
&rst
ixpk= 0, nxpk= 0, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=2057,2058,2059,
&end
#
# 50 TRP HZ3 130 LEU H 3.94
&rst
ixpk= 0, nxpk= 0, iat= 752,2044, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 50 TRP HZ3 130 LEU HB3 4.26
&rst
ixpk= 0, nxpk= 0, iat= 752,2049, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 51 PHE H 108 PHE HA 4.28
&rst
ixpk= 0, nxpk= 0, iat= 759,1652, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 51 PHE H 108 PHE HB2 5.69
&rst
ixpk= 0, nxpk= 0, iat= 759,1654, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end
#
# 51 PHE HA 52 ARG H 3.69
&rst
ixpk= 0, nxpk= 0, iat= 761, 779, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 51 PHE HB3 107 PHE HZ 4.50
&rst
ixpk= 0, nxpk= 0, iat= 764,1642, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 51 PHE HB2 107 PHE H 4.96
&rst
ixpk= 0, nxpk= 0, iat= 763,1630, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 51 PHE HZ 57 PRO HA 4.33
&rst
ixpk= 0, nxpk= 0, iat= 771, 866, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 52 ARG H 63 VAL H 5.05
&rst
ixpk= 0, nxpk= 0, iat= 779, 944, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 52 ARG HA 53 ALA H 3.27
&rst
ixpk= 0, nxpk= 0, iat= 781, 803, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 52 ARG QD 106 TYR HH 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1622, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 789, 790,
&end
#
# 53 ALA QB 106 TYR HB3 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1614, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1= 807, 808, 809,
&end
#
# 55 ASP H 55 ASP HB2 4.22
&rst
ixpk= 0, nxpk= 0, iat= 820, 824, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 55 ASP H 56 ARG QG 5.80
&rst
ixpk= 0, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2= 839, 840,
&end
#
# 57 PRO HG3 107 PHE HZ 4.15
&rst
ixpk= 0, nxpk= 0, iat= 861,1642, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 58 TYR HA 58 TYR QD 3.44
&rst
ixpk= 0, nxpk= 0, iat= 872, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 878, 887,
&end
#
# 5 ARG H 5 ARG HB2 4.10
&rst
ixpk= 0, nxpk= 0, iat= 55, 59, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 5 ARG H 5 ARG HB3 3.67
&rst
ixpk= 0, nxpk= 0, iat= 55, 60, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 5 ARG H 5 ARG QD 4.40
&rst
ixpk= 0, nxpk= 0, iat= 55, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 65, 66,
&end
#
# 5 ARG H 6 GLN H 4.77
&rst
ixpk= 0, nxpk= 0, iat= 55, 79, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 5 ARG HA 5 ARG HB3 3.13
&rst
ixpk= 0, nxpk= 0, iat= 57, 60, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 5 ARG HB2 6 GLN H 3.62
&rst
ixpk= 0, nxpk= 0, iat= 59, 79, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 5 ARG HB2 9 ASP H 5.16
&rst
ixpk= 0, nxpk= 0, iat= 59, 124, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 5 ARG HB3 9 ASP HB3 4.81
&rst
ixpk= 0, nxpk= 0, iat= 60, 129, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 5 ARG HG3 9 ASP HB2 4.12
&rst
ixpk= 0, nxpk= 0, iat= 63, 128, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 5 ARG QD 6 GLN H 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 79, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 65, 66,
&end
#
# 5 ARG QD 9 ASP HB3 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 129, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 65, 66,
&end
#
# 61 ALA H 61 ALA QB 3.13
&rst
ixpk= 0, nxpk= 0, iat= 920, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 924, 925, 926,
&end
#
# 61 ALA H 62 PRO HD2 5.19
&rst
ixpk= 0, nxpk= 0, iat= 920, 931, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 61 ALA H 73 GLN HE22 3.86
&rst
ixpk= 0, nxpk= 0, iat= 920,1105, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 61 ALA QB 62 PRO HA 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 940, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 924, 925, 926,
&end
#
# 61 ALA QB 72 VAL H 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 924, 925, 926,
&end
#
# 62 PRO HA 63 VAL H 3.69
&rst
ixpk= 0, nxpk= 0, iat= 940, 944, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 62 PRO HD2 65 THR QG2 5.40
&rst
ixpk= 0, nxpk= 0, iat= 931, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 976, 977, 978,
&end
#
# 63 VAL H 73 GLN H 5.03
&rst
ixpk= 0, nxpk= 0, iat= 944,1093, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 63 VAL HA 76 THR QG2 3.56
&rst
ixpk= 0, nxpk= 0, iat= 946, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=1141,1142,1143,
&end
#
# 63 VAL HB 80 PHE QE 4.29
&rst
ixpk= 0, nxpk= 0, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1207,1211,
&end
#
# 63 VAL QG1 73 GLN HG3 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1101, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 950, 951, 952,
&end
#
# 63 VAL QG1 80 PHE QD 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 950, 951, 952,
igr2=1205,1213,
&end
#
# 63 VAL QG1 80 PHE QE 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 950, 951, 952,
igr2=1207,1211,
&end
#
# 64 ALA QB 65 THR H 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 970, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 964, 965, 966,
&end
#
# 64 ALA QB 80 PHE HA 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1199, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 964, 965, 966,
&end
#
# 65 THR H 66 ASN H 4.73
&rst
ixpk= 0, nxpk= 0, iat= 970, 984, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 65 THR H 72 VAL QG1 3.40
&rst
ixpk= 0, nxpk= 0, iat= 970, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2=1083,1084,1085,
&end
#
# 65 THR QG2 67 ASN HB3 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1,1003, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 976, 977, 978,
&end
#
# 65 THR QG2 70 ARG HB3 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 976, 977, 978,
&end
#
# 67 ASN H 67 ASN HB3 4.07
&rst
ixpk= 0, nxpk= 0, iat= 998,1003, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 67 ASN HA 68 PRO HD2 3.70
&rst
ixpk= 0, nxpk= 0, iat=1000,1013, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 67 ASN HA 68 PRO HD3 3.74
&rst
ixpk= 0, nxpk= 0, iat=1000,1014, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 6 GLN H 9 ASP HB2 4.01
&rst
ixpk= 0, nxpk= 0, iat= 79, 128, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 6 GLN H 9 ASP HB3 4.73
&rst
ixpk= 0, nxpk= 0, iat= 79, 129, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 6 GLN HA 7 TYR HB3 4.80
&rst
ixpk= 0, nxpk= 0, iat= 81, 101, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 6 GLN HG2 9 ASP H 5.04
&rst
ixpk= 0, nxpk= 0, iat= 86, 124, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 6 GLN HG2 9 ASP HB2 5.25
&rst
ixpk= 0, nxpk= 0, iat= 86, 128, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 70 ARG HB2 71 GLU H 4.81
&rst
ixpk= 0, nxpk= 0, iat=1042,1062, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 71 GLU H 71 GLU HG3 4.20
&rst
ixpk= 0, nxpk= 0, iat=1062,1070, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 71 GLU HA 71 GLU HG3 4.27
&rst
ixpk= 0, nxpk= 0, iat=1064,1070, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 72 VAL H 72 VAL QG1 3.39
&rst
ixpk= 0, nxpk= 0, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1083,1084,1085,
&end
#
# 72 VAL H 72 VAL QG2 2.96
&rst
ixpk= 0, nxpk= 0, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2=1087,1088,1089,
&end
#
# 72 VAL HB 76 THR QG2 5.23
&rst
ixpk= 0, nxpk= 0, iat=1081, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2=1141,1142,1143,
&end
#
# 73 GLN H 73 GLN HG2 3.40
&rst
ixpk= 0, nxpk= 0, iat=1093,1100, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 73 GLN HA 73 GLN HG3 4.15
&rst
ixpk= 0, nxpk= 0, iat=1095,1101, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 73 GLN HA 76 THR QG2 5.24
&rst
ixpk= 0, nxpk= 0, iat=1095, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=1141,1142,1143,
&end
#
# 73 GLN HB3 73 GLN HE21 5.15
&rst
ixpk= 0, nxpk= 0, iat=1098,1106, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 73 GLN HB3 74 ALA QB 4.99
&rst
ixpk= 0, nxpk= 0, iat=1098, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1114,1115,1116,
&end
#
# 73 GLN HB2 76 THR HB 5.30
&rst
ixpk= 0, nxpk= 0, iat=1097,1139, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 73 GLN HG3 76 THR QG2 4.39
&rst
ixpk= 0, nxpk= 0, iat=1101, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=1141,1142,1143,
&end
#
# 74 ALA QB 75 GLU H 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1120, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1=1114,1115,1116,
&end
#
# 74 ALA QB 76 THR QG2 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.37, r4= 8.87,
igr1=1114,1115,1116,
igr2=1141,1142,1143,
&end
#
# 75 GLU H 76 THR HA 5.72
&rst
ixpk= 0, nxpk= 0, iat=1120,1137, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, &end
#
# 76 THR HA 79 ARG HA 5.80
&rst
ixpk= 0, nxpk= 0, iat=1137,1175, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 76 THR HB 77 GLN H 4.94
&rst
ixpk= 0, nxpk= 0, iat=1139,1149, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 76 THR QG2 80 PHE QD 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1141,1142,1143,
igr2=1205,1213,
&end
#
# 77 GLN H 77 GLN QB 2.87
&rst
ixpk= 0, nxpk= 0, iat=1149, -1, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,
igr2=1153,1154,
&end
#
# 77 GLN QG 78 GLY H 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1166, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1156,1157,
&end
#
# 78 GLY HA3 79 ARG H 3.75
&rst
ixpk= 0, nxpk= 0, iat=1169,1173, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 79 ARG H 79 ARG HB3 4.04
&rst
ixpk= 0, nxpk= 0, iat=1173,1178, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 79 ARG HA 79 ARG HD2 5.43
&rst
ixpk= 0, nxpk= 0, iat=1175,1183, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 79 ARG HA 96 ARG HG3 4.74
&rst
ixpk= 0, nxpk= 0, iat=1175,1449, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 79 ARG HA 97 ASP HB3 5.42
&rst
ixpk= 0, nxpk= 0, iat=1175,1470, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 79 ARG HH12 95 ILE QG2 5.04
&rst
ixpk= 0, nxpk= 0, iat=1190, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1428,1429,1430,
&end
#
# 79 ARG HH12 97 ASP HB3 5.14
&rst
ixpk= 0, nxpk= 0, iat=1190,1470, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 7 TYR H 7 TYR HB2 3.57
&rst
ixpk= 0, nxpk= 0, iat= 96, 100, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 7 TYR H 7 TYR HB3 3.55
&rst
ixpk= 0, nxpk= 0, iat= 96, 101, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 7 TYR HB3 124 ASN HD21 4.84
&rst
ixpk= 0, nxpk= 0, iat= 101,1944, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 7 TYR QD 8 GLY HA3 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 120, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 104, 113,
&end
#
# 7 TYR QE 122 GLN HA 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1900, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 106, 111,
&end
#
# 80 PHE HA 93 LEU QD2 4.88
&rst
ixpk= 0, nxpk= 0, iat=1199, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=1405,1406,1407,
&end
#
# 80 PHE HZ 102 ASP HA 4.88
&rst
ixpk= 0, nxpk= 0, iat=1209,1559, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 80 PHE HZ 102 ASP HB2 3.81
&rst
ixpk= 0, nxpk= 0, iat=1209,1561, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 80 PHE HZ 106 TYR HH 3.96
&rst
ixpk= 0, nxpk= 0, iat=1209,1622, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 80 PHE QD 95 ILE HG13 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1,1433, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1205,1213,
&end
#
# 80 PHE QD 95 ILE QD1 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1=1205,1213,
igr2=1435,1436,1437,
&end
#
# 81 GLN H 81 GLN HG3 3.99
&rst
ixpk= 0, nxpk= 0, iat=1217,1225, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 81 GLN H 81 GLN HG2 4.21
&rst
ixpk= 0, nxpk= 0, iat=1217,1224, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 81 GLN HB3 81 GLN HE21 4.77
&rst
ixpk= 0, nxpk= 0, iat=1222,1230, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 81 GLN HB2 83 LEU QD2 3.70
&rst
ixpk= 0, nxpk= 0, iat=1221, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=1266,1267,1268,
&end
#
# 82 LEU H 82 LEU HB3 3.54
&rst
ixpk= 0, nxpk= 0, iat=1234,1239, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 82 LEU HA 83 LEU HA 4.95
&rst
ixpk= 0, nxpk= 0, iat=1236,1255, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 83 LEU HB3 94 SER QB 5.23
&rst
ixpk= 0, nxpk= 0, iat=1258, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=1415,1416,
&end
#
# 83 LEU QD1 93 LEU H 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1392, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1262,1263,1264,
&end
#
# 85 ASP H 85 ASP HB3 3.89
&rst
ixpk= 0, nxpk= 0, iat=1279,1284, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 86 ILE HB 86 ILE QD1 3.51
&rst
ixpk= 0, nxpk= 0, iat=1295, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=1304,1305,1306,
&end
#
# 86 ILE QD1 87 TRP HZ2 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1323, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1=1304,1305,1306,
&end
#
# 86 ILE QG2 87 TRP HD1 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1,1318, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1297,1298,1299,
&end
#
# 86 ILE QG2 87 TRP HE1 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=1297,1298,1299,
&end
#
# 87 TRP HB2 87 TRP HE3 4.47
&rst
ixpk= 0, nxpk= 0, iat=1314,1329, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 89 ASN HB2 90 ASP H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1349,1359, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 GLY HA3 125 TYR QE 4.64
&rst
ixpk= 0, nxpk= 0, iat= 120, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1958,1963,
&end
#
# 8 GLY HA3 9 ASP H 3.84
&rst
ixpk= 0, nxpk= 0, iat= 120, 124, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 90 ASP HA 92 SER H 4.12
&rst
ixpk= 0, nxpk= 0, iat=1361,1381, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 90 ASP HB3 91 CYX H 3.98
&rst
ixpk= 0, nxpk= 0, iat=1364,1371, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 92 SER H 92 SER HB2 4.17
&rst
ixpk= 0, nxpk= 0, iat=1381,1385, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 93 LEU HB2 93 LEU QD2 3.24
&rst
ixpk= 0, nxpk= 0, iat=1396, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=1405,1406,1407,
&end
#
# 93 LEU HB3 94 SER H 4.87
&rst
ixpk= 0, nxpk= 0, iat=1397,1411, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 93 LEU QD1 130 LEU QD2 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1=1401,1402,1403,
igr2=2057,2058,2059,
&end
#
# 93 LEU QD1 94 SER QB 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1=1401,1402,1403,
igr2=1415,1416,
&end
#
# 94 SER HA 95 ILE QG2 5.74
&rst
ixpk= 0, nxpk= 0, iat=1413, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr2=1428,1429,1430,
&end
#
# 94 SER QB 95 ILE QD1 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr1=1415,1416,
igr2=1435,1436,1437,
&end
#
# 95 ILE H 95 ILE HG12 4.83
&rst
ixpk= 0, nxpk= 0, iat=1422,1432, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 95 ILE QD1 106 TYR QE 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1=1435,1436,1437,
igr2=1619,1624,
&end
#
# 95 ILE QD1 130 LEU HG 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1,2051, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=1435,1436,1437,
&end
#
# 95 ILE QG2 98 ALA HA 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1479, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1=1428,1429,1430,
&end
#
# 96 ARG H 96 ARG HG3 4.01
&rst
ixpk= 0, nxpk= 0, iat=1441,1449, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 96 ARG QB 97 ASP HA 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1467, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1445,1446,
&end
#
# 97 ASP HB2 98 ALA H 4.91
&rst
ixpk= 0, nxpk= 0, iat=1469,1477, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 98 ALA HA 99 ARG H 3.32
&rst
ixpk= 0, nxpk= 0, iat=1479,1487, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 98 ALA QB 134 VAL QG1 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1=1481,1482,1483,
igr2=2116,2117,2118,
&end
#
# 9 ASP HA 9 ASP HB2 3.15
&rst
ixpk= 0, nxpk= 0, iat= 126, 128, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 100 LYS H 100 LYS QD 4.24
&rst
ixpk= 0, nxpk= 0, iat=1511, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1521,1522,
&end
#
# 100 LYS H 101 ARG H 4.92
&rst
ixpk= 0, nxpk= 0, iat=1511,1533, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 100 LYS HA 134 VAL QG1 3.38
&rst
ixpk= 0, nxpk= 0, iat=1513, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=2116,2117,2118,
&end
#
# 100 LYS HG3 100 LYS QD 2.90
&rst
ixpk= 0, nxpk= 0, iat=1519, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2=1521,1522,
&end
#
# 100 LYS HG3 134 VAL QG1 4.51
&rst
ixpk= 0, nxpk= 0, iat=1519, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=2116,2117,2118,
&end
#
# 100 LYS HG2 100 LYS QE 3.32
&rst
ixpk= 0, nxpk= 0, iat=1518, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2=1524,1525,
&end
#
# 100 LYS HG2 134 VAL QG1 3.84
&rst
ixpk= 0, nxpk= 0, iat=1518, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=2116,2117,2118,
&end
#
# 100 LYS QB 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=1515,1516,
igr2=2116,2117,2118,
&end
#
# 100 LYS QE 136 ALA QB 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1524,1525,
igr2=2144,2145,2146,
&end
#
# 101 ARG HA 101 ARG QG 3.71
&rst
ixpk= 0, nxpk= 0, iat=1535, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=1540,1541,
&end
#
# 101 ARG HB2 102 ASP H 5.32
&rst
ixpk= 0, nxpk= 0, iat=1537,1557, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 101 ARG HB3 102 ASP H 5.32
&rst
ixpk= 0, nxpk= 0, iat=1538,1557, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 102 ASP H 103 LYS HB2 4.96
&rst
ixpk= 0, nxpk= 0, iat=1557,1573, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 103 LYS H 103 LYS HB3 3.11
&rst
ixpk= 0, nxpk= 0, iat=1569,1574, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 103 LYS H 134 VAL HB 5.17
&rst
ixpk= 0, nxpk= 0, iat=1569,2114, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 103 LYS H 134 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=2116,2117,2118,
&end
#
# 103 LYS HA 104 GLY HA2 4.93
&rst
ixpk= 0, nxpk= 0, iat=1571,1593, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 103 LYS HB3 103 LYS QE 4.05
&rst
ixpk= 0, nxpk= 0, iat=1574, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1582,1583,
&end
#
# 103 LYS HD3 133 PHE HA 4.30
&rst
ixpk= 0, nxpk= 0, iat=1580,2092, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 103 LYS HD3 133 PHE QD 4.44
&rst
ixpk= 0, nxpk= 0, iat=1580, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=2098,2106,
&end
#
# 103 LYS HD3 133 PHE QE 3.97
&rst
ixpk= 0, nxpk= 0, iat=1580, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=2100,2104,
&end
#
# 103 LYS HD2 104 GLY H 5.67
&rst
ixpk= 0, nxpk= 0, iat=1579,1591, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 103 LYS HD2 133 PHE QD 4.45
&rst
ixpk= 0, nxpk= 0, iat=1579, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2=2098,2106,
&end
#
# 103 LYS HG2 104 GLY HA3 5.06
&rst
ixpk= 0, nxpk= 0, iat=1576,1594, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 103 LYS QE 133 PHE QD 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1=1582,1583,
igr2=2098,2106,
&end
#
# 104 GLY H 134 VAL H 5.80
&rst
ixpk= 0, nxpk= 0, iat=1591,2110, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 104 GLY HA2 105 SER H 3.55
&rst
ixpk= 0, nxpk= 0, iat=1593,1598, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 104 GLY HA2 105 SER HA 5.38
&rst
ixpk= 0, nxpk= 0, iat=1593,1600, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 104 GLY HA2 105 SER HB2 5.20
&rst
ixpk= 0, nxpk= 0, iat=1593,1602, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 104 GLY HA3 132 VAL HB 5.38
&rst
ixpk= 0, nxpk= 0, iat=1594,2078, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 105 SER H 106 TYR H 4.73
&rst
ixpk= 0, nxpk= 0, iat=1598,1609, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 105 SER H 106 TYR QD 4.63
&rst
ixpk= 0, nxpk= 0, iat=1598, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1617,1626,
&end
#
# 105 SER H 106 TYR QE 4.71
&rst
ixpk= 0, nxpk= 0, iat=1598, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2=1619,1624,
&end
#
# 105 SER HA 106 TYR H 3.30
&rst
ixpk= 0, nxpk= 0, iat=1600,1609, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 105 SER HA 106 TYR HA 4.87
&rst
ixpk= 0, nxpk= 0, iat=1600,1611, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 105 SER HA 106 TYR QD 3.73
&rst
ixpk= 0, nxpk= 0, iat=1600, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1617,1626,
&end
#
# 105 SER HA 131 SER HB2 4.98
&rst
ixpk= 0, nxpk= 0, iat=1600,2067, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 105 SER HB2 106 TYR H 4.08
&rst
ixpk= 0, nxpk= 0, iat=1602,1609, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 105 SER HB2 106 TYR QD 5.67
&rst
ixpk= 0, nxpk= 0, iat=1602, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2=1617,1626,
&end
#
# 105 SER HB2 129 GLN HB2 5.80
&rst
ixpk= 0, nxpk= 0, iat=1602,2031, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 105 SER HB2 131 SER HA 4.29
&rst
ixpk= 0, nxpk= 0, iat=1602,2065, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 105 SER HB3 106 TYR QD 5.70
&rst
ixpk= 0, nxpk= 0, iat=1603, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2=1617,1626,
&end
#
# 105 SER HB3 131 SER HA 4.83
&rst
ixpk= 0, nxpk= 0, iat=1603,2065, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 106 TYR H 106 TYR QD 3.45
&rst
ixpk= 0, nxpk= 0, iat=1609, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=1617,1626,
&end
#
# 106 TYR H 129 GLN HB3 4.58
&rst
ixpk= 0, nxpk= 0, iat=1609,2032, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 106 TYR H 129 GLN HB2 5.59
&rst
ixpk= 0, nxpk= 0, iat=1609,2031, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end
#
# 106 TYR H 130 LEU QD1 5.62
&rst
ixpk= 0, nxpk= 0, iat=1609, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr2=2053,2054,2055,
&end
#
# 106 TYR H 132 VAL QG2 4.64
&rst
ixpk= 0, nxpk= 0, iat=1609, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=2084,2085,2086,
&end
#
# 106 TYR HA 107 PHE H 3.23
&rst
ixpk= 0, nxpk= 0, iat=1611,1630, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 106 TYR HA 130 LEU QD2 5.73
&rst
ixpk= 0, nxpk= 0, iat=1611, -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr2=2057,2058,2059,
&end
#
# 106 TYR HB2 130 LEU QD2 3.99
&rst
ixpk= 0, nxpk= 0, iat=1613, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=2057,2058,2059,
&end
#
# 106 TYR HB2 132 VAL QG2 4.84
&rst
ixpk= 0, nxpk= 0, iat=1613, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=2084,2085,2086,
&end
#
# 106 TYR HH 132 VAL QG1 4.80
&rst
ixpk= 0, nxpk= 0, iat=1622, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=2080,2081,2082,
&end
#
# 106 TYR QD 107 PHE H 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1630, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1617,1626,
&end
#
# 106 TYR QD 130 LEU H 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1,2044, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1=1617,1626,
&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 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1,2065, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1619,1624,
&end
#
# 106 TYR QE 132 VAL HB 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1,2078, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1=1619,1624,
&end
#
# 106 TYR QE 132 VAL QG2 3.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1619,1624,
igr2=2084,2085,2086,
&end
#
# 107 PHE H 130 LEU H 5.80
&rst
ixpk= 0, nxpk= 0, iat=1630,2044, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 107 PHE HA 129 GLN HB2 5.64
&rst
ixpk= 0, nxpk= 0, iat=1632,2031, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 108 PHE HB2 109 ARG H 4.36
&rst
ixpk= 0, nxpk= 0, iat=1654,1670, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 109 ARG H 110 LEU H 4.73
&rst
ixpk= 0, nxpk= 0, iat=1670,1694, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 10 GLY H 12 LEU H 5.62
&rst
ixpk= 0, nxpk= 0, iat= 136, 164, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 10 GLY HA2 11 TYR QD 5.80
&rst
ixpk= 0, nxpk= 0, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2= 151, 160,
&end
#
# 10 GLY HA3 36 PRO HB3 5.28
&rst
ixpk= 0, nxpk= 0, iat= 139, 545, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 10 GLY HA3 36 PRO HD3 4.83
&rst
ixpk= 0, nxpk= 0, iat= 139, 539, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 110 LEU H 110 LEU QD1 4.89
&rst
ixpk= 0, nxpk= 0, iat=1694, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=1703,1704,1705,
&end
#
# 110 LEU HB3 110 LEU QD1 4.02
&rst
ixpk= 0, nxpk= 0, iat=1699, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1703,1704,1705,
&end
#
# 110 LEU HB3 119 TYR QE 4.97
&rst
ixpk= 0, nxpk= 0, iat=1699, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1854,1859,
&end
#
# 110 LEU HB2 110 LEU QD1 3.76
&rst
ixpk= 0, nxpk= 0, iat=1698, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=1703,1704,1705,
&end
#
# 110 LEU QD1 111 GLU H 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1713, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1=1703,1704,1705,
&end
#
# 110 LEU QD2 112 ARG H 5.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1728, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr1=1707,1708,1709,
&end
#
# 110 LEU QD2 119 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=1707,1708,1709,
igr2=1854,1859,
&end
#
# 111 GLU H 111 GLU QG 4.59
&rst
ixpk= 0, nxpk= 0, iat=1713, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1720,1721,
&end
#
# 111 GLU H 116 LYS HA 5.62
&rst
ixpk= 0, nxpk= 0, iat=1713,1789, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 111 GLU QG 112 ARG H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1728, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1720,1721,
&end
#
# 111 GLU QG 116 LYS HA 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1789, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=1720,1721,
&end
#
# 111 GLU QG 116 LYS HG2 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1794, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1=1720,1721,
&end
#
# 112 ARG H 115 MET H 4.41
&rst
ixpk= 0, nxpk= 0, iat=1728,1770, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 112 ARG H 117 TRP H 5.80
&rst
ixpk= 0, nxpk= 0, iat=1728,1809, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 113 GLY H 114 SER H 5.30
&rst
ixpk= 0, nxpk= 0, iat=1752,1759, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 113 GLY HA3 114 SER HA 5.12
&rst
ixpk= 0, nxpk= 0, iat=1755,1761, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 114 SER H 114 SER HB3 4.24
&rst
ixpk= 0, nxpk= 0, iat=1759,1764, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 114 SER H 115 MET H 3.49
&rst
ixpk= 0, nxpk= 0, iat=1759,1770, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 114 SER HA 114 SER HB2 3.31
&rst
ixpk= 0, nxpk= 0, iat=1761,1763, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 114 SER HA 116 LYS QD 5.66
&rst
ixpk= 0, nxpk= 0, iat=1761, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2=1797,1798,
&end
#
# 115 MET H 115 MET HB2 3.65
&rst
ixpk= 0, nxpk= 0, iat=1770,1774, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 115 MET HG3 116 LYS HA 5.09
&rst
ixpk= 0, nxpk= 0, iat=1778,1789, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 115 MET HG2 115 MET QE 3.40
&rst
ixpk= 0, nxpk= 0, iat=1777, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2=1781,1782,1783,
&end
#
# 116 LYS QD 117 TRP H 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1809, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=1797,1798,
&end
#
# 117 TRP HE1 119 TYR QE 4.91
&rst
ixpk= 0, nxpk= 0, iat=1819, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1854,1859,
&end
#
# 117 TRP HE1 125 TYR QE 3.95
&rst
ixpk= 0, nxpk= 0, iat=1819, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=1958,1963,
&end
#
# 117 TRP HE1 127 THR QG2 5.40
&rst
ixpk= 0, nxpk= 0, iat=1819, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2=1997,1998,1999,
&end
#
# 119 TYR QE 119 TYR HH 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1857, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1=1854,1859,
&end
#
# 11 TYR H 117 TRP HE1 5.75
&rst
ixpk= 0, nxpk= 0, iat= 143,1819, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 11 TYR H 119 TYR QE 5.53
&rst
ixpk= 0, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2=1854,1859,
&end
#
# 11 TYR H 36 PRO HD3 4.80
&rst
ixpk= 0, nxpk= 0, iat= 143, 539, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 11 TYR HA 11 TYR QE 5.05
&rst
ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 153, 158,
&end
#
# 11 TYR QB 117 TRP HE1 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1819, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 147, 148,
&end
#
# 11 TYR QD 117 TRP HE1 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1819, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 151, 160,
&end
#
# 11 TYR QD 36 PRO HD2 5.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 538, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 151, 160,
&end
#
# 120 LYS H 120 LYS HG2 4.88
&rst
ixpk= 0, nxpk= 0, iat=1865,1872, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 120 LYS HA 120 LYS HG2 4.44
&rst
ixpk= 0, nxpk= 0, iat=1867,1872, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 120 LYS HA 120 LYS HG3 4.44
&rst
ixpk= 0, nxpk= 0, iat=1867,1873, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 120 LYS HA 127 THR QG2 4.15
&rst
ixpk= 0, nxpk= 0, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=1997,1998,1999,
&end
#
# 120 LYS HA 129 GLN HE21 4.02
&rst
ixpk= 0, nxpk= 0, iat=1867,2040, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 120 LYS HA 129 GLN HE22 4.36
&rst
ixpk= 0, nxpk= 0, iat=1867,2039, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 120 LYS HA 129 GLN HG2 5.27
&rst
ixpk= 0, nxpk= 0, iat=1867,2034, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 120 LYS HB3 120 LYS HD2 4.39
&rst
ixpk= 0, nxpk= 0, iat=1870,1875, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 120 LYS HB3 120 LYS HD3 4.39
&rst
ixpk= 0, nxpk= 0, iat=1870,1876, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 121 SER H 127 THR HB 6.00
&rst
ixpk= 0, nxpk= 0, iat=1887,1995, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 121 SER H 129 GLN HE21 4.40
&rst
ixpk= 0, nxpk= 0, iat=1887,2040, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 121 SER H 129 GLN HE22 4.63
&rst
ixpk= 0, nxpk= 0, iat=1887,2039, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 121 SER H 129 GLN HG3 5.10
&rst
ixpk= 0, nxpk= 0, iat=1887,2035, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 121 SER HB2 126 LYS HG3 5.64
&rst
ixpk= 0, nxpk= 0, iat=1891,1977, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 121 SER HB2 127 THR QG2 5.10
&rst
ixpk= 0, nxpk= 0, iat=1891, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=1997,1998,1999,
&end
#
# 121 SER HB3 122 GLN H 4.96
&rst
ixpk= 0, nxpk= 0, iat=1892,1898, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 122 GLN H 122 GLN HG2 5.57
&rst
ixpk= 0, nxpk= 0, iat=1898,1905, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 122 GLN H 125 TYR HB2 5.13
&rst
ixpk= 0, nxpk= 0, iat=1898,1952, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 122 GLN HA 123 LEU QD1 4.41
&rst
ixpk= 0, nxpk= 0, iat=1900, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1924,1925,1926,
&end
#
# 122 GLN HB3 125 TYR QD 5.02
&rst
ixpk= 0, nxpk= 0, iat=1903, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=1956,1965,
&end
#
# 122 GLN HB2 123 LEU QD1 4.46
&rst
ixpk= 0, nxpk= 0, iat=1902, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=1924,1925,1926,
&end
#
# 123 LEU HA 123 LEU HG 4.02
&rst
ixpk= 0, nxpk= 0, iat=1917,1922, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 123 LEU HB3 124 ASN H 4.02
&rst
ixpk= 0, nxpk= 0, iat=1920,1934, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 123 LEU HB2 124 ASN H 3.79
&rst
ixpk= 0, nxpk= 0, iat=1919,1934, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 123 LEU HB2 124 ASN HA 4.86
&rst
ixpk= 0, nxpk= 0, iat=1919,1936, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 123 LEU QD2 124 ASN H 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1,1934, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1928,1929,1930,
&end
#
# 123 LEU QD2 124 ASN HD22 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1943, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1928,1929,1930,
&end
#
# 124 ASN H 124 ASN HB2 4.37
&rst
ixpk= 0, nxpk= 0, iat=1934,1938, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 125 TYR H 125 TYR HB2 3.71
&rst
ixpk= 0, nxpk= 0, iat=1948,1952, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 125 TYR H 126 LYS H 4.96
&rst
ixpk= 0, nxpk= 0, iat=1948,1969, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 125 TYR HB3 126 LYS H 4.39
&rst
ixpk= 0, nxpk= 0, iat=1953,1969, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 125 TYR QD 127 THR H 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1991, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1956,1965,
&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 QG2 129 GLN H 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1,2027, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1=1997,1998,1999,
&end
#
# 127 THR QG2 129 GLN HG3 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1,2035, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1997,1998,1999,
&end
#
# 128 LYS H 128 LYS HG2 4.88
&rst
ixpk= 0, nxpk= 0, iat=2005,2012, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 128 LYS H 129 GLN H 4.97
&rst
ixpk= 0, nxpk= 0, iat=2005,2027, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 128 LYS HA 128 LYS HG3 3.82
&rst
ixpk= 0, nxpk= 0, iat=2007,2013, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 128 LYS HB2 129 GLN H 4.40
&rst
ixpk= 0, nxpk= 0, iat=2009,2027, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 128 LYS HG2 128 LYS QE 3.75
&rst
ixpk= 0, nxpk= 0, iat=2012, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2=2018,2019,
&end
#
# 128 LYS HG3 129 GLN H 3.92
&rst
ixpk= 0, nxpk= 0, iat=2013,2027, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 129 GLN H 129 GLN HB2 3.64
&rst
ixpk= 0, nxpk= 0, iat=2027,2031, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 129 GLN H 129 GLN HG3 4.17
&rst
ixpk= 0, nxpk= 0, iat=2027,2035, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 129 GLN HG3 129 GLN HE22 3.93
&rst
ixpk= 0, nxpk= 0, iat=2035,2039, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 12 LEU H 12 LEU HB3 3.90
&rst
ixpk= 0, nxpk= 0, iat= 164, 169, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 12 LEU HB3 14 GLN HE21 4.95
&rst
ixpk= 0, nxpk= 0, iat= 169, 215, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 12 LEU HB2 34 SER QB 5.38
&rst
ixpk= 0, nxpk= 0, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 509, 510,
&end
#
# 12 LEU QD1 14 GLN HE22 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 214, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 173, 174, 175,
&end
#
# 12 LEU QD1 34 SER QB 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 173, 174, 175,
igr2= 509, 510,
&end
#
# 12 LEU QD2 14 GLN HE21 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 215, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 177, 178, 179,
&end
#
# 12 LEU QD2 14 GLN HE22 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 214, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
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 QD1 132 VAL H 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1,2074, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=2053,2054,2055,
&end
#
# 130 LEU QD2 132 VAL HB 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,2078, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2057,2058,2059,
&end
#
# 131 SER H 132 VAL QG2 4.98
&rst
ixpk= 0, nxpk= 0, iat=2063, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=2084,2085,2086,
&end
#
# 131 SER HB2 132 VAL H 4.96
&rst
ixpk= 0, nxpk= 0, iat=2067,2074, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 132 VAL HA 132 VAL QG2 3.50
&rst
ixpk= 0, nxpk= 0, iat=2076, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2084,2085,2086,
&end
#
# 132 VAL HA 133 PHE H 3.17
&rst
ixpk= 0, nxpk= 0, iat=2076,2090, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 132 VAL HA 133 PHE HB2 4.76
&rst
ixpk= 0, nxpk= 0, iat=2076,2094, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 132 VAL HB 134 VAL QG2 5.02
&rst
ixpk= 0, nxpk= 0, iat=2078, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=2120,2121,2122,
&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
#
# 133 PHE H 134 VAL QG2 4.98
&rst
ixpk= 0, nxpk= 0, iat=2090, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=2120,2121,2122,
&end
#
# 133 PHE HB3 134 VAL HA 4.89
&rst
ixpk= 0, nxpk= 0, iat=2095,2112, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 134 VAL H 135 THR H 4.55
&rst
ixpk= 0, nxpk= 0, iat=2110,2126, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 134 VAL HA 135 THR H 3.05
&rst
ixpk= 0, nxpk= 0, iat=2112,2126, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 134 VAL HA 135 THR QG2 3.91
&rst
ixpk= 0, nxpk= 0, iat=2112, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=2132,2133,2134,
&end
#
# 134 VAL QG1 135 THR HA 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1,2128, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=2116,2117,2118,
&end
#
# 136 ALA HA 137 LEU HG 4.16
&rst
ixpk= 0, nxpk= 0, iat=2142,2157, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 136 ALA HA 138 THR HB 5.58
&rst
ixpk= 0, nxpk= 0, iat=2142,2173, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 136 ALA QB 137 LEU H 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1,2150, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2144,2145,2146,
&end
#
# 136 ALA QB 138 THR HB 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1,2173, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=2144,2145,2146,
&end
#
# 137 LEU H 137 LEU HB3 3.55
&rst
ixpk= 0, nxpk= 0, iat=2150,2155, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 137 LEU H 138 THR H 4.98
&rst
ixpk= 0, nxpk= 0, iat=2150,2169, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 137 LEU HA 137 LEU HB2 2.98
&rst
ixpk= 0, nxpk= 0, iat=2152,2154, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 138 THR H 138 THR QG2 4.49
&rst
ixpk= 0, nxpk= 0, iat=2169, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=2175,2176,2177,
&end
#
# 13 LEU H 128 LYS H 5.01
&rst
ixpk= 0, nxpk= 0, iat= 183,2005, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 13 LEU H 13 LEU HG 5.16
&rst
ixpk= 0, nxpk= 0, iat= 183, 190, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 13 LEU H 13 LEU QD1 5.16
&rst
ixpk= 0, nxpk= 0, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2= 192, 193, 194,
&end
#
# 13 LEU H 13 LEU QD2 4.58
&rst
ixpk= 0, nxpk= 0, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 196, 197, 198,
&end
#
# 13 LEU HA 13 LEU QD1 3.70
&rst
ixpk= 0, nxpk= 0, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 192, 193, 194,
&end
#
# 13 LEU HB3 13 LEU QD1 3.61
&rst
ixpk= 0, nxpk= 0, iat= 188, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 192, 193, 194,
&end
#
# 13 LEU HB3 14 GLN H 4.64
&rst
ixpk= 0, nxpk= 0, iat= 188, 202, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 13 LEU HB2 13 LEU QD1 3.49
&rst
ixpk= 0, nxpk= 0, iat= 187, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 192, 193, 194,
&end
#
# 13 LEU HG 14 GLN H 3.72
&rst
ixpk= 0, nxpk= 0, iat= 190, 202, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 13 LEU HG 32 SER H 4.83
&rst
ixpk= 0, nxpk= 0, iat= 190, 474, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 13 LEU HG 34 SER H 5.80
&rst
ixpk= 0, nxpk= 0, iat= 190, 505, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 13 LEU QD1 14 GLN QB 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr1= 192, 193, 194,
igr2= 206, 207,
&end
#
# 13 LEU QD1 15 VAL QG1 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 192, 193, 194,
igr2= 225, 226, 227,
&end
#
# 13 LEU QD1 33 PHE HA 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 192, 193, 194,
&end
#
# 13 LEU QD1 33 PHE HB3 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 192, 193, 194,
&end
#
# 13 LEU QD1 50 TRP HH2 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 192, 193, 194,
&end
#
# 13 LEU QD2 129 GLN H 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1,2027, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 196, 197, 198,
&end
#
# 13 LEU QD2 14 GLN H 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 196, 197, 198,
&end
#
# 13 LEU QD2 32 SER H 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 196, 197, 198,
&end
#
# 13 LEU QD2 33 PHE HB3 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 196, 197, 198,
&end
#
# 13 LEU QD2 50 TRP HZ2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 196, 197, 198,
&end
#
# 142 LEU QD2 143 VAL H 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1,2237, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2231,2232,2233,
&end
#
# 143 VAL HA 143 VAL QG2 3.21
&rst
ixpk= 0, nxpk= 0, iat=2239, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2=2247,2248,2249,
&end
#
# 143 VAL HA 144 PRO HD2 2.83
&rst
ixpk= 0, nxpk= 0, iat=2239,2254, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end
#
# 143 VAL QG1 144 PRO HD2 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1,2254, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1=2243,2244,2245,
&end
#
# 14 GLN H 14 GLN HG3 3.96
&rst
ixpk= 0, nxpk= 0, iat= 202, 210, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 14 GLN H 14 GLN QB 3.35
&rst
ixpk= 0, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 206, 207,
&end
#
# 14 GLN H 32 SER HB2 4.98
&rst
ixpk= 0, nxpk= 0, iat= 202, 478, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 14 GLN H 33 PHE H 5.12
&rst
ixpk= 0, nxpk= 0, iat= 202, 485, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 14 GLN H 33 PHE HA 3.80
&rst
ixpk= 0, nxpk= 0, iat= 202, 487, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 14 GLN HA 14 GLN HE21 4.87
&rst
ixpk= 0, nxpk= 0, iat= 204, 215, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 14 GLN HA 15 VAL QG2 5.80
&rst
ixpk= 0, nxpk= 0, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2= 229, 230, 231,
&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
#
# 14 GLN QB 32 SER H 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 206, 207,
&end
#
# 14 GLN QB 32 SER HB2 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 478, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 206, 207,
&end
#
# 15 VAL H 32 SER H 5.10
&rst
ixpk= 0, nxpk= 0, iat= 219, 474, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 15 VAL HA 15 VAL HB 3.31
&rst
ixpk= 0, nxpk= 0, iat= 221, 223, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 15 VAL HA 16 GLN H 3.26
&rst
ixpk= 0, nxpk= 0, iat= 221, 235, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 15 VAL HA 32 SER H 3.82
&rst
ixpk= 0, nxpk= 0, iat= 221, 474, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 15 VAL HB 16 GLN H 4.40
&rst
ixpk= 0, nxpk= 0, iat= 223, 235, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 15 VAL HB 50 TRP HH2 4.35
&rst
ixpk= 0, nxpk= 0, iat= 223, 750, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 15 VAL QG1 128 LYS HD3 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1,2016, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 225, 226, 227,
&end
#
# 15 VAL QG1 128 LYS HG3 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1,2013, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 225, 226, 227,
&end
#
# 15 VAL QG1 129 GLN HG2 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1,2034, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 225, 226, 227,
&end
#
# 15 VAL QG1 130 LEU HB2 3.49
&rst
ixpk= 0, nxpk= 0, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 225, 226, 227,
&end
#
# 15 VAL QG1 31 CYX HB3 5.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 469, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1= 225, 226, 227,
&end
#
# 15 VAL QG2 130 LEU H 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1,2044, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 229, 230, 231,
&end
#
# 15 VAL QG2 16 GLN QG 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 229, 230, 231,
igr2= 242, 243,
&end
#
# 15 VAL QG2 29 VAL HA 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 229, 230, 231,
&end
#
# 15 VAL QG2 50 TRP HH2 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 229, 230, 231,
&end
#
# 15 VAL QG2 50 TRP HZ2 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 229, 230, 231,
&end
#
# 15 VAL QG2 92 SER HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1383, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 229, 230, 231,
&end
#
# 16 GLN H 32 SER H 5.80
&rst
ixpk= 0, nxpk= 0, iat= 235, 474, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 16 GLN HA 16 GLN HB2 3.10
&rst
ixpk= 0, nxpk= 0, iat= 237, 239, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 16 GLN HA 16 GLN HE21 5.21
&rst
ixpk= 0, nxpk= 0, iat= 237, 248, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 16 GLN HA 17 GLU QG 4.03
&rst
ixpk= 0, nxpk= 0, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 259, 260,
&end
#
# 16 GLN HB2 16 GLN HE21 4.16
&rst
ixpk= 0, nxpk= 0, iat= 239, 248, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 16 GLN HB2 16 GLN HE22 4.29
&rst
ixpk= 0, nxpk= 0, iat= 239, 247, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 16 GLN HB3 16 GLN HE21 4.46
&rst
ixpk= 0, nxpk= 0, iat= 240, 248, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 16 GLN HE21 19 VAL H 5.23
&rst
ixpk= 0, nxpk= 0, iat= 248, 286, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 16 GLN HE21 19 VAL HA 3.74
&rst
ixpk= 0, nxpk= 0, iat= 248, 288, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 16 GLN HE21 19 VAL QG2 3.73
&rst
ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 296, 297, 298,
&end
#
# 16 GLN HE21 20 THR H 4.83
&rst
ixpk= 0, nxpk= 0, iat= 248, 302, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 16 GLN HE21 29 VAL QG2 5.01
&rst
ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 444, 445, 446,
&end
#
# 16 GLN HE22 18 LEU H 4.51
&rst
ixpk= 0, nxpk= 0, iat= 247, 267, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 16 GLN HE22 19 VAL HA 4.19
&rst
ixpk= 0, nxpk= 0, iat= 247, 288, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 16 GLN QG 16 GLN HE21 3.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 248, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr1= 242, 243,
&end
#
# 16 GLN QG 17 GLU H 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 252, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 242, 243,
&end
#
# 16 GLN QG 18 LEU H 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 267, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr1= 242, 243,
&end
#
# 16 GLN QG 19 VAL HA 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 288, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 242, 243,
&end
#
# 16 GLN QG 19 VAL QG2 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 242, 243,
igr2= 296, 297, 298,
&end
#
# 17 GLU H 128 LYS QE 5.80
&rst
ixpk= 0, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=2018,2019,
&end
#
# 17 GLU H 130 LEU QD1 5.30
&rst
ixpk= 0, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2=2053,2054,2055,
&end
#
# 17 GLU H 17 GLU HB2 3.38
&rst
ixpk= 0, nxpk= 0, iat= 252, 256, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 17 GLU HA 17 GLU QG 3.44
&rst
ixpk= 0, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 259, 260,
&end
#
# 17 GLU HB2 18 LEU H 3.55
&rst
ixpk= 0, nxpk= 0, iat= 256, 267, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 17 GLU QG 128 LYS QE 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 259, 260,
igr2=2018,2019,
&end
#
# 18 LEU H 131 SER HB2 5.21
&rst
ixpk= 0, nxpk= 0, iat= 267,2067, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 18 LEU H 18 LEU HB3 3.28
&rst
ixpk= 0, nxpk= 0, iat= 267, 272, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 18 LEU HA 131 SER HB2 3.62
&rst
ixpk= 0, nxpk= 0, iat= 269,2067, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 18 LEU HA 132 VAL H 5.45
&rst
ixpk= 0, nxpk= 0, iat= 269,2074, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 18 LEU HA 19 VAL H 2.99
&rst
ixpk= 0, nxpk= 0, iat= 269, 286, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 18 LEU HB2 19 VAL H 4.65
&rst
ixpk= 0, nxpk= 0, iat= 271, 286, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 18 LEU HG 19 VAL H 4.42
&rst
ixpk= 0, nxpk= 0, iat= 274, 286, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 18 LEU HG 19 VAL HA 4.41
&rst
ixpk= 0, nxpk= 0, iat= 274, 288, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 18 LEU HG 20 THR HA 5.45
&rst
ixpk= 0, nxpk= 0, iat= 274, 304, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 18 LEU HG 20 THR QG2 4.29
&rst
ixpk= 0, nxpk= 0, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 308, 309, 310,
&end
#
# 18 LEU QD1 104 GLY H 5.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1591, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 276, 277, 278,
&end
#
# 18 LEU QD1 131 SER HB3 3.27
&rst
ixpk= 0, nxpk= 0, iat= -1,2068, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 276, 277, 278,
&end
#
# 18 LEU QD1 133 PHE QE 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 276, 277, 278,
igr2=2100,2104,
&end
#
# 18 LEU QD1 134 VAL H 5.74
&rst
ixpk= 0, nxpk= 0, iat= -1,2110, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1= 276, 277, 278,
&end
#
# 18 LEU QD1 20 THR H 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 276, 277, 278,
&end
#
# 18 LEU QD1 20 THR HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 276, 277, 278,
&end
#
# 18 LEU QD2 133 PHE QE 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 280, 281, 282,
igr2=2100,2104,
&end
#
# 19 VAL H 130 LEU QD2 5.37
&rst
ixpk= 0, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2=2057,2058,2059,
&end
#
# 19 VAL H 132 VAL HA 3.82
&rst
ixpk= 0, nxpk= 0, iat= 286,2076, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 19 VAL H 133 PHE H 4.45
&rst
ixpk= 0, nxpk= 0, iat= 286,2090, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 19 VAL H 20 THR H 4.64
&rst
ixpk= 0, nxpk= 0, iat= 286, 302, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 19 VAL HA 19 VAL QG1 3.03
&rst
ixpk= 0, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 292, 293, 294,
&end
#
# 19 VAL HA 20 THR HA 4.93
&rst
ixpk= 0, nxpk= 0, iat= 288, 304, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 19 VAL HB 132 VAL QG2 3.90
&rst
ixpk= 0, nxpk= 0, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=2084,2085,2086,
&end
#
# 19 VAL HB 133 PHE H 4.58
&rst
ixpk= 0, nxpk= 0, iat= 290,2090, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 19 VAL QG2 130 LEU QD2 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 296, 297, 298,
igr2=2057,2058,2059,
&end
#
# 19 VAL QG2 20 THR H 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 296, 297, 298,
&end
#
# 19 VAL QG2 93 LEU QD2 5.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66,
igr1= 296, 297, 298,
igr2=1405,1406,1407,
&end
#
# 1 MET HA 1 MET QG 4.19
&rst
ixpk= 0, nxpk= 0, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 11, 12,
&end
#
# 20 THR HA 132 VAL HA 4.99
&rst
ixpk= 0, nxpk= 0, iat= 304,2076, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 20 THR HA 132 VAL QG1 4.58
&rst
ixpk= 0, nxpk= 0, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=2080,2081,2082,
&end
#
# 20 THR HA 134 VAL QG2 5.65
&rst
ixpk= 0, nxpk= 0, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2=2120,2121,2122,
&end
#
# 20 THR HA 20 THR QG2 2.94
&rst
ixpk= 0, nxpk= 0, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 308, 309, 310,
&end
#
# 20 THR HA 21 VAL H 2.98
&rst
ixpk= 0, nxpk= 0, iat= 304, 316, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 20 THR HB 133 PHE QD 5.17
&rst
ixpk= 0, nxpk= 0, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=2098,2106,
&end
#
# 20 THR QG2 133 PHE HB2 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1,2094, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 308, 309, 310,
&end
#
# 20 THR QG2 21 VAL H 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 308, 309, 310,
&end
#
# 21 VAL H 132 VAL HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 316,2076, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 21 VAL H 133 PHE HB3 4.12
&rst
ixpk= 0, nxpk= 0, iat= 316,2095, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 21 VAL H 134 VAL HA 3.82
&rst
ixpk= 0, nxpk= 0, iat= 316,2112, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 21 VAL H 135 THR QG2 5.05
&rst
ixpk= 0, nxpk= 0, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=2132,2133,2134,
&end
#
# 21 VAL HA 21 VAL HB 3.11
&rst
ixpk= 0, nxpk= 0, iat= 318, 320, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 21 VAL HB 27 VAL HB 3.80
&rst
ixpk= 0, nxpk= 0, iat= 320, 405, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 21 VAL HB 27 VAL QG1 3.53
&rst
ixpk= 0, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 407, 408, 409,
&end
#
# 21 VAL HB 95 ILE QG2 4.87
&rst
ixpk= 0, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1428,1429,1430,
&end
#
# 21 VAL QG1 133 PHE HB3 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1,2095, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 322, 323, 324,
&end
#
# 21 VAL QG1 23 GLU HA 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 322, 323, 324,
&end
#
# 21 VAL QG1 98 ALA HA 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1479, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 322, 323, 324,
&end
#
# 21 VAL QG1 98 ALA QB 2.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 322, 323, 324,
igr2=1481,1482,1483,
&end
#
# 21 VAL QG2 22 GLN QB 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 326, 327, 328,
igr2= 336, 337,
&end
#
# 21 VAL QG2 26 SER HB3 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 395, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 326, 327, 328,
&end
#
# 21 VAL QG2 27 VAL H 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 401, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 326, 327, 328,
&end
#
# 21 VAL QG2 95 ILE HB 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1426, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 326, 327, 328,
&end
#
# 21 VAL QG2 98 ALA H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 326, 327, 328,
&end
#
# 22 GLN H 135 THR H 4.86
&rst
ixpk= 0, nxpk= 0, iat= 332,2126, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 22 GLN H 135 THR QG2 4.01
&rst
ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=2132,2133,2134,
&end
#
# 22 GLN H 22 GLN QB 3.06
&rst
ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2= 336, 337,
&end
#
# 22 GLN H 25 LEU HB3 5.72
&rst
ixpk= 0, nxpk= 0, iat= 332, 376, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, &end
#
# 22 GLN H 25 LEU HG 4.82
&rst
ixpk= 0, nxpk= 0, iat= 332, 378, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 22 GLN H 25 LEU QD2 3.97
&rst
ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 384, 385, 386,
&end
#
# 22 GLN HA 137 LEU H 5.41
&rst
ixpk= 0, nxpk= 0, iat= 334,2150, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 22 GLN HA 22 GLN HE21 4.84
&rst
ixpk= 0, nxpk= 0, iat= 334, 345, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 22 GLN HA 23 GLU H 3.16
&rst
ixpk= 0, nxpk= 0, iat= 334, 349, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 22 GLN HE21 137 LEU HA 4.10
&rst
ixpk= 0, nxpk= 0, iat= 345,2152, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 22 GLN HG3 137 LEU HA 4.26
&rst
ixpk= 0, nxpk= 0, iat= 340,2152, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 22 GLN HG3 22 GLN HE22 4.01
&rst
ixpk= 0, nxpk= 0, iat= 340, 344, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 22 GLN HG2 25 LEU QD1 3.60
&rst
ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 380, 381, 382,
&end
#
# 22 GLN HG2 25 LEU QD2 3.76
&rst
ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 384, 385, 386,
&end
#
# 22 GLN QB 22 GLN HE21 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 345, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 336, 337,
&end
#
# 22 GLN QB 22 GLN HE22 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 344, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 336, 337,
&end
#
# 22 GLN QB 25 LEU QD1 2.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr1= 336, 337,
igr2= 380, 381, 382,
&end
#
# 23 GLU H 134 VAL HA 5.13
&rst
ixpk= 0, nxpk= 0, iat= 349,2112, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 23 GLU H 135 THR H 3.78
&rst
ixpk= 0, nxpk= 0, iat= 349,2126, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 23 GLU H 135 THR QG2 3.96
&rst
ixpk= 0, nxpk= 0, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=2132,2133,2134,
&end
#
# 23 GLU H 137 LEU HG 5.80
&rst
ixpk= 0, nxpk= 0, iat= 349,2157, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 23 GLU H 24 GLY HA3 5.73
&rst
ixpk= 0, nxpk= 0, iat= 349, 367, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end
#
# 23 GLU HA 134 VAL QG1 3.43
&rst
ixpk= 0, nxpk= 0, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=2116,2117,2118,
&end
#
# 23 GLU HA 137 LEU H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 351,2150, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 23 GLU HA 23 GLU HG3 3.71
&rst
ixpk= 0, nxpk= 0, iat= 351, 357, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 23 GLU HA 24 GLY H 3.22
&rst
ixpk= 0, nxpk= 0, iat= 351, 364, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 23 GLU HA 99 ARG H 5.64
&rst
ixpk= 0, nxpk= 0, iat= 351,1487, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 23 GLU HB3 24 GLY H 4.75
&rst
ixpk= 0, nxpk= 0, iat= 354, 364, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 23 GLU HB2 136 ALA QB 4.72
&rst
ixpk= 0, nxpk= 0, iat= 353, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2144,2145,2146,
&end
#
# 23 GLU HG3 134 VAL QG1 3.68
&rst
ixpk= 0, nxpk= 0, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=2116,2117,2118,
&end
#
# 23 GLU HG3 24 GLY HA3 5.45
&rst
ixpk= 0, nxpk= 0, iat= 357, 367, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 24 GLY H 25 LEU H 3.56
&rst
ixpk= 0, nxpk= 0, iat= 364, 371, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 24 GLY H 25 LEU QD2 4.97
&rst
ixpk= 0, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 384, 385, 386,
&end
#
# 24 GLY HA2 98 ALA H 4.79
&rst
ixpk= 0, nxpk= 0, iat= 366,1477, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 25 LEU H 25 LEU HB3 3.47
&rst
ixpk= 0, nxpk= 0, iat= 371, 376, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 25 LEU H 25 LEU HG 4.31
&rst
ixpk= 0, nxpk= 0, iat= 371, 378, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 25 LEU H 26 SER HA 5.59
&rst
ixpk= 0, nxpk= 0, iat= 371, 392, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end
#
# 25 LEU H 97 ASP HA 4.80
&rst
ixpk= 0, nxpk= 0, iat= 371,1467, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 25 LEU H 98 ALA H 4.36
&rst
ixpk= 0, nxpk= 0, iat= 371,1477, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 25 LEU HB2 25 LEU QD1 3.22
&rst
ixpk= 0, nxpk= 0, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 380, 381, 382,
&end
#
# 25 LEU QD1 26 SER HA 5.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1= 380, 381, 382,
&end
#
# 26 SER H 26 SER HB3 3.80
&rst
ixpk= 0, nxpk= 0, iat= 390, 395, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 26 SER HA 27 VAL H 3.07
&rst
ixpk= 0, nxpk= 0, iat= 392, 401, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 26 SER HA 95 ILE QG2 4.52
&rst
ixpk= 0, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1428,1429,1430,
&end
#
# 26 SER HA 96 ARG HG2 5.08
&rst
ixpk= 0, nxpk= 0, iat= 392,1448, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 26 SER HA 96 ARG QB 4.71
&rst
ixpk= 0, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2=1445,1446,
&end
#
# 26 SER HB2 27 VAL QG1 4.80
&rst
ixpk= 0, nxpk= 0, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 407, 408, 409,
&end
#
# 26 SER HB2 95 ILE QG2 5.39
&rst
ixpk= 0, nxpk= 0, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2=1428,1429,1430,
&end
#
# 26 SER HB2 96 ARG HA 3.65
&rst
ixpk= 0, nxpk= 0, iat= 394,1443, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 26 SER HB2 96 ARG QB 5.05
&rst
ixpk= 0, nxpk= 0, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1445,1446,
&end
#
# 26 SER HB3 27 VAL H 3.65
&rst
ixpk= 0, nxpk= 0, iat= 395, 401, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 27 VAL H 95 ILE QD1 5.20
&rst
ixpk= 0, nxpk= 0, iat= 401, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2=1435,1436,1437,
&end
#
# 27 VAL H 98 ALA QB 5.65
&rst
ixpk= 0, nxpk= 0, iat= 401, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2=1481,1482,1483,
&end
#
# 27 VAL HA 27 VAL QG1 3.55
&rst
ixpk= 0, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2= 407, 408, 409,
&end
#
# 27 VAL QG1 130 LEU QD2 5.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,
igr1= 407, 408, 409,
igr2=2057,2058,2059,
&end
#
# 27 VAL QG1 94 SER HA 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1413, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 407, 408, 409,
&end
#
# 27 VAL QG1 95 ILE HB 3.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1426, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1= 407, 408, 409,
&end
#
# 27 VAL QG2 29 VAL H 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 411, 412, 413,
&end
#
# 28 HIS HA 29 VAL HA 4.75
&rst
ixpk= 0, nxpk= 0, iat= 419, 436, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 28 HIS HA 94 SER HA 4.14
&rst
ixpk= 0, nxpk= 0, iat= 419,1413, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 28 HIS HE1 30 PRO HB3 5.79
&rst
ixpk= 0, nxpk= 0, iat= 426, 458, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end
#
# 28 HIS HE1 92 SER HB2 5.06
&rst
ixpk= 0, nxpk= 0, iat= 426,1385, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 28 HIS QB 94 SER HA 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1413, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 421, 422,
&end
#
# 28 HIS QB 94 SER QB 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 421, 422,
igr2=1415,1416,
&end
#
# 29 VAL H 29 VAL HB 3.54
&rst
ixpk= 0, nxpk= 0, iat= 434, 438, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 29 VAL H 29 VAL QG2 3.30
&rst
ixpk= 0, nxpk= 0, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 444, 445, 446,
&end
#
# 29 VAL H 30 PRO HD2 5.28
&rst
ixpk= 0, nxpk= 0, iat= 434, 451, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 29 VAL H 93 LEU QD2 5.47
&rst
ixpk= 0, nxpk= 0, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2=1405,1406,1407,
&end
#
# 29 VAL HB 93 LEU H 3.84
&rst
ixpk= 0, nxpk= 0, iat= 438,1392, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 29 VAL HB 93 LEU HB2 5.20
&rst
ixpk= 0, nxpk= 0, iat= 438,1396, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 29 VAL HB 93 LEU QD2 4.15
&rst
ixpk= 0, nxpk= 0, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=1405,1406,1407,
&end
#
# 29 VAL QG1 31 CYX H 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 440, 441, 442,
&end
#
# 29 VAL QG2 30 PRO HD3 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 444, 445, 446,
&end
#
# 29 VAL QG2 94 SER H 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1411, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1= 444, 445, 446,
&end
#
# 29 VAL QG2 94 SER HA 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1413, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 444, 445, 446,
&end
#
# 30 PRO HB2 31 CYX HA 5.19
&rst
ixpk= 0, nxpk= 0, iat= 457, 466, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 31 CYX H 31 CYX HB2 4.15
&rst
ixpk= 0, nxpk= 0, iat= 464, 468, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 31 CYX H 92 SER HB3 4.56
&rst
ixpk= 0, nxpk= 0, iat= 464,1386, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 31 CYX H 92 SER HB2 4.74
&rst
ixpk= 0, nxpk= 0, iat= 464,1385, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 31 CYX HB3 32 SER H 4.56
&rst
ixpk= 0, nxpk= 0, iat= 469, 474, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 31 CYX HB2 32 SER H 4.35
&rst
ixpk= 0, nxpk= 0, iat= 468, 474, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 32 SER H 32 SER HB2 4.06
&rst
ixpk= 0, nxpk= 0, iat= 474, 478, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 32 SER H 33 PHE HA 5.43
&rst
ixpk= 0, nxpk= 0, iat= 474, 487, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 32 SER H 91 CYX H 4.73
&rst
ixpk= 0, nxpk= 0, iat= 474,1371, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 32 SER HB2 90 ASP HA 5.40
&rst
ixpk= 0, nxpk= 0, iat= 478,1361, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 32 SER HB3 90 ASP HA 5.40
&rst
ixpk= 0, nxpk= 0, iat= 479,1361, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 33 PHE H 33 PHE HB3 4.49
&rst
ixpk= 0, nxpk= 0, iat= 485, 490, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 33 PHE H 33 PHE QD 3.72
&rst
ixpk= 0, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 493, 501,
&end
#
# 33 PHE H 90 ASP HA 4.25
&rst
ixpk= 0, nxpk= 0, iat= 485,1361, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 33 PHE HZ 90 ASP H 5.05
&rst
ixpk= 0, nxpk= 0, iat= 497,1359, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 33 PHE QD 33 PHE HZ 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 497, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 493, 501,
&end
#
# 33 PHE QD 90 ASP H 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1359, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 493, 501,
&end
#
# 33 PHE QD 92 SER H 5.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1381, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 493, 501,
&end
#
# 33 PHE QE 110 LEU QD2 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 495, 499,
igr2=1707,1708,1709,
&end
#
# 33 PHE QE 91 CYX H 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 495, 499,
&end
#
# 35 TYR HA 36 PRO HD2 3.83
&rst
ixpk= 0, nxpk= 0, iat= 518, 538, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 35 TYR QD 110 LEU QD1 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 524, 533,
igr2=1703,1704,1705,
&end
#
# 35 TYR QE 110 LEU QD1 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 526, 531,
igr2=1703,1704,1705,
&end
#
# 35 TYR QE 40 TRP HD1 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 595, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 526, 531,
&end
#
# 36 PRO HB2 38 ASP HB2 4.86
&rst
ixpk= 0, nxpk= 0, iat= 544, 572, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 36 PRO HG2 38 ASP H 5.25
&rst
ixpk= 0, nxpk= 0, iat= 541, 568, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 37 GLN H 37 GLN HB2 4.03
&rst
ixpk= 0, nxpk= 0, iat= 551, 555, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 37 GLN H 37 GLN HG3 5.01
&rst
ixpk= 0, nxpk= 0, iat= 551, 559, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 37 GLN H 40 TRP HZ2 4.57
&rst
ixpk= 0, nxpk= 0, iat= 551, 600, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 37 GLN HA 40 TRP HD1 4.74
&rst
ixpk= 0, nxpk= 0, iat= 553, 595, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 37 GLN HA 40 TRP HH2 4.69
&rst
ixpk= 0, nxpk= 0, iat= 553, 602, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 37 GLN HB3 40 TRP HH2 4.55
&rst
ixpk= 0, nxpk= 0, iat= 556, 602, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 37 GLN HB3 40 TRP HZ2 4.09
&rst
ixpk= 0, nxpk= 0, iat= 556, 600, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 37 GLN HG2 38 ASP H 4.78
&rst
ixpk= 0, nxpk= 0, iat= 558, 568, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 38 ASP H 38 ASP HB2 3.41
&rst
ixpk= 0, nxpk= 0, iat= 568, 572, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 38 ASP HA 40 TRP H 4.12
&rst
ixpk= 0, nxpk= 0, iat= 570, 587, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 38 ASP HB3 115 MET QE 4.65
&rst
ixpk= 0, nxpk= 0, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1781,1782,1783,
&end
#
# 38 ASP HB3 39 GLY H 4.54
&rst
ixpk= 0, nxpk= 0, iat= 573, 580, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 39 GLY HA3 115 MET HA 4.84
&rst
ixpk= 0, nxpk= 0, iat= 583,1772, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 40 TRP H 114 SER H 5.41
&rst
ixpk= 0, nxpk= 0, iat= 587,1759, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 40 TRP H 41 THR H 4.74
&rst
ixpk= 0, nxpk= 0, iat= 587, 611, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 40 TRP H 41 THR QG2 5.15
&rst
ixpk= 0, nxpk= 0, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2= 617, 618, 619,
&end
#
# 40 TRP HA 41 THR QG2 3.98
&rst
ixpk= 0, nxpk= 0, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 617, 618, 619,
&end
#
# 40 TRP HD1 115 MET QE 3.49
&rst
ixpk= 0, nxpk= 0, iat= 595, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1781,1782,1783,
&end
#
# 40 TRP HE3 112 ARG HE 4.90
&rst
ixpk= 0, nxpk= 0, iat= 606,1741, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 40 TRP HE3 41 THR H 3.84
&rst
ixpk= 0, nxpk= 0, iat= 606, 611, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 40 TRP HE3 41 THR QG2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 606, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 617, 618, 619,
&end
#
# 40 TRP HE3 44 ASP HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 606, 653, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 40 TRP QB 115 MET QE 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 591, 592,
igr2=1781,1782,1783,
&end
#
# 40 TRP QB 40 TRP HD1 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 595, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 591, 592,
&end
#
# 40 TRP QB 40 TRP HE3 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 606, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 591, 592,
&end
#
# 40 TRP QB 41 THR H 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 591, 592,
&end
#
# 40 TRP QB 41 THR QG2 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 591, 592,
igr2= 617, 618, 619,
&end
#
# 40 TRP QB 44 ASP HB3 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 653, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 591, 592,
&end
#
# 41 THR H 44 ASP H 4.04
&rst
ixpk= 0, nxpk= 0, iat= 611, 648, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 41 THR HA 41 THR HB 3.08
&rst
ixpk= 0, nxpk= 0, iat= 613, 615, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 41 THR HA 42 ASP HB2 5.35
&rst
ixpk= 0, nxpk= 0, iat= 613, 629, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 41 THR QG2 44 ASP H 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 648, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 617, 618, 619,
&end
#
# 42 ASP H 44 ASP H 4.80
&rst
ixpk= 0, nxpk= 0, iat= 625, 648, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 42 ASP HB2 43 SER H 4.80
&rst
ixpk= 0, nxpk= 0, iat= 629, 637, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 44 ASP H 87 TRP HZ3 5.22
&rst
ixpk= 0, nxpk= 0, iat= 648,1327, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 44 ASP HA 45 PRO HD3 3.51
&rst
ixpk= 0, nxpk= 0, iat= 650, 662, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 44 ASP HA 45 PRO HD2 3.54
&rst
ixpk= 0, nxpk= 0, iat= 650, 661, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 44 ASP HA 45 PRO HG2 4.46
&rst
ixpk= 0, nxpk= 0, iat= 650, 664, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 45 PRO HD2 47 HIS HE1 4.80
&rst
ixpk= 0, nxpk= 0, iat= 661, 699, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 45 PRO HG3 47 HIS HE1 4.08
&rst
ixpk= 0, nxpk= 0, iat= 665, 699, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 45 PRO HG3 86 ILE QD1 5.23
&rst
ixpk= 0, nxpk= 0, iat= 665, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2=1304,1305,1306,
&end
#
# 46 VAL QG2 47 HIS H 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 684, 685, 686,
&end
#
# 47 HIS HD2 67 ASN HA 4.79
&rst
ixpk= 0, nxpk= 0, iat= 703,1000, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 48 GLY H 111 GLU H 5.53
&rst
ixpk= 0, nxpk= 0, iat= 707,1713, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 48 GLY H 49 TYR H 5.04
&rst
ixpk= 0, nxpk= 0, iat= 707, 714, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 49 TYR H 109 ARG H 4.37
&rst
ixpk= 0, nxpk= 0, iat= 714,1670, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 49 TYR H 50 TRP H 4.64
&rst
ixpk= 0, nxpk= 0, iat= 714, 735, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 49 TYR QD 62 PRO HA 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 940, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 722, 731,
&end
#
# 49 TYR QE 110 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= 724, 729,
igr2=1703,1704,1705,
&end
#
# 49 TYR QE 65 THR QG2 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 724, 729,
igr2= 976, 977, 978,
&end
#
# 4 ASP HA 5 ARG HA 4.76
&rst
ixpk= 0, nxpk= 0, iat= 45, 57, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 50 TRP H 50 TRP HB3 3.87
&rst
ixpk= 0, nxpk= 0, iat= 735, 740, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 50 TRP H 50 TRP HD1 4.45
&rst
ixpk= 0, nxpk= 0, iat= 735, 743, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 50 TRP H 62 PRO HB3 5.27
&rst
ixpk= 0, nxpk= 0, iat= 735, 938, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 50 TRP H 64 ALA QB 4.18
&rst
ixpk= 0, nxpk= 0, iat= 735, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 964, 965, 966,
&end
#
# 50 TRP HA 50 TRP HD1 4.66
&rst
ixpk= 0, nxpk= 0, iat= 737, 743, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 50 TRP HB3 50 TRP HD1 4.05
&rst
ixpk= 0, nxpk= 0, iat= 740, 743, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 50 TRP HB3 50 TRP HE3 4.36
&rst
ixpk= 0, nxpk= 0, iat= 740, 754, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 50 TRP HD1 64 ALA QB 3.34
&rst
ixpk= 0, nxpk= 0, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 964, 965, 966,
&end
#
# 50 TRP HE1 130 LEU QD2 5.27
&rst
ixpk= 0, nxpk= 0, iat= 745, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2=2057,2058,2059,
&end
#
# 50 TRP HE1 93 LEU QD1 4.24
&rst
ixpk= 0, nxpk= 0, iat= 745, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=1401,1402,1403,
&end
#
# 50 TRP HE3 63 VAL QG2 4.77
&rst
ixpk= 0, nxpk= 0, iat= 754, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2= 954, 955, 956,
&end
#
# 50 TRP HE3 93 LEU QD1 5.80
&rst
ixpk= 0, nxpk= 0, iat= 754, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=1401,1402,1403,
&end
#
# 50 TRP HH2 130 LEU H 4.47
&rst
ixpk= 0, nxpk= 0, iat= 750,2044, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 50 TRP HZ3 107 PHE HA 3.90
&rst
ixpk= 0, nxpk= 0, iat= 752,1632, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 50 TRP HZ3 130 LEU HB2 4.58
&rst
ixpk= 0, nxpk= 0, iat= 752,2048, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 50 TRP HZ3 130 LEU QD2 3.96
&rst
ixpk= 0, nxpk= 0, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=2057,2058,2059,
&end
#
# 51 PHE H 51 PHE HB3 4.20
&rst
ixpk= 0, nxpk= 0, iat= 759, 764, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 51 PHE H 51 PHE HB2 3.95
&rst
ixpk= 0, nxpk= 0, iat= 759, 763, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 51 PHE H 51 PHE QD 5.26
&rst
ixpk= 0, nxpk= 0, iat= 759, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2= 767, 775,
&end
#
# 51 PHE H 62 PRO HA 5.62
&rst
ixpk= 0, nxpk= 0, iat= 759, 940, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 51 PHE HB3 63 VAL H 5.61
&rst
ixpk= 0, nxpk= 0, iat= 764, 944, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end
#
# 51 PHE HZ 57 PRO HB3 4.24
&rst
ixpk= 0, nxpk= 0, iat= 771, 864, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 51 PHE HZ 57 PRO HB2 4.61
&rst
ixpk= 0, nxpk= 0, iat= 771, 863, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 51 PHE QD 57 PRO HB3 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 864, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 767, 775,
&end
#
# 52 ARG H 106 TYR QD 4.74
&rst
ixpk= 0, nxpk= 0, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1617,1626,
&end
#
# 52 ARG H 52 ARG HB2 3.93
&rst
ixpk= 0, nxpk= 0, iat= 779, 783, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 52 ARG H 53 ALA H 5.01
&rst
ixpk= 0, nxpk= 0, iat= 779, 803, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 52 ARG H 62 PRO HA 5.69
&rst
ixpk= 0, nxpk= 0, iat= 779, 940, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end
#
# 52 ARG H 63 VAL QG1 4.17
&rst
ixpk= 0, nxpk= 0, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 950, 951, 952,
&end
#
# 52 ARG HA 106 TYR HA 3.91
&rst
ixpk= 0, nxpk= 0, iat= 781,1611, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 52 ARG HG3 106 TYR QE 4.21
&rst
ixpk= 0, nxpk= 0, iat= 787, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1619,1624,
&end
#
# 53 ALA H 106 TYR H 4.57
&rst
ixpk= 0, nxpk= 0, iat= 803,1609, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 53 ALA H 107 PHE H 5.30
&rst
ixpk= 0, nxpk= 0, iat= 803,1630, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 53 ALA H 107 PHE HB3 5.80
&rst
ixpk= 0, nxpk= 0, iat= 803,1635, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 53 ALA HA 107 PHE H 4.89
&rst
ixpk= 0, nxpk= 0, iat= 805,1630, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 53 ALA QB 131 SER HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2065, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 807, 808, 809,
&end
#
# 55 ASP H 56 ARG H 4.79
&rst
ixpk= 0, nxpk= 0, iat= 820, 832, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 56 ARG H 56 ARG QG 4.54
&rst
ixpk= 0, nxpk= 0, iat= 832, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 839, 840,
&end
#
# 58 TYR HA 59 GLN QG 5.36
&rst
ixpk= 0, nxpk= 0, iat= 872, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 898, 899,
&end
#
# 58 TYR HB2 59 GLN QG 3.82
&rst
ixpk= 0, nxpk= 0, iat= 874, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 898, 899,
&end
#
# 58 TYR QD 59 GLN QG 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 878, 887,
igr2= 898, 899,
&end
#
# 59 GLN QG 59 GLN HE21 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 904, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1= 898, 899,
&end
#
# 59 GLN QG 59 GLN HE22 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 903, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1= 898, 899,
&end
#
# 60 ASP HA 73 GLN HE22 4.54
&rst
ixpk= 0, nxpk= 0, iat= 910,1105, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 60 ASP HB2 73 GLN HE22 5.08
&rst
ixpk= 0, nxpk= 0, iat= 912,1105, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 61 ALA H 73 GLN HE21 3.93
&rst
ixpk= 0, nxpk= 0, iat= 920,1106, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 61 ALA QB 62 PRO HD3 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 932, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 924, 925, 926,
&end
#
# 61 ALA QB 71 GLU H 5.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1062, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr1= 924, 925, 926,
&end
#
# 61 ALA QB 71 GLU HG2 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1069, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 924, 925, 926,
&end
#
# 61 ALA QB 72 VAL HA 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1079, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1= 924, 925, 926,
&end
#
# 61 ALA QB 72 VAL HB 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1081, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 924, 925, 926,
&end
#
# 61 ALA QB 73 GLN HG2 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1,1100, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1= 924, 925, 926,
&end
#
# 62 PRO HA 64 ALA H 4.16
&rst
ixpk= 0, nxpk= 0, iat= 940, 960, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &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 H 76 THR QG2 5.07
&rst
ixpk= 0, nxpk= 0, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=1141,1142,1143,
&end
#
# 63 VAL HA 73 GLN H 3.86
&rst
ixpk= 0, nxpk= 0, iat= 946,1093, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 63 VAL HA 73 GLN HG3 4.51
&rst
ixpk= 0, nxpk= 0, iat= 946,1101, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 63 VAL HA 73 GLN HG2 3.66
&rst
ixpk= 0, nxpk= 0, iat= 946,1100, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 63 VAL HB 106 TYR QE 4.55
&rst
ixpk= 0, nxpk= 0, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2=1619,1624,
&end
#
# 63 VAL HB 76 THR QG2 3.34
&rst
ixpk= 0, nxpk= 0, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1141,1142,1143,
&end
#
# 63 VAL QG1 106 TYR QD 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 950, 951, 952,
igr2=1617,1626,
&end
#
# 63 VAL QG1 106 TYR QE 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 950, 951, 952,
igr2=1619,1624,
&end
#
# 63 VAL QG1 80 PHE HB2 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1,1201, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 950, 951, 952,
&end
#
# 63 VAL QG2 106 TYR QE 3.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 954, 955, 956,
igr2=1619,1624,
&end
#
# 63 VAL QG2 64 ALA H 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 960, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 954, 955, 956,
&end
#
# 63 VAL QG2 76 THR QG2 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 954, 955, 956,
igr2=1141,1142,1143,
&end
#
# 63 VAL QG2 80 PHE QD 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 954, 955, 956,
igr2=1205,1213,
&end
#
# 63 VAL QG2 93 LEU QD1 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 954, 955, 956,
igr2=1401,1402,1403,
&end
#
# 64 ALA H 65 THR QG2 5.70
&rst
ixpk= 0, nxpk= 0, iat= 960, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr2= 976, 977, 978,
&end
#
# 64 ALA H 82 LEU QD1 5.80
&rst
ixpk= 0, nxpk= 0, iat= 960, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=1243,1244,1245,
&end
#
# 64 ALA H 93 LEU QD1 5.14
&rst
ixpk= 0, nxpk= 0, iat= 960, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1401,1402,1403,
&end
#
# 64 ALA HA 65 THR QG2 4.36
&rst
ixpk= 0, nxpk= 0, iat= 962, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 976, 977, 978,
&end
#
# 64 ALA HA 80 PHE QD 5.55
&rst
ixpk= 0, nxpk= 0, iat= 962, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2=1205,1213,
&end
#
# 65 THR H 72 VAL HB 4.88
&rst
ixpk= 0, nxpk= 0, iat= 970,1081, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 65 THR H 72 VAL QG2 4.85
&rst
ixpk= 0, nxpk= 0, iat= 970, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=1087,1088,1089,
&end
#
# 65 THR H 80 PHE HB3 5.80
&rst
ixpk= 0, nxpk= 0, iat= 970,1202, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 65 THR QG2 66 ASN H 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 984, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 976, 977, 978,
&end
#
# 65 THR QG2 67 ASN H 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 998, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1= 976, 977, 978,
&end
#
# 65 THR QG2 67 ASN HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1002, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 976, 977, 978,
&end
#
# 65 THR QG2 68 PRO HA 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1= 976, 977, 978,
&end
#
# 65 THR QG2 69 ASP H 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1026, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 976, 977, 978,
&end
#
# 65 THR QG2 70 ARG HA 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1040, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 976, 977, 978,
&end
#
# 65 THR QG2 71 GLU H 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1062, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 976, 977, 978,
&end
#
# 66 ASN HB3 67 ASN H 5.16
&rst
ixpk= 0, nxpk= 0, iat= 989, 998, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 67 ASN H 67 ASN HB2 4.13
&rst
ixpk= 0, nxpk= 0, iat= 998,1002, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 67 ASN H 67 ASN HD22 5.28
&rst
ixpk= 0, nxpk= 0, iat= 998,1007, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 67 ASN HA 67 ASN HD21 4.68
&rst
ixpk= 0, nxpk= 0, iat=1000,1008, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 67 ASN HA 68 PRO HG2 4.56
&rst
ixpk= 0, nxpk= 0, iat=1000,1016, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 67 ASN HA 68 PRO HG3 4.69
&rst
ixpk= 0, nxpk= 0, iat=1000,1017, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 67 ASN HD21 70 ARG HB2 5.41
&rst
ixpk= 0, nxpk= 0, iat=1008,1042, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 68 PRO HA 70 ARG H 5.71
&rst
ixpk= 0, nxpk= 0, iat=1022,1038, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end
#
# 68 PRO HB2 69 ASP H 4.31
&rst
ixpk= 0, nxpk= 0, iat=1019,1026, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 68 PRO HB3 69 ASP H 4.91
&rst
ixpk= 0, nxpk= 0, iat=1020,1026, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 68 PRO HD2 69 ASP H 3.95
&rst
ixpk= 0, nxpk= 0, iat=1013,1026, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 68 PRO HD3 69 ASP H 4.29
&rst
ixpk= 0, nxpk= 0, iat=1014,1026, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 68 PRO HG2 69 ASP H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1016,1026, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 69 ASP H 69 ASP HB3 3.35
&rst
ixpk= 0, nxpk= 0, iat=1026,1031, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 69 ASP H 70 ARG H 3.13
&rst
ixpk= 0, nxpk= 0, iat=1026,1038, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 69 ASP H 70 ARG HB3 5.39
&rst
ixpk= 0, nxpk= 0, iat=1026,1043, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 69 ASP H 70 ARG HB2 4.97
&rst
ixpk= 0, nxpk= 0, iat=1026,1042, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 69 ASP HB2 70 ARG H 3.85
&rst
ixpk= 0, nxpk= 0, iat=1030,1038, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 6 GLN HA 6 GLN HB2 3.18
&rst
ixpk= 0, nxpk= 0, iat= 81, 83, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 6 GLN HA 6 GLN HE21 4.76
&rst
ixpk= 0, nxpk= 0, iat= 81, 92, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 6 GLN HA 9 ASP H 5.69
&rst
ixpk= 0, nxpk= 0, iat= 81, 124, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end
#
# 6 GLN HA 9 ASP HB2 4.94
&rst
ixpk= 0, nxpk= 0, iat= 81, 128, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 6 GLN HB2 7 TYR H 4.65
&rst
ixpk= 0, nxpk= 0, iat= 83, 96, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 6 GLN HB3 6 GLN HE22 4.36
&rst
ixpk= 0, nxpk= 0, iat= 84, 91, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 6 GLN HG3 124 ASN HD21 4.43
&rst
ixpk= 0, nxpk= 0, iat= 87,1944, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 70 ARG H 70 ARG HD2 5.25
&rst
ixpk= 0, nxpk= 0, iat=1038,1048, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 70 ARG H 70 ARG HG2 5.04
&rst
ixpk= 0, nxpk= 0, iat=1038,1045, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 70 ARG HA 70 ARG HD3 4.10
&rst
ixpk= 0, nxpk= 0, iat=1040,1049, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 70 ARG HA 71 GLU HA 4.90
&rst
ixpk= 0, nxpk= 0, iat=1040,1064, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 70 ARG HB3 70 ARG HD3 4.34
&rst
ixpk= 0, nxpk= 0, iat=1043,1049, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 70 ARG HB2 70 ARG HD3 4.37
&rst
ixpk= 0, nxpk= 0, iat=1042,1049, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 70 ARG HD3 71 GLU H 3.74
&rst
ixpk= 0, nxpk= 0, iat=1049,1062, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 70 ARG HD2 71 GLU H 3.87
&rst
ixpk= 0, nxpk= 0, iat=1048,1062, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 70 ARG HD2 71 GLU HA 5.46
&rst
ixpk= 0, nxpk= 0, iat=1048,1064, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 70 ARG HG2 71 GLU H 4.42
&rst
ixpk= 0, nxpk= 0, iat=1045,1062, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 71 GLU H 71 GLU HG2 3.75
&rst
ixpk= 0, nxpk= 0, iat=1062,1069, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 71 GLU HA 71 GLU HG2 4.05
&rst
ixpk= 0, nxpk= 0, iat=1064,1069, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 71 GLU HA 72 VAL H 2.90
&rst
ixpk= 0, nxpk= 0, iat=1064,1077, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 72 VAL HA 73 GLN H 3.42
&rst
ixpk= 0, nxpk= 0, iat=1079,1093, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 72 VAL HB 73 GLN H 3.45
&rst
ixpk= 0, nxpk= 0, iat=1081,1093, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 72 VAL QG2 73 GLN HA 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1095, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1087,1088,1089,
&end
#
# 72 VAL QG2 74 ALA HA 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1112, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1087,1088,1089,
&end
#
# 72 VAL QG2 77 GLN HE22 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1161, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=1087,1088,1089,
&end
#
# 72 VAL QG2 78 GLY HA3 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1169, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1=1087,1088,1089,
&end
#
# 73 GLN H 73 GLN HB2 3.67
&rst
ixpk= 0, nxpk= 0, iat=1093,1097, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 73 GLN H 73 GLN HE22 5.65
&rst
ixpk= 0, nxpk= 0, iat=1093,1105, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, &end
#
# 73 GLN H 73 GLN HG3 4.13
&rst
ixpk= 0, nxpk= 0, iat=1093,1101, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 73 GLN H 76 THR QG2 4.64
&rst
ixpk= 0, nxpk= 0, iat=1093, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1141,1142,1143,
&end
#
# 73 GLN HA 74 ALA QB 4.36
&rst
ixpk= 0, nxpk= 0, iat=1095, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=1114,1115,1116,
&end
#
# 73 GLN HA 75 GLU H 4.21
&rst
ixpk= 0, nxpk= 0, iat=1095,1120, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 73 GLN HB3 76 THR H 3.84
&rst
ixpk= 0, nxpk= 0, iat=1098,1135, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 73 GLN HG2 73 GLN HE21 3.57
&rst
ixpk= 0, nxpk= 0, iat=1100,1106, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 73 GLN HG2 73 GLN HE22 3.95
&rst
ixpk= 0, nxpk= 0, iat=1100,1105, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 73 GLN HG2 74 ALA H 5.27
&rst
ixpk= 0, nxpk= 0, iat=1100,1110, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 75 GLU H 75 GLU QG 3.48
&rst
ixpk= 0, nxpk= 0, iat=1120, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2=1127,1128,
&end
#
# 75 GLU H 76 THR QG2 4.64
&rst
ixpk= 0, nxpk= 0, iat=1120, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1141,1142,1143,
&end
#
# 75 GLU H 77 GLN H 4.44
&rst
ixpk= 0, nxpk= 0, iat=1120,1149, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 75 GLU HA 75 GLU QB 2.90
&rst
ixpk= 0, nxpk= 0, iat=1122, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2=1124,1125,
&end
#
# 75 GLU HA 75 GLU QG 3.68
&rst
ixpk= 0, nxpk= 0, iat=1122, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1127,1128,
&end
#
# 75 GLU HA 76 THR H 3.74
&rst
ixpk= 0, nxpk= 0, iat=1122,1135, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 75 GLU HA 76 THR QG2 4.81
&rst
ixpk= 0, nxpk= 0, iat=1122, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=1141,1142,1143,
&end
#
# 75 GLU QG 101 ARG QD 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=1127,1128,
igr2=1543,1544,
&end
#
# 75 GLU QG 76 THR HA 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1,1137, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=1127,1128,
&end
#
# 76 THR H 77 GLN H 3.03
&rst
ixpk= 0, nxpk= 0, iat=1135,1149, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 76 THR H 77 GLN QG 5.12
&rst
ixpk= 0, nxpk= 0, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=1156,1157,
&end
#
# 76 THR H 79 ARG H 5.77
&rst
ixpk= 0, nxpk= 0, iat=1135,1173, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end
#
# 76 THR HA 79 ARG H 3.99
&rst
ixpk= 0, nxpk= 0, iat=1137,1173, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 76 THR HA 80 PHE HB2 4.42
&rst
ixpk= 0, nxpk= 0, iat=1137,1201, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 76 THR HB 80 PHE QE 4.46
&rst
ixpk= 0, nxpk= 0, iat=1139, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1207,1211,
&end
#
# 76 THR QG2 77 GLN H 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1149, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=1141,1142,1143,
&end
#
# 76 THR QG2 79 ARG HH22 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1193, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1141,1142,1143,
&end
#
# 76 THR QG2 80 PHE QE 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1141,1142,1143,
igr2=1207,1211,
&end
#
# 77 GLN H 77 GLN QG 3.86
&rst
ixpk= 0, nxpk= 0, iat=1149, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2=1156,1157,
&end
#
# 77 GLN HA 77 GLN QB 2.97
&rst
ixpk= 0, nxpk= 0, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr2=1153,1154,
&end
#
# 77 GLN HA 77 GLN QG 3.47
&rst
ixpk= 0, nxpk= 0, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=1156,1157,
&end
#
# 78 GLY HA2 79 ARG HA 5.62
&rst
ixpk= 0, nxpk= 0, iat=1168,1175, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 79 ARG H 79 ARG HE 5.52
&rst
ixpk= 0, nxpk= 0, iat=1173,1186, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 79 ARG HA 79 ARG HG2 4.10
&rst
ixpk= 0, nxpk= 0, iat=1175,1180, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 79 ARG HA 96 ARG H 4.03
&rst
ixpk= 0, nxpk= 0, iat=1175,1441, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 79 ARG HA 97 ASP HB2 5.21
&rst
ixpk= 0, nxpk= 0, iat=1175,1469, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 79 ARG HD3 97 ASP HB3 4.38
&rst
ixpk= 0, nxpk= 0, iat=1184,1470, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 79 ARG HG2 80 PHE H 5.05
&rst
ixpk= 0, nxpk= 0, iat=1180,1197, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 79 ARG HG2 97 ASP HB3 4.68
&rst
ixpk= 0, nxpk= 0, iat=1180,1470, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 79 ARG HH22 80 PHE QE 4.56
&rst
ixpk= 0, nxpk= 0, iat=1193, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1207,1211,
&end
#
# 7 TYR HA 7 TYR QD 3.34
&rst
ixpk= 0, nxpk= 0, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 104, 113,
&end
#
# 7 TYR HA 7 TYR QE 5.54
&rst
ixpk= 0, nxpk= 0, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2= 106, 111,
&end
#
# 7 TYR QD 125 TYR H 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1,1948, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 104, 113,
&end
#
# 7 TYR QD 125 TYR HA 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1,1950, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 104, 113,
&end
#
# 7 TYR QD 125 TYR HB2 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1,1952, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1= 104, 113,
&end
#
# 7 TYR QE 123 LEU HG 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1,1922, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 106, 111,
&end
#
# 7 TYR QE 125 TYR HB3 3.31
&rst
ixpk= 0, nxpk= 0, iat= -1,1953, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1= 106, 111,
&end
#
# 7 TYR QE 8 GLY H 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 106, 111,
&end
#
# 80 PHE H 80 PHE HB2 3.74
&rst
ixpk= 0, nxpk= 0, iat=1197,1201, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 80 PHE H 80 PHE QE 5.08
&rst
ixpk= 0, nxpk= 0, iat=1197, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1207,1211,
&end
#
# 80 PHE HA 81 GLN H 3.13
&rst
ixpk= 0, nxpk= 0, iat=1199,1217, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 80 PHE HA 95 ILE H 5.80
&rst
ixpk= 0, nxpk= 0, iat=1199,1422, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 80 PHE HA 95 ILE HA 3.70
&rst
ixpk= 0, nxpk= 0, iat=1199,1424, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 80 PHE HA 95 ILE QD1 5.09
&rst
ixpk= 0, nxpk= 0, iat=1199, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=1435,1436,1437,
&end
#
# 80 PHE HA 95 ILE QG2 4.64
&rst
ixpk= 0, nxpk= 0, iat=1199, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1428,1429,1430,
&end
#
# 80 PHE QD 96 ARG H 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1441, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1205,1213,
&end
#
# 80 PHE QE 106 TYR HH 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1622, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=1207,1211,
&end
#
# 81 GLN H 81 GLN HB3 3.83
&rst
ixpk= 0, nxpk= 0, iat=1217,1222, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 81 GLN H 81 GLN HE21 5.06
&rst
ixpk= 0, nxpk= 0, iat=1217,1230, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 81 GLN H 96 ARG QD 4.85
&rst
ixpk= 0, nxpk= 0, iat=1217, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1451,1452,
&end
#
# 81 GLN HB3 82 LEU H 6.00
&rst
ixpk= 0, nxpk= 0, iat=1222,1234, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 81 GLN HB2 94 SER H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1221,1411, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 81 GLN HE21 83 LEU QD2 3.98
&rst
ixpk= 0, nxpk= 0, iat=1230, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1266,1267,1268,
&end
#
# 81 GLN HG3 81 GLN HE22 3.88
&rst
ixpk= 0, nxpk= 0, iat=1225,1229, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 82 LEU H 83 LEU H 4.92
&rst
ixpk= 0, nxpk= 0, iat=1234,1253, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 82 LEU HA 83 LEU HG 4.39
&rst
ixpk= 0, nxpk= 0, iat=1236,1260, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 82 LEU HA 94 SER H 4.32
&rst
ixpk= 0, nxpk= 0, iat=1236,1411, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 82 LEU HB2 93 LEU QD1 4.80
&rst
ixpk= 0, nxpk= 0, iat=1238, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1401,1402,1403,
&end
#
# 83 LEU H 83 LEU QD1 4.01
&rst
ixpk= 0, nxpk= 0, iat=1253, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1262,1263,1264,
&end
#
# 83 LEU HG 94 SER QB 4.00
&rst
ixpk= 0, nxpk= 0, iat=1260, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1415,1416,
&end
#
# 83 LEU QD1 95 ILE H 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1422, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1=1262,1263,1264,
&end
#
# 83 LEU QD2 94 SER HA 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1413, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1=1266,1267,1268,
&end
#
# 85 ASP H 90 ASP H 4.63
&rst
ixpk= 0, nxpk= 0, iat=1279,1359, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 86 ILE HA 86 ILE QD1 4.24
&rst
ixpk= 0, nxpk= 0, iat=1293, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=1304,1305,1306,
&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
#
# 86 ILE HB 87 TRP H 4.79
&rst
ixpk= 0, nxpk= 0, iat=1295,1310, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 86 ILE QG2 87 TRP H 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1,1310, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1297,1298,1299,
&end
#
# 87 TRP H 87 TRP HB3 4.12
&rst
ixpk= 0, nxpk= 0, iat=1310,1315, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 87 TRP H 88 SER HB3 5.13
&rst
ixpk= 0, nxpk= 0, iat=1310,1339, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 87 TRP HB3 88 SER H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1315,1334, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 88 SER H 88 SER HB2 3.86
&rst
ixpk= 0, nxpk= 0, iat=1334,1338, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 88 SER HA 90 ASP H 4.95
&rst
ixpk= 0, nxpk= 0, iat=1336,1359, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 8 GLY HA3 11 TYR QD 5.26
&rst
ixpk= 0, nxpk= 0, iat= 120, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2= 151, 160,
&end
#
# 90 ASP H 90 ASP HB3 4.08
&rst
ixpk= 0, nxpk= 0, iat=1359,1364, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 91 CYX H 92 SER H 3.62
&rst
ixpk= 0, nxpk= 0, iat=1371,1381, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 92 SER HA 93 LEU H 3.43
&rst
ixpk= 0, nxpk= 0, iat=1383,1392, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 93 LEU H 93 LEU HB3 3.77
&rst
ixpk= 0, nxpk= 0, iat=1392,1397, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 93 LEU HB2 94 SER H 4.24
&rst
ixpk= 0, nxpk= 0, iat=1396,1411, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 93 LEU QD2 130 LEU HG 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1,2051, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1=1405,1406,1407,
&end
#
# 93 LEU QD2 132 VAL QG1 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,
igr1=1405,1406,1407,
igr2=2080,2081,2082,
&end
#
# 93 LEU QD2 132 VAL QG2 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1=1405,1406,1407,
igr2=2084,2085,2086,
&end
#
# 93 LEU QD2 95 ILE H 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1422, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1=1405,1406,1407,
&end
#
# 93 LEU QD2 95 ILE HA 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1,1424, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1405,1406,1407,
&end
#
# 93 LEU QD2 95 ILE HG12 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1432, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=1405,1406,1407,
&end
#
# 93 LEU QD2 95 ILE QD1 3.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1405,1406,1407,
igr2=1435,1436,1437,
&end
#
# 94 SER H 95 ILE H 4.77
&rst
ixpk= 0, nxpk= 0, iat=1411,1422, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 94 SER H 95 ILE QD1 5.67
&rst
ixpk= 0, nxpk= 0, iat=1411, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=1435,1436,1437,
&end
#
# 94 SER HA 95 ILE H 3.17
&rst
ixpk= 0, nxpk= 0, iat=1413,1422, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 95 ILE H 95 ILE HB 3.57
&rst
ixpk= 0, nxpk= 0, iat=1422,1426, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 95 ILE HA 96 ARG H 3.18
&rst
ixpk= 0, nxpk= 0, iat=1424,1441, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 95 ILE HB 95 ILE QD1 3.17
&rst
ixpk= 0, nxpk= 0, iat=1426, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2=1435,1436,1437,
&end
#
# 95 ILE QD1 132 VAL HB 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1,2078, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1435,1436,1437,
&end
#
# 95 ILE QD1 132 VAL QG1 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1435,1436,1437,
igr2=2080,2081,2082,
&end
#
# 95 ILE QG2 95 ILE HG12 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1432, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1428,1429,1430,
&end
#
# 95 ILE QG2 96 ARG H 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1441, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1=1428,1429,1430,
&end
#
# 95 ILE QG2 96 ARG HG3 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1,1449, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1=1428,1429,1430,
&end
#
# 96 ARG H 96 ARG QB 3.39
&rst
ixpk= 0, nxpk= 0, iat=1441, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2=1445,1446,
&end
#
# 96 ARG HA 97 ASP H 3.24
&rst
ixpk= 0, nxpk= 0, iat=1443,1465, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 96 ARG QB 96 ARG QD 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1445,1446,
igr2=1451,1452,
&end
#
# 97 ASP H 97 ASP HB2 3.79
&rst
ixpk= 0, nxpk= 0, iat=1465,1469, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 97 ASP HA 98 ALA H 3.25
&rst
ixpk= 0, nxpk= 0, iat=1467,1477, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 97 ASP HB3 98 ALA H 4.60
&rst
ixpk= 0, nxpk= 0, iat=1470,1477, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 97 ASP HB3 98 ALA QB 5.76
&rst
ixpk= 0, nxpk= 0, iat=1470, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr2=1481,1482,1483,
&end
#
# 98 ALA H 98 ALA QB 2.90
&rst
ixpk= 0, nxpk= 0, iat=1477, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=1481,1482,1483,
&end
#
# 98 ALA HA 99 ARG HG2 5.14
&rst
ixpk= 0, nxpk= 0, iat=1479,1494, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 99 ARG H 100 LYS HA 5.49
&rst
ixpk= 0, nxpk= 0, iat=1487,1513, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 99 ARG H 102 ASP HB2 4.91
&rst
ixpk= 0, nxpk= 0, iat=1487,1561, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 99 ARG H 134 VAL QG2 4.58
&rst
ixpk= 0, nxpk= 0, iat=1487, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=2120,2121,2122,
&end
#
# 99 ARG H 99 ARG HB2 4.04
&rst
ixpk= 0, nxpk= 0, iat=1487,1491, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 99 ARG HA 102 ASP H 5.55
&rst
ixpk= 0, nxpk= 0, iat=1489,1557, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 99 ARG HB2 102 ASP H 4.60
&rst
ixpk= 0, nxpk= 0, iat=1491,1557, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 9 ASP H 10 GLY H 5.26
&rst
ixpk= 0, nxpk= 0, iat= 124, 136, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 9 ASP HA 10 GLY HA3 4.78
&rst
ixpk= 0, nxpk= 0, iat= 126, 139, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 9 ASP HA 11 TYR H 4.16
&rst
ixpk= 0, nxpk= 0, iat= 126, 143, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 9 ASP HA 125 TYR QD 5.53
&rst
ixpk= 0, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2=1956,1965,
&end
#
# 9 ASP HB2 10 GLY H 5.15
&rst
ixpk= 0, nxpk= 0, iat= 128, 136, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 9 ASP HB3 10 GLY HA2 5.80
&rst
ixpk= 0, nxpk= 0, iat= 129, 138, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 100 LYS H 100 LYS HG2 3.91
&rst
ixpk= 0, nxpk= 0, iat=1511,1518, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 100 LYS H 102 ASP H 4.74
&rst
ixpk= 0, nxpk= 0, iat=1511,1557, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 100 LYS H 134 VAL QG1 4.36
&rst
ixpk= 0, nxpk= 0, iat=1511, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=2116,2117,2118,
&end
#
# 100 LYS H 134 VAL QG2 4.98
&rst
ixpk= 0, nxpk= 0, iat=1511, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=2120,2121,2122,
&end
#
# 100 LYS HA 100 LYS HG2 3.50
&rst
ixpk= 0, nxpk= 0, iat=1513,1518, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 100 LYS HA 100 LYS QB 3.21
&rst
ixpk= 0, nxpk= 0, iat=1513, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1515,1516,
&end
#
# 100 LYS HA 102 ASP H 4.13
&rst
ixpk= 0, nxpk= 0, iat=1513,1557, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 100 LYS HA 103 LYS H 4.08
&rst
ixpk= 0, nxpk= 0, iat=1513,1569, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 100 LYS HA 134 VAL H 5.20
&rst
ixpk= 0, nxpk= 0, iat=1513,2110, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 100 LYS HG3 100 LYS QE 3.51
&rst
ixpk= 0, nxpk= 0, iat=1519, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=1524,1525,
&end
#
# 100 LYS HG2 100 LYS QD 2.93
&rst
ixpk= 0, nxpk= 0, iat=1518, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2=1521,1522,
&end
#
# 100 LYS QB 100 LYS HG3 3.19
&rst
ixpk= 0, nxpk= 0, iat= -1,1519, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr1=1515,1516,
&end
#
# 100 LYS QB 100 LYS HG2 3.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1518, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr1=1515,1516,
&end
#
# 100 LYS QB 100 LYS QE 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1=1515,1516,
igr2=1524,1525,
&end
#
# 100 LYS QD 100 LYS QE 2.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr1=1521,1522,
igr2=1524,1525,
&end
#
# 102 ASP H 102 ASP HB3 4.17
&rst
ixpk= 0, nxpk= 0, iat=1557,1562, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 102 ASP H 102 ASP HB2 4.09
&rst
ixpk= 0, nxpk= 0, iat=1557,1561, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 102 ASP H 103 LYS H 3.28
&rst
ixpk= 0, nxpk= 0, iat=1557,1569, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 102 ASP H 106 TYR HH 5.39
&rst
ixpk= 0, nxpk= 0, iat=1557,1622, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 102 ASP H 134 VAL QG2 3.79
&rst
ixpk= 0, nxpk= 0, iat=1557, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=2120,2121,2122,
&end
#
# 102 ASP HA 106 TYR QE 5.06
&rst
ixpk= 0, nxpk= 0, iat=1559, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1619,1624,
&end
#
# 102 ASP HB3 103 LYS H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1562,1569, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 103 LYS H 103 LYS HB2 3.37
&rst
ixpk= 0, nxpk= 0, iat=1569,1573, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 103 LYS H 103 LYS HG3 5.16
&rst
ixpk= 0, nxpk= 0, iat=1569,1577, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 103 LYS H 103 LYS HG2 4.52
&rst
ixpk= 0, nxpk= 0, iat=1569,1576, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 103 LYS H 103 LYS QE 5.37
&rst
ixpk= 0, nxpk= 0, iat=1569, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=1582,1583,
&end
#
# 103 LYS H 104 GLY H 4.97
&rst
ixpk= 0, nxpk= 0, iat=1569,1591, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 103 LYS H 106 TYR HH 4.77
&rst
ixpk= 0, nxpk= 0, iat=1569,1622, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &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 H 133 PHE HA 5.68
&rst
ixpk= 0, nxpk= 0, iat=1569,2092, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 103 LYS H 134 VAL H 5.67
&rst
ixpk= 0, nxpk= 0, iat=1569,2110, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 103 LYS H 134 VAL QG2 3.58
&rst
ixpk= 0, nxpk= 0, iat=1569, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=2120,2121,2122,
&end
#
# 103 LYS HA 103 LYS HD3 4.59
&rst
ixpk= 0, nxpk= 0, iat=1571,1580, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 103 LYS HA 103 LYS HG3 3.78
&rst
ixpk= 0, nxpk= 0, iat=1571,1577, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 103 LYS HA 103 LYS HG2 4.20
&rst
ixpk= 0, nxpk= 0, iat=1571,1576, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 103 LYS HA 104 GLY HA3 4.92
&rst
ixpk= 0, nxpk= 0, iat=1571,1594, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 103 LYS HA 132 VAL H 5.28
&rst
ixpk= 0, nxpk= 0, iat=1571,2074, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 103 LYS HA 132 VAL QG2 4.96
&rst
ixpk= 0, nxpk= 0, iat=1571, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=2084,2085,2086,
&end
#
# 103 LYS HA 134 VAL H 4.77
&rst
ixpk= 0, nxpk= 0, iat=1571,2110, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &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 HB2 104 GLY H 4.19
&rst
ixpk= 0, nxpk= 0, iat=1573,1591, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 103 LYS HB2 134 VAL H 4.06
&rst
ixpk= 0, nxpk= 0, iat=1573,2110, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 103 LYS HB3 103 LYS HG3 3.31
&rst
ixpk= 0, nxpk= 0, iat=1574,1577, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 103 LYS HB3 103 LYS HG2 3.30
&rst
ixpk= 0, nxpk= 0, iat=1574,1576, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 103 LYS HB3 104 GLY H 4.76
&rst
ixpk= 0, nxpk= 0, iat=1574,1591, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 103 LYS HB3 134 VAL H 4.33
&rst
ixpk= 0, nxpk= 0, iat=1574,2110, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 103 LYS HB3 134 VAL QG1 4.94
&rst
ixpk= 0, nxpk= 0, iat=1574, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=2116,2117,2118,
&end
#
# 103 LYS HD3 103 LYS QE 3.03
&rst
ixpk= 0, nxpk= 0, iat=1580, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr2=1582,1583,
&end
#
# 103 LYS HD3 104 GLY H 5.06
&rst
ixpk= 0, nxpk= 0, iat=1580,1591, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 103 LYS HD3 134 VAL H 4.30
&rst
ixpk= 0, nxpk= 0, iat=1580,2110, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 103 LYS HD3 134 VAL QG2 4.44
&rst
ixpk= 0, nxpk= 0, iat=1580, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=2120,2121,2122,
&end
#
# 103 LYS HD2 133 PHE HA 4.57
&rst
ixpk= 0, nxpk= 0, iat=1579,2092, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 103 LYS HD2 134 VAL H 4.15
&rst
ixpk= 0, nxpk= 0, iat=1579,2110, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 103 LYS HG3 103 LYS QE 3.90
&rst
ixpk= 0, nxpk= 0, iat=1577, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1582,1583,
&end
#
# 103 LYS HG3 104 GLY H 3.97
&rst
ixpk= 0, nxpk= 0, iat=1577,1591, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 103 LYS HG3 104 GLY HA3 4.75
&rst
ixpk= 0, nxpk= 0, iat=1577,1594, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 103 LYS HG3 133 PHE HA 3.77
&rst
ixpk= 0, nxpk= 0, iat=1577,2092, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 103 LYS HG3 133 PHE QE 5.55
&rst
ixpk= 0, nxpk= 0, iat=1577, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2=2100,2104,
&end
#
# 103 LYS HG3 134 VAL H 4.39
&rst
ixpk= 0, nxpk= 0, iat=1577,2110, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 103 LYS HG3 134 VAL QG2 5.30
&rst
ixpk= 0, nxpk= 0, iat=1577, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2=2120,2121,2122,
&end
#
# 103 LYS HG2 104 GLY H 4.46
&rst
ixpk= 0, nxpk= 0, iat=1576,1591, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 103 LYS HG2 104 GLY HA2 4.86
&rst
ixpk= 0, nxpk= 0, iat=1576,1593, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 103 LYS HG2 133 PHE HA 4.56
&rst
ixpk= 0, nxpk= 0, iat=1576,2092, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 103 LYS HG2 133 PHE QD 5.54
&rst
ixpk= 0, nxpk= 0, iat=1576, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2=2098,2106,
&end
#
# 103 LYS HG2 134 VAL H 4.81
&rst
ixpk= 0, nxpk= 0, iat=1576,2110, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 103 LYS QE 134 VAL QG1 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1582,1583,
igr2=2116,2117,2118,
&end
#
# 104 GLY H 105 SER H 4.43
&rst
ixpk= 0, nxpk= 0, iat=1591,1598, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 104 GLY H 105 SER HA 5.03
&rst
ixpk= 0, nxpk= 0, iat=1591,1600, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 104 GLY H 106 TYR HH 4.88
&rst
ixpk= 0, nxpk= 0, iat=1591,1622, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 104 GLY H 106 TYR QD 5.12
&rst
ixpk= 0, nxpk= 0, iat=1591, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=1617,1626,
&end
#
# 104 GLY H 106 TYR QE 4.06
&rst
ixpk= 0, nxpk= 0, iat=1591, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1619,1624,
&end
#
# 104 GLY H 131 SER HA 5.22
&rst
ixpk= 0, nxpk= 0, iat=1591,2065, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 104 GLY H 132 VAL H 3.89
&rst
ixpk= 0, nxpk= 0, iat=1591,2074, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 104 GLY H 132 VAL HB 3.84
&rst
ixpk= 0, nxpk= 0, iat=1591,2078, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 104 GLY H 132 VAL QG1 3.96
&rst
ixpk= 0, nxpk= 0, iat=1591, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=2080,2081,2082,
&end
#
# 104 GLY H 132 VAL QG2 4.53
&rst
ixpk= 0, nxpk= 0, iat=1591, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=2084,2085,2086,
&end
#
# 104 GLY H 133 PHE H 4.95
&rst
ixpk= 0, nxpk= 0, iat=1591,2090, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 104 GLY H 133 PHE HA 4.48
&rst
ixpk= 0, nxpk= 0, iat=1591,2092, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 104 GLY H 134 VAL QG2 4.94
&rst
ixpk= 0, nxpk= 0, iat=1591, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=2120,2121,2122,
&end
#
# 104 GLY HA2 105 SER HB3 5.26
&rst
ixpk= 0, nxpk= 0, iat=1593,1603, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 105 SER H 105 SER HB2 3.95
&rst
ixpk= 0, nxpk= 0, iat=1598,1602, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 105 SER H 131 SER HA 4.81
&rst
ixpk= 0, nxpk= 0, iat=1598,2065, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 105 SER H 132 VAL H 4.82
&rst
ixpk= 0, nxpk= 0, iat=1598,2074, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 105 SER HA 106 TYR HB2 5.38
&rst
ixpk= 0, nxpk= 0, iat=1600,1613, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 105 SER HA 106 TYR QE 4.50
&rst
ixpk= 0, nxpk= 0, iat=1600, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1619,1624,
&end
#
# 105 SER HA 130 LEU H 5.20
&rst
ixpk= 0, nxpk= 0, iat=1600,2044, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 105 SER HA 130 LEU HG 5.42
&rst
ixpk= 0, nxpk= 0, iat=1600,2051, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 105 SER HA 130 LEU QD2 5.77
&rst
ixpk= 0, nxpk= 0, iat=1600, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=2057,2058,2059,
&end
#
# 105 SER HA 131 SER H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1600,2063, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 105 SER HA 131 SER HA 3.57
&rst
ixpk= 0, nxpk= 0, iat=1600,2065, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 105 SER HA 132 VAL H 3.67
&rst
ixpk= 0, nxpk= 0, iat=1600,2074, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 105 SER HA 132 VAL QG2 4.50
&rst
ixpk= 0, nxpk= 0, iat=1600, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2084,2085,2086,
&end
#
# 105 SER HB2 130 LEU H 5.80
&rst
ixpk= 0, nxpk= 0, iat=1602,2044, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 105 SER HB2 132 VAL H 4.98
&rst
ixpk= 0, nxpk= 0, iat=1602,2074, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 105 SER HB3 106 TYR H 4.32
&rst
ixpk= 0, nxpk= 0, iat=1603,1609, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 105 SER HB3 132 VAL H 5.80
&rst
ixpk= 0, nxpk= 0, iat=1603,2074, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 106 TYR H 106 TYR HB3 4.23
&rst
ixpk= 0, nxpk= 0, iat=1609,1614, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 106 TYR H 106 TYR HB2 4.16
&rst
ixpk= 0, nxpk= 0, iat=1609,1613, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 106 TYR H 130 LEU H 4.14
&rst
ixpk= 0, nxpk= 0, iat=1609,2044, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 106 TYR H 130 LEU HB3 4.69
&rst
ixpk= 0, nxpk= 0, iat=1609,2049, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 106 TYR H 130 LEU HG 5.42
&rst
ixpk= 0, nxpk= 0, iat=1609,2051, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 106 TYR H 130 LEU QD2 4.91
&rst
ixpk= 0, nxpk= 0, iat=1609, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=2057,2058,2059,
&end
#
# 106 TYR H 131 SER H 5.38
&rst
ixpk= 0, nxpk= 0, iat=1609,2063, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 106 TYR H 131 SER HA 3.76
&rst
ixpk= 0, nxpk= 0, iat=1609,2065, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 106 TYR H 132 VAL H 4.52
&rst
ixpk= 0, nxpk= 0, iat=1609,2074, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 106 TYR HA 106 TYR QD 3.69
&rst
ixpk= 0, nxpk= 0, iat=1611, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=1617,1626,
&end
#
# 106 TYR HA 106 TYR QE 5.10
&rst
ixpk= 0, nxpk= 0, iat=1611, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1619,1624,
&end
#
# 106 TYR HB3 130 LEU HB3 5.41
&rst
ixpk= 0, nxpk= 0, iat=1614,2049, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 106 TYR HB2 107 PHE H 4.26
&rst
ixpk= 0, nxpk= 0, iat=1613,1630, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 106 TYR HB2 130 LEU H 4.62
&rst
ixpk= 0, nxpk= 0, iat=1613,2044, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 106 TYR HH 132 VAL HB 5.04
&rst
ixpk= 0, nxpk= 0, iat=1622,2078, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 106 TYR QD 130 LEU HB3 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1,2049, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1617,1626,
&end
#
# 106 TYR QD 130 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=1617,1626,
igr2=2057,2058,2059,
&end
#
# 106 TYR QD 131 SER H 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,2063, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=1617,1626,
&end
#
# 106 TYR QD 132 VAL H 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1,2074, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=1617,1626,
&end
#
# 106 TYR QD 132 VAL HB 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1,2078, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1=1617,1626,
&end
#
# 106 TYR QD 132 VAL QG2 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1=1617,1626,
igr2=2084,2085,2086,
&end
#
# 106 TYR QE 106 TYR HH 3.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1622, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr1=1619,1624,
&end
#
# 106 TYR QE 130 LEU QD2 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1=1619,1624,
igr2=2057,2058,2059,
&end
#
# 106 TYR QE 132 VAL H 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1,2074, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1=1619,1624,
&end
#
# 106 TYR QE 132 VAL QG1 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=1619,1624,
igr2=2080,2081,2082,
&end
#
# 107 PHE H 107 PHE HB3 4.32
&rst
ixpk= 0, nxpk= 0, iat=1630,1635, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 107 PHE H 107 PHE QE 4.44
&rst
ixpk= 0, nxpk= 0, iat=1630, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=1640,1644,
&end
#
# 107 PHE HA 129 GLN HA 4.75
&rst
ixpk= 0, nxpk= 0, iat=1632,2029, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 107 PHE HA 129 GLN HE21 5.80
&rst
ixpk= 0, nxpk= 0, iat=1632,2040, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 107 PHE HA 129 GLN HG2 4.69
&rst
ixpk= 0, nxpk= 0, iat=1632,2034, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 107 PHE HA 130 LEU H 4.68
&rst
ixpk= 0, nxpk= 0, iat=1632,2044, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 108 PHE HB3 109 ARG H 4.67
&rst
ixpk= 0, nxpk= 0, iat=1655,1670, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 10 GLY H 12 LEU HG 5.80
&rst
ixpk= 0, nxpk= 0, iat= 136, 171, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 10 GLY HA2 12 LEU QD2 4.80
&rst
ixpk= 0, nxpk= 0, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 177, 178, 179,
&end
#
# 10 GLY HA3 11 TYR H 3.82
&rst
ixpk= 0, nxpk= 0, iat= 139, 143, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 110 LEU H 110 LEU QD2 4.96
&rst
ixpk= 0, nxpk= 0, iat=1694, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=1707,1708,1709,
&end
#
# 110 LEU H 111 GLU H 4.82
&rst
ixpk= 0, nxpk= 0, iat=1694,1713, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 110 LEU HA 110 LEU QD2 5.13
&rst
ixpk= 0, nxpk= 0, iat=1696, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2=1707,1708,1709,
&end
#
# 110 LEU HB3 111 GLU H 4.81
&rst
ixpk= 0, nxpk= 0, iat=1699,1713, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 110 LEU HB2 111 GLU H 4.39
&rst
ixpk= 0, nxpk= 0, iat=1698,1713, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 110 LEU HG 111 GLU H 4.29
&rst
ixpk= 0, nxpk= 0, iat=1701,1713, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 110 LEU QD2 111 GLU H 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1713, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1=1707,1708,1709,
&end
#
# 111 GLU H 112 ARG H 4.68
&rst
ixpk= 0, nxpk= 0, iat=1713,1728, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 111 GLU HA 111 GLU QG 4.00
&rst
ixpk= 0, nxpk= 0, iat=1715, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1720,1721,
&end
#
# 111 GLU HA 112 ARG H 3.81
&rst
ixpk= 0, nxpk= 0, iat=1715,1728, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 111 GLU HA 116 LYS H 5.80
&rst
ixpk= 0, nxpk= 0, iat=1715,1787, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 111 GLU HA 116 LYS HA 4.07
&rst
ixpk= 0, nxpk= 0, iat=1715,1789, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 113 GLY H 115 MET H 5.10
&rst
ixpk= 0, nxpk= 0, iat=1752,1770, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 113 GLY HA3 115 MET H 4.88
&rst
ixpk= 0, nxpk= 0, iat=1755,1770, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 114 SER HB2 115 MET H 5.02
&rst
ixpk= 0, nxpk= 0, iat=1763,1770, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 114 SER HB3 115 MET H 5.02
&rst
ixpk= 0, nxpk= 0, iat=1764,1770, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 115 MET H 115 MET HG2 5.05
&rst
ixpk= 0, nxpk= 0, iat=1770,1777, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 115 MET H 116 LYS H 4.72
&rst
ixpk= 0, nxpk= 0, iat=1770,1787, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 115 MET H 116 LYS QE 6.00
&rst
ixpk= 0, nxpk= 0, iat=1770, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1800,1801,
&end
#
# 115 MET HB3 115 MET QE 3.92
&rst
ixpk= 0, nxpk= 0, iat=1775, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1781,1782,1783,
&end
#
# 115 MET HG3 115 MET QE 3.66
&rst
ixpk= 0, nxpk= 0, iat=1778, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1781,1782,1783,
&end
#
# 116 LYS HA 116 LYS HG3 4.16
&rst
ixpk= 0, nxpk= 0, iat=1789,1795, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 116 LYS QD 116 LYS QE 2.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr1=1797,1798,
igr2=1800,1801,
&end
#
# 11 TYR H 11 TYR QB 3.77
&rst
ixpk= 0, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 147, 148,
&end
#
# 11 TYR H 11 TYR QE 4.85
&rst
ixpk= 0, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 153, 158,
&end
#
# 11 TYR H 12 LEU QD2 5.39
&rst
ixpk= 0, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2= 177, 178, 179,
&end
#
# 11 TYR HA 11 TYR QD 4.54
&rst
ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 151, 160,
&end
#
# 11 TYR QD 36 PRO HD3 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 151, 160,
&end
#
# 11 TYR QE 115 MET QE 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 153, 158,
igr2=1781,1782,1783,
&end
#
# 120 LYS HB2 120 LYS HD2 4.39
&rst
ixpk= 0, nxpk= 0, iat=1869,1875, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 120 LYS HB2 120 LYS HD3 4.39
&rst
ixpk= 0, nxpk= 0, iat=1869,1876, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 120 LYS HB2 120 LYS QE 4.56
&rst
ixpk= 0, nxpk= 0, iat=1869, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1878,1879,
&end
#
# 120 LYS HB3 120 LYS QE 4.56
&rst
ixpk= 0, nxpk= 0, iat=1870, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1878,1879,
&end
#
# 120 LYS HB3 121 SER H 5.05
&rst
ixpk= 0, nxpk= 0, iat=1870,1887, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &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
#
# 121 SER HB2 125 TYR QD 5.03
&rst
ixpk= 0, nxpk= 0, iat=1891, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2=1956,1965,
&end
#
# 122 GLN H 122 GLN HG3 5.57
&rst
ixpk= 0, nxpk= 0, iat=1898,1906, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 122 GLN HB3 123 LEU QD1 4.42
&rst
ixpk= 0, nxpk= 0, iat=1903, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1924,1925,1926,
&end
#
# 123 LEU HA 123 LEU QD1 3.92
&rst
ixpk= 0, nxpk= 0, iat=1917, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1924,1925,1926,
&end
#
# 123 LEU HB3 123 LEU QD1 3.49
&rst
ixpk= 0, nxpk= 0, iat=1920, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1924,1925,1926,
&end
#
# 123 LEU HB3 123 LEU QD2 3.30
&rst
ixpk= 0, nxpk= 0, iat=1920, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1928,1929,1930,
&end
#
# 123 LEU HB2 123 LEU QD2 3.27
&rst
ixpk= 0, nxpk= 0, iat=1919, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1928,1929,1930,
&end
#
# 123 LEU QD1 124 ASN HD22 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1,1943, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1924,1925,1926,
&end
#
# 124 ASN H 124 ASN HB3 4.48
&rst
ixpk= 0, nxpk= 0, iat=1934,1939, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 124 ASN HB3 125 TYR H 4.87
&rst
ixpk= 0, nxpk= 0, iat=1939,1948, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 124 ASN HB2 124 ASN HD22 4.04
&rst
ixpk= 0, nxpk= 0, iat=1938,1943, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 125 TYR H 125 TYR QD 4.49
&rst
ixpk= 0, nxpk= 0, iat=1948, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1956,1965,
&end
#
# 125 TYR HB2 126 LYS H 4.40
&rst
ixpk= 0, nxpk= 0, iat=1952,1969, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 125 TYR QD 127 THR QG2 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1=1956,1965,
igr2=1997,1998,1999,
&end
#
# 125 TYR QE 126 LYS H 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1969, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1958,1963,
&end
#
# 125 TYR QE 127 THR HB 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1,1995, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=1958,1963,
&end
#
# 126 LYS H 126 LYS HB3 4.29
&rst
ixpk= 0, nxpk= 0, iat=1969,1974, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 126 LYS H 126 LYS HG2 4.04
&rst
ixpk= 0, nxpk= 0, iat=1969,1976, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 126 LYS H 126 LYS HG3 4.74
&rst
ixpk= 0, nxpk= 0, iat=1969,1977, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 126 LYS H 126 LYS QD 4.49
&rst
ixpk= 0, nxpk= 0, iat=1969, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1979,1980,
&end
#
# 126 LYS H 127 THR H 4.88
&rst
ixpk= 0, nxpk= 0, iat=1969,1991, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 126 LYS H 127 THR QG2 5.46
&rst
ixpk= 0, nxpk= 0, iat=1969, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2=1997,1998,1999,
&end
#
# 126 LYS HA 126 LYS HG2 3.92
&rst
ixpk= 0, nxpk= 0, iat=1971,1976, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 126 LYS HA 126 LYS QD 3.75
&rst
ixpk= 0, nxpk= 0, iat=1971, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2=1979,1980,
&end
#
# 126 LYS HB3 126 LYS QE 4.55
&rst
ixpk= 0, nxpk= 0, iat=1974, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2=1982,1983,
&end
#
# 126 LYS HB2 126 LYS QE 4.81
&rst
ixpk= 0, nxpk= 0, iat=1973, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1982,1983,
&end
#
# 126 LYS HB2 127 THR H 4.48
&rst
ixpk= 0, nxpk= 0, iat=1973,1991, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 126 LYS HG3 126 LYS QE 3.42
&rst
ixpk= 0, nxpk= 0, iat=1977, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=1982,1983,
&end
#
# 126 LYS QD 126 LYS QE 2.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr1=1979,1980,
igr2=1982,1983,
&end
#
# 127 THR HA 127 THR QG2 3.69
&rst
ixpk= 0, nxpk= 0, iat=1993, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=1997,1998,1999,
&end
#
# 128 LYS HG2 129 GLN H 4.45
&rst
ixpk= 0, nxpk= 0, iat=2012,2027, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 128 LYS QE 129 GLN H 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1,2027, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=2018,2019,
&end
#
# 129 GLN H 129 GLN HB3 4.24
&rst
ixpk= 0, nxpk= 0, iat=2027,2032, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 129 GLN H 129 GLN HG2 4.90
&rst
ixpk= 0, nxpk= 0, iat=2027,2034, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 129 GLN H 130 LEU H 4.76
&rst
ixpk= 0, nxpk= 0, iat=2027,2044, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 129 GLN HA 129 GLN HE21 5.24
&rst
ixpk= 0, nxpk= 0, iat=2029,2040, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 129 GLN HB2 129 GLN HE21 4.22
&rst
ixpk= 0, nxpk= 0, iat=2031,2040, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 129 GLN HB2 129 GLN HE22 4.69
&rst
ixpk= 0, nxpk= 0, iat=2031,2039, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 129 GLN HB2 130 LEU H 3.95
&rst
ixpk= 0, nxpk= 0, iat=2031,2044, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 129 GLN HG2 129 GLN HE21 3.72
&rst
ixpk= 0, nxpk= 0, iat=2034,2040, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 129 GLN HG2 129 GLN HE22 4.23
&rst
ixpk= 0, nxpk= 0, iat=2034,2039, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 129 GLN HG2 130 LEU H 4.15
&rst
ixpk= 0, nxpk= 0, iat=2034,2044, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 12 LEU H 12 LEU HB2 4.03
&rst
ixpk= 0, nxpk= 0, iat= 164, 168, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 12 LEU H 12 LEU HG 4.02
&rst
ixpk= 0, nxpk= 0, iat= 164, 171, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 12 LEU H 12 LEU QD1 4.05
&rst
ixpk= 0, nxpk= 0, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 173, 174, 175,
&end
#
# 12 LEU H 12 LEU QD2 3.95
&rst
ixpk= 0, nxpk= 0, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 177, 178, 179,
&end
#
# 12 LEU H 13 LEU H 4.85
&rst
ixpk= 0, nxpk= 0, iat= 164, 183, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 12 LEU H 34 SER H 4.22
&rst
ixpk= 0, nxpk= 0, iat= 164, 505, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 12 LEU HA 12 LEU HB2 3.29
&rst
ixpk= 0, nxpk= 0, iat= 166, 168, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 12 LEU HA 12 LEU QD1 3.66
&rst
ixpk= 0, nxpk= 0, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 173, 174, 175,
&end
#
# 12 LEU HA 12 LEU QD2 3.73
&rst
ixpk= 0, nxpk= 0, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 177, 178, 179,
&end
#
# 12 LEU HA 34 SER H 5.67
&rst
ixpk= 0, nxpk= 0, iat= 166, 505, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 12 LEU HB3 12 LEU QD2 3.48
&rst
ixpk= 0, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 177, 178, 179,
&end
#
# 12 LEU HB2 34 SER H 5.40
&rst
ixpk= 0, nxpk= 0, iat= 168, 505, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 12 LEU HG 13 LEU H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 171, 183, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 12 LEU QD1 14 GLN HE21 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 215, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 173, 174, 175,
&end
#
# 12 LEU QD2 13 LEU H 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 183, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 177, 178, 179,
&end
#
# 12 LEU QD2 34 SER QB 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 177, 178, 179,
igr2= 509, 510,
&end
#
# 130 LEU H 130 LEU HB3 3.75
&rst
ixpk= 0, nxpk= 0, iat=2044,2049, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &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 HG 4.49
&rst
ixpk= 0, nxpk= 0, iat=2044,2051, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 130 LEU H 130 LEU QD2 4.62
&rst
ixpk= 0, nxpk= 0, iat=2044, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2=2057,2058,2059,
&end
#
# 130 LEU H 131 SER H 4.51
&rst
ixpk= 0, nxpk= 0, iat=2044,2063, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 130 LEU HB3 130 LEU QD1 4.00
&rst
ixpk= 0, nxpk= 0, iat=2049, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=2053,2054,2055,
&end
#
# 130 LEU HB3 131 SER H 5.04
&rst
ixpk= 0, nxpk= 0, iat=2049,2063, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 130 LEU HB2 130 LEU QD2 3.38
&rst
ixpk= 0, nxpk= 0, iat=2048, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=2057,2058,2059,
&end
#
# 130 LEU HB2 131 SER H 4.65
&rst
ixpk= 0, nxpk= 0, iat=2048,2063, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 130 LEU HG 131 SER H 4.29
&rst
ixpk= 0, nxpk= 0, iat=2051,2063, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 130 LEU HG 132 VAL H 5.06
&rst
ixpk= 0, nxpk= 0, iat=2051,2074, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 130 LEU HG 132 VAL QG2 3.53
&rst
ixpk= 0, nxpk= 0, iat=2051, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=2084,2085,2086,
&end
#
# 130 LEU QD1 131 SER H 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1,2063, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1=2053,2054,2055,
&end
#
# 130 LEU QD1 131 SER HA 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1,2065, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=2053,2054,2055,
&end
#
# 130 LEU QD2 131 SER H 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1,2063, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1=2057,2058,2059,
&end
#
# 130 LEU QD2 131 SER HA 5.72
&rst
ixpk= 0, nxpk= 0, iat= -1,2065, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1=2057,2058,2059,
&end
#
# 130 LEU QD2 132 VAL H 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1,2074, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=2057,2058,2059,
&end
#
# 130 LEU QD2 132 VAL QG1 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1=2057,2058,2059,
igr2=2080,2081,2082,
&end
#
# 130 LEU QD2 132 VAL QG2 3.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1=2057,2058,2059,
igr2=2084,2085,2086,
&end
#
# 131 SER H 131 SER HB2 3.56
&rst
ixpk= 0, nxpk= 0, iat=2063,2067, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &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 132 VAL H 4.52
&rst
ixpk= 0, nxpk= 0, iat=2063,2074, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 131 SER HA 132 VAL H 3.25
&rst
ixpk= 0, nxpk= 0, iat=2065,2074, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 131 SER HA 132 VAL QG2 4.14
&rst
ixpk= 0, nxpk= 0, iat=2065, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=2084,2085,2086,
&end
#
# 132 VAL H 132 VAL HB 3.66
&rst
ixpk= 0, nxpk= 0, iat=2074,2078, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 132 VAL H 132 VAL QG1 4.10
&rst
ixpk= 0, nxpk= 0, iat=2074, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=2080,2081,2082,
&end
#
# 132 VAL H 132 VAL QG2 3.53
&rst
ixpk= 0, nxpk= 0, iat=2074, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=2084,2085,2086,
&end
#
# 132 VAL H 133 PHE H 5.05
&rst
ixpk= 0, nxpk= 0, iat=2074,2090, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 132 VAL HB 133 PHE H 4.48
&rst
ixpk= 0, nxpk= 0, iat=2078,2090, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 132 VAL QG2 133 PHE H 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1,2090, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=2084,2085,2086,
&end
#
# 133 PHE H 133 PHE HB3 3.83
&rst
ixpk= 0, nxpk= 0, iat=2090,2095, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 133 PHE H 133 PHE HB2 3.60
&rst
ixpk= 0, nxpk= 0, iat=2090,2094, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 133 PHE H 133 PHE QD 4.57
&rst
ixpk= 0, nxpk= 0, iat=2090, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=2098,2106,
&end
#
# 133 PHE H 134 VAL H 4.83
&rst
ixpk= 0, nxpk= 0, iat=2090,2110, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 133 PHE HA 134 VAL H 3.07
&rst
ixpk= 0, nxpk= 0, iat=2092,2110, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 133 PHE HA 134 VAL HA 5.21
&rst
ixpk= 0, nxpk= 0, iat=2092,2112, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 133 PHE HB3 134 VAL H 3.88
&rst
ixpk= 0, nxpk= 0, iat=2095,2110, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 133 PHE HB2 134 VAL H 4.60
&rst
ixpk= 0, nxpk= 0, iat=2094,2110, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 133 PHE QE 134 VAL H 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1,2110, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=2100,2104,
&end
#
# 134 VAL H 134 VAL HB 3.43
&rst
ixpk= 0, nxpk= 0, iat=2110,2114, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 134 VAL H 134 VAL QG1 4.31
&rst
ixpk= 0, nxpk= 0, iat=2110, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=2116,2117,2118,
&end
#
# 134 VAL H 134 VAL QG2 3.45
&rst
ixpk= 0, nxpk= 0, iat=2110, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=2120,2121,2122,
&end
#
# 134 VAL HA 134 VAL QG2 3.25
&rst
ixpk= 0, nxpk= 0, iat=2112, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2=2120,2121,2122,
&end
#
# 134 VAL HB 135 THR H 4.73
&rst
ixpk= 0, nxpk= 0, iat=2114,2126, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 134 VAL QG1 136 ALA QB 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1=2116,2117,2118,
igr2=2144,2145,2146,
&end
#
# 134 VAL QG2 135 THR H 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2126, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2120,2121,2122,
&end
#
# 135 THR H 136 ALA QB 5.80
&rst
ixpk= 0, nxpk= 0, iat=2126, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=2144,2145,2146,
&end
#
# 135 THR HA 135 THR QG2 3.50
&rst
ixpk= 0, nxpk= 0, iat=2128, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2132,2133,2134,
&end
#
# 136 ALA H 136 ALA QB 3.31
&rst
ixpk= 0, nxpk= 0, iat=2140, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=2144,2145,2146,
&end
#
# 137 LEU H 137 LEU HB2 3.92
&rst
ixpk= 0, nxpk= 0, iat=2150,2154, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 137 LEU H 137 LEU QD1 4.06
&rst
ixpk= 0, nxpk= 0, iat=2150, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=2159,2160,2161,
&end
#
# 137 LEU HA 137 LEU HG 4.01
&rst
ixpk= 0, nxpk= 0, iat=2152,2157, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 138 THR HA 138 THR QG2 3.58
&rst
ixpk= 0, nxpk= 0, iat=2171, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=2175,2176,2177,
&end
#
# 139 HIS HA 139 HIS HB3 3.26
&rst
ixpk= 0, nxpk= 0, iat=2185,2188, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 13 LEU H 13 LEU HB2 4.34
&rst
ixpk= 0, nxpk= 0, iat= 183, 187, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 13 LEU H 14 GLN H 4.61
&rst
ixpk= 0, nxpk= 0, iat= 183, 202, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 13 LEU H 33 PHE HA 5.21
&rst
ixpk= 0, nxpk= 0, iat= 183, 487, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 13 LEU HG 33 PHE HB2 5.41
&rst
ixpk= 0, nxpk= 0, iat= 190, 489, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 13 LEU QD1 108 PHE HB3 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1,1655, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 192, 193, 194,
&end
#
# 13 LEU QD1 14 GLN H 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 192, 193, 194,
&end
#
# 13 LEU QD1 15 VAL QG2 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
igr1= 192, 193, 194,
igr2= 229, 230, 231,
&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 QD1 33 PHE H 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 192, 193, 194,
&end
#
# 13 LEU QD1 33 PHE HB2 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 489, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 192, 193, 194,
&end
#
# 13 LEU QD1 34 SER H 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 505, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 192, 193, 194,
&end
#
# 13 LEU QD1 50 TRP HZ2 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 192, 193, 194,
&end
#
# 13 LEU QD2 15 VAL HB 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 223, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 196, 197, 198,
&end
#
# 13 LEU QD2 15 VAL QG1 2.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 196, 197, 198,
igr2= 225, 226, 227,
&end
#
# 13 LEU QD2 50 TRP HH2 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 196, 197, 198,
&end
#
# 142 LEU HA 142 LEU HB3 3.31
&rst
ixpk= 0, nxpk= 0, iat=2220,2223, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 142 LEU HB3 143 VAL H 5.30
&rst
ixpk= 0, nxpk= 0, iat=2223,2237, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 143 VAL H 143 VAL HB 4.02
&rst
ixpk= 0, nxpk= 0, iat=2237,2241, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 143 VAL HA 144 PRO HD3 2.72
&rst
ixpk= 0, nxpk= 0, iat=2239,2255, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22, &end
#
# 143 VAL HB 144 PRO HD2 4.42
&rst
ixpk= 0, nxpk= 0, iat=2241,2254, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 143 VAL QG2 144 PRO HD2 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1,2254, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=2247,2248,2249,
&end
#
# 144 PRO HB3 145 ARG H 4.68
&rst
ixpk= 0, nxpk= 0, iat=2261,2267, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 145 ARG H 145 ARG HB2 4.24
&rst
ixpk= 0, nxpk= 0, iat=2267,2271, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 14 GLN H 15 VAL H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 202, 219, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 14 GLN H 15 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 202, 221, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 GLN H 15 VAL QG1 4.87
&rst
ixpk= 0, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 225, 226, 227,
&end
#
# 14 GLN H 33 PHE HB2 4.91
&rst
ixpk= 0, nxpk= 0, iat= 202, 489, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 14 GLN H 33 PHE HB3 4.48
&rst
ixpk= 0, nxpk= 0, iat= 202, 490, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 14 GLN H 33 PHE QD 5.56
&rst
ixpk= 0, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 493, 501,
&end
#
# 14 GLN H 34 SER H 5.15
&rst
ixpk= 0, nxpk= 0, iat= 202, 505, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 14 GLN HA 14 GLN HG2 3.68
&rst
ixpk= 0, nxpk= 0, iat= 204, 209, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 14 GLN HA 14 GLN HG3 3.67
&rst
ixpk= 0, nxpk= 0, iat= 204, 210, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 14 GLN HA 14 GLN QB 3.03
&rst
ixpk= 0, nxpk= 0, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr2= 206, 207,
&end
#
# 14 GLN HA 15 VAL HB 5.14
&rst
ixpk= 0, nxpk= 0, iat= 204, 223, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 14 GLN HA 32 SER H 5.43
&rst
ixpk= 0, nxpk= 0, iat= 204, 474, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 14 GLN HG3 15 VAL H 5.01
&rst
ixpk= 0, nxpk= 0, iat= 210, 219, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 14 GLN QB 14 GLN HE21 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 215, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 206, 207,
&end
#
# 14 GLN QB 14 GLN HG3 2.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 210, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
igr1= 206, 207,
&end
#
# 15 VAL H 128 LYS HG3 4.91
&rst
ixpk= 0, nxpk= 0, iat= 219,2013, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 15 VAL H 15 VAL HB 3.71
&rst
ixpk= 0, nxpk= 0, iat= 219, 223, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 15 VAL H 15 VAL QG1 3.41
&rst
ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 225, 226, 227,
&end
#
# 15 VAL H 15 VAL QG2 4.28
&rst
ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 229, 230, 231,
&end
#
# 15 VAL H 16 GLN H 4.74
&rst
ixpk= 0, nxpk= 0, iat= 219, 235, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 15 VAL H 31 CYX HA 5.59
&rst
ixpk= 0, nxpk= 0, iat= 219, 466, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end
#
# 15 VAL HA 15 VAL QG2 3.15
&rst
ixpk= 0, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 229, 230, 231,
&end
#
# 15 VAL HA 16 GLN HA 4.66
&rst
ixpk= 0, nxpk= 0, iat= 221, 237, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 15 VAL HA 16 GLN HB2 5.31
&rst
ixpk= 0, nxpk= 0, iat= 221, 239, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 15 VAL HA 16 GLN HB3 4.90
&rst
ixpk= 0, nxpk= 0, iat= 221, 240, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 15 VAL HB 31 CYX HA 3.99
&rst
ixpk= 0, nxpk= 0, iat= 223, 466, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 15 VAL HB 32 SER H 4.22
&rst
ixpk= 0, nxpk= 0, iat= 223, 474, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 15 VAL HB 50 TRP HZ2 5.27
&rst
ixpk= 0, nxpk= 0, iat= 223, 748, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 15 VAL QG1 128 LYS QE 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 225, 226, 227,
igr2=2018,2019,
&end
#
# 15 VAL QG1 129 GLN H 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1,2027, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 225, 226, 227,
&end
#
# 15 VAL QG1 130 LEU QD2 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 225, 226, 227,
igr2=2057,2058,2059,
&end
#
# 15 VAL QG1 16 GLN H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 235, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 225, 226, 227,
&end
#
# 15 VAL QG1 16 GLN HA 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 237, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 225, 226, 227,
&end
#
# 15 VAL QG1 32 SER H 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 225, 226, 227,
&end
#
# 15 VAL QG2 130 LEU QD2 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 229, 230, 231,
igr2=2057,2058,2059,
&end
#
# 15 VAL QG2 16 GLN H 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 235, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 229, 230, 231,
&end
#
# 15 VAL QG2 16 GLN HA 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 237, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 229, 230, 231,
&end
#
# 15 VAL QG2 16 GLN HB2 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 239, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 229, 230, 231,
&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
#
# 15 VAL QG2 31 CYX H 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 229, 230, 231,
&end
#
# 15 VAL QG2 31 CYX HA 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 229, 230, 231,
&end
#
# 15 VAL QG2 31 CYX HB3 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 469, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 229, 230, 231,
&end
#
# 15 VAL QG2 31 CYX HB2 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 468, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 229, 230, 231,
&end
#
# 15 VAL QG2 32 SER H 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 229, 230, 231,
&end
#
# 15 VAL QG2 93 LEU H 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1392, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1= 229, 230, 231,
&end
#
# 16 GLN H 31 CYX HA 4.56
&rst
ixpk= 0, nxpk= 0, iat= 235, 466, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 16 GLN HA 16 GLN HB3 3.30
&rst
ixpk= 0, nxpk= 0, iat= 237, 240, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 16 GLN HA 17 GLU HA 4.87
&rst
ixpk= 0, nxpk= 0, iat= 237, 254, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 16 GLN HA 17 GLU HB2 5.19
&rst
ixpk= 0, nxpk= 0, iat= 237, 256, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 16 GLN HA 18 LEU H 4.41
&rst
ixpk= 0, nxpk= 0, iat= 237, 267, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 16 GLN HB2 17 GLU H 4.15
&rst
ixpk= 0, nxpk= 0, iat= 239, 252, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 16 GLN HB2 18 LEU H 4.77
&rst
ixpk= 0, nxpk= 0, iat= 239, 267, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 16 GLN HB2 19 VAL QG2 4.10
&rst
ixpk= 0, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 296, 297, 298,
&end
#
# 16 GLN HB3 17 GLU H 4.46
&rst
ixpk= 0, nxpk= 0, iat= 240, 252, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 16 GLN HB3 18 LEU H 4.83
&rst
ixpk= 0, nxpk= 0, iat= 240, 267, 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
#
# 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 QG1 4.75
&rst
ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 292, 293, 294,
&end
#
# 16 GLN HE22 17 GLU H 5.14
&rst
ixpk= 0, nxpk= 0, iat= 247, 252, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 16 GLN HE22 19 VAL QG2 4.30
&rst
ixpk= 0, nxpk= 0, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 296, 297, 298,
&end
#
# 16 GLN HE22 20 THR H 5.16
&rst
ixpk= 0, nxpk= 0, iat= 247, 302, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 16 GLN QG 130 LEU QD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 242, 243,
igr2=2057,2058,2059,
&end
#
# 16 GLN QG 16 GLN HE22 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 247, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 242, 243,
&end
#
# 17 GLU H 17 GLU HB3 4.10
&rst
ixpk= 0, nxpk= 0, iat= 252, 257, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 17 GLU H 18 LEU H 3.22
&rst
ixpk= 0, nxpk= 0, iat= 252, 267, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 17 GLU H 18 LEU HA 5.31
&rst
ixpk= 0, nxpk= 0, iat= 252, 269, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 17 GLU H 19 VAL QG2 5.49
&rst
ixpk= 0, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2= 296, 297, 298,
&end
#
# 17 GLU HB3 18 LEU H 4.23
&rst
ixpk= 0, nxpk= 0, iat= 257, 267, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 17 GLU QG 128 LYS HB2 5.61
&rst
ixpk= 0, nxpk= 0, iat= -1,2009, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 259, 260,
&end
#
# 17 GLU QG 128 LYS HG3 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1,2013, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 259, 260,
&end
#
# 18 LEU H 130 LEU HA 5.31
&rst
ixpk= 0, nxpk= 0, iat= 267,2046, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 18 LEU H 130 LEU QD1 4.47
&rst
ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=2053,2054,2055,
&end
#
# 18 LEU H 131 SER H 4.73
&rst
ixpk= 0, nxpk= 0, iat= 267,2063, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 18 LEU H 18 LEU HB2 4.08
&rst
ixpk= 0, nxpk= 0, iat= 267, 271, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 18 LEU H 18 LEU HG 4.52
&rst
ixpk= 0, nxpk= 0, iat= 267, 274, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 18 LEU H 19 VAL H 4.25
&rst
ixpk= 0, nxpk= 0, iat= 267, 286, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 18 LEU H 19 VAL HA 5.10
&rst
ixpk= 0, nxpk= 0, iat= 267, 288, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 18 LEU H 19 VAL HB 5.80
&rst
ixpk= 0, nxpk= 0, iat= 267, 290, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 18 LEU HA 130 LEU QD1 3.94
&rst
ixpk= 0, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=2053,2054,2055,
&end
#
# 18 LEU HA 131 SER H 3.87
&rst
ixpk= 0, nxpk= 0, iat= 269,2063, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 18 LEU HA 18 LEU HG 3.83
&rst
ixpk= 0, nxpk= 0, iat= 269, 274, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 18 LEU HA 18 LEU QD1 2.96
&rst
ixpk= 0, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 276, 277, 278,
&end
#
# 18 LEU HA 19 VAL HB 4.77
&rst
ixpk= 0, nxpk= 0, iat= 269, 290, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 18 LEU HA 20 THR H 5.80
&rst
ixpk= 0, nxpk= 0, iat= 269, 302, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 18 LEU HB3 19 VAL H 4.96
&rst
ixpk= 0, nxpk= 0, iat= 272, 286, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 18 LEU QD1 131 SER H 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1,2063, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 276, 277, 278,
&end
#
# 18 LEU QD1 131 SER HA 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1,2065, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 276, 277, 278,
&end
#
# 18 LEU QD1 131 SER HB2 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1,2067, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 276, 277, 278,
&end
#
# 18 LEU QD1 132 VAL H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2074, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 276, 277, 278,
&end
#
# 18 LEU QD1 133 PHE H 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1,2090, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 276, 277, 278,
&end
#
# 18 LEU QD1 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= 276, 277, 278,
&end
#
# 18 LEU QD1 133 PHE HB2 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1,2094, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 276, 277, 278,
&end
#
# 18 LEU QD1 19 VAL H 3.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
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 H 131 SER H 4.30
&rst
ixpk= 0, nxpk= 0, iat= 286,2063, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 19 VAL H 131 SER HB2 4.81
&rst
ixpk= 0, nxpk= 0, iat= 286,2067, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 19 VAL H 131 SER HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 286,2068, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 VAL H 19 VAL HB 3.50
&rst
ixpk= 0, nxpk= 0, iat= 286, 290, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 19 VAL H 19 VAL QG2 3.60
&rst
ixpk= 0, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 296, 297, 298,
&end
#
# 19 VAL H 20 THR QG2 5.21
&rst
ixpk= 0, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2= 308, 309, 310,
&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 HB 130 LEU QD2 4.28
&rst
ixpk= 0, nxpk= 0, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=2057,2058,2059,
&end
#
# 19 VAL HB 131 SER H 5.37
&rst
ixpk= 0, nxpk= 0, iat= 290,2063, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 19 VAL QG1 132 VAL HA 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1,2076, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 292, 293, 294,
&end
#
# 19 VAL QG1 133 PHE H 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1,2090, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 292, 293, 294,
&end
#
# 19 VAL QG1 20 THR H 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 292, 293, 294,
&end
#
# 19 VAL QG1 20 THR HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 292, 293, 294,
&end
#
# 19 VAL QG1 93 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 292, 293, 294,
igr2=1405,1406,1407,
&end
#
# 19 VAL QG1 95 ILE HG13 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1433, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1= 292, 293, 294,
&end
#
# 19 VAL QG2 95 ILE QD1 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1= 296, 297, 298,
igr2=1435,1436,1437,
&end
#
# 20 THR H 133 PHE H 5.11
&rst
ixpk= 0, nxpk= 0, iat= 302,2090, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 20 THR H 133 PHE HB2 4.97
&rst
ixpk= 0, nxpk= 0, iat= 302,2094, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 20 THR H 20 THR HB 3.92
&rst
ixpk= 0, nxpk= 0, iat= 302, 306, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 20 THR H 21 VAL H 4.60
&rst
ixpk= 0, nxpk= 0, iat= 302, 316, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 20 THR HA 133 PHE H 3.64
&rst
ixpk= 0, nxpk= 0, iat= 304,2090, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 20 THR HA 133 PHE HA 4.72
&rst
ixpk= 0, nxpk= 0, iat= 304,2092, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 20 THR HA 133 PHE HB3 3.71
&rst
ixpk= 0, nxpk= 0, iat= 304,2095, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 20 THR HA 133 PHE HB2 3.73
&rst
ixpk= 0, nxpk= 0, iat= 304,2094, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 20 THR HA 133 PHE QD 4.63
&rst
ixpk= 0, nxpk= 0, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=2098,2106,
&end
#
# 20 THR HA 20 THR HB 3.21
&rst
ixpk= 0, nxpk= 0, iat= 304, 306, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 20 THR HA 21 VAL HB 5.26
&rst
ixpk= 0, nxpk= 0, iat= 304, 320, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 20 THR HB 133 PHE H 5.78
&rst
ixpk= 0, nxpk= 0, iat= 306,2090, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 20 THR HB 133 PHE HB3 4.27
&rst
ixpk= 0, nxpk= 0, iat= 306,2095, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 20 THR HB 133 PHE HB2 4.73
&rst
ixpk= 0, nxpk= 0, iat= 306,2094, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 20 THR HB 134 VAL HA 5.80
&rst
ixpk= 0, nxpk= 0, iat= 306,2112, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 20 THR HB 21 VAL H 4.05
&rst
ixpk= 0, nxpk= 0, iat= 306, 316, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 20 THR QG2 133 PHE H 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1,2090, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 308, 309, 310,
&end
#
# 21 VAL H 133 PHE H 4.03
&rst
ixpk= 0, nxpk= 0, iat= 316,2090, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 21 VAL H 133 PHE HB2 4.55
&rst
ixpk= 0, nxpk= 0, iat= 316,2094, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 21 VAL H 133 PHE QD 5.79
&rst
ixpk= 0, nxpk= 0, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2=2098,2106,
&end
#
# 21 VAL H 134 VAL H 5.10
&rst
ixpk= 0, nxpk= 0, iat= 316,2110, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &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 4.82
&rst
ixpk= 0, nxpk= 0, iat= 316, 332, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 21 VAL HA 21 VAL QG1 3.52
&rst
ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 322, 323, 324,
&end
#
# 21 VAL HB 22 GLN H 4.67
&rst
ixpk= 0, nxpk= 0, iat= 320, 332, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 21 VAL HB 98 ALA QB 4.44
&rst
ixpk= 0, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=1481,1482,1483,
&end
#
# 21 VAL QG1 24 GLY H 5.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 322, 323, 324,
&end
#
# 21 VAL QG1 98 ALA H 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 322, 323, 324,
&end
#
# 21 VAL QG1 99 ARG H 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1487, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 322, 323, 324,
&end
#
# 21 VAL QG2 22 GLN H 3.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 332, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 326, 327, 328,
&end
#
# 21 VAL QG2 25 LEU H 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 326, 327, 328,
&end
#
# 21 VAL QG2 25 LEU HB3 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 376, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 326, 327, 328,
&end
#
# 21 VAL QG2 26 SER H 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 326, 327, 328,
&end
#
# 22 GLN H 22 GLN HG3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 332, 340, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 22 GLN H 22 GLN HG2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 332, 339, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 GLN H 25 LEU QD1 3.38
&rst
ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 380, 381, 382,
&end
#
# 22 GLN HA 135 THR H 3.47
&rst
ixpk= 0, nxpk= 0, iat= 334,2126, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 22 GLN HA 22 GLN HG3 3.53
&rst
ixpk= 0, nxpk= 0, iat= 334, 340, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 22 GLN HA 22 GLN QB 3.21
&rst
ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 336, 337,
&end
#
# 22 GLN HE21 137 LEU H 4.96
&rst
ixpk= 0, nxpk= 0, iat= 345,2150, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 22 GLN HE21 25 LEU QD1 4.06
&rst
ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 380, 381, 382,
&end
#
# 22 GLN HG3 134 VAL QG1 5.20
&rst
ixpk= 0, nxpk= 0, iat= 340, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2=2116,2117,2118,
&end
#
# 22 GLN HG3 135 THR QG2 4.04
&rst
ixpk= 0, nxpk= 0, iat= 340, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=2132,2133,2134,
&end
#
# 22 GLN HG3 136 ALA HA 5.29
&rst
ixpk= 0, nxpk= 0, iat= 340,2142, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 22 GLN HG3 136 ALA QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 340, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr2=2144,2145,2146,
&end
#
# 22 GLN HG3 23 GLU H 3.63
&rst
ixpk= 0, nxpk= 0, iat= 340, 349, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 22 GLN HG3 23 GLU HA 4.77
&rst
ixpk= 0, nxpk= 0, iat= 340, 351, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 22 GLN HG3 25 LEU H 5.04
&rst
ixpk= 0, nxpk= 0, iat= 340, 371, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 22 GLN HG3 25 LEU QD1 4.48
&rst
ixpk= 0, nxpk= 0, iat= 340, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 380, 381, 382,
&end
#
# 22 GLN HG2 22 GLN HE21 3.85
&rst
ixpk= 0, nxpk= 0, iat= 339, 345, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 22 GLN HG2 23 GLU H 3.64
&rst
ixpk= 0, nxpk= 0, iat= 339, 349, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 22 GLN QB 22 GLN HG3 3.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr1= 336, 337,
&end
#
# 23 GLU H 134 VAL QG1 3.58
&rst
ixpk= 0, nxpk= 0, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=2116,2117,2118,
&end
#
# 23 GLU H 136 ALA HA 3.87
&rst
ixpk= 0, nxpk= 0, iat= 349,2142, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 23 GLU H 136 ALA QB 4.79
&rst
ixpk= 0, nxpk= 0, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=2144,2145,2146,
&end
#
# 23 GLU H 137 LEU HA 5.01
&rst
ixpk= 0, nxpk= 0, iat= 349,2152, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 23 GLU H 23 GLU HG3 5.02
&rst
ixpk= 0, nxpk= 0, iat= 349, 357, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 23 GLU H 24 GLY H 4.78
&rst
ixpk= 0, nxpk= 0, iat= 349, 364, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 23 GLU HA 134 VAL HA 4.91
&rst
ixpk= 0, nxpk= 0, iat= 351,2112, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 23 GLU HA 135 THR H 4.96
&rst
ixpk= 0, nxpk= 0, iat= 351,2126, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 23 GLU HA 136 ALA HA 5.13
&rst
ixpk= 0, nxpk= 0, iat= 351,2142, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &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 HA3 4.70
&rst
ixpk= 0, nxpk= 0, iat= 351, 367, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 23 GLU HA 25 LEU H 4.21
&rst
ixpk= 0, nxpk= 0, iat= 351, 371, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 23 GLU HA 98 ALA H 4.73
&rst
ixpk= 0, nxpk= 0, iat= 351,1477, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 23 GLU HA 98 ALA QB 3.48
&rst
ixpk= 0, nxpk= 0, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=1481,1482,1483,
&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 HG3 136 ALA HA 5.41
&rst
ixpk= 0, nxpk= 0, iat= 357,2142, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 23 GLU HG3 24 GLY H 3.93
&rst
ixpk= 0, nxpk= 0, iat= 357, 364, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 23 GLU HG3 24 GLY HA2 5.21
&rst
ixpk= 0, nxpk= 0, iat= 357, 366, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 24 GLY H 134 VAL QG1 4.33
&rst
ixpk= 0, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=2116,2117,2118,
&end
#
# 24 GLY H 97 ASP H 5.47
&rst
ixpk= 0, nxpk= 0, iat= 364,1465, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 24 GLY H 98 ALA H 3.87
&rst
ixpk= 0, nxpk= 0, iat= 364,1477, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 24 GLY H 98 ALA QB 3.44
&rst
ixpk= 0, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1481,1482,1483,
&end
#
# 24 GLY HA3 98 ALA QB 5.67
&rst
ixpk= 0, nxpk= 0, iat= 367, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=1481,1482,1483,
&end
#
# 25 LEU H 25 LEU HB2 3.98
&rst
ixpk= 0, nxpk= 0, iat= 371, 375, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 25 LEU H 25 LEU QD1 4.04
&rst
ixpk= 0, nxpk= 0, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 380, 381, 382,
&end
#
# 25 LEU H 98 ALA QB 4.12
&rst
ixpk= 0, nxpk= 0, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1481,1482,1483,
&end
#
# 25 LEU HB3 26 SER H 4.04
&rst
ixpk= 0, nxpk= 0, iat= 376, 390, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 25 LEU HG 26 SER H 3.84
&rst
ixpk= 0, nxpk= 0, iat= 378, 390, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 25 LEU HG 98 ALA H 5.76
&rst
ixpk= 0, nxpk= 0, iat= 378,1477, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end
#
# 25 LEU QD1 26 SER H 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 380, 381, 382,
&end
#
# 25 LEU QD2 26 SER H 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 384, 385, 386,
&end
#
# 25 LEU QD2 26 SER HB2 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1= 384, 385, 386,
&end
#
# 25 LEU QD2 98 ALA H 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 384, 385, 386,
&end
#
# 26 SER H 26 SER HB2 3.89
&rst
ixpk= 0, nxpk= 0, iat= 390, 394, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 26 SER H 27 VAL H 4.95
&rst
ixpk= 0, nxpk= 0, iat= 390, 401, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 26 SER H 97 ASP H 4.87
&rst
ixpk= 0, nxpk= 0, iat= 390,1465, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 26 SER H 98 ALA H 5.57
&rst
ixpk= 0, nxpk= 0, iat= 390,1477, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 26 SER H 98 ALA QB 5.67
&rst
ixpk= 0, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=1481,1482,1483,
&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 HA 96 ARG H 5.10
&rst
ixpk= 0, nxpk= 0, iat= 392,1441, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 26 SER HA 97 ASP H 3.81
&rst
ixpk= 0, nxpk= 0, iat= 392,1465, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 26 SER HA 98 ALA H 4.23
&rst
ixpk= 0, nxpk= 0, iat= 392,1477, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 26 SER HB2 27 VAL H 3.44
&rst
ixpk= 0, nxpk= 0, iat= 394, 401, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 26 SER HB2 27 VAL HA 4.72
&rst
ixpk= 0, nxpk= 0, iat= 394, 403, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 26 SER HB2 27 VAL QG2 5.80
&rst
ixpk= 0, nxpk= 0, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2= 411, 412, 413,
&end
#
# 27 VAL H 27 VAL HB 3.96
&rst
ixpk= 0, nxpk= 0, iat= 401, 405, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 27 VAL H 27 VAL QG1 3.26
&rst
ixpk= 0, nxpk= 0, iat= 401, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 407, 408, 409,
&end
#
# 27 VAL H 27 VAL QG2 4.31
&rst
ixpk= 0, nxpk= 0, iat= 401, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 411, 412, 413,
&end
#
# 27 VAL H 28 HIS H 4.85
&rst
ixpk= 0, nxpk= 0, iat= 401, 417, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 27 VAL H 28 HIS QB 5.67
&rst
ixpk= 0, nxpk= 0, iat= 401, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2= 421, 422,
&end
#
# 27 VAL H 95 ILE H 3.73
&rst
ixpk= 0, nxpk= 0, iat= 401,1422, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 27 VAL H 95 ILE HA 5.16
&rst
ixpk= 0, nxpk= 0, iat= 401,1424, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 27 VAL H 95 ILE HB 3.91
&rst
ixpk= 0, nxpk= 0, iat= 401,1426, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 27 VAL H 95 ILE QG2 4.21
&rst
ixpk= 0, nxpk= 0, iat= 401, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1428,1429,1430,
&end
#
# 27 VAL H 96 ARG H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 401,1441, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 VAL H 96 ARG QB 5.80
&rst
ixpk= 0, nxpk= 0, iat= 401, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=1445,1446,
&end
#
# 27 VAL HA 27 VAL QG2 2.88
&rst
ixpk= 0, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2= 411, 412, 413,
&end
#
# 27 VAL HA 28 HIS HA 4.84
&rst
ixpk= 0, nxpk= 0, iat= 403, 419, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 27 VAL HA 28 HIS QB 4.36
&rst
ixpk= 0, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 421, 422,
&end
#
# 27 VAL HB 28 HIS H 4.29
&rst
ixpk= 0, nxpk= 0, iat= 405, 417, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 27 VAL HB 95 ILE H 5.38
&rst
ixpk= 0, nxpk= 0, iat= 405,1422, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 27 VAL QG1 28 HIS H 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 417, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 407, 408, 409,
&end
#
# 27 VAL QG1 93 LEU QD2 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
igr1= 407, 408, 409,
igr2=1405,1406,1407,
&end
#
# 27 VAL QG1 95 ILE H 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1422, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 407, 408, 409,
&end
#
# 27 VAL QG1 95 ILE HG13 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1433, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 407, 408, 409,
&end
#
# 27 VAL QG1 95 ILE QG2 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 407, 408, 409,
igr2=1428,1429,1430,
&end
#
# 27 VAL QG1 96 ARG HA 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1443, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 407, 408, 409,
&end
#
# 27 VAL QG2 28 HIS H 3.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 417, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 411, 412, 413,
&end
#
# 27 VAL QG2 28 HIS QB 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 411, 412, 413,
igr2= 421, 422,
&end
#
# 27 VAL QG2 95 ILE H 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1,1422, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 411, 412, 413,
&end
#
# 28 HIS H 29 VAL H 4.72
&rst
ixpk= 0, nxpk= 0, iat= 417, 434, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 28 HIS HA 95 ILE H 4.13
&rst
ixpk= 0, nxpk= 0, iat= 419,1422, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 28 HIS HD2 30 PRO HG2 5.16
&rst
ixpk= 0, nxpk= 0, iat= 430, 454, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 28 HIS HD2 94 SER HA 5.80
&rst
ixpk= 0, nxpk= 0, iat= 430,1413, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 28 HIS HD2 94 SER QB 5.80
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=1415,1416,
&end
#
# 28 HIS QB 29 VAL H 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 421, 422,
&end
#
# 28 HIS QB 29 VAL QG2 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 421, 422,
igr2= 444, 445, 446,
&end
#
# 28 HIS QB 83 LEU QD2 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 421, 422,
igr2=1266,1267,1268,
&end
#
# 28 HIS QB 95 ILE H 5.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1422, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 421, 422,
&end
#
# 29 VAL H 130 LEU QD2 5.80
&rst
ixpk= 0, nxpk= 0, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=2057,2058,2059,
&end
#
# 29 VAL H 29 VAL QG1 4.27
&rst
ixpk= 0, nxpk= 0, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 440, 441, 442,
&end
#
# 29 VAL H 93 LEU H 4.09
&rst
ixpk= 0, nxpk= 0, iat= 434,1392, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 29 VAL H 95 ILE H 5.06
&rst
ixpk= 0, nxpk= 0, iat= 434,1422, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 29 VAL HA 130 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 436, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2057,2058,2059,
&end
#
# 29 VAL HA 29 VAL QG1 3.29
&rst
ixpk= 0, nxpk= 0, iat= 436, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 440, 441, 442,
&end
#
# 29 VAL HA 29 VAL QG2 3.29
&rst
ixpk= 0, nxpk= 0, iat= 436, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 444, 445, 446,
&end
#
# 29 VAL HA 30 PRO HD2 3.47
&rst
ixpk= 0, nxpk= 0, iat= 436, 451, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 29 VAL HA 30 PRO HD3 3.48
&rst
ixpk= 0, nxpk= 0, iat= 436, 452, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 29 VAL HA 30 PRO HG3 4.79
&rst
ixpk= 0, nxpk= 0, iat= 436, 455, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 29 VAL HA 30 PRO HG2 4.45
&rst
ixpk= 0, nxpk= 0, iat= 436, 454, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 29 VAL HA 93 LEU H 5.52
&rst
ixpk= 0, nxpk= 0, iat= 436,1392, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 29 VAL HB 130 LEU QD2 4.72
&rst
ixpk= 0, nxpk= 0, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2057,2058,2059,
&end
#
# 29 VAL HB 93 LEU HG 4.75
&rst
ixpk= 0, nxpk= 0, iat= 438,1399, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 29 VAL HB 93 LEU QD1 5.52
&rst
ixpk= 0, nxpk= 0, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr2=1401,1402,1403,
&end
#
# 29 VAL QG1 30 PRO HD2 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 440, 441, 442,
&end
#
# 29 VAL QG1 30 PRO HD3 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 440, 441, 442,
&end
#
# 29 VAL QG1 31 CYX HA 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 440, 441, 442,
&end
#
# 29 VAL QG1 93 LEU QD2 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 440, 441, 442,
igr2=1405,1406,1407,
&end
#
# 29 VAL QG2 93 LEU H 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1392, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 444, 445, 446,
&end
#
# 2 GLU HB2 2 GLU QG 2.95
&rst
ixpk= 0, nxpk= 0, iat= 25, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr2= 28, 29,
&end
#
# 31 CYX H 31 CYX HB3 4.10
&rst
ixpk= 0, nxpk= 0, iat= 464, 469, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 31 CYX H 32 SER H 4.99
&rst
ixpk= 0, nxpk= 0, iat= 464, 474, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 31 CYX H 92 SER H 4.49
&rst
ixpk= 0, nxpk= 0, iat= 464,1381, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 31 CYX HA 92 SER H 5.80
&rst
ixpk= 0, nxpk= 0, iat= 466,1381, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 31 CYX HA 93 LEU H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 466,1392, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 31 CYX HB3 92 SER H 4.79
&rst
ixpk= 0, nxpk= 0, iat= 469,1381, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 31 CYX HB3 93 LEU H 4.10
&rst
ixpk= 0, nxpk= 0, iat= 469,1392, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 31 CYX HB2 50 TRP HZ2 4.88
&rst
ixpk= 0, nxpk= 0, iat= 468, 748, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 31 CYX HB2 93 LEU H 4.59
&rst
ixpk= 0, nxpk= 0, iat= 468,1392, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 32 SER H 33 PHE H 4.76
&rst
ixpk= 0, nxpk= 0, iat= 474, 485, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 33 PHE H 34 SER H 4.67
&rst
ixpk= 0, nxpk= 0, iat= 485, 505, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 33 PHE H 90 ASP H 5.80
&rst
ixpk= 0, nxpk= 0, iat= 485,1359, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 33 PHE H 91 CYX H 4.40
&rst
ixpk= 0, nxpk= 0, iat= 485,1371, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 33 PHE HB2 34 SER H 3.78
&rst
ixpk= 0, nxpk= 0, iat= 489, 505, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 33 PHE HB3 34 SER H 4.30
&rst
ixpk= 0, nxpk= 0, iat= 490, 505, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 33 PHE QD 34 SER H 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 505, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 493, 501,
&end
#
# 34 SER H 34 SER QB 3.72
&rst
ixpk= 0, nxpk= 0, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 509, 510,
&end
#
# 34 SER HA 34 SER QB 3.23
&rst
ixpk= 0, nxpk= 0, iat= 507, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 509, 510,
&end
#
# 34 SER QB 89 ASN HD22 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1354, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 509, 510,
&end
#
# 35 TYR HB2 110 LEU QD2 5.21
&rst
ixpk= 0, nxpk= 0, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2=1707,1708,1709,
&end
#
# 35 TYR QD 110 LEU QD2 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 524, 533,
igr2=1707,1708,1709,
&end
#
# 35 TYR QE 110 LEU QD2 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 526, 531,
igr2=1707,1708,1709,
&end
#
# 35 TYR QE 115 MET QE 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 526, 531,
igr2=1781,1782,1783,
&end
#
# 36 PRO HD2 115 MET QE 5.14
&rst
ixpk= 0, nxpk= 0, iat= 538, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1781,1782,1783,
&end
#
# 37 GLN HA 37 GLN HG2 4.01
&rst
ixpk= 0, nxpk= 0, iat= 553, 558, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 37 GLN HA 37 GLN HG3 4.28
&rst
ixpk= 0, nxpk= 0, iat= 553, 559, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 37 GLN HB2 38 ASP H 4.98
&rst
ixpk= 0, nxpk= 0, iat= 555, 568, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 37 GLN HG2 40 TRP HZ2 4.96
&rst
ixpk= 0, nxpk= 0, iat= 558, 600, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 37 GLN HG3 40 TRP HZ2 5.18
&rst
ixpk= 0, nxpk= 0, iat= 559, 600, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 38 ASP H 38 ASP HB3 3.74
&rst
ixpk= 0, nxpk= 0, iat= 568, 573, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 38 ASP H 39 GLY H 4.63
&rst
ixpk= 0, nxpk= 0, iat= 568, 580, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 38 ASP H 39 GLY HA3 5.49
&rst
ixpk= 0, nxpk= 0, iat= 568, 583, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 38 ASP HA 38 ASP HB3 3.24
&rst
ixpk= 0, nxpk= 0, iat= 570, 573, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 38 ASP HA 39 GLY HA3 4.81
&rst
ixpk= 0, nxpk= 0, iat= 570, 583, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 40 TRP H 115 MET QE 5.30
&rst
ixpk= 0, nxpk= 0, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2=1781,1782,1783,
&end
#
# 40 TRP H 40 TRP HE3 5.28
&rst
ixpk= 0, nxpk= 0, iat= 587, 606, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 40 TRP H 40 TRP QB 3.73
&rst
ixpk= 0, nxpk= 0, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 591, 592,
&end
#
# 40 TRP HA 40 TRP HE3 4.57
&rst
ixpk= 0, nxpk= 0, iat= 589, 606, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 40 TRP HD1 114 SER H 5.80
&rst
ixpk= 0, nxpk= 0, iat= 595,1759, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 40 TRP HE3 41 THR HB 5.33
&rst
ixpk= 0, nxpk= 0, iat= 606, 615, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 40 TRP HE3 42 ASP H 4.45
&rst
ixpk= 0, nxpk= 0, iat= 606, 625, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 40 TRP HE3 44 ASP H 4.53
&rst
ixpk= 0, nxpk= 0, iat= 606, 648, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 40 TRP QB 44 ASP H 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 648, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 591, 592,
&end
#
# 41 THR H 41 THR HB 4.21
&rst
ixpk= 0, nxpk= 0, iat= 611, 615, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 41 THR H 41 THR QG2 3.52
&rst
ixpk= 0, nxpk= 0, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 617, 618, 619,
&end
#
# 41 THR H 42 ASP H 4.90
&rst
ixpk= 0, nxpk= 0, iat= 611, 625, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 41 THR H 44 ASP HB3 4.43
&rst
ixpk= 0, nxpk= 0, iat= 611, 653, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 41 THR HA 41 THR QG2 3.47
&rst
ixpk= 0, nxpk= 0, iat= 613, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2= 617, 618, 619,
&end
#
# 41 THR QG2 42 ASP H 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 617, 618, 619,
&end
#
# 41 THR QG2 43 SER HB2 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 641, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 617, 618, 619,
&end
#
# 42 ASP H 43 SER H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 625, 637, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 44 ASP H 112 ARG HE 5.17
&rst
ixpk= 0, nxpk= 0, iat= 648,1741, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 44 ASP H 44 ASP HB3 3.98
&rst
ixpk= 0, nxpk= 0, iat= 648, 653, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 44 ASP H 45 PRO HD3 4.85
&rst
ixpk= 0, nxpk= 0, iat= 648, 662, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 46 VAL QG2 112 ARG HE 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1741, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 684, 685, 686,
&end
#
# 46 VAL QG2 88 SER H 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1,1334, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 684, 685, 686,
&end
#
# 47 HIS H 48 GLY H 5.15
&rst
ixpk= 0, nxpk= 0, iat= 690, 707, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 47 HIS HD2 48 GLY H 4.36
&rst
ixpk= 0, nxpk= 0, iat= 703, 707, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 48 GLY H 86 ILE QG2 4.91
&rst
ixpk= 0, nxpk= 0, iat= 707, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=1297,1298,1299,
&end
#
# 49 TYR HB2 111 GLU H 5.80
&rst
ixpk= 0, nxpk= 0, iat= 718,1713, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 49 TYR HB3 109 ARG H 5.15
&rst
ixpk= 0, nxpk= 0, iat= 719,1670, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 49 TYR QE 111 GLU H 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1713, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 724, 729,
&end
#
# 49 TYR QE 67 ASN HD21 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1008, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 724, 729,
&end
#
# 50 TRP H 50 TRP HB2 3.97
&rst
ixpk= 0, nxpk= 0, iat= 735, 739, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 50 TRP H 62 PRO HA 4.78
&rst
ixpk= 0, nxpk= 0, iat= 735, 940, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 50 TRP H 63 VAL H 5.08
&rst
ixpk= 0, nxpk= 0, iat= 735, 944, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 50 TRP H 63 VAL QG2 4.28
&rst
ixpk= 0, nxpk= 0, iat= 735, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 954, 955, 956,
&end
#
# 50 TRP H 64 ALA H 3.92
&rst
ixpk= 0, nxpk= 0, iat= 735, 960, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 50 TRP H 65 THR H 5.36
&rst
ixpk= 0, nxpk= 0, iat= 735, 970, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 50 TRP HA 107 PHE H 5.13
&rst
ixpk= 0, nxpk= 0, iat= 737,1630, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 50 TRP HA 64 ALA H 5.24
&rst
ixpk= 0, nxpk= 0, iat= 737, 960, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 50 TRP HB2 50 TRP HD1 4.03
&rst
ixpk= 0, nxpk= 0, iat= 739, 743, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 50 TRP HB2 51 PHE H 4.66
&rst
ixpk= 0, nxpk= 0, iat= 739, 759, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 50 TRP HB2 63 VAL QG2 3.77
&rst
ixpk= 0, nxpk= 0, iat= 739, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 954, 955, 956,
&end
#
# 50 TRP HB2 64 ALA H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 739, 960, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 50 TRP HB3 51 PHE H 4.27
&rst
ixpk= 0, nxpk= 0, iat= 740, 759, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 50 TRP HB3 63 VAL QG2 3.76
&rst
ixpk= 0, nxpk= 0, iat= 740, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 954, 955, 956,
&end
#
# 50 TRP HB3 64 ALA H 4.41
&rst
ixpk= 0, nxpk= 0, iat= 740, 960, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 50 TRP HD1 93 LEU QD1 3.35
&rst
ixpk= 0, nxpk= 0, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1401,1402,1403,
&end
#
# 50 TRP HD1 93 LEU QD2 4.12
&rst
ixpk= 0, nxpk= 0, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1405,1406,1407,
&end
#
# 50 TRP HE1 64 ALA QB 5.11
&rst
ixpk= 0, nxpk= 0, iat= 745, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2= 964, 965, 966,
&end
#
# 50 TRP HE1 93 LEU QD2 4.27
&rst
ixpk= 0, nxpk= 0, iat= 745, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1405,1406,1407,
&end
#
# 50 TRP HE3 106 TYR QD 4.04
&rst
ixpk= 0, nxpk= 0, iat= 754, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1617,1626,
&end
#
# 50 TRP HH2 130 LEU QD2 3.62
&rst
ixpk= 0, nxpk= 0, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2=2057,2058,2059,
&end
#
# 50 TRP HZ2 130 LEU HB2 5.63
&rst
ixpk= 0, nxpk= 0, iat= 748,2048, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 50 TRP HZ2 93 LEU H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 748,1392, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &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 HZ3 106 TYR H 5.68
&rst
ixpk= 0, nxpk= 0, iat= 752,1609, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 50 TRP HZ3 107 PHE H 4.46
&rst
ixpk= 0, nxpk= 0, iat= 752,1630, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 50 TRP HZ3 130 LEU HG 5.07
&rst
ixpk= 0, nxpk= 0, iat= 752,2051, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 51 PHE H 106 TYR HA 5.09
&rst
ixpk= 0, nxpk= 0, iat= 759,1611, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 51 PHE H 107 PHE H 3.99
&rst
ixpk= 0, nxpk= 0, iat= 759,1630, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 51 PHE H 107 PHE QE 5.41
&rst
ixpk= 0, nxpk= 0, iat= 759, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1640,1644,
&end
#
# 51 PHE H 109 ARG H 5.54
&rst
ixpk= 0, nxpk= 0, iat= 759,1670, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 51 PHE H 52 ARG H 4.85
&rst
ixpk= 0, nxpk= 0, iat= 759, 779, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 51 PHE H 52 ARG HA 5.16
&rst
ixpk= 0, nxpk= 0, iat= 759, 781, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 51 PHE H 63 VAL H 5.42
&rst
ixpk= 0, nxpk= 0, iat= 759, 944, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 51 PHE H 63 VAL QG1 5.43
&rst
ixpk= 0, nxpk= 0, iat= 759, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 950, 951, 952,
&end
#
# 51 PHE H 63 VAL QG2 4.54
&rst
ixpk= 0, nxpk= 0, iat= 759, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2= 954, 955, 956,
&end
#
# 51 PHE HB2 52 ARG H 4.83
&rst
ixpk= 0, nxpk= 0, iat= 763, 779, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 52 ARG HA 106 TYR H 5.38
&rst
ixpk= 0, nxpk= 0, iat= 781,1609, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 52 ARG HA 106 TYR QD 3.72
&rst
ixpk= 0, nxpk= 0, iat= 781, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=1617,1626,
&end
#
# 52 ARG HA 107 PHE H 4.10
&rst
ixpk= 0, nxpk= 0, iat= 781,1630, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 52 ARG HB2 52 ARG QD 4.10
&rst
ixpk= 0, nxpk= 0, iat= 783, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 789, 790,
&end
#
# 52 ARG HB2 53 ALA H 4.48
&rst
ixpk= 0, nxpk= 0, iat= 783, 803, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 52 ARG HG2 53 ALA H 5.12
&rst
ixpk= 0, nxpk= 0, iat= 786, 803, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 52 ARG QD 106 TYR QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 789, 790,
igr2=1617,1626,
&end
#
# 52 ARG QD 106 TYR QE 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 789, 790,
igr2=1619,1624,
&end
#
# 52 ARG QD 53 ALA H 5.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 803, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1= 789, 790,
&end
#
# 52 ARG QD 63 VAL QG1 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 789, 790,
igr2= 950, 951, 952,
&end
#
# 53 ALA H 105 SER H 4.55
&rst
ixpk= 0, nxpk= 0, iat= 803,1598, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 53 ALA H 105 SER HB2 5.60
&rst
ixpk= 0, nxpk= 0, iat= 803,1602, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 53 ALA H 105 SER HB3 5.02
&rst
ixpk= 0, nxpk= 0, iat= 803,1603, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 53 ALA H 106 TYR HA 3.61
&rst
ixpk= 0, nxpk= 0, iat= 803,1611, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 53 ALA H 106 TYR QE 5.67
&rst
ixpk= 0, nxpk= 0, iat= 803, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2=1619,1624,
&end
#
# 53 ALA H 53 ALA QB 3.09
&rst
ixpk= 0, nxpk= 0, iat= 803, -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr2= 807, 808, 809,
&end
#
# 53 ALA HA 106 TYR HA 5.20
&rst
ixpk= 0, nxpk= 0, iat= 805,1611, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 53 ALA HA 107 PHE QE 3.75
&rst
ixpk= 0, nxpk= 0, iat= 805, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2=1640,1644,
&end
#
# 53 ALA QB 105 SER HA 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1600, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 807, 808, 809,
&end
#
# 53 ALA QB 105 SER HB2 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 807, 808, 809,
&end
#
# 53 ALA QB 105 SER HB3 3.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1603, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1= 807, 808, 809,
&end
#
# 53 ALA QB 106 TYR H 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1609, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 807, 808, 809,
&end
#
# 53 ALA QB 106 TYR HA 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1611, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 807, 808, 809,
&end
#
# 56 ARG H 56 ARG HD3 4.83
&rst
ixpk= 0, nxpk= 0, iat= 832, 843, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 56 ARG H 56 ARG HD2 4.94
&rst
ixpk= 0, nxpk= 0, iat= 832, 842, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 56 ARG HA 56 ARG QG 4.21
&rst
ixpk= 0, nxpk= 0, iat= 834, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 839, 840,
&end
#
# 58 TYR HA 58 TYR QE 5.34
&rst
ixpk= 0, nxpk= 0, iat= 872, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 880, 885,
&end
#
# 59 GLN HA 59 GLN QG 3.78
&rst
ixpk= 0, nxpk= 0, iat= 893, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 898, 899,
&end
#
# 59 GLN HB2 59 GLN QG 2.98
&rst
ixpk= 0, nxpk= 0, iat= 895, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2= 898, 899,
&end
#
# 59 GLN HB3 59 GLN QG 2.98
&rst
ixpk= 0, nxpk= 0, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2= 898, 899,
&end
#
# 5 ARG HA 5 ARG HB2 3.04
&rst
ixpk= 0, nxpk= 0, iat= 57, 59, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 5 ARG HB2 9 ASP HB2 4.30
&rst
ixpk= 0, nxpk= 0, iat= 59, 128, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 5 ARG HB2 9 ASP HB3 4.25
&rst
ixpk= 0, nxpk= 0, iat= 59, 129, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 5 ARG HB3 9 ASP HB2 4.80
&rst
ixpk= 0, nxpk= 0, iat= 60, 128, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 60 ASP HA 73 GLN HE21 5.06
&rst
ixpk= 0, nxpk= 0, iat= 910,1106, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 61 ALA H 73 GLN H 5.80
&rst
ixpk= 0, nxpk= 0, iat= 920,1093, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 61 ALA H 73 GLN HA 5.11
&rst
ixpk= 0, nxpk= 0, iat= 920,1095, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 61 ALA QB 73 GLN H 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1,1093, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 924, 925, 926,
&end
#
# 61 ALA QB 73 GLN HE21 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1106, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 924, 925, 926,
&end
#
# 61 ALA QB 73 GLN HE22 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1105, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 924, 925, 926,
&end
#
# 61 ALA QB 73 GLN HG3 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1,1101, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 924, 925, 926,
&end
#
# 61 ALA QB 74 ALA H 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1110, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 924, 925, 926,
&end
#
# 63 VAL H 63 VAL QG1 3.90
&rst
ixpk= 0, nxpk= 0, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 950, 951, 952,
&end
#
# 63 VAL H 63 VAL QG2 3.57
&rst
ixpk= 0, nxpk= 0, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 954, 955, 956,
&end
#
# 63 VAL H 64 ALA QB 5.09
&rst
ixpk= 0, nxpk= 0, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 964, 965, 966,
&end
#
# 63 VAL HA 63 VAL QG1 3.31
&rst
ixpk= 0, nxpk= 0, iat= 946, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 950, 951, 952,
&end
#
# 63 VAL HA 63 VAL QG2 3.71
&rst
ixpk= 0, nxpk= 0, iat= 946, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 954, 955, 956,
&end
#
# 63 VAL HA 73 GLN HA 5.30
&rst
ixpk= 0, nxpk= 0, iat= 946,1095, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 63 VAL HA 73 GLN HE21 5.64
&rst
ixpk= 0, nxpk= 0, iat= 946,1106, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 63 VAL HA 76 THR HB 4.31
&rst
ixpk= 0, nxpk= 0, iat= 946,1139, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 63 VAL HB 64 ALA QB 3.96
&rst
ixpk= 0, nxpk= 0, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 964, 965, 966,
&end
#
# 63 VAL HB 93 LEU QD2 5.32
&rst
ixpk= 0, nxpk= 0, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2=1405,1406,1407,
&end
#
# 63 VAL QG1 106 TYR HH 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1622, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 950, 951, 952,
&end
#
# 63 VAL QG1 73 GLN H 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1,1093, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 950, 951, 952,
&end
#
# 63 VAL QG1 76 THR QG2 2.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 950, 951, 952,
igr2=1141,1142,1143,
&end
#
# 63 VAL QG2 106 TYR QD 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 954, 955, 956,
igr2=1617,1626,
&end
#
# 63 VAL QG2 80 PHE QE 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 954, 955, 956,
igr2=1207,1211,
&end
#
# 63 VAL QG2 93 LEU QD2 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 954, 955, 956,
igr2=1405,1406,1407,
&end
#
# 64 ALA H 64 ALA QB 3.60
&rst
ixpk= 0, nxpk= 0, iat= 960, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 964, 965, 966,
&end
#
# 64 ALA H 65 THR H 4.51
&rst
ixpk= 0, nxpk= 0, iat= 960, 970, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 64 ALA QB 65 THR HB 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 974, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 964, 965, 966,
&end
#
# 64 ALA QB 76 THR HB 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1139, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 964, 965, 966,
&end
#
# 64 ALA QB 76 THR QG2 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 964, 965, 966,
igr2=1141,1142,1143,
&end
#
# 64 ALA QB 80 PHE H 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1197, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 964, 965, 966,
&end
#
# 64 ALA QB 80 PHE HB2 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1201, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 964, 965, 966,
&end
#
# 64 ALA QB 80 PHE HB3 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1,1202, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
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 3.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 964, 965, 966,
igr2=1401,1402,1403,
&end
#
# 64 ALA QB 93 LEU QD2 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 964, 965, 966,
igr2=1405,1406,1407,
&end
#
# 64 ALA QB 95 ILE QD1 5.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.28, r4= 8.78,
igr1= 964, 965, 966,
igr2=1435,1436,1437,
&end
#
# 65 THR H 65 THR HB 4.08
&rst
ixpk= 0, nxpk= 0, iat= 970, 974, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 65 THR H 67 ASN H 5.07
&rst
ixpk= 0, nxpk= 0, iat= 970, 998, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 65 THR HB 66 ASN H 4.66
&rst
ixpk= 0, nxpk= 0, iat= 974, 984, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 65 THR QG2 66 ASN HA 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 986, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 976, 977, 978,
&end
#
# 65 THR QG2 67 ASN HD21 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1008, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 976, 977, 978,
&end
#
# 65 THR QG2 70 ARG H 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1038, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 976, 977, 978,
&end
#
# 65 THR QG2 70 ARG HB2 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1042, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 976, 977, 978,
&end
#
# 65 THR QG2 70 ARG HD2 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1048, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 976, 977, 978,
&end
#
# 65 THR QG2 72 VAL H 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 976, 977, 978,
&end
#
# 66 ASN HA 66 ASN HB2 3.32
&rst
ixpk= 0, nxpk= 0, iat= 986, 988, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 67 ASN H 67 ASN HD21 5.07
&rst
ixpk= 0, nxpk= 0, iat= 998,1008, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 68 PRO HA 69 ASP H 3.82
&rst
ixpk= 0, nxpk= 0, iat=1022,1026, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 68 PRO HG3 69 ASP H 4.73
&rst
ixpk= 0, nxpk= 0, iat=1017,1026, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 6 GLN HB2 6 GLN HG2 3.22
&rst
ixpk= 0, nxpk= 0, iat= 83, 86, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &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 6 GLN HG2 3.21
&rst
ixpk= 0, nxpk= 0, iat= 84, 86, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 6 GLN HB3 7 TYR H 4.59
&rst
ixpk= 0, nxpk= 0, iat= 84, 96, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 6 GLN HB3 9 ASP HB2 4.87
&rst
ixpk= 0, nxpk= 0, iat= 84, 128, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 6 GLN HB3 9 ASP HB3 5.03
&rst
ixpk= 0, nxpk= 0, iat= 84, 129, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 70 ARG H 70 ARG HD3 4.74
&rst
ixpk= 0, nxpk= 0, iat=1038,1049, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 70 ARG H 71 GLU H 4.94
&rst
ixpk= 0, nxpk= 0, iat=1038,1062, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 70 ARG HA 70 ARG HD2 4.19
&rst
ixpk= 0, nxpk= 0, iat=1040,1048, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 71 GLU H 72 VAL H 4.91
&rst
ixpk= 0, nxpk= 0, iat=1062,1077, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 72 VAL H 72 VAL HB 4.31
&rst
ixpk= 0, nxpk= 0, iat=1077,1081, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 72 VAL H 73 GLN H 4.90
&rst
ixpk= 0, nxpk= 0, iat=1077,1093, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 72 VAL HA 72 VAL QG2 3.63
&rst
ixpk= 0, nxpk= 0, iat=1079, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2=1087,1088,1089,
&end
#
# 72 VAL HB 77 GLN HE21 5.06
&rst
ixpk= 0, nxpk= 0, iat=1081,1162, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 72 VAL QG1 73 GLN H 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1093, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1083,1084,1085,
&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 76 THR H 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1=1087,1088,1089,
&end
#
# 72 VAL QG2 76 THR QG2 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
igr1=1087,1088,1089,
igr2=1141,1142,1143,
&end
#
# 72 VAL QG2 77 GLN H 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1,1149, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1087,1088,1089,
&end
#
# 72 VAL QG2 77 GLN QG 3.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1=1087,1088,1089,
igr2=1156,1157,
&end
#
# 72 VAL QG2 78 GLY H 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1166, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1087,1088,1089,
&end
#
# 72 VAL QG2 79 ARG H 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=1087,1088,1089,
&end
#
# 73 GLN H 73 GLN HB3 4.36
&rst
ixpk= 0, nxpk= 0, iat=1093,1098, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 73 GLN H 73 GLN HE21 4.39
&rst
ixpk= 0, nxpk= 0, iat=1093,1106, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 73 GLN H 74 ALA H 4.90
&rst
ixpk= 0, nxpk= 0, iat=1093,1110, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 73 GLN H 76 THR H 5.32
&rst
ixpk= 0, nxpk= 0, iat=1093,1135, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 73 GLN HA 73 GLN HE21 4.49
&rst
ixpk= 0, nxpk= 0, iat=1095,1106, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 73 GLN HA 73 GLN HE22 4.55
&rst
ixpk= 0, nxpk= 0, iat=1095,1105, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 73 GLN HA 74 ALA HA 4.72
&rst
ixpk= 0, nxpk= 0, iat=1095,1112, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 73 GLN HA 76 THR H 4.80
&rst
ixpk= 0, nxpk= 0, iat=1095,1135, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 73 GLN HB3 74 ALA H 3.86
&rst
ixpk= 0, nxpk= 0, iat=1098,1110, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 73 GLN HB2 73 GLN HE21 5.07
&rst
ixpk= 0, nxpk= 0, iat=1097,1106, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 73 GLN HB2 73 GLN HE22 5.67
&rst
ixpk= 0, nxpk= 0, iat=1097,1105, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 73 GLN HB2 74 ALA H 4.63
&rst
ixpk= 0, nxpk= 0, iat=1097,1110, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 73 GLN HG2 76 THR QG2 4.58
&rst
ixpk= 0, nxpk= 0, iat=1100, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1141,1142,1143,
&end
#
# 74 ALA H 76 THR H 4.75
&rst
ixpk= 0, nxpk= 0, iat=1110,1135, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 74 ALA HA 77 GLN H 3.74
&rst
ixpk= 0, nxpk= 0, iat=1112,1149, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &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 3.88
&rst
ixpk= 0, nxpk= 0, iat=1112, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2=1156,1157,
&end
#
# 74 ALA QB 75 GLU HA 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=1114,1115,1116,
&end
#
# 74 ALA QB 76 THR H 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1114,1115,1116,
&end
#
# 74 ALA QB 77 GLN H 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1149, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1=1114,1115,1116,
&end
#
# 74 ALA QB 77 GLN QB 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1114,1115,1116,
igr2=1153,1154,
&end
#
# 74 ALA QB 77 GLN QG 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=1114,1115,1116,
igr2=1156,1157,
&end
#
# 75 GLU H 76 THR H 3.91
&rst
ixpk= 0, nxpk= 0, iat=1120,1135, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 75 GLU QB 75 GLU QG 2.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1=1124,1125,
igr2=1127,1128,
&end
#
# 75 GLU QG 76 THR H 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1=1127,1128,
&end
#
# 75 GLU QG 77 GLN H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1149, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1127,1128,
&end
#
# 76 THR H 76 THR QG2 3.48
&rst
ixpk= 0, nxpk= 0, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=1141,1142,1143,
&end
#
# 76 THR HA 76 THR QG2 3.11
&rst
ixpk= 0, nxpk= 0, iat=1137, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2=1141,1142,1143,
&end
#
# 76 THR HA 77 GLN H 3.84
&rst
ixpk= 0, nxpk= 0, iat=1137,1149, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 76 THR HA 79 ARG HE 4.30
&rst
ixpk= 0, nxpk= 0, iat=1137,1186, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 76 THR HA 80 PHE H 4.21
&rst
ixpk= 0, nxpk= 0, iat=1137,1197, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 76 THR HA 80 PHE QE 4.60
&rst
ixpk= 0, nxpk= 0, iat=1137, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1207,1211,
&end
#
# 76 THR HB 80 PHE H 4.25
&rst
ixpk= 0, nxpk= 0, iat=1139,1197, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 76 THR HB 80 PHE HB2 4.42
&rst
ixpk= 0, nxpk= 0, iat=1139,1201, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 76 THR HB 80 PHE HB3 5.19
&rst
ixpk= 0, nxpk= 0, iat=1139,1202, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 76 THR QG2 79 ARG H 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1=1141,1142,1143,
&end
#
# 76 THR QG2 79 ARG HE 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1=1141,1142,1143,
&end
#
# 76 THR QG2 80 PHE H 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1197, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1141,1142,1143,
&end
#
# 76 THR QG2 80 PHE HA 5.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1199, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1=1141,1142,1143,
&end
#
# 77 GLN H 77 GLN HA 3.19
&rst
ixpk= 0, nxpk= 0, iat=1149,1151, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 77 GLN H 78 GLY H 4.79
&rst
ixpk= 0, nxpk= 0, iat=1149,1166, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 77 GLN H 79 ARG H 4.87
&rst
ixpk= 0, nxpk= 0, iat=1149,1173, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 77 GLN HA 77 GLN HE21 4.67
&rst
ixpk= 0, nxpk= 0, iat=1151,1162, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 77 GLN QB 77 GLN HE21 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1162, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1153,1154,
&end
#
# 77 GLN QB 77 GLN QG 2.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,
igr1=1153,1154,
igr2=1156,1157,
&end
#
# 77 GLN QB 78 GLY H 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1166, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=1153,1154,
&end
#
# 77 GLN QB 79 ARG H 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=1153,1154,
&end
#
# 77 GLN QG 77 GLN HE22 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1161, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1=1156,1157,
&end
#
# 77 GLN QG 77 GLN HE21 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1162, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1=1156,1157,
&end
#
# 78 GLY H 79 ARG H 4.46
&rst
ixpk= 0, nxpk= 0, iat=1166,1173, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 79 ARG H 79 ARG HB2 4.04
&rst
ixpk= 0, nxpk= 0, iat=1173,1177, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 79 ARG H 79 ARG HD3 5.33
&rst
ixpk= 0, nxpk= 0, iat=1173,1184, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 79 ARG H 79 ARG HG2 3.78
&rst
ixpk= 0, nxpk= 0, iat=1173,1180, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 79 ARG H 80 PHE H 3.25
&rst
ixpk= 0, nxpk= 0, iat=1173,1197, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 79 ARG H 80 PHE HA 5.63
&rst
ixpk= 0, nxpk= 0, iat=1173,1199, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 79 ARG H 80 PHE HB2 5.19
&rst
ixpk= 0, nxpk= 0, iat=1173,1201, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 79 ARG H 80 PHE QD 4.25
&rst
ixpk= 0, nxpk= 0, iat=1173, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1205,1213,
&end
#
# 79 ARG HA 80 PHE QD 4.52
&rst
ixpk= 0, nxpk= 0, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1205,1213,
&end
#
# 79 ARG HA 96 ARG QD 4.30
&rst
ixpk= 0, nxpk= 0, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1451,1452,
&end
#
# 79 ARG HB2 80 PHE H 4.26
&rst
ixpk= 0, nxpk= 0, iat=1177,1197, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 79 ARG HD2 97 ASP HB3 4.38
&rst
ixpk= 0, nxpk= 0, iat=1183,1470, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 79 ARG HG2 97 ASP HB2 5.11
&rst
ixpk= 0, nxpk= 0, iat=1180,1469, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 7 TYR H 7 TYR QD 4.32
&rst
ixpk= 0, nxpk= 0, iat= 96, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 104, 113,
&end
#
# 7 TYR HB2 123 LEU QD1 5.45
&rst
ixpk= 0, nxpk= 0, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2=1924,1925,1926,
&end
#
# 7 TYR HB3 124 ASN HD22 4.88
&rst
ixpk= 0, nxpk= 0, iat= 101,1943, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 7 TYR QD 8 GLY H 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 104, 113,
&end
#
# 7 TYR QE 122 GLN HB2 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1902, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 106, 111,
&end
#
# 7 TYR QE 125 TYR H 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1,1948, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 106, 111,
&end
#
# 7 TYR QE 125 TYR QD 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 106, 111,
igr2=1956,1965,
&end
#
# 80 PHE H 80 PHE HB3 4.06
&rst
ixpk= 0, nxpk= 0, iat=1197,1202, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 80 PHE H 80 PHE QD 3.48
&rst
ixpk= 0, nxpk= 0, iat=1197, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2=1205,1213,
&end
#
# 80 PHE H 81 GLN H 4.69
&rst
ixpk= 0, nxpk= 0, iat=1197,1217, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 80 PHE H 93 LEU QD1 5.42
&rst
ixpk= 0, nxpk= 0, iat=1197, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=1401,1402,1403,
&end
#
# 80 PHE HA 80 PHE QE 5.04
&rst
ixpk= 0, nxpk= 0, iat=1199, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1207,1211,
&end
#
# 80 PHE HA 93 LEU QD1 3.83
&rst
ixpk= 0, nxpk= 0, iat=1199, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1401,1402,1403,
&end
#
# 80 PHE HA 94 SER H 4.95
&rst
ixpk= 0, nxpk= 0, iat=1199,1411, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 80 PHE HA 95 ILE HG13 4.73
&rst
ixpk= 0, nxpk= 0, iat=1199,1433, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 80 PHE HB2 81 GLN H 4.87
&rst
ixpk= 0, nxpk= 0, iat=1201,1217, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 80 PHE HB2 93 LEU QD1 4.18
&rst
ixpk= 0, nxpk= 0, iat=1201, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1401,1402,1403,
&end
#
# 80 PHE HB3 81 GLN H 4.28
&rst
ixpk= 0, nxpk= 0, iat=1202,1217, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 80 PHE HB3 93 LEU QD1 3.85
&rst
ixpk= 0, nxpk= 0, iat=1202, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1401,1402,1403,
&end
#
# 80 PHE HB3 93 LEU QD2 4.76
&rst
ixpk= 0, nxpk= 0, iat=1202, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1405,1406,1407,
&end
#
# 80 PHE HZ 95 ILE QG2 4.03
&rst
ixpk= 0, nxpk= 0, iat=1209, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1428,1429,1430,
&end
#
# 80 PHE QD 93 LEU QD1 3.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=1205,1213,
igr2=1401,1402,1403,
&end
#
# 80 PHE QD 93 LEU QD2 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1=1205,1213,
igr2=1405,1406,1407,
&end
#
# 80 PHE QE 102 ASP HA 5.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1559, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1207,1211,
&end
#
# 80 PHE QE 102 ASP HB3 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1,1562, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1=1207,1211,
&end
#
# 80 PHE QE 93 LEU QD2 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=1207,1211,
igr2=1405,1406,1407,
&end
#
# 80 PHE QE 95 ILE QG2 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=1207,1211,
igr2=1428,1429,1430,
&end
#
# 81 GLN H 81 GLN HB2 4.14
&rst
ixpk= 0, nxpk= 0, iat=1217,1221, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 81 GLN H 93 LEU QD1 3.50
&rst
ixpk= 0, nxpk= 0, iat=1217, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1401,1402,1403,
&end
#
# 81 GLN H 93 LEU QD2 5.49
&rst
ixpk= 0, nxpk= 0, iat=1217, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2=1405,1406,1407,
&end
#
# 81 GLN H 94 SER H 3.90
&rst
ixpk= 0, nxpk= 0, iat=1217,1411, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 81 GLN H 94 SER HA 5.41
&rst
ixpk= 0, nxpk= 0, iat=1217,1413, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 81 GLN H 94 SER QB 4.18
&rst
ixpk= 0, nxpk= 0, iat=1217, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2=1415,1416,
&end
#
# 81 GLN H 95 ILE H 5.61
&rst
ixpk= 0, nxpk= 0, iat=1217,1422, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end
#
# 81 GLN H 95 ILE HA 4.01
&rst
ixpk= 0, nxpk= 0, iat=1217,1424, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 81 GLN H 95 ILE HG13 4.83
&rst
ixpk= 0, nxpk= 0, iat=1217,1433, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 81 GLN H 96 ARG H 5.13
&rst
ixpk= 0, nxpk= 0, iat=1217,1441, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 81 GLN HB2 94 SER QB 4.15
&rst
ixpk= 0, nxpk= 0, iat=1221, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1415,1416,
&end
#
# 82 LEU H 82 LEU HG 4.90
&rst
ixpk= 0, nxpk= 0, iat=1234,1241, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 82 LEU H 82 LEU QD1 4.28
&rst
ixpk= 0, nxpk= 0, iat=1234, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1243,1244,1245,
&end
#
# 82 LEU H 83 LEU HG 5.34
&rst
ixpk= 0, nxpk= 0, iat=1234,1260, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 82 LEU H 83 LEU QD2 4.77
&rst
ixpk= 0, nxpk= 0, iat=1234, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2=1266,1267,1268,
&end
#
# 82 LEU H 93 LEU QD1 4.90
&rst
ixpk= 0, nxpk= 0, iat=1234, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1401,1402,1403,
&end
#
# 82 LEU HA 83 LEU QD2 4.65
&rst
ixpk= 0, nxpk= 0, iat=1236, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1266,1267,1268,
&end
#
# 82 LEU HB2 83 LEU H 4.89
&rst
ixpk= 0, nxpk= 0, iat=1238,1253, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 82 LEU HG 93 LEU QD1 4.97
&rst
ixpk= 0, nxpk= 0, iat=1241, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=1401,1402,1403,
&end
#
# 82 LEU QD1 93 LEU QD1 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1243,1244,1245,
igr2=1401,1402,1403,
&end
#
# 83 LEU H 83 LEU HB3 4.33
&rst
ixpk= 0, nxpk= 0, iat=1253,1258, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 83 LEU H 83 LEU HB2 4.49
&rst
ixpk= 0, nxpk= 0, iat=1253,1257, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 83 LEU H 83 LEU QD2 3.95
&rst
ixpk= 0, nxpk= 0, iat=1253, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1266,1267,1268,
&end
#
# 83 LEU HA 83 LEU HG 3.84
&rst
ixpk= 0, nxpk= 0, iat=1255,1260, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 83 LEU HB3 92 SER HB2 5.14
&rst
ixpk= 0, nxpk= 0, iat=1258,1385, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 83 LEU HG 94 SER H 4.50
&rst
ixpk= 0, nxpk= 0, iat=1260,1411, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 83 LEU QD1 94 SER H 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1411, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1262,1263,1264,
&end
#
# 83 LEU QD1 94 SER HA 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1413, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1=1262,1263,1264,
&end
#
# 83 LEU QD1 94 SER QB 3.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1262,1263,1264,
igr2=1415,1416,
&end
#
# 83 LEU QD2 94 SER H 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1411, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1=1266,1267,1268,
&end
#
# 83 LEU QD2 94 SER QB 3.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1266,1267,1268,
igr2=1415,1416,
&end
#
# 88 SER H 90 ASP H 4.41
&rst
ixpk= 0, nxpk= 0, iat=1334,1359, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 89 ASN HB3 89 ASN HD22 3.92
&rst
ixpk= 0, nxpk= 0, iat=1350,1354, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 89 ASN HB3 90 ASP H 4.99
&rst
ixpk= 0, nxpk= 0, iat=1350,1359, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 8 GLY H 125 TYR QD 5.27
&rst
ixpk= 0, nxpk= 0, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2=1956,1965,
&end
#
# 8 GLY HA3 117 TRP HH2 3.94
&rst
ixpk= 0, nxpk= 0, iat= 120,1824, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 8 GLY HA2 11 TYR QD 5.05
&rst
ixpk= 0, nxpk= 0, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 151, 160,
&end
#
# 90 ASP H 91 CYX H 4.78
&rst
ixpk= 0, nxpk= 0, iat=1359,1371, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 92 SER H 92 SER HB3 4.35
&rst
ixpk= 0, nxpk= 0, iat=1381,1386, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 92 SER H 93 LEU H 4.95
&rst
ixpk= 0, nxpk= 0, iat=1381,1392, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &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
#
# 92 SER HB2 93 LEU H 4.18
&rst
ixpk= 0, nxpk= 0, iat=1385,1392, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 93 LEU H 93 LEU HB2 3.95
&rst
ixpk= 0, nxpk= 0, iat=1392,1396, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 93 LEU H 93 LEU QD1 4.90
&rst
ixpk= 0, nxpk= 0, iat=1392, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1401,1402,1403,
&end
#
# 93 LEU H 93 LEU QD2 4.63
&rst
ixpk= 0, nxpk= 0, iat=1392, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1405,1406,1407,
&end
#
# 93 LEU H 94 SER H 4.75
&rst
ixpk= 0, nxpk= 0, iat=1392,1411, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 93 LEU HA 93 LEU QD2 4.37
&rst
ixpk= 0, nxpk= 0, iat=1394, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1405,1406,1407,
&end
#
# 93 LEU HB2 93 LEU QD1 3.57
&rst
ixpk= 0, nxpk= 0, iat=1396, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=1401,1402,1403,
&end
#
# 93 LEU HG 130 LEU QD2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1399, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2057,2058,2059,
&end
#
# 93 LEU HG 94 SER H 3.73
&rst
ixpk= 0, nxpk= 0, iat=1399,1411, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 93 LEU HG 95 ILE H 4.49
&rst
ixpk= 0, nxpk= 0, iat=1399,1422, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 93 LEU QD1 94 SER H 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1411, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr1=1401,1402,1403,
&end
#
# 93 LEU QD1 94 SER HA 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1,1413, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1401,1402,1403,
&end
#
# 93 LEU QD1 95 ILE H 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1422, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1=1401,1402,1403,
&end
#
# 93 LEU QD1 95 ILE HG13 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1433, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1401,1402,1403,
&end
#
# 93 LEU QD1 95 ILE QD1 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=1401,1402,1403,
igr2=1435,1436,1437,
&end
#
# 93 LEU QD2 106 TYR QE 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1405,1406,1407,
igr2=1619,1624,
&end
#
# 93 LEU QD2 130 LEU QD1 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1=1405,1406,1407,
igr2=2053,2054,2055,
&end
#
# 93 LEU QD2 130 LEU QD2 3.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1405,1406,1407,
igr2=2057,2058,2059,
&end
#
# 93 LEU QD2 94 SER H 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1,1411, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1405,1406,1407,
&end
#
# 93 LEU QD2 95 ILE HB 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1,1426, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1=1405,1406,1407,
&end
#
# 93 LEU QD2 95 ILE HG13 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1433, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=1405,1406,1407,
&end
#
# 94 SER H 94 SER QB 3.46
&rst
ixpk= 0, nxpk= 0, iat=1411, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=1415,1416,
&end
#
# 94 SER HA 95 ILE QD1 4.72
&rst
ixpk= 0, nxpk= 0, iat=1413, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1435,1436,1437,
&end
#
# 94 SER QB 95 ILE H 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1,1422, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1=1415,1416,
&end
#
# 95 ILE H 95 ILE HG13 4.21
&rst
ixpk= 0, nxpk= 0, iat=1422,1433, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 95 ILE H 95 ILE QD1 3.87
&rst
ixpk= 0, nxpk= 0, iat=1422, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1435,1436,1437,
&end
#
# 95 ILE H 95 ILE QG2 4.01
&rst
ixpk= 0, nxpk= 0, iat=1422, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1428,1429,1430,
&end
#
# 95 ILE H 96 ARG H 5.01
&rst
ixpk= 0, nxpk= 0, iat=1422,1441, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 95 ILE HA 95 ILE HG13 4.08
&rst
ixpk= 0, nxpk= 0, iat=1424,1433, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 95 ILE HA 95 ILE QD1 3.98
&rst
ixpk= 0, nxpk= 0, iat=1424, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1435,1436,1437,
&end
#
# 95 ILE HA 95 ILE QG2 3.36
&rst
ixpk= 0, nxpk= 0, iat=1424, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1428,1429,1430,
&end
#
# 95 ILE HA 96 ARG HG3 5.04
&rst
ixpk= 0, nxpk= 0, iat=1424,1449, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 95 ILE HB 96 ARG H 4.82
&rst
ixpk= 0, nxpk= 0, iat=1426,1441, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 95 ILE HG12 96 ARG H 4.78
&rst
ixpk= 0, nxpk= 0, iat=1432,1441, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 95 ILE HG13 96 ARG H 4.73
&rst
ixpk= 0, nxpk= 0, iat=1433,1441, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 95 ILE QD1 98 ALA QB 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr1=1435,1436,1437,
igr2=1481,1482,1483,
&end
#
# 95 ILE QG2 132 VAL QG1 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1428,1429,1430,
igr2=2080,2081,2082,
&end
#
# 95 ILE QG2 95 ILE HG13 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1433, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1=1428,1429,1430,
&end
#
# 95 ILE QG2 95 ILE QD1 3.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1=1428,1429,1430,
igr2=1435,1436,1437,
&end
#
# 95 ILE QG2 96 ARG HG2 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1448, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1=1428,1429,1430,
&end
#
# 95 ILE QG2 96 ARG QB 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1428,1429,1430,
igr2=1445,1446,
&end
#
# 95 ILE QG2 96 ARG QD 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr1=1428,1429,1430,
igr2=1451,1452,
&end
#
# 95 ILE QG2 97 ASP H 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1428,1429,1430,
&end
#
# 95 ILE QG2 98 ALA H 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=1428,1429,1430,
&end
#
# 95 ILE QG2 98 ALA QB 3.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,
igr1=1428,1429,1430,
igr2=1481,1482,1483,
&end
#
# 95 ILE QG2 99 ARG H 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1487, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1428,1429,1430,
&end
#
# 96 ARG H 97 ASP H 4.86
&rst
ixpk= 0, nxpk= 0, iat=1441,1465, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 96 ARG HA 97 ASP HB2 5.02
&rst
ixpk= 0, nxpk= 0, iat=1443,1469, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 96 ARG HA 98 ALA H 4.34
&rst
ixpk= 0, nxpk= 0, iat=1443,1477, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 96 ARG HG2 97 ASP H 4.59
&rst
ixpk= 0, nxpk= 0, iat=1448,1465, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 96 ARG HG3 96 ARG QD 3.18
&rst
ixpk= 0, nxpk= 0, iat=1449, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2=1451,1452,
&end
#
# 96 ARG HG3 97 ASP H 5.16
&rst
ixpk= 0, nxpk= 0, iat=1449,1465, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 96 ARG QB 96 ARG HG3 3.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1449, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1=1445,1446,
&end
#
# 96 ARG QB 97 ASP H 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1=1445,1446,
&end
#
# 96 ARG QD 97 ASP H 5.67
&rst
ixpk= 0, nxpk= 0, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1451,1452,
&end
#
# 97 ASP H 97 ASP HB3 4.28
&rst
ixpk= 0, nxpk= 0, iat=1465,1470, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 97 ASP H 98 ALA H 3.40
&rst
ixpk= 0, nxpk= 0, iat=1465,1477, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 97 ASP H 98 ALA QB 4.88
&rst
ixpk= 0, nxpk= 0, iat=1465, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=1481,1482,1483,
&end
#
# 98 ALA H 99 ARG H 5.05
&rst
ixpk= 0, nxpk= 0, iat=1477,1487, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 98 ALA QB 134 VAL HB 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1,2114, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1481,1482,1483,
&end
#
# 98 ALA QB 99 ARG H 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1487, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=1481,1482,1483,
&end
#
# 99 ARG H 102 ASP H 4.31
&rst
ixpk= 0, nxpk= 0, iat=1487,1557, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 99 ARG HA 99 ARG HG2 4.16
&rst
ixpk= 0, nxpk= 0, iat=1489,1494, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 99 ARG HG2 100 LYS H 5.22
&rst
ixpk= 0, nxpk= 0, iat=1494,1511, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 9 ASP HB3 10 GLY H 4.69
&rst
ixpk= 0, nxpk= 0, iat= 129, 136, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 9 ASP HB3 11 TYR H 5.57
&rst
ixpk= 0, nxpk= 0, iat= 129, 143, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 2 GLU HA 3 GLY QA 5.64
&rst
ixpk= 0, nxpk= 0, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2= 38, 39,
&end
#
# 3 GLY QA 4 ASP H 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 43, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 38, 39,
&end
#
# 3 GLY QA 4 ASP HA 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 45, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 38, 39,
&end
#
# 3 GLY QA 4 ASP QB 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 38, 39,
igr2= 47, 48,
&end
#
# 4 ASP H 4 ASP QB 3.37
&rst
ixpk= 0, nxpk= 0, iat= 43, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 47, 48,
&end
#
# 4 ASP HA 4 ASP QB 2.88
&rst
ixpk= 0, nxpk= 0, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
igr2= 47, 48,
&end
#
# 4 ASP QB 5 ARG H 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 55, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 47, 48,
&end
#
# 7 TYR QD 122 GLN QG 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 104, 113,
igr2=1905,1906,
&end
#
# 7 TYR QE 122 GLN QG 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 106, 111,
igr2=1905,1906,
&end
#
# 11 TYR QD 117 TRP QB 5.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1= 151, 160,
igr2=1813,1814,
&end
#
# 11 TYR QE 117 TRP QB 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 153, 158,
igr2=1813,1814,
&end
#
# 13 LEU HG 32 SER QB 5.64
&rst
ixpk= 0, nxpk= 0, iat= 190, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2= 478, 479,
&end
#
# 14 GLN HA 32 SER QB 5.64
&rst
ixpk= 0, nxpk= 0, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2= 478, 479,
&end
#
# 14 GLN HG3 32 SER QB 5.64
&rst
ixpk= 0, nxpk= 0, iat= 210, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2= 478, 479,
&end
#
# 32 SER QB 33 PHE H 3.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr1= 478, 479,
&end
#
# 32 SER QB 33 PHE QD 5.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
igr1= 478, 479,
igr2= 493, 501,
&end
#
# 39 GLY HA3 114 SER QB 5.32
&rst
ixpk= 0, nxpk= 0, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=1763,1764,
&end
#
# 40 TRP H 114 SER QB 5.03
&rst
ixpk= 0, nxpk= 0, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2=1763,1764,
&end
#
# 40 TRP HA 44 ASP QB 5.24
&rst
ixpk= 0, nxpk= 0, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 652, 653,
&end
#
# 40 TRP QB 112 ARG QB 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 591, 592,
igr2=1732,1733,
&end
#
# 40 TRP HD1 112 ARG QB 4.51
&rst
ixpk= 0, nxpk= 0, iat= 595, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1732,1733,
&end
#
# 40 TRP HE3 44 ASP QB 4.35
&rst
ixpk= 0, nxpk= 0, iat= 606, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 652, 653,
&end
#
# 41 THR H 44 ASP QB 3.92
&rst
ixpk= 0, nxpk= 0, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 652, 653,
&end
#
# 41 THR HB 43 SER QB 5.25
&rst
ixpk= 0, nxpk= 0, iat= 615, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2= 641, 642,
&end
#
# 41 THR QG2 43 SER QB 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 617, 618, 619,
igr2= 641, 642,
&end
#
# 41 THR QG2 44 ASP QB 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1= 617, 618, 619,
igr2= 652, 653,
&end
#
# 42 ASP HB3 43 SER QB 5.64
&rst
ixpk= 0, nxpk= 0, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2= 641, 642,
&end
#
# 43 SER QB 44 ASP H 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 648, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 641, 642,
&end
#
# 44 ASP H 44 ASP QB 3.31
&rst
ixpk= 0, nxpk= 0, iat= 648, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 652, 653,
&end
#
# 44 ASP QB 45 PRO HD2 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 661, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 652, 653,
&end
#
# 44 ASP QB 45 PRO HD3 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 662, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 652, 653,
&end
#
# 44 ASP QB 113 GLY H 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1,1752, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 652, 653,
&end
#
# 44 ASP QB 113 GLY HA2 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1,1754, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 652, 653,
&end
#
# 44 ASP QB 113 GLY HA3 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1755, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 652, 653,
&end
#
# 46 VAL HA 112 ARG QB 4.84
&rst
ixpk= 0, nxpk= 0, iat= 676, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1732,1733,
&end
#
# 46 VAL QG1 112 ARG QD 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 680, 681, 682,
igr2=1738,1739,
&end
#
# 46 VAL QG2 112 ARG QD 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 684, 685, 686,
igr2=1738,1739,
&end
#
# 49 TYR HB3 109 ARG QD 4.81
&rst
ixpk= 0, nxpk= 0, iat= 719, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1680,1681,
&end
#
# 51 PHE HZ 109 ARG QD 4.94
&rst
ixpk= 0, nxpk= 0, iat= 771, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1680,1681,
&end
#
# 52 ARG H 55 ASP QB 4.57
&rst
ixpk= 0, nxpk= 0, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 824, 825,
&end
#
# 55 ASP H 55 ASP QB 3.57
&rst
ixpk= 0, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 824, 825,
&end
#
# 55 ASP QB 56 ARG H 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 832, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 824, 825,
&end
#
# 56 ARG QB 59 GLN QE2 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 836, 837,
igr2= 903, 904,
&end
#
# 56 ARG HD2 59 GLN QE2 4.99
&rst
ixpk= 0, nxpk= 0, iat= 842, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 903, 904,
&end
#
# 56 ARG HD3 59 GLN QE2 5.64
&rst
ixpk= 0, nxpk= 0, iat= 843, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2= 903, 904,
&end
#
# 58 TYR HB2 59 GLN QB 5.32
&rst
ixpk= 0, nxpk= 0, iat= 874, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 895, 896,
&end
#
# 58 TYR HB2 59 GLN QE2 4.20
&rst
ixpk= 0, nxpk= 0, iat= 874, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 903, 904,
&end
#
# 59 GLN H 59 GLN QE2 4.59
&rst
ixpk= 0, nxpk= 0, iat= 891, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 903, 904,
&end
#
# 59 GLN QB 59 GLN QE2 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 895, 896,
igr2= 903, 904,
&end
#
# 59 GLN QB 60 ASP H 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 908, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 895, 896,
&end
#
# 60 ASP QB 61 ALA H 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 920, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 912, 913,
&end
#
# 60 ASP QB 61 ALA QB 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 912, 913,
igr2= 924, 925, 926,
&end
#
# 60 ASP QB 73 GLN HE21 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1106, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 912, 913,
&end
#
# 60 ASP QB 73 GLN HE22 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1105, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 912, 913,
&end
#
# 76 THR HA 79 ARG QB 4.39
&rst
ixpk= 0, nxpk= 0, iat=1137, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2=1177,1178,
&end
#
# 76 THR HA 79 ARG QD 5.08
&rst
ixpk= 0, nxpk= 0, iat=1137, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1183,1184,
&end
#
# 76 THR HB 79 ARG QB 5.34
&rst
ixpk= 0, nxpk= 0, iat=1139, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1177,1178,
&end
#
# 79 ARG H 79 ARG QB 3.37
&rst
ixpk= 0, nxpk= 0, iat=1173, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=1177,1178,
&end
#
# 79 ARG HA 79 ARG QD 4.78
&rst
ixpk= 0, nxpk= 0, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1183,1184,
&end
#
# 79 ARG QB 79 ARG HE 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1177,1178,
&end
#
# 79 ARG QB 80 PHE H 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1,1197, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1=1177,1178,
&end
#
# 79 ARG QB 80 PHE QD 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1177,1178,
igr2=1205,1213,
&end
#
# 79 ARG QB 80 PHE QE 5.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
igr1=1177,1178,
igr2=1207,1211,
&end
#
# 79 ARG QB 95 ILE QG2 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1177,1178,
igr2=1428,1429,1430,
&end
#
# 79 ARG QB 96 ARG H 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1441, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1=1177,1178,
&end
#
# 79 ARG QD 80 PHE QD 5.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
igr1=1183,1184,
igr2=1205,1213,
&end
#
# 79 ARG QD 80 PHE QE 5.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
igr1=1183,1184,
igr2=1207,1211,
&end
#
# 79 ARG QD 97 ASP HB2 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1469, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1183,1184,
&end
#
# 84 GLY QA 85 ASP H 3.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1274,1275,
&end
#
# 84 GLY QA 90 ASP HA 5.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1=1274,1275,
&end
#
# 84 GLY QA 90 ASP HB3 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1364, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=1274,1275,
&end
#
# 85 ASP QB 87 TRP H 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1310, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1283,1284,
&end
#
# 85 ASP QB 87 TRP HD1 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1318, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1283,1284,
&end
#
# 85 ASP QB 88 SER HB2 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1338, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1283,1284,
&end
#
# 85 ASP QB 88 SER HB3 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1339, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1=1283,1284,
&end
#
# 101 ARG H 101 ARG QB 3.98
&rst
ixpk= 0, nxpk= 0, iat=1533, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1537,1538,
&end
#
# 101 ARG HA 101 ARG QB 2.92
&rst
ixpk= 0, nxpk= 0, iat=1535, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr2=1537,1538,
&end
#
# 101 ARG QB 101 ARG QD 2.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=1537,1538,
igr2=1543,1544,
&end
#
# 101 ARG QB 102 ASP H 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1557, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=1537,1538,
&end
#
# 107 PHE QD 120 LYS QD 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1638,1646,
igr2=1875,1876,
&end
#
# 109 ARG HA 109 ARG QD 5.14
&rst
ixpk= 0, nxpk= 0, iat=1672, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2=1680,1681,
&end
#
# 110 LEU H 117 TRP QB 4.76
&rst
ixpk= 0, nxpk= 0, iat=1694, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1813,1814,
&end
#
# 110 LEU QD1 112 ARG QB 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1703,1704,1705,
igr2=1732,1733,
&end
#
# 110 LEU QD1 112 ARG QD 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1=1703,1704,1705,
igr2=1738,1739,
&end
#
# 110 LEU QD1 117 TRP QB 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr1=1703,1704,1705,
igr2=1813,1814,
&end
#
# 111 GLU QG 116 LYS QG 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1720,1721,
igr2=1794,1795,
&end
#
# 112 ARG QB 112 ARG HE 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1741, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1732,1733,
&end
#
# 112 ARG QB 113 GLY H 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1752, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1732,1733,
&end
#
# 112 ARG QB 115 MET H 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1770, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1732,1733,
&end
#
# 113 GLY HA3 114 SER QB 5.58
&rst
ixpk= 0, nxpk= 0, iat=1755, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2=1763,1764,
&end
#
# 114 SER H 114 SER QB 3.57
&rst
ixpk= 0, nxpk= 0, iat=1759, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1763,1764,
&end
#
# 114 SER HA 114 SER QB 2.86
&rst
ixpk= 0, nxpk= 0, iat=1761, -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
igr2=1763,1764,
&end
#
# 114 SER QB 115 MET H 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1770, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1763,1764,
&end
#
# 114 SER QB 116 LYS QE 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1763,1764,
igr2=1800,1801,
&end
#
# 115 MET H 116 LYS QG 5.06
&rst
ixpk= 0, nxpk= 0, iat=1770, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1794,1795,
&end
#
# 116 LYS H 116 LYS QG 4.49
&rst
ixpk= 0, nxpk= 0, iat=1787, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1794,1795,
&end
#
# 116 LYS QB 117 TRP H 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1809, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=1791,1792,
&end
#
# 116 LYS QG 116 LYS QE 3.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1=1794,1795,
igr2=1800,1801,
&end
#
# 117 TRP H 117 TRP QB 3.96
&rst
ixpk= 0, nxpk= 0, iat=1809, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=1813,1814,
&end
#
# 118 SER QB 120 LYS QG 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=1837,1838,
igr2=1872,1873,
&end
#
# 120 LYS H 120 LYS QG 4.28
&rst
ixpk= 0, nxpk= 0, iat=1865, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1872,1873,
&end
#
# 120 LYS H 120 LYS QD 5.24
&rst
ixpk= 0, nxpk= 0, iat=1865, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1875,1876,
&end
#
# 120 LYS HA 120 LYS QG 3.83
&rst
ixpk= 0, nxpk= 0, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1872,1873,
&end
#
# 120 LYS HA 120 LYS QD 4.65
&rst
ixpk= 0, nxpk= 0, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1875,1876,
&end
#
# 120 LYS QB 120 LYS QD 3.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1=1869,1870,
igr2=1875,1876,
&end
#
# 120 LYS QB 120 LYS QE 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1869,1870,
igr2=1878,1879,
&end
#
# 120 LYS QB 121 SER H 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1887, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1869,1870,
&end
#
# 120 LYS QB 127 THR QG2 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1869,1870,
igr2=1997,1998,1999,
&end
#
# 120 LYS QB 129 GLN HG2 5.64
&rst
ixpk= 0, nxpk= 0, iat= -1,2034, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1=1869,1870,
&end
#
# 120 LYS QB 129 GLN HE21 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1,2040, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1869,1870,
&end
#
# 120 LYS QB 129 GLN HE22 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1,2039, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1869,1870,
&end
#
# 120 LYS QG 120 LYS QE 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr1=1872,1873,
igr2=1878,1879,
&end
#
# 120 LYS QG 121 SER H 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1,1887, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=1872,1873,
&end
#
# 122 GLN H 122 GLN QG 4.80
&rst
ixpk= 0, nxpk= 0, iat=1898, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1905,1906,
&end
#
# 122 GLN HA 122 GLN QG 3.56
&rst
ixpk= 0, nxpk= 0, iat=1900, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1905,1906,
&end
#
# 122 GLN HA 122 GLN QE2 5.05
&rst
ixpk= 0, nxpk= 0, iat=1900, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1910,1911,
&end
#
# 122 GLN HB2 122 GLN QE2 4.95
&rst
ixpk= 0, nxpk= 0, iat=1902, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1910,1911,
&end
#
# 122 GLN QG 123 LEU HG 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1,1922, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1=1905,1906,
&end
#
# 122 GLN QG 123 LEU QD1 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1=1905,1906,
igr2=1924,1925,1926,
&end
#
# 122 GLN QG 125 TYR HB3 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1953, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=1905,1906,
&end
#
# 137 LEU QD1 140 GLY QA 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=2159,2160,2161,
igr2=2202,2203,
&end
#
# 139 HIS HA 140 GLY QA 5.09
&rst
ixpk= 0, nxpk= 0, iat=2185, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr2=2202,2203,
&end
#
# 139 HIS HD2 140 GLY QA 5.18
&rst
ixpk= 0, nxpk= 0, iat=2196, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=2202,2203,
&end
#
# 143 VAL HA 144 PRO QG 4.57
&rst
ixpk= 0, nxpk= 0, iat=2239, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=2257,2258,
&end
#
# 145 ARG H 145 ARG QB 3.43
&rst
ixpk= 0, nxpk= 0, iat=2267, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2=2271,2272,
&end
#
# 145 ARG HA 145 ARG QB 2.95
&rst
ixpk= 0, nxpk= 0, iat=2269, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr2=2271,2272,
&end
#
# 145 ARG QB 145 ARG QD 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=2271,2272,
igr2=2277,2278,
&end
#
# 7 TYR QD 150 0SA H7 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2390, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
rk2=20, rk3=20, ir6=1, ialtd=0,
igr1= 104, 113,
&end
#
# 7 TYR QD 150 0SA Q11 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 104, 113,
igr2=2409,2408,2407,
&end
#
# 7 TYR QE 150 0SA H6 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2388, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 106, 111,
&end
#
# 7 TYR QE 150 0SA H7 4
&rst
ixpk= 0, nxpk= 0, iat= -1,2390, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 106, 111,
&end
#
# 7 TYR QE 150 0SA H9S 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2394, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 106, 111,
&end
#
# 7 TYR QE 150 0SA H9R 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2395, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 106, 111,
&end
#
# 7 TYR QE 150 0SA Q11 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 106, 111,
igr2=2409,2408,2407,
&end
#
# 11 TYR QE 150 0SA H7 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2390, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 153, 158,
&end
#
# 11 TYR QE 150 0SA Q11 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 153, 158,
igr2=2409,2408,2407,
&end
#
# 58 TYR QE 150 0SA H3A 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1,2382, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 880, 885,
&end
#
# 58 TYR QE 150 0SA H3E 5
&rst
ixpk= 0, nxpk= 0, iat= -1,2381, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 880, 885,
&end
#
# 116 LYS HA 150 0SA H4 5
&rst
ixpk= 0, nxpk= 0, iat=1789,2384, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 116 LYS HA 150 0SA H6 5.5
&rst
ixpk= 0, nxpk= 0, iat=1789,2388, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 116 LYS HB2 150 0SA H3A 5.5
&rst
ixpk= 0, nxpk= 0, iat=1791,2382, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 116 LYS HB2 150 0SA H3E 5
&rst
ixpk= 0, nxpk= 0, iat=1791,2381, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 116 LYS HB2 150 0SA H4 2.8
&rst
ixpk= 0, nxpk= 0, iat=1791,2384, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 116 LYS HB2 150 0SA H5 5.5
&rst
ixpk= 0, nxpk= 0, iat=1791,2386, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 116 LYS HB2 150 0SA H6 5
&rst
ixpk= 0, nxpk= 0, iat=1791,2388, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 116 LYS HB3 150 0SA H3A 6
&rst
ixpk= 0, nxpk= 0, iat=1792,2382, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 116 LYS HB3 150 0SA H3E 5
&rst
ixpk= 0, nxpk= 0, iat=1792,2381, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 116 LYS HB3 150 0SA H4 3.2
&rst
ixpk= 0, nxpk= 0, iat=1792,2384, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 116 LYS HB3 150 0SA H5 6
&rst
ixpk= 0, nxpk= 0, iat=1792,2386, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 116 LYS HB3 150 0SA H6 4
&rst
ixpk= 0, nxpk= 0, iat=1792,2388, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 116 LYS HG2 150 0SA H3E 5.5
&rst
ixpk= 0, nxpk= 0, iat=1794,2381, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 116 LYS HG2 150 0SA H4 5
&rst
ixpk= 0, nxpk= 0, iat=1794,2384, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 116 LYS HG2 150 0SA H6 6
&rst
ixpk= 0, nxpk= 0, iat=1794,2388, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 116 LYS HG3 150 0SA H3E 6.0
&rst
ixpk= 0, nxpk= 0, iat=1795,2381, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 116 LYS HG3 150 0SA H4 5
&rst
ixpk= 0, nxpk= 0, iat=1795,2384, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 116 LYS HG3 150 0SA H6 6
&rst
ixpk= 0, nxpk= 0, iat=1795,2388, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 116 LYS QD 150 0SA H3A 5
&rst
ixpk= 0, nxpk= 0, iat= -1,2382, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1797,1798,
&end
#
# 116 LYS QD 150 0SA H3E 4
&rst
ixpk= 0, nxpk= 0, iat= -1,2381, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1797,1798,
&end
#
# 116 LYS QD 150 0SA H4 3.2
&rst
ixpk= 0, nxpk= 0, iat= -1,2384, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1797,1798,
&end
#
# 116 LYS QD 150 0SA H5 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2386, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1797,1798,
&end
#
# 116 LYS QD 150 0SA H6 5
&rst
ixpk= 0, nxpk= 0, iat= -1,2388, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1797,1798,
&end
#
# 116 LYS QE 150 0SA H4 5
&rst
ixpk= 0, nxpk= 0, iat= -1,2384, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1800,1801,
&end
#
# 116 LYS QE 150 0SA H6 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2388, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1800,1801,
&end
#
# 117 TRP HA 150 0SA H4 5
&rst
ixpk= 0, nxpk= 0, iat=1811,2384, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 117 TRP HA 150 0SA H5 5.5
&rst
ixpk= 0, nxpk= 0, iat=1811,2386, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 117 TRP HA 150 0SA H6 2.8
&rst
ixpk= 0, nxpk= 0, iat=1811,2388, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 117 TRP HA 150 0SA H7 3.2
&rst
ixpk= 0, nxpk= 0, iat=1811,2390, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 117 TRP HA 150 0SA Q11 5.5
&rst
ixpk= 0, nxpk= 0, iat=1811, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2409,2408,2407,
&end
#
# 117 TRP QB 150 0SA H4 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2384, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1813,1814,
&end
#
# 117 TRP QB 150 0SA H6 5
&rst
ixpk= 0, nxpk= 0, iat= -1,2388, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1813,1814,
&end
#
# 117 TRP QB 150 0SA H7 5
&rst
ixpk= 0, nxpk= 0, iat= -1,2390, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1813,1814,
&end
#
# 117 TRP HZ2 150 0SA H7 5.2
&rst
ixpk= 0, nxpk= 0, iat=1822,2390, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 117 TRP HZ2 150 0SA H9S 6
&rst
ixpk= 0, nxpk= 0, iat=1822,2394, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 117 TRP HZ2 150 0SA H9R 6
&rst
ixpk= 0, nxpk= 0, iat=1822,2395, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 117 TRP HH2 150 0SA H7 5
&rst
ixpk= 0, nxpk= 0, iat=1824,2390, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 117 TRP HH2 150 0SA Q11 6
&rst
ixpk= 0, nxpk= 0, iat=1824, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2409,2408,2407,
&end
#
# 117 TRP HZ3 150 0SA H5 5.5
&rst
ixpk= 0, nxpk= 0, iat=1826,2386, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 117 TRP HZ3 150 0SA H6 6
&rst
ixpk= 0, nxpk= 0, iat=1826,2388, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 117 TRP HZ3 150 0SA H7 4
&rst
ixpk= 0, nxpk= 0, iat=1826,2390, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 117 TRP HZ3 150 0SA H9S 6
&rst
ixpk= 0, nxpk= 0, iat=1826,2394, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 117 TRP HZ3 150 0SA H9R 6
&rst
ixpk= 0, nxpk= 0, iat=1826,2395, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 117 TRP HZ3 150 0SA Q11 5.5
&rst
ixpk= 0, nxpk= 0, iat=1826, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2409,2408,2407,
&end
#
# 117 TRP HE3 150 0SA H4 5.5
&rst
ixpk= 0, nxpk= 0, iat=1828,2384, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 117 TRP HE3 150 0SA H5 5.5
&rst
ixpk= 0, nxpk= 0, iat=1828,2386, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 117 TRP HE3 150 0SA H6 5
&rst
ixpk= 0, nxpk= 0, iat=1828,2388, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 117 TRP HE3 150 0SA H7 3.2
&rst
ixpk= 0, nxpk= 0, iat=1828,2390, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 117 TRP HE3 150 0SA H9S 6
&rst
ixpk= 0, nxpk= 0, iat=1828,2394, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 117 TRP HE3 150 0SA H9R 6
&rst
ixpk= 0, nxpk= 0, iat=1828,2395, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 117 TRP HE3 150 0SA Q11 5
&rst
ixpk= 0, nxpk= 0, iat=1828, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2409,2408,2407,
&end
#
# 58 TYR QB 149 VLC H4 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2366, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 874, 875,
&end
#
# 58 TYR QB 149 VLC H61 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2359, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 874, 875,
&end
#
# 58 TYR QD 149 VLC H3 5
&rst
ixpk= 0, nxpk= 0, iat= -1,2370, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 878, 887,
&end
#
# 58 TYR QD 149 VLC H4 4
&rst
ixpk= 0, nxpk= 0, iat= -1,2366, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 878, 887,
&end
#
# 58 TYR QD 149 VLC H5 5
&rst
ixpk= 0, nxpk= 0, iat= -1,2356, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 878, 887,
&end
#
# 58 TYR QD 149 VLC H61 4
&rst
ixpk= 0, nxpk= 0, iat= -1,2359, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 878, 887,
&end
#
# 58 TYR QE 149 VLC H1 4
&rst
ixpk= 0, nxpk= 0, iat= -1,2353, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 880, 885,
&end
#
# 58 TYR QE 149 VLC H2 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2372, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 880, 885,
&end
#
# 58 TYR QE 149 VLC H3 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1,2370, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 880, 885,
&end
#
# 58 TYR QE 149 VLC H4 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1,2366, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 880, 885,
&end
#
# 58 TYR QE 149 VLC H5 3.2
&rst
ixpk= 0, nxpk= 0, iat= -1,2356, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 880, 885,
&end
#
# 58 TYR QE 149 VLC H61 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2359, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 880, 885,
&end
#
# 58 TYR QE 149 VLC H62 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2358, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 880, 885,
&end
#
# 120 LYS QE 149 VLC H1 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1,2353, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1878,1879,
&end
#
# 120 LYS QE 149 VLC H3 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1,2370, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1878,1879,
&end
#
# 120 LYS QE 149 VLC H5 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1,2356, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1878,1879,
&end
#
# 120 LYS QD 147 WYB H61 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2312, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1875,1876,
&end
#
# 120 LYS QE 147 WYB H61 5
&rst
ixpk= 0, nxpk= 0, iat= -1,2312, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1878,1879,
&end
#
# 120 LYS QE 147 WYB H5 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1,2309, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1878,1879,
&end
#
# 122 GLN HA 146 APL H12 5
&rst
ixpk= 0, nxpk= 0, iat=1900,2303, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 122 GLN HA 146 APL H11 5.5
&rst
ixpk= 0, nxpk= 0, iat=1900,2302, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 122 GLN HA 147 WYB H5 6
&rst
ixpk= 0, nxpk= 0, iat=1900,2309, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 122 GLN HA 147 WYB H61 6
&rst
ixpk= 0, nxpk= 0, iat=1900,2312, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 122 GLN HA 146 APL Q2L 5.5
&rst
ixpk= 0, nxpk= 0, iat=1900, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2299,2300,
&end
#
# 122 GLN HA 146 APL Q3L 6
&rst
ixpk= 0, nxpk= 0, iat=1900, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2296,2297,
&end
#
# 122 GLN HB3 146 APL H12 5
&rst
ixpk= 0, nxpk= 0, iat=1903,2303, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 122 GLN HB3 146 APL H11 5.5
&rst
ixpk= 0, nxpk= 0, iat=1903,2302, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 122 GLN HB3 147 WYB H5 5.5
&rst
ixpk= 0, nxpk= 0, iat=1903,2309, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 122 GLN HB3 147 WYB H61 5.5
&rst
ixpk= 0, nxpk= 0, iat=1903,2312, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 122 GLN HB2 146 APL H12 5
&rst
ixpk= 0, nxpk= 0, iat=1902,2303, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 122 GLN HB2 146 APL H11 5.8
&rst
ixpk= 0, nxpk= 0, iat=1902,2302, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 122 GLN HB2 147 WYB H5 5.5
&rst
ixpk= 0, nxpk= 0, iat=1902,2309, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 122 GLN HB2 147 WYB H61 5.5
&rst
ixpk= 0, nxpk= 0, iat=1902,2312, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 122 GLN HG2 147 WYB H5 5.5
&rst
ixpk= 0, nxpk= 0, iat=1905,2309, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 122 GLN HG2 146 APL H12 5
&rst
ixpk= 0, nxpk= 0, iat=1905,2303, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 122 GLN HG2 146 APL H11 5.5
&rst
ixpk= 0, nxpk= 0, iat=1905,2302, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 122 GLN HG2 147 WYB H61 5.5
&rst
ixpk= 0, nxpk= 0, iat=1905,2312, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 122 GLN HG3 147 WYB H5 5.5
&rst
ixpk= 0, nxpk= 0, iat=1906,2309, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 122 GLN HG3 146 APL H12 5.5
&rst
ixpk= 0, nxpk= 0, iat=1906,2303, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 122 GLN HG3 146 APL H11 5.5
&rst
ixpk= 0, nxpk= 0, iat=1906,2302, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 122 GLN HG3 147 WYB H61 5.5
&rst
ixpk= 0, nxpk= 0, iat=1906,2312, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 123 LEU HA 146 APL Q3L 6
&rst
ixpk= 0, nxpk= 0, iat=1917, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2296,2297,
&end
#
# 123 LEU HB2 146 APL Q2L 6
&rst
ixpk= 0, nxpk= 0, iat=1919, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2299,2300,
&end
#
# 123 LEU HB2 146 APL Q3L 6
&rst
ixpk= 0, nxpk= 0, iat=1919, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2296,2297,
&end
#
# 123 LEU QD1 146 APL H11 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1,2302, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1924,1925,1926,
&end
#
# 123 LEU QD1 146 APL Q2L 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1924,1925,1926,
igr2=2299,2300,
&end
#
# 123 LEU QD1 146 APL Q3L 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1924,1925,1926,
igr2=2296,2297,
&end
#
# 123 LEU QD2 146 APL H11 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1,2302, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1928,1929,1930,
&end
#
# 123 LEU QD2 146 APL Q2L 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1928,1929,1930,
igr2=2299,2300,
&end
#
# 123 LEU QD2 146 APL Q3L 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1928,1929,1930,
igr2=2296,2297,
&end
#
# 58 TYR QE 148 0fA Q6 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 880, 885,
igr2=2337,2338,2339,
&end
#
# 150 0SA H3A 150 0SA H3E 2.727983054
&rst
ixpk= 0, nxpk= 0, iat=2382,2381, r1= 1.30, r2= 1.80, r3= 2.73, r4= 3.23,
rk2=20, rk3=20, ir6=1, ialtd=0,
&end
#
# 150 0SA H3A 150 0SA H4 3.406186668
&rst
ixpk= 0, nxpk= 0, iat=2382,2384, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 150 0SA H3A 150 0SA H5 3.302344325
&rst
ixpk= 0, nxpk= 0, iat=2382,2386, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 150 0SA H3A 150 0SA H6 4.004780615
&rst
ixpk= 0, nxpk= 0, iat=2382,2388, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 150 0SA H3E 150 0SA H4 3.304497318
&rst
ixpk= 0, nxpk= 0, iat=2381,2384, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 150 0SA H3E 150 0SA H5 4
&rst
ixpk= 0, nxpk= 0, iat=2381,2386, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 150 0SA H3E 150 0SA H6 4.2
&rst
ixpk= 0, nxpk= 0, iat=2381,2388, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 150 0SA H4 150 0SA H5 3.1
&rst
ixpk= 0, nxpk= 0, iat=2384,2386, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 150 0SA H4 150 0SA H6 3.004614695
&rst
ixpk= 0, nxpk= 0, iat=2384,2388, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 150 0SA H5 150 0SA H6 3.017224419
&rst
ixpk= 0, nxpk= 0, iat=2386,2388, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 150 0SA H5 150 0SA Q11 6.13138251
&rst
ixpk= 0, nxpk= 0, iat=2386, -1, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86,
igr2=2409,2408,2407,
&end
#
# 150 0SA H6 150 0SA H7 3.015094094
&rst
ixpk= 0, nxpk= 0, iat=2388,2390, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 150 0SA H6 150 0SA Q11 6.062648969
&rst
ixpk= 0, nxpk= 0, iat=2388, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr2=2409,2408,2407,
&end
#
# 150 0SA H7 150 0SA Q11 5.403368913
&rst
ixpk= 0, nxpk= 0, iat=2390, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2=2409,2408,2407,
&end
#
# 150 0SA H5N 150 0SA H4 3.995736772
&rst
ixpk= 0, nxpk= 0, iat=2404,2384, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 150 0SA H5N 150 0SA H5 4.254117534
&rst
ixpk= 0, nxpk= 0, iat=2404,2386, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 150 0SA H5N 150 0SA H6 4.254117534
&rst
ixpk= 0, nxpk= 0, iat=2404,2388, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 150 0SA H5N 150 0SA H7 4.254117534
&rst
ixpk= 0, nxpk= 0, iat=2404,2390, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 150 0SA H5N 150 0SA Q11 4.529681795
&rst
ixpk= 0, nxpk= 0, iat=2404, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=2409,2408,2407,
&end
#
# 149 VLC H1 149 VLC H2 3.304497318
&rst
ixpk= 0, nxpk= 0, iat=2353,2372, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 149 VLC H1 149 VLC H3 2.995420227
&rst
ixpk= 0, nxpk= 0, iat=2353,2370, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 149 VLC H1 149 VLC H5 2.826596237
&rst
ixpk= 0, nxpk= 0, iat=2353,2356, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end
#
# 149 VLC H2 149 VLC H3 3.372112711
&rst
ixpk= 0, nxpk= 0, iat=2372,2370, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 149 VLC H2 149 VLC H61 4.4
&rst
ixpk= 0, nxpk= 0, iat=2372,2359, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 149 VLC H3 149 VLC H4 2.692468634
&rst
ixpk= 0, nxpk= 0, iat=2370,2366, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19, &end
#
# 149 VLC H3 149 VLC H5 2.941815792
&rst
ixpk= 0, nxpk= 0, iat=2370,2356, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 149 VLC H4 149 VLC H5 2.822130555
&rst
ixpk= 0, nxpk= 0, iat=2366,2356, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, &end
#
# 149 VLC H4 149 VLC H61 3.2
&rst
ixpk= 0, nxpk= 0, iat=2366,2359, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 147 WYB H1 147 WYB H2 3.299134967
&rst
ixpk= 0, nxpk= 0, iat=2306,2321, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 147 WYB H1 147 WYB H3 3.149189735
&rst
ixpk= 0, nxpk= 0, iat=2306,2319, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 147 WYB H1 147 WYB H5 2.7
&rst
ixpk= 0, nxpk= 0, iat=2306,2309, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 147 WYB H1 147 WYB Q8 4.96022965
&rst
ixpk= 0, nxpk= 0, iat=2306, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=2329,2328,2327,
&end
#
# 147 WYB H1 146 APL H12 2.977665479
&rst
ixpk= 0, nxpk= 0, iat=2306,2303, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 147 WYB H1 146 APL H11 2.710460076
&rst
ixpk= 0, nxpk= 0, iat=2306,2302, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21, &end
#
# 147 WYB H1 146 APL Q2L 4.180236091
&rst
ixpk= 0, nxpk= 0, iat=2306, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2=2299,2300,
&end
#
# 147 WYB H1 146 APL Q3L 4.536912374
&rst
ixpk= 0, nxpk= 0, iat=2306, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=2296,2297,
&end
#
# 147 WYB H2 147 WYB Q8 4.590949465
&rst
ixpk= 0, nxpk= 0, iat=2321, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=2329,2328,2327,
&end
#
# 147 WYB H2 146 APL Q2L 4.90052859
&rst
ixpk= 0, nxpk= 0, iat=2321, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=2299,2300,
&end
#
# 147 WYB H2 146 APL Q3L 4.783838232
&rst
ixpk= 0, nxpk= 0, iat=2321, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=2296,2297,
&end
#
# 147 WYB H3 146 APL Q3L 5.188791129
&rst
ixpk= 0, nxpk= 0, iat=2319, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=2296,2297,
&end
#
# 147 WYB H3 147 WYB H5 3.275299119
&rst
ixpk= 0, nxpk= 0, iat=2319,2309, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 147 WYB H3 147 WYB Q8 5.374031412
&rst
ixpk= 0, nxpk= 0, iat=2319, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2=2329,2328,2327,
&end
#
# 147 WYB H4 147 WYB H5 3.376319753
&rst
ixpk= 0, nxpk= 0, iat=2316,2309, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 147 WYB H5 146 APL H12 5
&rst
ixpk= 0, nxpk= 0, iat=2309,2303, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 147 WYB H5 147 WYB H62 3.403470277
&rst
ixpk= 0, nxpk= 0, iat=2309,2311, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 147 WYB H5 147 WYB H61 3.2783336
&rst
ixpk= 0, nxpk= 0, iat=2309,2312, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 147 WYB H5 146 APL Q2L 6.0
&rst
ixpk= 0, nxpk= 0, iat=2309, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2299,2300,
&end
#
# 147 WYB Q8 146 APL H12 5.566290601
&rst
ixpk= 0, nxpk= 0, iat= -1,2303, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr1=2329,2328,2327,
&end
#
# 147 WYB Q8 146 APL H11 5.222166238
&rst
ixpk= 0, nxpk= 0, iat= -1,2302, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1=2329,2328,2327,
&end
#
# 147 WYB Q8 146 APL Q3L 4.660080954
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1=2329,2328,2327,
igr2=2296,2297,
&end
#
# 146 APL H12 146 APL H11 2.456450587
&rst
ixpk= 0, nxpk= 0, iat=2303,2302, r1= 1.30, r2= 1.80, r3= 2.46, r4= 2.96, &end
#
# 146 APL H12 146 APL Q2L 3.483311783
&rst
ixpk= 0, nxpk= 0, iat=2303, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2=2299,2300,
&end
#
# 146 APL H12 146 APL Q3L 4.513437068
&rst
ixpk= 0, nxpk= 0, iat=2303, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=2296,2297,
&end
#
# 146 APL H11 146 APL Q2L 3.347590078
&rst
ixpk= 0, nxpk= 0, iat=2302, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2=2299,2300,
&end
#
# 146 APL H11 146 APL Q3L 4.199984327
&rst
ixpk= 0, nxpk= 0, iat=2302, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=2296,2297,
&end
#
# 146 APL Q2L 146 APL Q3L 4.234535905
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=2299,2300,
igr2=2296,2297,
&end
#
# 147 WYB H2N 147 WYB H1 3.081680522
&rst
ixpk= 0, nxpk= 0, iat=2323,2306, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 147 WYB H2N 147 WYB H2 3.535349591
&rst
ixpk= 0, nxpk= 0, iat=2323,2321, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 147 WYB H2N 147 WYB H3 3.054534601
&rst
ixpk= 0, nxpk= 0, iat=2323,2319, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 147 WYB H2N 147 WYB H5 6
&rst
ixpk= 0, nxpk= 0, iat=2323,2309, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 147 WYB H2N 147 WYB Q8 3.341031583
&rst
ixpk= 0, nxpk= 0, iat=2323, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=2329,2328,2327,
&end
#
# 147 WYB H2N 146 APL H12 5.0
&rst
ixpk= 0, nxpk= 0, iat=2323,2303, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 147 WYB H2N 146 APL H11 4.000000000
&rst
ixpk= 0, nxpk= 0, iat=2323,2302, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 146 APL Q2L 147 WYB H2N 5.000000000
&rst
ixpk= 0, nxpk= 0, iat= -1,2323, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2299,2300,
&end
#
# 146 APL Q3L 147 WYB H2N 4.34310387
&rst
ixpk= 0, nxpk= 0, iat= -1,2323, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1=2296,2297,
&end
#
# 148 0fA H1 148 0fA H2 2.680415001
&rst
ixpk= 0, nxpk= 0, iat=2332,2349, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18, &end
#
# 148 0fA H1 148 0fA H5 4.180236091
&rst
ixpk= 0, nxpk= 0, iat=2332,2335, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 148 0fA H1 148 0fA Q6 4.509764419
&rst
ixpk= 0, nxpk= 0, iat=2332, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=2337,2338,2339,
&end
#
# 148 0fA H2 148 0fA H5 3.934805682
&rst
ixpk= 0, nxpk= 0, iat=2349,2335, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 148 0fA H2 148 0fA Q6 4.41789382
&rst
ixpk= 0, nxpk= 0, iat=2349, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=2337,2338,2339,
&end
#
# 148 0fA H3 148 0fA H5 3.780497125
&rst
ixpk= 0, nxpk= 0, iat=2345,2335, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 148 0fA H3 148 0fA Q6 4.712538556
&rst
ixpk= 0, nxpk= 0, iat=2345, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=2337,2338,2339,
&end
#
# 148 0fA H4 148 0fA H5 3.208338596
&rst
ixpk= 0, nxpk= 0, iat=2341,2335, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 148 0fA H4 148 0fA Q6 3.295949471
&rst
ixpk= 0, nxpk= 0, iat=2341, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=2337,2338,2339,
&end
#
# 148 0fA H5 148 0fA Q6 3.868375794
&rst
ixpk= 0, nxpk= 0, iat=2335, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=2337,2338,2339,
&end
#
# 150 0SA H3A 149 VLC H2 4.573924175
&rst
ixpk= 0, nxpk= 0, iat=2382,2372, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 150 0SA H3A 149 VLC H3 4.458475638
&rst
ixpk= 0, nxpk= 0, iat=2382,2370, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 150 0SA H3E 149 VLC H2 5.00
&rst
ixpk= 0, nxpk= 0, iat=2381,2372, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 150 0SA H3E 149 VLC H3 4.573924175
&rst
ixpk= 0, nxpk= 0, iat=2381,2370, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 150 0SA H6 149 VLC H3 4.20
&rst
ixpk= 0, nxpk= 0, iat=2388,2370, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 149 VLC H1 147 WYB H4 3.238153789
&rst
ixpk= 0, nxpk= 0, iat=2353,2316, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 149 VLC H1 148 0fA H5 4.47985762
&rst
ixpk= 0, nxpk= 0, iat=2353,2335, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 149 VLC H1 148 0fA Q6 5.178438869
&rst
ixpk= 0, nxpk= 0, iat=2353, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2=2337,2338,2339,
&end
#
# 149 VLC H2 148 0fA H1 6.0
&rst
ixpk= 0, nxpk= 0, iat=2372,2332, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 149 VLC H2 148 0fA H4 5
&rst
ixpk= 0, nxpk= 0, iat=2372,2341, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 149 VLC H2 148 0fA H5 3.464304955
&rst
ixpk= 0, nxpk= 0, iat=2372,2335, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 149 VLC H2 148 0fA Q6 3.422843218
&rst
ixpk= 0, nxpk= 0, iat=2372, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=2337,2338,2339,
&end
#
# 149 VLC H3 148 0fA H5 5.222166238
&rst
ixpk= 0, nxpk= 0, iat=2370,2335, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 149 VLC H3 148 0fA Q6 5.320268564
&rst
ixpk= 0, nxpk= 0, iat=2370, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2=2337,2338,2339,
&end
#
# 149 VLC H4 148 0fA Q6 5.136084121
&rst
ixpk= 0, nxpk= 0, iat=2366, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2337,2338,2339,
&end
#
# 149 VLC H61 148 0fA H3 3.255605667
&rst
ixpk= 0, nxpk= 0, iat=2359,2345, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 149 VLC H61 148 0fA H5 4.685151592
&rst
ixpk= 0, nxpk= 0, iat=2359,2335, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 149 VLC H61 148 0fA H4 3.523882614
&rst
ixpk= 0, nxpk= 0, iat=2359,2341, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 149 VLC H61 148 0fA Q6 4.944564495
&rst
ixpk= 0, nxpk= 0, iat=2359, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=2337,2338,2339,
&end
#
# 147 WYB H2N 148 0fA H1 2.993908916
&rst
ixpk= 0, nxpk= 0, iat=2323,2332, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 147 WYB H1 148 0fA H1 5
&rst
ixpk= 0, nxpk= 0, iat=2306,2332, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 147 WYB H3 148 0fA H1 3.117695694
&rst
ixpk= 0, nxpk= 0, iat=2319,2332, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 147 WYB H3 148 0fA H5 3.831338691
&rst
ixpk= 0, nxpk= 0, iat=2319,2335, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 147 WYB H3 148 0fA Q6 4.448066247
&rst
ixpk= 0, nxpk= 0, iat=2319, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=2337,2338,2339,
&end
#
# 147 WYB H4 148 0fA H5 4.5250606
&rst
ixpk= 0, nxpk= 0, iat=2316,2335, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 147 WYB H5 148 0fA H1 5
&rst
ixpk= 0, nxpk= 0, iat=2309,2332, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 147 WYB Q8 148 0fA H1 3.838071534
&rst
ixpk= 0, nxpk= 0, iat= -1,2332, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=2329,2328,2327,
&end
#
# 147 WYB Q8 148 0fA H2 4.69559187
&rst
ixpk= 0, nxpk= 0, iat= -1,2349, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=2329,2328,2327,
&end
#
# 147 WYB Q8 148 0fA H3 5.360625508
&rst
ixpk= 0, nxpk= 0, iat= -1,2345, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1=2329,2328,2327,
&end
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