NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
576122 |
2m88   |
19232 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 45 LYS H 46 GLU H 5.06
&rst
ixpk= 0, nxpk= 0, iat= 699, 721, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
&end
#
# 46 GLU H 48 ASP H 5.14
&rst
ixpk= 0, nxpk= 0, iat= 721, 760, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 46 GLU H 47 TRP H 3.75
&rst
ixpk= 0, nxpk= 0, iat= 721, 736, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 19 TYR H 20 ASP H 4.18
&rst
ixpk= 0, nxpk= 0, iat= 286, 307, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 151 PHE H 152 GLU H 5.05
&rst
ixpk= 0, nxpk= 0, iat=2368,2388, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 35 LEU H 36 PHE H 4.99
&rst
ixpk= 0, nxpk= 0, iat= 547, 566, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 125 THR H 126 ASP H 4.45
&rst
ixpk= 0, nxpk= 0, iat=1995,2009, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 124 LEU H 125 THR H 4.71
&rst
ixpk= 0, nxpk= 0, iat=1976,1995, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 73 VAL H 74 LYS H 5.1
&rst
ixpk= 0, nxpk= 0, iat=1161,1177, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 37 ILE H 73 VAL H 4.81
&rst
ixpk= 0, nxpk= 0, iat= 586,1161, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 72 PHE H 73 VAL H 4.83
&rst
ixpk= 0, nxpk= 0, iat=1141,1161, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 36 PHE H 73 VAL H 5.42
&rst
ixpk= 0, nxpk= 0, iat= 566,1161, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 141 SER H 143 GLN H 4.71
&rst
ixpk= 0, nxpk= 0, iat=2228,2246, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 141 SER H 142 GLY H 3.34
&rst
ixpk= 0, nxpk= 0, iat=2228,2239, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 34 THR H 35 LEU H 5.22
&rst
ixpk= 0, nxpk= 0, iat= 533, 547, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 34 THR H 101 GLY H 4.6
&rst
ixpk= 0, nxpk= 0, iat= 533,1631, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 78 ARG H 79 HIE H 3.73
&rst
ixpk= 0, nxpk= 0, iat=1247,1271, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 78 ARG H 80 GLU H 5.18
&rst
ixpk= 0, nxpk= 0, iat=1247,1288, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 35 LEU H 101 GLY H 5.68
&rst
ixpk= 0, nxpk= 0, iat= 547,1631, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 100 TRP H 101 GLY H 4.96
&rst
ixpk= 0, nxpk= 0, iat=1607,1631, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 45 LYS H 48 ASP H 4.62
&rst
ixpk= 0, nxpk= 0, iat= 699, 760, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 45 LYS H 49 LEU H 5.62
&rst
ixpk= 0, nxpk= 0, iat= 699, 772, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 130 LYS H 131 TRP H 4.1
&rst
ixpk= 0, nxpk= 0, iat=2065,2087, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 131 TRP H 133 VAL H 5.97
&rst
ixpk= 0, nxpk= 0, iat=2087,2122, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, &end
#
# 36 PHE H 99 ARG H 3.98
&rst
ixpk= 0, nxpk= 0, iat= 566,1583, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 36 PHE H 100 TRP H 5.41
&rst
ixpk= 0, nxpk= 0, iat= 566,1607, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 18 SER H 19 TYR H 4.9
&rst
ixpk= 0, nxpk= 0, iat= 275, 286, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 117 SER H 118 ILE H 5.18
&rst
ixpk= 0, nxpk= 0, iat=1855,1866, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 116 TYR H 117 SER H 4.88
&rst
ixpk= 0, nxpk= 0, iat=1834,1855, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 70 HIE H 71 ALA H 4.89
&rst
ixpk= 0, nxpk= 0, iat=1114,1131, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 63 ILE H 64 LEU H 4.63
&rst
ixpk= 0, nxpk= 0, iat= 991,1010, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 62 VAL H 63 ILE H 4.86
&rst
ixpk= 0, nxpk= 0, iat= 975, 991, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 63 ILE H 73 VAL H 5.49
&rst
ixpk= 0, nxpk= 0, iat= 991,1161, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 59 VAL H 60 GLN H 5.12
&rst
ixpk= 0, nxpk= 0, iat= 931, 947, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 74 LYS H 75 VAL H 5.03
&rst
ixpk= 0, nxpk= 0, iat=1177,1199, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 60 GLN H 61 SER H 3.62
&rst
ixpk= 0, nxpk= 0, iat= 947, 964, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 29 LYS H 30 VAL H 3.78
&rst
ixpk= 0, nxpk= 0, iat= 439, 461, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 30 VAL H 31 TYR H 5.05
&rst
ixpk= 0, nxpk= 0, iat= 461, 477, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 89 ASN H 90 LYS H 3.79
&rst
ixpk= 0, nxpk= 0, iat=1428,1442, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 140 THR H 141 SER H 3.56
&rst
ixpk= 0, nxpk= 0, iat=2214,2228, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 81 ALA H 82 GLU H 3.56
&rst
ixpk= 0, nxpk= 0, iat=1303,1313, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 93 ALA H 94 LEU H 3.47
&rst
ixpk= 0, nxpk= 0, iat=1483,1493, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 79 HIE H 82 GLU H 5.68
&rst
ixpk= 0, nxpk= 0, iat=1271,1313, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 82 GLU H 84 VAL H 4.77
&rst
ixpk= 0, nxpk= 0, iat=1313,1342, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 80 GLU H 82 GLU H 5.09
&rst
ixpk= 0, nxpk= 0, iat=1288,1313, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 111 ASP H 115 GLY H 5.71
&rst
ixpk= 0, nxpk= 0, iat=1760,1827, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end
#
# 115 GLY H 116 TYR H 3.43
&rst
ixpk= 0, nxpk= 0, iat=1827,1834, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 114 HIE H 115 GLY H 3.39
&rst
ixpk= 0, nxpk= 0, iat=1810,1827, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 146 VAL H 147 THR H 4.03
&rst
ixpk= 0, nxpk= 0, iat=2296,2312, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 147 THR H 148 GLY H 4.34
&rst
ixpk= 0, nxpk= 0, iat=2312,2326, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 96 LEU H 97 ARG H 5
&rst
ixpk= 0, nxpk= 0, iat=1526,1545, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 85 LEU H 88 PHE H 5.6
&rst
ixpk= 0, nxpk= 0, iat=1358,1408, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 111 ASP H 112 TYR H 4.99
&rst
ixpk= 0, nxpk= 0, iat=1760,1772, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 149 ILE H 150 VAL H 4.32
&rst
ixpk= 0, nxpk= 0, iat=2333,2352, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 150 VAL H 151 PHE H 4.29
&rst
ixpk= 0, nxpk= 0, iat=2352,2368, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 148 GLY H 150 VAL H 4.89
&rst
ixpk= 0, nxpk= 0, iat=2326,2352, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 101 GLY H 102 VAL H 5.02
&rst
ixpk= 0, nxpk= 0, iat=1631,1638, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 111 ASP H 113 GLN H 5.35
&rst
ixpk= 0, nxpk= 0, iat=1760,1793, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 112 TYR H 113 GLN H 3.39
&rst
ixpk= 0, nxpk= 0, iat=1772,1793, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 90 LYS H 91 ASP H 3.49
&rst
ixpk= 0, nxpk= 0, iat=1442,1464, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 91 ASP H 92 GLY H 3.43
&rst
ixpk= 0, nxpk= 0, iat=1464,1476, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 43 ASN H 44 MET H 3.56
&rst
ixpk= 0, nxpk= 0, iat= 668, 682, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 42 LEU H 43 ASN H 4.99
&rst
ixpk= 0, nxpk= 0, iat= 649, 668, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 85 LEU H 86 GLN H 3.5
&rst
ixpk= 0, nxpk= 0, iat=1358,1377, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 84 VAL H 86 GLN H 4.88
&rst
ixpk= 0, nxpk= 0, iat=1342,1377, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 86 GLN H 87 ASN H 3.69
&rst
ixpk= 0, nxpk= 0, iat=1377,1394, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 26 ASP H 27 HIE H 4.81
&rst
ixpk= 0, nxpk= 0, iat= 391, 403, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 129 LYS H 130 LYS H 4.02
&rst
ixpk= 0, nxpk= 0, iat=2043,2065, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 27 HIE H 28 ILE H 5.14
&rst
ixpk= 0, nxpk= 0, iat= 403, 420, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 142 GLY H 143 GLN H 3.33
&rst
ixpk= 0, nxpk= 0, iat=2239,2246, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 131 TRP H 132 SER H 3.74
&rst
ixpk= 0, nxpk= 0, iat=2087,2111, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 132 SER H 134 SER H 5.01
&rst
ixpk= 0, nxpk= 0, iat=2111,2138, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 140 THR H 142 GLY H 4.72
&rst
ixpk= 0, nxpk= 0, iat=2214,2239, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 121 MET H 122 HIE H 3.84
&rst
ixpk= 0, nxpk= 0, iat=1918,1935, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 122 HIE H 123 ARG H 3.97
&rst
ixpk= 0, nxpk= 0, iat=1935,1952, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 52 VAL H 53 LEU H 3.33
&rst
ixpk= 0, nxpk= 0, iat= 815, 831, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 47 TRP H 48 ASP H 3.51
&rst
ixpk= 0, nxpk= 0, iat= 736, 760, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 82 GLU H 83 ASN H 3.6
&rst
ixpk= 0, nxpk= 0, iat=1313,1328, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 50 ALA H 51 ASN H 3.26
&rst
ixpk= 0, nxpk= 0, iat= 791, 801, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 134 SER H 135 ALA H 3.82
&rst
ixpk= 0, nxpk= 0, iat=2138,2149, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 49 LEU H 50 ALA H 3.58
&rst
ixpk= 0, nxpk= 0, iat= 772, 791, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 48 ASP H 50 ALA H 4.92
&rst
ixpk= 0, nxpk= 0, iat= 760, 791, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 50 ALA H 53 LEU H 5.46
&rst
ixpk= 0, nxpk= 0, iat= 791, 831, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 79 HIE H 80 GLU H 3.58
&rst
ixpk= 0, nxpk= 0, iat=1271,1288, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 69 LYS H 70 HIE H 3.67
&rst
ixpk= 0, nxpk= 0, iat=1092,1114, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 87 ASN H 88 PHE H 3.44
&rst
ixpk= 0, nxpk= 0, iat=1394,1408, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 61 SER H 62 VAL H 5
&rst
ixpk= 0, nxpk= 0, iat= 964, 975, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 48 ASP H 49 LEU H 3.79
&rst
ixpk= 0, nxpk= 0, iat= 760, 772, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 49 LEU H 52 VAL H 5.56
&rst
ixpk= 0, nxpk= 0, iat= 772, 815, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 91 ASP H 93 ALA H 5.05
&rst
ixpk= 0, nxpk= 0, iat=1464,1483, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 92 GLY H 93 ALA H 3.22
&rst
ixpk= 0, nxpk= 0, iat=1476,1483, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 44 MET H 45 LYS H 4.14
&rst
ixpk= 0, nxpk= 0, iat= 682, 699, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 39 GLY H 40 VAL H 3.57
&rst
ixpk= 0, nxpk= 0, iat= 612, 619, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 104 PHE H 105 GLY H 5.1
&rst
ixpk= 0, nxpk= 0, iat=1661,1681, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 75 VAL H 77 SER H 5.64
&rst
ixpk= 0, nxpk= 0, iat=1199,1236, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 77 SER H 80 GLU H 5.06
&rst
ixpk= 0, nxpk= 0, iat=1236,1288, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 110 CYS H 111 ASP H 5.18
&rst
ixpk= 0, nxpk= 0, iat=1749,1760, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 77 SER H 81 ALA H 5.38
&rst
ixpk= 0, nxpk= 0, iat=1236,1303, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 52 VAL H 54 LYS H 4.64
&rst
ixpk= 0, nxpk= 0, iat= 815, 850, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 51 ASN H 54 LYS H 5.03
&rst
ixpk= 0, nxpk= 0, iat= 801, 850, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 75 VAL H 76 TYR H 5.09
&rst
ixpk= 0, nxpk= 0, iat=1199,1215, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 76 TYR H 77 SER H 3.94
&rst
ixpk= 0, nxpk= 0, iat=1215,1236, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 53 LEU H 54 LYS H 3.12
&rst
ixpk= 0, nxpk= 0, iat= 831, 850, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 109 CYS H 110 CYS H 3.22
&rst
ixpk= 0, nxpk= 0, iat=1738,1749, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 113 GLN H 114 HIE H 3.95
&rst
ixpk= 0, nxpk= 0, iat=1793,1810, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 51 ASN H 53 LEU H 4.73
&rst
ixpk= 0, nxpk= 0, iat= 801, 831, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 22 THR H 23 LEU H 3.43
&rst
ixpk= 0, nxpk= 0, iat= 330, 344, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 48 ASP H 51 ASN H 5.15
&rst
ixpk= 0, nxpk= 0, iat= 760, 801, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 133 VAL H 134 SER H 3.5
&rst
ixpk= 0, nxpk= 0, iat=2122,2138, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 132 SER H 133 VAL H 4.02
&rst
ixpk= 0, nxpk= 0, iat=2111,2122, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 145 LEU H 146 VAL H 4.07
&rst
ixpk= 0, nxpk= 0, iat=2277,2296, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 146 VAL H 148 GLY H 5.63
&rst
ixpk= 0, nxpk= 0, iat=2296,2326, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 52 VAL HB 53 LEU H 4.7
&rst
ixpk= 0, nxpk= 0, iat= 819, 831, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 52 VAL H 52 VAL HB 4.49
&rst
ixpk= 0, nxpk= 0, iat= 815, 819, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 146 VAL HB 147 THR H 5
&rst
ixpk= 0, nxpk= 0, iat=2300,2312, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 146 VAL H 146 VAL HB 4.54
&rst
ixpk= 0, nxpk= 0, iat=2296,2300, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 84 VAL HB 85 LEU H 4.39
&rst
ixpk= 0, nxpk= 0, iat=1346,1358, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 84 VAL H 84 VAL HB 4.34
&rst
ixpk= 0, nxpk= 0, iat=1342,1346, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 102 VAL H 102 VAL HB 4.54
&rst
ixpk= 0, nxpk= 0, iat=1638,1642, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 158 VAL H 158 VAL HB 4.44
&rst
ixpk= 0, nxpk= 0, iat=2482,2486, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 150 VAL H 150 VAL HB 4.56
&rst
ixpk= 0, nxpk= 0, iat=2352,2356, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 133 VAL HB 142 GLY H 5.63
&rst
ixpk= 0, nxpk= 0, iat=2126,2239, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 62 VAL H 62 VAL HB 4.22
&rst
ixpk= 0, nxpk= 0, iat= 975, 979, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 73 VAL H 73 VAL HB 4.45
&rst
ixpk= 0, nxpk= 0, iat=1161,1165, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 59 VAL H 59 VAL HB 3.94
&rst
ixpk= 0, nxpk= 0, iat= 931, 935, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 42 LEU H 42 LEU HG 4.59
&rst
ixpk= 0, nxpk= 0, iat= 649, 656, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 145 LEU H 145 LEU HG 3.5
&rst
ixpk= 0, nxpk= 0, iat=2277,2284, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 LEU H 23 LEU HG 4.78
&rst
ixpk= 0, nxpk= 0, iat= 344, 351, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 124 LEU H 124 LEU HG 5.5
&rst
ixpk= 0, nxpk= 0, iat=1976,1983, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 93 ALA H 94 LEU HG 5.81
&rst
ixpk= 0, nxpk= 0, iat=1483,1500, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end
#
# 94 LEU H 94 LEU HG 3.92
&rst
ixpk= 0, nxpk= 0, iat=1493,1500, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 35 LEU H 35 LEU HG 5.23
&rst
ixpk= 0, nxpk= 0, iat= 547, 554, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 96 LEU H 96 LEU HG 4.76
&rst
ixpk= 0, nxpk= 0, iat=1526,1533, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 40 VAL H 40 VAL HB 4.54
&rst
ixpk= 0, nxpk= 0, iat= 619, 623, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 49 LEU H 49 LEU HG 4.68
&rst
ixpk= 0, nxpk= 0, iat= 772, 779, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 53 LEU H 53 LEU HG 5
&rst
ixpk= 0, nxpk= 0, iat= 831, 838, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 63 ILE H 63 ILE QG1 4.36
&rst
ixpk= 0, nxpk= 0, iat= 991, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1001,1002,
&end
#
# 37 ILE H 37 ILE QG1 4.38
&rst
ixpk= 0, nxpk= 0, iat= 586, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 596, 597,
&end
#
# 36 PHE H 37 ILE QG1 5.87
&rst
ixpk= 0, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2= 596, 597,
&end
#
# 85 LEU H 85 LEU HG 4.61
&rst
ixpk= 0, nxpk= 0, iat=1358,1365, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 146 VAL QG2 147 THR H 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1,2312, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1=2306,2307,2308,
&end
#
# 146 VAL H 146 VAL QG2 3.35
&rst
ixpk= 0, nxpk= 0, iat=2296, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=2306,2307,2308,
&end
#
# 17 VAL QG2 148 GLY H 5.71
&rst
ixpk= 0, nxpk= 0, iat= -1,2326, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr1= 269, 270, 271,
&end
#
# 17 VAL QG2 18 SER H 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 269, 270, 271,
&end
#
# 37 ILE QG1 38 GLY H 5.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 605, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 596, 597,
&end
#
# 102 VAL QG1 104 PHE H 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1661, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1=1644,1645,1646,
&end
#
# 102 VAL H 102 VAL QG1 3.56
&rst
ixpk= 0, nxpk= 0, iat=1638, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=1644,1645,1646,
&end
#
# 35 LEU H 75 VAL QG2 4.97
&rst
ixpk= 0, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=1209,1210,1211,
&end
#
# 75 VAL QG2 81 ALA H 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1,1303, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1209,1210,1211,
&end
#
# 75 VAL H 75 VAL QG2 3.18
&rst
ixpk= 0, nxpk= 0, iat=1199, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1209,1210,1211,
&end
#
# 75 VAL QG2 80 GLU H 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1288, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1=1209,1210,1211,
&end
#
# 75 VAL QG2 82 GLU H 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1,1313, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1209,1210,1211,
&end
#
# 158 VAL H 158 VAL QG2 4.14
&rst
ixpk= 0, nxpk= 0, iat=2482, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=2492,2493,2494,
&end
#
# 133 VAL QG1 134 SER H 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1,2138, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=2128,2129,2130,
&end
#
# 149 ILE H 149 ILE QD1 3.81
&rst
ixpk= 0, nxpk= 0, iat=2333, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=2346,2347,2348,
&end
#
# 146 VAL H 146 VAL QG1 3.35
&rst
ixpk= 0, nxpk= 0, iat=2296, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=2302,2303,2304,
&end
#
# 124 LEU QD2 125 THR H 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1,1995, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1989,1990,1991,
&end
#
# 148 GLY H 149 ILE QD1 4.39
&rst
ixpk= 0, nxpk= 0, iat=2326, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=2346,2347,2348,
&end
#
# 84 VAL QG2 85 LEU H 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1358, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1352,1353,1354,
&end
#
# 58 GLU H 84 VAL QG2 5.26
&rst
ixpk= 0, nxpk= 0, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2=1352,1353,1354,
&end
#
# 83 ASN H 84 VAL QG2 4.74
&rst
ixpk= 0, nxpk= 0, iat=1328, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1352,1353,1354,
&end
#
# 84 VAL H 84 VAL QG2 3.19
&rst
ixpk= 0, nxpk= 0, iat=1342, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=1352,1353,1354,
&end
#
# 150 VAL QG1 151 PHE H 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1,2368, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=2358,2359,2360,
&end
#
# 19 TYR H 150 VAL QG1 4.67
&rst
ixpk= 0, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2358,2359,2360,
&end
#
# 20 ASP H 150 VAL QG1 3.5
&rst
ixpk= 0, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2358,2359,2360,
&end
#
# 40 VAL QG2 44 MET H 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 682, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 629, 630, 631,
&end
#
# 40 VAL H 40 VAL QG2 3.99
&rst
ixpk= 0, nxpk= 0, iat= 619, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 629, 630, 631,
&end
#
# 39 GLY H 40 VAL QG2 4.64
&rst
ixpk= 0, nxpk= 0, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 629, 630, 631,
&end
#
# 131 TRP HE1 157 ILE QD1 5.02
&rst
ixpk= 0, nxpk= 0, iat=2097, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=2476,2477,2478,
&end
#
# 157 ILE QD1 158 VAL H 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1,2482, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1=2476,2477,2478,
&end
#
# 145 LEU QD1 146 VAL H 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1,2296, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1=2286,2287,2288,
&end
#
# 62 VAL QG2 74 LYS H 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1177, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 985, 986, 987,
&end
#
# 28 ILE QD1 30 VAL H 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 461, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 433, 434, 435,
&end
#
# 50 ALA H 62 VAL QG2 3.97
&rst
ixpk= 0, nxpk= 0, iat= 791, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 985, 986, 987,
&end
#
# 145 LEU H 145 LEU QD1 4.19
&rst
ixpk= 0, nxpk= 0, iat=2277, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=2286,2287,2288,
&end
#
# 61 SER H 62 VAL QG2 4.26
&rst
ixpk= 0, nxpk= 0, iat= 964, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 985, 986, 987,
&end
#
# 62 VAL QG1 63 ILE H 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 991, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 981, 982, 983,
&end
#
# 96 LEU QD2 97 ARG H 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1545, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1=1539,1540,1541,
&end
#
# 28 ILE QD1 29 LYS H 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 439, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 433, 434, 435,
&end
#
# 39 GLY H 96 LEU QD2 5.2
&rst
ixpk= 0, nxpk= 0, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2=1539,1540,1541,
&end
#
# 133 VAL QG2 143 GLN H 5
&rst
ixpk= 0, nxpk= 0, iat= -1,2246, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2132,2133,2134,
&end
#
# 44 MET H 64 LEU QD1 5.14
&rst
ixpk= 0, nxpk= 0, iat= 682, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1019,1020,1021,
&end
#
# 40 VAL H 96 LEU QD2 4.09
&rst
ixpk= 0, nxpk= 0, iat= 619, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1539,1540,1541,
&end
#
# 49 LEU H 64 LEU QD1 4.6
&rst
ixpk= 0, nxpk= 0, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1019,1020,1021,
&end
#
# 124 LEU H 124 LEU QD1 4.89
&rst
ixpk= 0, nxpk= 0, iat=1976, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=1985,1986,1987,
&end
#
# 48 ASP H 64 LEU QD1 4.87
&rst
ixpk= 0, nxpk= 0, iat= 760, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1019,1020,1021,
&end
#
# 124 LEU QD1 125 THR H 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1995, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=1985,1986,1987,
&end
#
# 47 TRP H 62 VAL QG1 5.64
&rst
ixpk= 0, nxpk= 0, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr2= 981, 982, 983,
&end
#
# 133 VAL QG2 134 SER H 4.8
&rst
ixpk= 0, nxpk= 0, iat= -1,2138, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=2132,2133,2134,
&end
#
# 38 GLY H 96 LEU QD2 4.56
&rst
ixpk= 0, nxpk= 0, iat= 605, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1539,1540,1541,
&end
#
# 132 SER H 133 VAL QG2 5.1
&rst
ixpk= 0, nxpk= 0, iat=2111, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=2132,2133,2134,
&end
#
# 133 VAL QG2 142 GLY H 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1,2239, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2132,2133,2134,
&end
#
# 54 LYS H 59 VAL QG1 5.37
&rst
ixpk= 0, nxpk= 0, iat= 850, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2= 937, 938, 939,
&end
#
# 73 VAL QG2 74 LYS H 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1177, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1171,1172,1173,
&end
#
# 37 ILE H 73 VAL QG1 4.33
&rst
ixpk= 0, nxpk= 0, iat= 586, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1167,1168,1169,
&end
#
# 35 LEU H 73 VAL QG2 4.28
&rst
ixpk= 0, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1171,1172,1173,
&end
#
# 73 VAL H 73 VAL QG1 3.62
&rst
ixpk= 0, nxpk= 0, iat=1161, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2=1167,1168,1169,
&end
#
# 73 VAL H 73 VAL QG2 3.79
&rst
ixpk= 0, nxpk= 0, iat=1161, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1171,1172,1173,
&end
#
# 59 VAL H 59 VAL QG1 3.15
&rst
ixpk= 0, nxpk= 0, iat= 931, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 937, 938, 939,
&end
#
# 23 LEU H 23 LEU QD1 4.66
&rst
ixpk= 0, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 353, 354, 355,
&end
#
# 58 GLU H 59 VAL QG1 4.85
&rst
ixpk= 0, nxpk= 0, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2= 937, 938, 939,
&end
#
# 72 PHE H 73 VAL QG1 4.67
&rst
ixpk= 0, nxpk= 0, iat=1141, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1167,1168,1169,
&end
#
# 53 LEU H 59 VAL QG1 5.12
&rst
ixpk= 0, nxpk= 0, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2= 937, 938, 939,
&end
#
# 44 MET H 64 LEU QD2 5.39
&rst
ixpk= 0, nxpk= 0, iat= 682, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2=1023,1024,1025,
&end
#
# 64 LEU QD2 71 ALA H 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1131, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=1023,1024,1025,
&end
#
# 102 VAL QG2 103 GLY H 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1654, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1648,1649,1650,
&end
#
# 150 VAL QG2 151 PHE H 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1,2368, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=2362,2363,2364,
&end
#
# 19 TYR H 150 VAL QG2 5.53
&rst
ixpk= 0, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr2=2362,2363,2364,
&end
#
# 59 VAL QG2 60 GLN H 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 947, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 941, 942, 943,
&end
#
# 75 VAL QG1 81 ALA H 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1303, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=1205,1206,1207,
&end
#
# 59 VAL QG2 75 VAL H 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1199, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 941, 942, 943,
&end
#
# 59 VAL QG2 61 SER H 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 964, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 941, 942, 943,
&end
#
# 35 LEU QD2 36 PHE H 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 560, 561, 562,
&end
#
# 30 VAL QG1 31 TYR H 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 477, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 467, 468, 469,
&end
#
# 28 ILE QG1 30 VAL H 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 461, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 430, 431,
&end
#
# 84 VAL QG1 88 PHE H 4.9
&rst
ixpk= 0, nxpk= 0, iat= -1,1408, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1348,1349,1350,
&end
#
# 37 ILE H 37 ILE QD1 4.05
&rst
ixpk= 0, nxpk= 0, iat= 586, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 599, 600, 601,
&end
#
# 37 ILE QD1 73 VAL H 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1161, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 599, 600, 601,
&end
#
# 40 VAL H 40 VAL QG1 3.28
&rst
ixpk= 0, nxpk= 0, iat= 619, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 625, 626, 627,
&end
#
# 84 VAL QG1 85 LEU H 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1,1358, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=1348,1349,1350,
&end
#
# 37 ILE QD1 38 GLY H 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 605, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 599, 600, 601,
&end
#
# 39 GLY H 40 VAL QG1 4.26
&rst
ixpk= 0, nxpk= 0, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 625, 626, 627,
&end
#
# 35 LEU QD1 36 PHE H 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 556, 557, 558,
&end
#
# 35 LEU QD1 100 TRP H 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1607, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 556, 557, 558,
&end
#
# 35 LEU QD1 101 GLY H 4.8
&rst
ixpk= 0, nxpk= 0, iat= -1,1631, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 556, 557, 558,
&end
#
# 53 LEU QD2 59 VAL H 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 931, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 844, 845, 846,
&end
#
# 53 LEU QD2 54 LYS H 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 850, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 844, 845, 846,
&end
#
# 53 LEU H 53 LEU QD2 4.2
&rst
ixpk= 0, nxpk= 0, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 844, 845, 846,
&end
#
# 36 PHE H 85 LEU QD1 5.86
&rst
ixpk= 0, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr2=1367,1368,1369,
&end
#
# 85 LEU QD1 99 ARG H 4.6
&rst
ixpk= 0, nxpk= 0, iat= -1,1583, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1367,1368,1369,
&end
#
# 85 LEU H 85 LEU QD1 4.23
&rst
ixpk= 0, nxpk= 0, iat=1358, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1367,1368,1369,
&end
#
# 85 LEU QD1 86 GLN H 5
&rst
ixpk= 0, nxpk= 0, iat= -1,1377, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1367,1368,1369,
&end
#
# 29 LYS H 30 VAL QG2 4.35
&rst
ixpk= 0, nxpk= 0, iat= 439, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 471, 472, 473,
&end
#
# 30 VAL H 30 VAL QG2 3.64
&rst
ixpk= 0, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 471, 472, 473,
&end
#
# 30 VAL QG2 151 PHE H 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1,2368, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 471, 472, 473,
&end
#
# 85 LEU QD2 100 TRP HE1 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1,1617, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=1371,1372,1373,
&end
#
# 85 LEU QD2 86 GLN H 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1377, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1371,1372,1373,
&end
#
# 85 LEU H 85 LEU QD2 4.19
&rst
ixpk= 0, nxpk= 0, iat=1358, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1371,1372,1373,
&end
#
# 84 VAL H 85 LEU QD2 4.74
&rst
ixpk= 0, nxpk= 0, iat=1342, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1371,1372,1373,
&end
#
# 53 LEU QD1 54 LYS H 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 850, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 840, 841, 842,
&end
#
# 53 LEU H 53 LEU QD1 4.17
&rst
ixpk= 0, nxpk= 0, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 840, 841, 842,
&end
#
# 40 VAL QG2 69 LYS H 5.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr1= 629, 630, 631,
&end
#
# 64 LEU H 64 LEU QD2 4.95
&rst
ixpk= 0, nxpk= 0, iat=1010, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=1023,1024,1025,
&end
#
# 122 HIE H 124 LEU H 5.89
&rst
ixpk= 0, nxpk= 0, iat=1935,1976, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, &end
#
# 121 MET H 124 LEU H 6
&rst
ixpk= 0, nxpk= 0, iat=1918,1976, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 32 SER H 33 ARG H 5.32
&rst
ixpk= 0, nxpk= 0, iat= 498, 509, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 125 THR H 127 ALA H 5.84
&rst
ixpk= 0, nxpk= 0, iat=1995,2021, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end
#
# 124 LEU H 127 ALA H 5.95
&rst
ixpk= 0, nxpk= 0, iat=1976,2021, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end
#
# 128 ASP H 129 LYS H 4.14
&rst
ixpk= 0, nxpk= 0, iat=2031,2043, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 127 ALA H 128 ASP H 4.07
&rst
ixpk= 0, nxpk= 0, iat=2021,2031, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 140 THR H 143 GLN H 6
&rst
ixpk= 0, nxpk= 0, iat=2214,2246, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 143 GLN H 145 LEU H 5.58
&rst
ixpk= 0, nxpk= 0, iat=2246,2277, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 60 GLN H 76 TYR H 5.15
&rst
ixpk= 0, nxpk= 0, iat= 947,1215, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 60 GLN H 75 VAL H 6
&rst
ixpk= 0, nxpk= 0, iat= 947,1199, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 100 TRP H 100 TRP HE1 4.95
&rst
ixpk= 0, nxpk= 0, iat=1607,1617, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 35 LEU QD1 100 TRP HE1 5.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1617, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 556, 557, 558,
&end
#
# 136 GLN H 137 TRP H 5.02
&rst
ixpk= 0, nxpk= 0, iat=2159,2176, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 137 TRP H 137 TRP HE1 6
&rst
ixpk= 0, nxpk= 0, iat=2176,2186, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 84 VAL H 85 LEU H 3.72
&rst
ixpk= 0, nxpk= 0, iat=1342,1358, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 85 LEU HG 86 GLN H 5.79
&rst
ixpk= 0, nxpk= 0, iat=1365,1377, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end
#
# 84 VAL HB 86 GLN H 5.49
&rst
ixpk= 0, nxpk= 0, iat=1346,1377, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 18 SER H 150 VAL QG2 5.05
&rst
ixpk= 0, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=2362,2363,2364,
&end
#
# 18 SER H 150 VAL HB 5.04
&rst
ixpk= 0, nxpk= 0, iat= 275,2356, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 40 VAL H 71 ALA H 6
&rst
ixpk= 0, nxpk= 0, iat= 619,1131, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 40 VAL H 97 ARG H 5.26
&rst
ixpk= 0, nxpk= 0, iat= 619,1545, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 40 VAL H 49 LEU QD1 5.61
&rst
ixpk= 0, nxpk= 0, iat= 619, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 781, 782, 783,
&end
#
# 40 VAL H 64 LEU QD2 5.65
&rst
ixpk= 0, nxpk= 0, iat= 619, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2=1023,1024,1025,
&end
#
# 52 VAL H 52 VAL QG1 3.17
&rst
ixpk= 0, nxpk= 0, iat= 815, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 821, 822, 823,
&end
#
# 52 VAL H 52 VAL QG2 3.15
&rst
ixpk= 0, nxpk= 0, iat= 815, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 825, 826, 827,
&end
#
# 51 ASN H 52 VAL H 3.44
&rst
ixpk= 0, nxpk= 0, iat= 801, 815, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 84 VAL H 85 LEU QD1 5.94
&rst
ixpk= 0, nxpk= 0, iat=1342, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr2=1367,1368,1369,
&end
#
# 37 ILE H 99 ARG H 5.69
&rst
ixpk= 0, nxpk= 0, iat= 586,1583, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end
#
# 36 PHE H 37 ILE H 5.14
&rst
ixpk= 0, nxpk= 0, iat= 566, 586, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 37 ILE H 38 GLY H 5.49
&rst
ixpk= 0, nxpk= 0, iat= 586, 605, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 37 ILE H 72 PHE H 5.85
&rst
ixpk= 0, nxpk= 0, iat= 586,1141, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, &end
#
# 63 ILE H 63 ILE QD1 4.06
&rst
ixpk= 0, nxpk= 0, iat= 991, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1004,1005,1006,
&end
#
# 29 LYS H 149 ILE H 6
&rst
ixpk= 0, nxpk= 0, iat= 439,2333, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 131 TRP H 131 TRP HE1 6
&rst
ixpk= 0, nxpk= 0, iat=2087,2097, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 38 GLY H 39 GLY H 4.9
&rst
ixpk= 0, nxpk= 0, iat= 605, 612, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 38 GLY H 40 VAL H 5.18
&rst
ixpk= 0, nxpk= 0, iat= 605, 619, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 45 LYS H 47 TRP H 5.82
&rst
ixpk= 0, nxpk= 0, iat= 699, 736, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end
#
# 52 VAL QG2 53 LEU H 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 825, 826, 827,
&end
#
# 52 VAL QG2 54 LYS H 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 850, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 825, 826, 827,
&end
#
# 50 ALA H 52 VAL H 5.1
&rst
ixpk= 0, nxpk= 0, iat= 791, 815, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 49 LEU QD2 50 ALA H 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 791, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 785, 786, 787,
&end
#
# 50 ALA H 53 LEU QD2 5.25
&rst
ixpk= 0, nxpk= 0, iat= 791, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 844, 845, 846,
&end
#
# 51 ASN H 53 LEU QD2 6
&rst
ixpk= 0, nxpk= 0, iat= 801, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 844, 845, 846,
&end
#
# 47 TRP H 47 TRP HE1 5.83
&rst
ixpk= 0, nxpk= 0, iat= 736, 746, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, &end
#
# 45 LYS H 64 LEU QD1 4.43
&rst
ixpk= 0, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1019,1020,1021,
&end
#
# 45 LYS H 64 LEU QD2 4.95
&rst
ixpk= 0, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=1023,1024,1025,
&end
#
# 42 LEU H 44 MET H 4.92
&rst
ixpk= 0, nxpk= 0, iat= 649, 682, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 38 GLY H 99 ARG H 5.51
&rst
ixpk= 0, nxpk= 0, iat= 605,1583, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 36 PHE H 73 VAL QG2 5.02
&rst
ixpk= 0, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=1171,1172,1173,
&end
#
# 102 VAL H 103 GLY H 4.98
&rst
ixpk= 0, nxpk= 0, iat=1638,1654, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 34 THR H 102 VAL H 5.93
&rst
ixpk= 0, nxpk= 0, iat= 533,1638, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, &end
#
# 53 LEU QD1 59 VAL H 6
&rst
ixpk= 0, nxpk= 0, iat= -1, 931, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 840, 841, 842,
&end
#
# 58 GLU H 75 VAL QG1 5.75
&rst
ixpk= 0, nxpk= 0, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr2=1205,1206,1207,
&end
#
# 58 GLU H 59 VAL H 5.12
&rst
ixpk= 0, nxpk= 0, iat= 916, 931, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 63 ILE QD1 73 VAL H 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1161, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1=1004,1005,1006,
&end
#
# 53 LEU QD2 73 VAL H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1161, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 844, 845, 846,
&end
#
# 73 VAL HB 74 LYS H 5.15
&rst
ixpk= 0, nxpk= 0, iat=1165,1177, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 35 LEU H 74 LYS H 5.75
&rst
ixpk= 0, nxpk= 0, iat= 547,1177, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 59 VAL QG2 74 LYS H 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1177, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 941, 942, 943,
&end
#
# 73 VAL QG2 75 VAL H 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1199, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=1171,1172,1173,
&end
#
# 77 SER H 79 HIE H 6
&rst
ixpk= 0, nxpk= 0, iat=1236,1271, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 83 ASN H 84 VAL H 3.33
&rst
ixpk= 0, nxpk= 0, iat=1328,1342, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 83 ASN H 86 GLN H 5.55
&rst
ixpk= 0, nxpk= 0, iat=1328,1377, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 82 GLU H 85 LEU H 5.87
&rst
ixpk= 0, nxpk= 0, iat=1313,1358, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end
#
# 83 ASN H 84 VAL HB 5.77
&rst
ixpk= 0, nxpk= 0, iat=1328,1346, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end
#
# 88 PHE H 90 LYS H 4.82
&rst
ixpk= 0, nxpk= 0, iat=1408,1442, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 91 ASP H 94 LEU H 6
&rst
ixpk= 0, nxpk= 0, iat=1464,1493, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 38 GLY H 98 THR H 5.46
&rst
ixpk= 0, nxpk= 0, iat= 605,1569, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 98 THR H 99 ARG H 5.04
&rst
ixpk= 0, nxpk= 0, iat=1569,1583, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 37 ILE QD1 98 THR H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1569, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 599, 600, 601,
&end
#
# 96 LEU QD2 98 THR H 5.81
&rst
ixpk= 0, nxpk= 0, iat= -1,1569, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1=1539,1540,1541,
&end
#
# 123 ARG H 125 THR H 5.68
&rst
ixpk= 0, nxpk= 0, iat=1952,1995, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 130 LYS H 134 SER H 6
&rst
ixpk= 0, nxpk= 0, iat=2065,2138, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 131 TRP H 134 SER H 5.23
&rst
ixpk= 0, nxpk= 0, iat=2087,2138, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 145 LEU HG 146 VAL H 5.08
&rst
ixpk= 0, nxpk= 0, iat=2284,2296, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 145 LEU H 146 VAL QG2 5.4
&rst
ixpk= 0, nxpk= 0, iat=2277, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2=2306,2307,2308,
&end
#
# 145 LEU H 147 THR H 6
&rst
ixpk= 0, nxpk= 0, iat=2277,2312, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 149 ILE H 151 PHE H 5.53
&rst
ixpk= 0, nxpk= 0, iat=2333,2368, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 146 VAL QG1 147 THR H 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1,2312, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1=2302,2303,2304,
&end
#
# 149 ILE H 150 VAL QG2 5.36
&rst
ixpk= 0, nxpk= 0, iat=2333, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2=2362,2363,2364,
&end
#
# 149 ILE H 150 VAL QG1 5.2
&rst
ixpk= 0, nxpk= 0, iat=2333, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2=2358,2359,2360,
&end
#
# 62 VAL HB 63 ILE H 5.03
&rst
ixpk= 0, nxpk= 0, iat= 979, 991, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 28 ILE H 28 ILE QG1 5.19
&rst
ixpk= 0, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr2= 430, 431,
&end
#
# 23 LEU HG 148 GLY H 6
&rst
ixpk= 0, nxpk= 0, iat= 351,2326, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 158 VAL H 159 GLY H 5.04
&rst
ixpk= 0, nxpk= 0, iat=2482,2498, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 35 LEU H 75 VAL H 4.99
&rst
ixpk= 0, nxpk= 0, iat= 547,1199, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 123 ARG H 126 ASP H 6
&rst
ixpk= 0, nxpk= 0, iat=1952,2009, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 111 ASP H 114 HIE H 5.11
&rst
ixpk= 0, nxpk= 0, iat=1760,1810, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 113 GLN H 116 TYR H 5.53
&rst
ixpk= 0, nxpk= 0, iat=1793,1834, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 62 VAL H 63 ILE QD1 3.98
&rst
ixpk= 0, nxpk= 0, iat= 975, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1004,1005,1006,
&end
#
# 59 VAL QG1 61 SER H 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 964, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 937, 938, 939,
&end
#
# 35 LEU QD2 85 LEU H 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1358, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 560, 561, 562,
&end
#
# 35 LEU QD1 99 ARG H 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1583, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 556, 557, 558,
&end
#
# 35 LEU QD2 99 ARG H 5.52
&rst
ixpk= 0, nxpk= 0, iat= -1,1583, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1= 560, 561, 562,
&end
#
# 99 ARG H 100 TRP H 4.99
&rst
ixpk= 0, nxpk= 0, iat=1583,1607, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 133 VAL HB 134 SER H 5.33
&rst
ixpk= 0, nxpk= 0, iat=2126,2138, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 18 SER H 20 ASP H 5.65
&rst
ixpk= 0, nxpk= 0, iat= 275, 307, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, &end
#
# 131 TRP HE1 157 ILE QG1 6
&rst
ixpk= 0, nxpk= 0, iat=2097, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2473,2474,
&end
#
# 46 GLU H 64 LEU QD1 3.91
&rst
ixpk= 0, nxpk= 0, iat= 721, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1019,1020,1021,
&end
#
# 20 ASP H 23 LEU QD2 5.47
&rst
ixpk= 0, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2= 357, 358, 359,
&end
#
# 20 ASP H 150 VAL QG2 4.98
&rst
ixpk= 0, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=2362,2363,2364,
&end
#
# 35 LEU H 35 LEU QD2 5
&rst
ixpk= 0, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 560, 561, 562,
&end
#
# 35 LEU H 35 LEU QD1 4.74
&rst
ixpk= 0, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 556, 557, 558,
&end
#
# 35 LEU QD2 73 VAL H 5.57
&rst
ixpk= 0, nxpk= 0, iat= -1,1161, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1= 560, 561, 562,
&end
#
# 102 VAL QG1 103 GLY H 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1654, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1644,1645,1646,
&end
#
# 62 VAL QG2 73 VAL H 5.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1161, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1= 985, 986, 987,
&end
#
# 62 VAL QG1 73 VAL H 5.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1161, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1= 981, 982, 983,
&end
#
# 17 VAL QG2 141 SER H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2228, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 269, 270, 271,
&end
#
# 133 VAL QG2 141 SER H 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1,2228, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1=2132,2133,2134,
&end
#
# 63 ILE QG1 64 LEU H 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1010, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1001,1002,
&end
#
# 64 LEU H 64 LEU QD1 4.63
&rst
ixpk= 0, nxpk= 0, iat=1010, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1019,1020,1021,
&end
#
# 63 ILE QD1 64 LEU H 5.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1010, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1=1004,1005,1006,
&end
#
# 37 ILE QD1 99 ARG H 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1583, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 599, 600, 601,
&end
#
# 146 VAL QG2 148 GLY H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2326, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2306,2307,2308,
&end
#
# 22 THR H 23 LEU QD2 5.62
&rst
ixpk= 0, nxpk= 0, iat= 330, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr2= 357, 358, 359,
&end
#
# 22 THR H 23 LEU QD1 5.62
&rst
ixpk= 0, nxpk= 0, iat= 330, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr2= 353, 354, 355,
&end
#
# 36 PHE H 37 ILE QD1 5.31
&rst
ixpk= 0, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2= 599, 600, 601,
&end
#
# 17 VAL QG1 18 SER H 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 265, 266, 267,
&end
#
# 18 SER H 150 VAL QG1 4.28
&rst
ixpk= 0, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=2358,2359,2360,
&end
#
# 40 VAL QG1 71 ALA H 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1,1131, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 625, 626, 627,
&end
#
# 53 LEU QD2 74 LYS H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1177, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 844, 845, 846,
&end
#
# 59 VAL QG1 60 GLN H 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 947, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 937, 938, 939,
&end
#
# 62 VAL QG2 63 ILE H 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 991, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 985, 986, 987,
&end
#
# 63 ILE H 73 VAL QG1 3.83
&rst
ixpk= 0, nxpk= 0, iat= 991, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1167,1168,1169,
&end
#
# 60 GLN H 75 VAL QG2 6
&rst
ixpk= 0, nxpk= 0, iat= 947, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1209,1210,1211,
&end
#
# 74 LYS H 75 VAL QG2 6
&rst
ixpk= 0, nxpk= 0, iat=1177, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1209,1210,1211,
&end
#
# 102 VAL QG2 105 GLY H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1681, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1648,1649,1650,
&end
#
# 30 VAL QG2 31 TYR H 4.9
&rst
ixpk= 0, nxpk= 0, iat= -1, 477, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 471, 472, 473,
&end
#
# 17 VAL QG2 140 THR H 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1,2214, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 269, 270, 271,
&end
#
# 133 VAL QG2 140 THR H 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1,2214, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1=2132,2133,2134,
&end
#
# 133 VAL QG1 140 THR H 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1,2214, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=2128,2129,2130,
&end
#
# 82 GLU H 84 VAL QG2 5.48
&rst
ixpk= 0, nxpk= 0, iat=1313, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2=1352,1353,1354,
&end
#
# 158 VAL QG1 159 GLY H 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1,2498, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1=2488,2489,2490,
&end
#
# 35 LEU QD2 75 VAL H 5.62
&rst
ixpk= 0, nxpk= 0, iat= -1,1199, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 560, 561, 562,
&end
#
# 75 VAL H 75 VAL QG1 3.77
&rst
ixpk= 0, nxpk= 0, iat=1199, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1205,1206,1207,
&end
#
# 85 LEU QD2 100 TRP H 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1607, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1371,1372,1373,
&end
#
# 85 LEU QD1 100 TRP H 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1607, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1=1367,1368,1369,
&end
#
# 59 VAL QG2 62 VAL H 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 941, 942, 943,
&end
#
# 62 VAL H 62 VAL QG1 4.49
&rst
ixpk= 0, nxpk= 0, iat= 975, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 981, 982, 983,
&end
#
# 62 VAL H 62 VAL QG2 3.75
&rst
ixpk= 0, nxpk= 0, iat= 975, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 985, 986, 987,
&end
#
# 62 VAL H 73 VAL QG1 5.49
&rst
ixpk= 0, nxpk= 0, iat= 975, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2=1167,1168,1169,
&end
#
# 96 LEU QD1 97 ARG H 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1545, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=1535,1536,1537,
&end
#
# 53 LEU QD1 88 PHE H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1408, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 840, 841, 842,
&end
#
# 157 ILE QG1 158 VAL H 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1,2482, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=2473,2474,
&end
#
# 158 VAL H 158 VAL QG1 4.14
&rst
ixpk= 0, nxpk= 0, iat=2482, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=2488,2489,2490,
&end
#
# 23 LEU QD2 150 VAL H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2352, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 357, 358, 359,
&end
#
# 145 LEU H 145 LEU QD2 4.19
&rst
ixpk= 0, nxpk= 0, iat=2277, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=2290,2291,2292,
&end
#
# 30 VAL H 124 LEU QD1 5.5
&rst
ixpk= 0, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1985,1986,1987,
&end
#
# 150 VAL H 150 VAL QG2 4.08
&rst
ixpk= 0, nxpk= 0, iat=2352, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2=2362,2363,2364,
&end
#
# 102 VAL H 102 VAL QG2 4.45
&rst
ixpk= 0, nxpk= 0, iat=1638, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1648,1649,1650,
&end
#
# 145 LEU H 146 VAL QG1 5.4
&rst
ixpk= 0, nxpk= 0, iat=2277, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2=2302,2303,2304,
&end
#
# 150 VAL H 150 VAL QG1 3.5
&rst
ixpk= 0, nxpk= 0, iat=2352, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2358,2359,2360,
&end
#
# 30 VAL H 30 VAL QG1 4.32
&rst
ixpk= 0, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 467, 468, 469,
&end
#
# 149 ILE QD1 150 VAL H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2352, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2346,2347,2348,
&end
#
# 30 VAL H 124 LEU QD2 6
&rst
ixpk= 0, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1989,1990,1991,
&end
#
# 149 ILE QG1 150 VAL H 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1,2352, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2343,2344,
&end
#
# 84 VAL QG2 86 GLN H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1377, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1352,1353,1354,
&end
#
# 124 LEU QD1 129 LYS H 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1,2043, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=1985,1986,1987,
&end
#
# 84 VAL QG1 86 GLN H 5.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1377, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr1=1348,1349,1350,
&end
#
# 40 VAL QG2 43 ASN H 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 629, 630, 631,
&end
#
# 30 VAL QG1 151 PHE H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2368, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 467, 468, 469,
&end
#
# 129 LYS H 149 ILE QD1 6
&rst
ixpk= 0, nxpk= 0, iat=2043, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2346,2347,2348,
&end
#
# 149 ILE QD1 151 PHE H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2368, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2346,2347,2348,
&end
#
# 142 GLY H 145 LEU QD2 5.75
&rst
ixpk= 0, nxpk= 0, iat=2239, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr2=2290,2291,2292,
&end
#
# 124 LEU QD1 149 ILE H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2333, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1985,1986,1987,
&end
#
# 133 VAL QG1 142 GLY H 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1,2239, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=2128,2129,2130,
&end
#
# 52 VAL H 96 LEU QD1 5.91
&rst
ixpk= 0, nxpk= 0, iat= 815, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr2=1535,1536,1537,
&end
#
# 52 VAL H 53 LEU QD1 5.23
&rst
ixpk= 0, nxpk= 0, iat= 815, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2= 840, 841, 842,
&end
#
# 47 TRP H 64 LEU QD1 5.24
&rst
ixpk= 0, nxpk= 0, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=1019,1020,1021,
&end
#
# 35 LEU QD2 84 VAL H 5.55
&rst
ixpk= 0, nxpk= 0, iat= -1,1342, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 560, 561, 562,
&end
#
# 35 LEU QD1 84 VAL H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1342, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 556, 557, 558,
&end
#
# 59 VAL H 59 VAL QG2 4.48
&rst
ixpk= 0, nxpk= 0, iat= 931, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 941, 942, 943,
&end
#
# 51 ASN H 62 VAL QG2 5.93
&rst
ixpk= 0, nxpk= 0, iat= 801, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr2= 985, 986, 987,
&end
#
# 84 VAL H 84 VAL QG1 4.37
&rst
ixpk= 0, nxpk= 0, iat=1342, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1348,1349,1350,
&end
#
# 49 LEU HG 50 ALA H 5.71
&rst
ixpk= 0, nxpk= 0, iat= 779, 791, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end
#
# 130 LYS H 145 LEU QD2 6
&rst
ixpk= 0, nxpk= 0, iat=2065, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2290,2291,2292,
&end
#
# 50 ALA H 64 LEU QD1 5.91
&rst
ixpk= 0, nxpk= 0, iat= 791, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr2=1019,1020,1021,
&end
#
# 49 LEU QD1 50 ALA H 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 791, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 781, 782, 783,
&end
#
# 50 ALA H 52 VAL QG2 4.97
&rst
ixpk= 0, nxpk= 0, iat= 791, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 825, 826, 827,
&end
#
# 130 LYS H 133 VAL QG2 6
&rst
ixpk= 0, nxpk= 0, iat=2065, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2132,2133,2134,
&end
#
# 64 LEU QD2 69 LYS H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1023,1024,1025,
&end
#
# 35 LEU QD1 85 LEU H 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1358, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 556, 557, 558,
&end
#
# 53 LEU QD1 85 LEU H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1358, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 840, 841, 842,
&end
#
# 49 LEU H 96 LEU QD1 5.63
&rst
ixpk= 0, nxpk= 0, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr2=1535,1536,1537,
&end
#
# 49 LEU H 49 LEU QD1 4.67
&rst
ixpk= 0, nxpk= 0, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 781, 782, 783,
&end
#
# 49 LEU H 62 VAL QG1 4.91
&rst
ixpk= 0, nxpk= 0, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2= 981, 982, 983,
&end
#
# 49 LEU H 52 VAL QG1 5.54
&rst
ixpk= 0, nxpk= 0, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr2= 821, 822, 823,
&end
#
# 49 LEU H 52 VAL QG2 4.9
&rst
ixpk= 0, nxpk= 0, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 825, 826, 827,
&end
#
# 64 LEU QD2 70 HIE H 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1,1114, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=1023,1024,1025,
&end
#
# 133 VAL QG1 143 GLN H 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1,2246, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=2128,2129,2130,
&end
#
# 102 VAL QG2 104 PHE H 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1661, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1648,1649,1650,
&end
#
# 75 VAL QG1 77 SER H 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1236, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1=1205,1206,1207,
&end
#
# 75 VAL QG2 77 SER H 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1236, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=1209,1210,1211,
&end
#
# 124 LEU H 124 LEU QD2 4.73
&rst
ixpk= 0, nxpk= 0, iat=1976, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1989,1990,1991,
&end
#
# 75 VAL QG1 76 TYR H 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1,1215, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1205,1206,1207,
&end
#
# 75 VAL QG2 76 TYR H 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1215, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=1209,1210,1211,
&end
#
# 53 LEU H 96 LEU QD1 6
&rst
ixpk= 0, nxpk= 0, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1535,1536,1537,
&end
#
# 52 VAL QG1 53 LEU H 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 821, 822, 823,
&end
#
# 23 LEU H 23 LEU QD2 4.66
&rst
ixpk= 0, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 357, 358, 359,
&end
#
# 133 VAL H 145 LEU QD2 5.89
&rst
ixpk= 0, nxpk= 0, iat=2122, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr2=2290,2291,2292,
&end
#
# 133 VAL H 145 LEU QD1 5.89
&rst
ixpk= 0, nxpk= 0, iat=2122, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr2=2286,2287,2288,
&end
#
# 133 VAL H 133 VAL QG2 3.72
&rst
ixpk= 0, nxpk= 0, iat=2122, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=2132,2133,2134,
&end
#
# 133 VAL H 133 VAL QG1 4.5
&rst
ixpk= 0, nxpk= 0, iat=2122, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2128,2129,2130,
&end
#
# 145 LEU QD2 146 VAL H 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1,2296, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1=2290,2291,2292,
&end
#
# 96 LEU H 96 LEU QD2 4.96
&rst
ixpk= 0, nxpk= 0, iat=1526, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=1539,1540,1541,
&end
#
# 35 LEU QD2 84 VAL HB 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1346, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 560, 561, 562,
&end
#
# 17 VAL QG1 150 VAL HB 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1,2356, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 265, 266, 267,
&end
#
# 35 LEU QD2 59 VAL HB 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 560, 561, 562,
&end
#
# 35 LEU QD2 73 VAL HB 5.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1165, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1= 560, 561, 562,
&end
#
# 37 ILE QD1 73 VAL HB 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1165, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 599, 600, 601,
&end
#
# 59 VAL QG2 73 VAL HB 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1,1165, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 941, 942, 943,
&end
#
# 133 VAL QG2 145 LEU HG 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1,2284, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=2132,2133,2134,
&end
#
# 133 VAL QG1 145 LEU HG 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1,2284, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=2128,2129,2130,
&end
#
# 49 LEU HG 62 VAL QG2 5.36
&rst
ixpk= 0, nxpk= 0, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2= 985, 986, 987,
&end
#
# 62 VAL QG1 64 LEU HG 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 981, 982, 983,
&end
#
# 145 LEU QD2 149 ILE QG1 5.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
igr1=2290,2291,2292,
igr2=2343,2344,
&end
#
# 145 LEU QD1 149 ILE QG1 5.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
igr1=2286,2287,2288,
igr2=2343,2344,
&end
#
# 17 VAL QG2 149 ILE QG1 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 269, 270, 271,
igr2=2343,2344,
&end
#
# 30 VAL QG2 149 ILE QG1 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 471, 472, 473,
igr2=2343,2344,
&end
#
# 62 VAL QG1 63 ILE QG1 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 981, 982, 983,
igr2=1001,1002,
&end
#
# 62 VAL QG2 63 ILE QG1 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 985, 986, 987,
igr2=1001,1002,
&end
#
# 42 LEU QD2 52 VAL QG1 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr1= 662, 663, 664,
igr2= 821, 822, 823,
&end
#
# 37 ILE QG1 64 LEU QD2 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 596, 597,
igr2=1023,1024,1025,
&end
#
# 35 LEU QD1 75 VAL QG2 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 556, 557, 558,
igr2=1209,1210,1211,
&end
#
# 64 LEU QD1 96 LEU QD1 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1019,1020,1021,
igr2=1535,1536,1537,
&end
#
# 35 LEU QD2 84 VAL QG2 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 560, 561, 562,
igr2=1352,1353,1354,
&end
#
# 145 LEU QD1 149 ILE QD1 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=2286,2287,2288,
igr2=2346,2347,2348,
&end
#
# 35 LEU QD1 84 VAL QG2 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
igr1= 556, 557, 558,
igr2=1352,1353,1354,
&end
#
# 53 LEU QD1 84 VAL QG2 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 840, 841, 842,
igr2=1352,1353,1354,
&end
#
# 30 VAL QG2 124 LEU QD2 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 471, 472, 473,
igr2=1989,1990,1991,
&end
#
# 30 VAL QG1 124 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= 467, 468, 469,
igr2=1989,1990,1991,
&end
#
# 37 ILE QD1 96 LEU QD1 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 599, 600, 601,
igr2=1535,1536,1537,
&end
#
# 156 ILE QD1 158 VAL QG2 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=2457,2458,2459,
igr2=2492,2493,2494,
&end
#
# 37 ILE QG1 62 VAL QG2 5.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.48, r4= 7.98,
igr1= 596, 597,
igr2= 985, 986, 987,
&end
#
# 59 VAL QG2 62 VAL QG2 3.4
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 941, 942, 943,
igr2= 985, 986, 987,
&end
#
# 28 ILE QD1 30 VAL QG2 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 433, 434, 435,
igr2= 471, 472, 473,
&end
#
# 37 ILE QG1 62 VAL QG1 5.4
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 596, 597,
igr2= 981, 982, 983,
&end
#
# 37 ILE QG1 96 LEU QD2 5.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.62, r4= 8.12,
igr1= 596, 597,
igr2=1539,1540,1541,
&end
#
# 49 LEU QD2 64 LEU QD1 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 785, 786, 787,
igr2=1019,1020,1021,
&end
#
# 49 LEU QD1 96 LEU QD2 3.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 781, 782, 783,
igr2=1539,1540,1541,
&end
#
# 53 LEU QD2 59 VAL QG1 3.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 844, 845, 846,
igr2= 937, 938, 939,
&end
#
# 53 LEU QD1 59 VAL QG1 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 840, 841, 842,
igr2= 937, 938, 939,
&end
#
# 52 VAL QG2 59 VAL QG1 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
igr1= 825, 826, 827,
igr2= 937, 938, 939,
&end
#
# 52 VAL QG2 73 VAL QG1 5.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.45, r4= 8.95,
igr1= 825, 826, 827,
igr2=1167,1168,1169,
&end
#
# 40 VAL QG1 64 LEU QD2 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 625, 626, 627,
igr2=1023,1024,1025,
&end
#
# 28 ILE QG1 149 ILE QD1 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 430, 431,
igr2=2346,2347,2348,
&end
#
# 37 ILE QD1 49 LEU HG 5.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 779, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 599, 600, 601,
&end
#
# 40 VAL QG1 49 LEU HG 6
&rst
ixpk= 0, nxpk= 0, iat= -1, 779, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 625, 626, 627,
&end
#
# 53 LEU QD2 84 VAL QG1 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 844, 845, 846,
igr2=1348,1349,1350,
&end
#
# 53 LEU QD1 84 VAL QG1 3.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 840, 841, 842,
igr2=1348,1349,1350,
&end
#
# 52 VAL QG2 84 VAL QG1 5.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 825, 826, 827,
igr2=1348,1349,1350,
&end
#
# 30 VAL QG2 149 ILE QD1 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 471, 472, 473,
igr2=2346,2347,2348,
&end
#
# 30 VAL QG2 150 VAL QG2 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 471, 472, 473,
igr2=2362,2363,2364,
&end
#
# 35 LEU QD2 85 LEU QD2 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 560, 561, 562,
igr2=1371,1372,1373,
&end
#
# 53 LEU QD1 75 VAL QG1 5.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.21, r4= 8.71,
igr1= 840, 841, 842,
igr2=1205,1206,1207,
&end
#
# 37 ILE QD1 53 LEU QD1 4.4
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 599, 600, 601,
igr2= 840, 841, 842,
&end
#
# 40 VAL QG1 49 LEU QD2 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 625, 626, 627,
igr2= 785, 786, 787,
&end
#
# 35 LEU QD2 84 VAL QG1 3.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 560, 561, 562,
igr2=1348,1349,1350,
&end
#
# 73 VAL QG2 84 VAL QG2 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
igr1=1171,1172,1173,
igr2=1352,1353,1354,
&end
#
# 42 LEU QD2 49 LEU QD1 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 662, 663, 664,
igr2= 781, 782, 783,
&end
#
# 142 GLY H 145 LEU QD1 5.75
&rst
ixpk= 0, nxpk= 0, iat=2239, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr2=2286,2287,2288,
&end
#
# 73 VAL QG2 75 VAL QG2 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1=1171,1172,1173,
igr2=1209,1210,1211,
&end
#
# 53 LEU QD2 59 VAL QG2 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 844, 845, 846,
igr2= 941, 942, 943,
&end
#
# 53 LEU QD1 96 LEU QD1 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 840, 841, 842,
igr2=1535,1536,1537,
&end
#
# 35 LEU QD2 53 LEU QD1 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 560, 561, 562,
igr2= 840, 841, 842,
&end
#
# 42 LEU QD2 64 LEU QD1 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr1= 662, 663, 664,
igr2=1019,1020,1021,
&end
#
# 37 ILE QD1 49 LEU QD1 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 599, 600, 601,
igr2= 781, 782, 783,
&end
#
# 156 ILE QD1 158 VAL QG1 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=2457,2458,2459,
igr2=2488,2489,2490,
&end
#
# 36 PHE H 85 LEU QD2 6
&rst
ixpk= 0, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1371,1372,1373,
&end
#
# 85 LEU QD2 99 ARG H 5.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1583, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1=1371,1372,1373,
&end
#
# 46 GLU H 49 LEU QD2 5.6
&rst
ixpk= 0, nxpk= 0, iat= 721, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 785, 786, 787,
&end
#
# 45 LYS H 49 LEU QD2 5.25
&rst
ixpk= 0, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 785, 786, 787,
&end
#
# 35 LEU QD2 85 LEU QD1 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 560, 561, 562,
igr2=1367,1368,1369,
&end
#
# 42 LEU H 42 LEU QD1 4.58
&rst
ixpk= 0, nxpk= 0, iat= 649, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 658, 659, 660,
&end
#
# 42 LEU H 42 LEU QD2 4.5
&rst
ixpk= 0, nxpk= 0, iat= 649, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 662, 663, 664,
&end
#
# 158 VAL QG2 159 GLY H 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1,2498, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1=2492,2493,2494,
&end
#
# 40 VAL QG2 45 LYS H 5.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1= 629, 630, 631,
&end
#
# 148 GLY H 150 VAL QG1 6
&rst
ixpk= 0, nxpk= 0, iat=2326, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2358,2359,2360,
&end
#
# 38 GLY H 40 VAL QG1 4.97
&rst
ixpk= 0, nxpk= 0, iat= 605, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 625, 626, 627,
&end
#
# 40 VAL QG1 97 ARG H 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1,1545, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 625, 626, 627,
&end
#
# 40 VAL QG1 96 LEU QD1 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 625, 626, 627,
igr2=1535,1536,1537,
&end
#
# 40 VAL QG2 70 HIE H 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1114, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1= 629, 630, 631,
&end
#
# 50 ALA H 52 VAL QG1 6
&rst
ixpk= 0, nxpk= 0, iat= 791, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 821, 822, 823,
&end
#
# 51 ASN H 52 VAL QG1 5.19
&rst
ixpk= 0, nxpk= 0, iat= 801, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2= 821, 822, 823,
&end
#
# 51 ASN H 52 VAL QG2 4.28
&rst
ixpk= 0, nxpk= 0, iat= 801, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 825, 826, 827,
&end
#
# 59 VAL QG1 62 VAL QG2 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 937, 938, 939,
igr2= 985, 986, 987,
&end
#
# 37 ILE QD1 59 VAL QG1 5.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.90, r4= 8.40,
igr1= 599, 600, 601,
igr2= 937, 938, 939,
&end
#
# 59 VAL QG1 84 VAL QG1 5.7
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.22, r4= 8.72,
igr1= 937, 938, 939,
igr2=1348,1349,1350,
&end
#
# 50 ALA H 62 VAL QG1 5.11
&rst
ixpk= 0, nxpk= 0, iat= 791, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2= 981, 982, 983,
&end
#
# 51 ASN H 62 VAL QG1 6
&rst
ixpk= 0, nxpk= 0, iat= 801, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 981, 982, 983,
&end
#
# 35 LEU QD1 73 VAL QG2 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87,
igr1= 556, 557, 558,
igr2=1171,1172,1173,
&end
#
# 35 LEU QD2 73 VAL QG2 3.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 560, 561, 562,
igr2=1171,1172,1173,
&end
#
# 59 VAL QG2 73 VAL QG2 3.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 941, 942, 943,
igr2=1171,1172,1173,
&end
#
# 60 GLN H 75 VAL QG1 4.62
&rst
ixpk= 0, nxpk= 0, iat= 947, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2=1205,1206,1207,
&end
#
# 61 SER H 75 VAL QG1 5.52
&rst
ixpk= 0, nxpk= 0, iat= 964, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr2=1205,1206,1207,
&end
#
# 35 LEU H 75 VAL QG1 6
&rst
ixpk= 0, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1205,1206,1207,
&end
#
# 35 LEU QD2 75 VAL QG1 3.6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 560, 561, 562,
igr2=1205,1206,1207,
&end
#
# 75 VAL QG1 84 VAL QG2 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=1205,1206,1207,
igr2=1352,1353,1354,
&end
#
# 84 VAL QG1 85 LEU QD2 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1348,1349,1350,
igr2=1371,1372,1373,
&end
#
# 84 VAL QG2 85 LEU QD2 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1=1352,1353,1354,
igr2=1371,1372,1373,
&end
#
# 35 LEU QD1 84 VAL QG1 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 556, 557, 558,
igr2=1348,1349,1350,
&end
#
# 133 VAL QG1 145 LEU QD1 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1=2128,2129,2130,
igr2=2286,2287,2288,
&end
#
# 133 VAL QG1 141 SER H 5.57
&rst
ixpk= 0, nxpk= 0, iat= -1,2228, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1=2128,2129,2130,
&end
#
# 146 VAL QG1 148 GLY H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2326, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2302,2303,2304,
&end
#
# 37 ILE QG1 99 ARG H 5.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1583, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1= 596, 597,
&end
#
# 37 ILE QG1 73 VAL H 5.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1161, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1= 596, 597,
&end
#
# 37 ILE QG1 63 ILE H 6
&rst
ixpk= 0, nxpk= 0, iat= -1, 991, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 596, 597,
&end
#
# 37 ILE QG1 71 ALA H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1131, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 596, 597,
&end
#
# 37 ILE QG1 72 PHE H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 596, 597,
&end
#
# 37 ILE QG1 53 LEU QD2 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 596, 597,
igr2= 844, 845, 846,
&end
#
# 35 LEU QD2 37 ILE QG1 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr1= 560, 561, 562,
igr2= 596, 597,
&end
#
# 37 ILE QG1 49 LEU QD2 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
igr1= 596, 597,
igr2= 785, 786, 787,
&end
#
# 37 ILE QD1 96 LEU QD2 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 599, 600, 601,
igr2=1539,1540,1541,
&end
#
# 37 ILE QG1 96 LEU QD1 4.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 596, 597,
igr2=1535,1536,1537,
&end
#
# 37 ILE QG1 53 LEU QD1 5.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53,
igr1= 596, 597,
igr2= 840, 841, 842,
&end
#
# 62 VAL H 63 ILE QG1 5.88
&rst
ixpk= 0, nxpk= 0, iat= 975, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr2=1001,1002,
&end
#
# 147 THR H 149 ILE QD1 6
&rst
ixpk= 0, nxpk= 0, iat=2312, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2346,2347,2348,
&end
#
# 40 VAL H 96 LEU QD1 5.73
&rst
ixpk= 0, nxpk= 0, iat= 619, -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr2=1535,1536,1537,
&end
#
# 53 LEU QD1 96 LEU QD2 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 840, 841, 842,
igr2=1539,1540,1541,
&end
#
# 52 VAL QG1 96 LEU QD1 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 821, 822, 823,
igr2=1535,1536,1537,
&end
#
# 52 VAL H 53 LEU QD2 5.78
&rst
ixpk= 0, nxpk= 0, iat= 815, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr2= 844, 845, 846,
&end
#
# 49 LEU H 53 LEU QD2 6
&rst
ixpk= 0, nxpk= 0, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 844, 845, 846,
&end
#
# 53 LEU QD2 61 SER H 6
&rst
ixpk= 0, nxpk= 0, iat= -1, 964, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 844, 845, 846,
&end
#
# 40 VAL H 49 LEU QD2 6
&rst
ixpk= 0, nxpk= 0, iat= 619, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 785, 786, 787,
&end
#
# 49 LEU QD1 52 VAL H 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 815, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 781, 782, 783,
&end
#
# 49 LEU QD1 51 ASN H 6
&rst
ixpk= 0, nxpk= 0, iat= -1, 801, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 781, 782, 783,
&end
#
# 42 LEU QD2 43 ASN H 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 662, 663, 664,
&end
#
# 42 LEU QD2 44 MET H 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 682, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 662, 663, 664,
&end
#
# 42 LEU QD1 43 ASN H 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 658, 659, 660,
&end
#
# 42 LEU QD1 44 MET H 5.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 682, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 658, 659, 660,
&end
#
# 59 VAL H 75 VAL QG1 4.5
&rst
ixpk= 0, nxpk= 0, iat= 931, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1205,1206,1207,
&end
#
# 28 ILE QD1 124 LEU QD1 4
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 433, 434, 435,
igr2=1985,1986,1987,
&end
#
# 124 LEU QD1 149 ILE QD1 3.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1985,1986,1987,
igr2=2346,2347,2348,
&end
#
# 28 ILE QD1 124 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= 433, 434, 435,
igr2=1989,1990,1991,
&end
#
# 156 ILE QD1 158 VAL H 5.74
&rst
ixpk= 0, nxpk= 0, iat= -1,2482, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1=2457,2458,2459,
&end
#
# 59 VAL QG1 62 VAL H 6
&rst
ixpk= 0, nxpk= 0, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 937, 938, 939,
&end
#
# 35 LEU HG 75 VAL QG1 6
&rst
ixpk= 0, nxpk= 0, iat= 554, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1205,1206,1207,
&end
#
# 35 LEU HG 75 VAL QG2 6
&rst
ixpk= 0, nxpk= 0, iat= 554, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1209,1210,1211,
&end
#
# 53 LEU QD2 96 LEU QD2 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 844, 845, 846,
igr2=1539,1540,1541,
&end
#
# 64 LEU H 64 LEU HG 5.51
&rst
ixpk= 0, nxpk= 0, iat=1010,1017, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 124 LEU QD2 151 PHE H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2368, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1989,1990,1991,
&end
#
# 121 MET H 124 LEU QD2 6
&rst
ixpk= 0, nxpk= 0, iat=1918, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1989,1990,1991,
&end
#
# 122 HIE H 124 LEU QD2 6
&rst
ixpk= 0, nxpk= 0, iat=1935, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1989,1990,1991,
&end
#
# 124 LEU QD2 149 ILE H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2333, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1989,1990,1991,
&end
#
# 20 ASP H 23 LEU QD1 5.47
&rst
ixpk= 0, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2= 353, 354, 355,
&end
#
# 23 LEU QD1 150 VAL H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2352, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 353, 354, 355,
&end
#
# 23 LEU QD1 150 VAL QG1 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 353, 354, 355,
igr2=2358,2359,2360,
&end
#
# 23 LEU QD2 150 VAL QG1 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 357, 358, 359,
igr2=2358,2359,2360,
&end
#
# 23 LEU HG 150 VAL QG1 4.97
&rst
ixpk= 0, nxpk= 0, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=2358,2359,2360,
&end
#
# 22 THR H 23 LEU HG 6
&rst
ixpk= 0, nxpk= 0, iat= 330, 351, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 48 ASP H 49 LEU QD2 5.32
&rst
ixpk= 0, nxpk= 0, iat= 760, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2= 785, 786, 787,
&end
#
# 85 LEU HG 100 TRP H 5.17
&rst
ixpk= 0, nxpk= 0, iat=1365,1607, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 35 LEU QD1 84 VAL HB 5.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1346, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1= 556, 557, 558,
&end
#
# 35 LEU HG 85 LEU QD1 5.69
&rst
ixpk= 0, nxpk= 0, iat= 554, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr2=1367,1368,1369,
&end
#
# 35 LEU HG 85 LEU QD2 5.94
&rst
ixpk= 0, nxpk= 0, iat= 554, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr2=1371,1372,1373,
&end
#
# 75 VAL QG2 79 HIE H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1271, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1209,1210,1211,
&end
#
# 75 VAL QG2 78 ARG H 5.6
&rst
ixpk= 0, nxpk= 0, iat= -1,1247, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1209,1210,1211,
&end
#
# 47 TRP H 49 LEU QD2 6
&rst
ixpk= 0, nxpk= 0, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 785, 786, 787,
&end
#
# 48 ASP H 49 LEU QD1 6
&rst
ixpk= 0, nxpk= 0, iat= 760, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 781, 782, 783,
&end
#
# 49 LEU QD1 53 LEU H 5.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 781, 782, 783,
&end
#
# 49 LEU QD1 97 ARG H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1545, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 781, 782, 783,
&end
#
# 40 VAL QG1 49 LEU QD1 3.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 625, 626, 627,
igr2= 781, 782, 783,
&end
#
# 49 LEU H 49 LEU QD2 4.48
&rst
ixpk= 0, nxpk= 0, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 785, 786, 787,
&end
#
# 49 LEU HG 53 LEU QD2 5.58
&rst
ixpk= 0, nxpk= 0, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr2= 844, 845, 846,
&end
#
# 140 THR H 145 LEU QD1 6
&rst
ixpk= 0, nxpk= 0, iat=2214, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2286,2287,2288,
&end
#
# 140 THR H 145 LEU QD2 6
&rst
ixpk= 0, nxpk= 0, iat=2214, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2290,2291,2292,
&end
#
# 143 GLN H 145 LEU QD1 6
&rst
ixpk= 0, nxpk= 0, iat=2246, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2286,2287,2288,
&end
#
# 143 GLN H 145 LEU QD2 6
&rst
ixpk= 0, nxpk= 0, iat=2246, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2290,2291,2292,
&end
#
# 133 VAL QG2 145 LEU QD2 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1=2132,2133,2134,
igr2=2290,2291,2292,
&end
#
# 124 LEU QD1 145 LEU QD1 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1985,1986,1987,
igr2=2286,2287,2288,
&end
#
# 17 VAL QG1 151 PHE H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2368, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 265, 266, 267,
&end
#
# 17 VAL QG1 149 ILE H 5.53
&rst
ixpk= 0, nxpk= 0, iat= -1,2333, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr1= 265, 266, 267,
&end
#
# 17 VAL QG2 142 GLY H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2239, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 269, 270, 271,
&end
#
# 17 VAL QG2 143 GLN H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2246, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 269, 270, 271,
&end
#
# 29 LYS H 149 ILE QG1 5.49
&rst
ixpk= 0, nxpk= 0, iat= 439, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2=2343,2344,
&end
#
# 149 ILE QG1 151 PHE H 5.85
&rst
ixpk= 0, nxpk= 0, iat= -1,2368, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr1=2343,2344,
&end
#
# 62 VAL QG1 64 LEU H 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1010, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 981, 982, 983,
&end
#
# 53 LEU QD2 84 VAL QG2 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 844, 845, 846,
igr2=1352,1353,1354,
&end
#
# 53 LEU QD2 62 VAL QG2 4.4
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 844, 845, 846,
igr2= 985, 986, 987,
&end
#
# 53 LEU QD2 73 VAL QG1 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 844, 845, 846,
igr2=1167,1168,1169,
&end
#
# 53 LEU QD2 73 VAL QG2 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 844, 845, 846,
igr2=1171,1172,1173,
&end
#
# 35 LEU QD2 53 LEU QD2 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 560, 561, 562,
igr2= 844, 845, 846,
&end
#
# 37 ILE QD1 53 LEU QD2 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 599, 600, 601,
igr2= 844, 845, 846,
&end
#
# 37 ILE QD1 52 VAL QG2 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 599, 600, 601,
igr2= 825, 826, 827,
&end
#
# 37 ILE QD1 73 VAL QG1 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 599, 600, 601,
igr2=1167,1168,1169,
&end
#
# 37 ILE QD1 73 VAL QG2 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 599, 600, 601,
igr2=1171,1172,1173,
&end
#
# 37 ILE QD1 59 VAL QG2 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 599, 600, 601,
igr2= 941, 942, 943,
&end
#
# 37 ILE QD1 84 VAL QG1 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 599, 600, 601,
igr2=1348,1349,1350,
&end
#
# 37 ILE QD1 40 VAL QG1 5.1
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86,
igr1= 599, 600, 601,
igr2= 625, 626, 627,
&end
#
# 145 LEU QD2 149 ILE QD1 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=2290,2291,2292,
igr2=2346,2347,2348,
&end
#
# 124 LEU QD2 149 ILE QD1 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1=1989,1990,1991,
igr2=2346,2347,2348,
&end
#
# 28 ILE QD1 149 ILE QD1 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 433, 434, 435,
igr2=2346,2347,2348,
&end
#
# 52 VAL QG2 53 LEU QD1 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 825, 826, 827,
igr2= 840, 841, 842,
&end
#
# 37 ILE QG1 73 VAL QG1 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 596, 597,
igr2=1167,1168,1169,
&end
#
# 37 ILE QG1 49 LEU QD1 4.9
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 596, 597,
igr2= 781, 782, 783,
&end
#
# 156 ILE QG1 158 VAL QG1 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1=2454,2455,
igr2=2488,2489,2490,
&end
#
# 42 LEU QD2 96 LEU QD1 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 662, 663, 664,
igr2=1535,1536,1537,
&end
#
# 156 ILE QG1 158 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=2454,2455,
igr2=2492,2493,2494,
&end
#
# 73 VAL QG1 96 LEU QD1 5.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1167,1168,1169,
igr2=1535,1536,1537,
&end
#
# 49 LEU QD1 96 LEU QD1 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 781, 782, 783,
igr2=1535,1536,1537,
&end
#
# 53 LEU QD2 96 LEU QD1 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
igr1= 844, 845, 846,
igr2=1535,1536,1537,
&end
#
# 133 VAL QG1 145 LEU QD2 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1=2128,2129,2130,
igr2=2290,2291,2292,
&end
#
# 124 LEU QD1 145 LEU QD2 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1985,1986,1987,
igr2=2290,2291,2292,
&end
#
# 124 LEU QD2 149 ILE QG1 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=1989,1990,1991,
igr2=2343,2344,
&end
#
# 28 ILE QD1 149 ILE QG1 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 433, 434, 435,
igr2=2343,2344,
&end
#
# 49 LEU QD2 62 VAL QG1 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 785, 786, 787,
igr2= 981, 982, 983,
&end
#
# 35 LEU QD2 59 VAL QG1 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1= 560, 561, 562,
igr2= 937, 938, 939,
&end
#
# 49 LEU QD2 64 LEU QD2 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 785, 786, 787,
igr2=1023,1024,1025,
&end
#
# 35 LEU QD2 37 ILE QD1 3.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 560, 561, 562,
igr2= 599, 600, 601,
&end
#
# 42 LEU QD2 64 LEU QD2 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.77, r4= 8.27,
igr1= 662, 663, 664,
igr2=1023,1024,1025,
&end
#
# 49 LEU QD1 52 VAL QG1 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 781, 782, 783,
igr2= 821, 822, 823,
&end
#
# 49 LEU QD1 64 LEU QD1 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 781, 782, 783,
igr2=1019,1020,1021,
&end
#
# 49 LEU QD1 73 VAL QG1 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 781, 782, 783,
igr2=1167,1168,1169,
&end
#
# 49 LEU QD1 53 LEU QD2 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 781, 782, 783,
igr2= 844, 845, 846,
&end
#
# 49 LEU QD1 53 LEU QD1 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 781, 782, 783,
igr2= 840, 841, 842,
&end
#
# 133 VAL QG2 145 LEU QD1 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1=2132,2133,2134,
igr2=2286,2287,2288,
&end
#
# 59 VAL QG1 84 VAL QG2 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr1= 937, 938, 939,
igr2=1352,1353,1354,
&end
#
# 37 ILE QD1 84 VAL QG2 5.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66,
igr1= 599, 600, 601,
igr2=1352,1353,1354,
&end
#
# 84 VAL QG2 85 LEU QD1 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.67, r4= 8.17,
igr1=1352,1353,1354,
igr2=1367,1368,1369,
&end
#
# 40 VAL QG2 64 LEU QD2 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 629, 630, 631,
igr2=1023,1024,1025,
&end
#
# 42 LEU QD2 96 LEU QD2 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 662, 663, 664,
igr2=1539,1540,1541,
&end
#
# 35 LEU QD1 37 ILE QD1 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1= 556, 557, 558,
igr2= 599, 600, 601,
&end
#
# 35 LEU QD1 85 LEU QD2 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 556, 557, 558,
igr2=1371,1372,1373,
&end
#
# 35 LEU QD1 85 LEU QD1 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 556, 557, 558,
igr2=1367,1368,1369,
&end
#
# 23 LEU QD1 150 VAL QG2 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr1= 353, 354, 355,
igr2=2362,2363,2364,
&end
#
# 124 LEU QD1 149 ILE QG1 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1=1985,1986,1987,
igr2=2343,2344,
&end
#
# 30 VAL QG2 124 LEU QD1 4.4
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 471, 472, 473,
igr2=1985,1986,1987,
&end
#
# 17 VAL QG2 149 ILE QD1 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 269, 270, 271,
igr2=2346,2347,2348,
&end
#
# 73 VAL QG2 84 VAL QG1 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1=1171,1172,1173,
igr2=1348,1349,1350,
&end
#
# 84 VAL QG1 85 LEU QD1 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=1348,1349,1350,
igr2=1367,1368,1369,
&end
#
# 23 LEU QD2 150 VAL QG2 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr1= 357, 358, 359,
igr2=2362,2363,2364,
&end
#
# 62 VAL QG1 64 LEU QD1 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 981, 982, 983,
igr2=1019,1020,1021,
&end
#
# 59 VAL QG1 62 VAL QG1 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
igr1= 937, 938, 939,
igr2= 981, 982, 983,
&end
#
# 62 VAL QG1 73 VAL QG1 3.1
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 981, 982, 983,
igr2=1167,1168,1169,
&end
#
# 37 ILE QD1 62 VAL QG1 5.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53,
igr1= 599, 600, 601,
igr2= 981, 982, 983,
&end
#
# 37 ILE QD1 62 VAL QG2 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.66, r4= 8.16,
igr1= 599, 600, 601,
igr2= 985, 986, 987,
&end
#
# 49 LEU HG 73 VAL QG1 4.94
&rst
ixpk= 0, nxpk= 0, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1167,1168,1169,
&end
#
# 62 VAL QG2 73 VAL QG1 3.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 985, 986, 987,
igr2=1167,1168,1169,
&end
#
# 64 LEU QD1 73 VAL QG1 5.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.13, r4= 8.63,
igr1=1019,1020,1021,
igr2=1167,1168,1169,
&end
#
# 64 LEU QD2 73 VAL QG1 5.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89,
igr1=1023,1024,1025,
igr2=1167,1168,1169,
&end
#
# 52 VAL QG1 53 LEU QD1 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr1= 821, 822, 823,
igr2= 840, 841, 842,
&end
#
# 40 VAL QG1 96 LEU QD2 3.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 625, 626, 627,
igr2=1539,1540,1541,
&end
#
# 40 VAL QG1 64 LEU QD1 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 625, 626, 627,
igr2=1019,1020,1021,
&end
#
# 17 VAL QG2 150 VAL QG1 5.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 269, 270, 271,
igr2=2358,2359,2360,
&end
#
# 149 ILE QD1 150 VAL QG1 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=2346,2347,2348,
igr2=2358,2359,2360,
&end
#
# 40 VAL QG2 64 LEU QD1 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 629, 630, 631,
igr2=1019,1020,1021,
&end
#
# 52 VAL QG2 53 LEU HG 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 825, 826, 827,
&end
#
# 52 VAL QG2 96 LEU QD1 3.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 825, 826, 827,
igr2=1535,1536,1537,
&end
#
# 52 VAL QG2 96 LEU QD2 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.38, r4= 7.88,
igr1= 825, 826, 827,
igr2=1539,1540,1541,
&end
#
# 52 VAL QG2 73 VAL QG2 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 825, 826, 827,
igr2=1171,1172,1173,
&end
#
# 49 LEU QD1 52 VAL QG2 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 781, 782, 783,
igr2= 825, 826, 827,
&end
#
# 52 VAL QG2 53 LEU QD2 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 825, 826, 827,
igr2= 844, 845, 846,
&end
#
# 133 VAL QG2 149 ILE QD1 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=2132,2133,2134,
igr2=2346,2347,2348,
&end
#
# 75 VAL QG2 84 VAL QG2 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1=1209,1210,1211,
igr2=1352,1353,1354,
&end
#
# 59 VAL QG1 75 VAL QG2 5.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.44, r4= 8.94,
igr1= 937, 938, 939,
igr2=1209,1210,1211,
&end
#
# 35 LEU QD2 75 VAL QG2 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 560, 561, 562,
igr2=1209,1210,1211,
&end
#
# 75 VAL QG2 84 VAL QG1 5.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.52, r4= 9.02,
igr1=1209,1210,1211,
igr2=1348,1349,1350,
&end
#
# 28 ILE QD1 30 VAL QG1 3.9
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 433, 434, 435,
igr2= 467, 468, 469,
&end
#
# 157 ILE QD1 158 VAL QG1 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=2476,2477,2478,
igr2=2488,2489,2490,
&end
#
# 28 ILE QG1 30 VAL QG2 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1= 430, 431,
igr2= 471, 472, 473,
&end
#
# 59 VAL QG2 75 VAL QG2 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 941, 942, 943,
igr2=1209,1210,1211,
&end
#
# 53 LEU QD1 59 VAL QG2 5.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
igr1= 840, 841, 842,
igr2= 941, 942, 943,
&end
#
# 35 LEU QD2 59 VAL QG2 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 560, 561, 562,
igr2= 941, 942, 943,
&end
#
# 49 LEU QD2 62 VAL QG2 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 785, 786, 787,
igr2= 985, 986, 987,
&end
#
# 53 LEU QD2 62 VAL QG1 5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 844, 845, 846,
igr2= 981, 982, 983,
&end
#
# 62 VAL QG1 63 ILE QD1 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 981, 982, 983,
igr2=1004,1005,1006,
&end
#
# 53 LEU QD1 73 VAL QG1 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr1= 840, 841, 842,
igr2=1167,1168,1169,
&end
#
# 53 LEU QD1 73 VAL QG2 5.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.21, r4= 8.71,
igr1= 840, 841, 842,
igr2=1171,1172,1173,
&end
#
# 53 LEU QD2 75 VAL QG2 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 844, 845, 846,
igr2=1209,1210,1211,
&end
#
# 53 LEU QD2 75 VAL QG1 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 844, 845, 846,
igr2=1205,1206,1207,
&end
#
# 59 VAL QG1 75 VAL QG1 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 937, 938, 939,
igr2=1205,1206,1207,
&end
#
# 73 VAL QG2 75 VAL QG1 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1=1171,1172,1173,
igr2=1205,1206,1207,
&end
#
# 157 ILE QD1 158 VAL QG2 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=2476,2477,2478,
igr2=2492,2493,2494,
&end
#
# 73 VAL QG1 96 LEU QD2 5.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr1=1167,1168,1169,
igr2=1539,1540,1541,
&end
#
# 30 VAL QG1 124 LEU QD1 5.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1= 467, 468, 469,
igr2=1985,1986,1987,
&end
#
# 62 VAL QG2 63 ILE QD1 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 985, 986, 987,
igr2=1004,1005,1006,
&end
#
# 35 LEU QD1 53 LEU QD2 5.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.48, r4= 8.98,
igr1= 556, 557, 558,
igr2= 844, 845, 846,
&end
#
# 35 LEU QD1 85 LEU HG 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1365, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 556, 557, 558,
&end
#
# 18 SER H 23 LEU QQD 5.94
&rst
ixpk= 0, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 8.01, r4= 8.51,
igr2= 353, 354, 355, 357, 358, 359,
&end
#
# 19 TYR H 23 LEU QQD 5.73
&rst
ixpk= 0, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
igr2= 353, 354, 355, 357, 358, 359,
&end
#
# 20 ASP H 23 LEU QQD 4.69
&rst
ixpk= 0, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2= 353, 354, 355, 357, 358, 359,
&end
#
# 22 THR H 23 LEU QQD 4.92
&rst
ixpk= 0, nxpk= 0, iat= 330, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr2= 353, 354, 355, 357, 358, 359,
&end
#
# 23 LEU H 23 LEU QQD 3.59
&rst
ixpk= 0, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 353, 354, 355, 357, 358, 359,
&end
#
# 23 LEU QQD 148 GLY H 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1,2326, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 353, 354, 355, 357, 358, 359,
&end
#
# 23 LEU QQD 150 VAL QG1 2.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 353, 354, 355, 357, 358, 359,
igr2=2358,2359,2360,
&end
#
# 23 LEU QQD 150 VAL QG2 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 353, 354, 355, 357, 358, 359,
igr2=2362,2363,2364,
&end
#
# 93 ALA H 94 LEU QQD 5.13
&rst
ixpk= 0, nxpk= 0, iat=1483, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr2=1502,1503,1504,1506,1507,1508,
&end
#
# 94 LEU H 94 LEU QQD 3.76
&rst
ixpk= 0, nxpk= 0, iat=1493, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1502,1503,1504,1506,1507,1508,
&end
#
# 124 LEU QD1 145 LEU QQD 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1985,1986,1987,
igr2=2286,2287,2288,2290,2291,2292,
&end
#
# 129 LYS H 145 LEU QQD 5.05
&rst
ixpk= 0, nxpk= 0, iat=2043, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=2286,2287,2288,2290,2291,2292,
&end
#
# 133 VAL H 145 LEU QQD 4.76
&rst
ixpk= 0, nxpk= 0, iat=2122, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr2=2286,2287,2288,2290,2291,2292,
&end
#
# 133 VAL QG1 145 LEU QQD 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1=2128,2129,2130,
igr2=2286,2287,2288,2290,2291,2292,
&end
#
# 133 VAL QG2 145 LEU QQD 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1=2132,2133,2134,
igr2=2286,2287,2288,2290,2291,2292,
&end
#
# 134 SER H 145 LEU QQD 5.87
&rst
ixpk= 0, nxpk= 0, iat=2138, -1, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41,
igr2=2286,2287,2288,2290,2291,2292,
&end
#
# 140 THR H 145 LEU QQD 5.15
&rst
ixpk= 0, nxpk= 0, iat=2214, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr2=2286,2287,2288,2290,2291,2292,
&end
#
# 140 THR H 146 VAL QQG 5.94
&rst
ixpk= 0, nxpk= 0, iat=2214, -1, r1= 1.30, r2= 1.80, r3= 8.01, r4= 8.51,
igr2=2302,2303,2304,2306,2307,2308,
&end
#
# 142 GLY H 145 LEU QQD 4.41
&rst
ixpk= 0, nxpk= 0, iat=2239, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=2286,2287,2288,2290,2291,2292,
&end
#
# 143 GLN H 145 LEU QQD 5.2
&rst
ixpk= 0, nxpk= 0, iat=2246, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr2=2286,2287,2288,2290,2291,2292,
&end
#
# 143 GLN H 146 VAL QQG 5.31
&rst
ixpk= 0, nxpk= 0, iat=2246, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2=2302,2303,2304,2306,2307,2308,
&end
#
# 145 LEU H 145 LEU QQD 3.3
&rst
ixpk= 0, nxpk= 0, iat=2277, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr2=2286,2287,2288,2290,2291,2292,
&end
#
# 145 LEU H 146 VAL QQG 4.55
&rst
ixpk= 0, nxpk= 0, iat=2277, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr2=2302,2303,2304,2306,2307,2308,
&end
#
# 145 LEU QQD 146 VAL H 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1,2296, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=2286,2287,2288,2290,2291,2292,
&end
#
# 145 LEU QQD 146 VAL QQG 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1=2286,2287,2288,2290,2291,2292,
igr2=2302,2303,2304,2306,2307,2308,
&end
#
# 145 LEU QQD 147 THR H 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1,2312, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79,
igr1=2286,2287,2288,2290,2291,2292,
&end
#
# 145 LEU QQD 149 ILE H 5.87
&rst
ixpk= 0, nxpk= 0, iat= -1,2333, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41,
igr1=2286,2287,2288,2290,2291,2292,
&end
#
# 145 LEU QQD 149 ILE QG1 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2286,2287,2288,2290,2291,2292,
igr2=2343,2344,
&end
#
# 145 LEU QQD 149 ILE QD1 2.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=2286,2287,2288,2290,2291,2292,
igr2=2346,2347,2348,
&end
#
# 146 VAL H 146 VAL QQG 2.82
&rst
ixpk= 0, nxpk= 0, iat=2296, -1, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
igr2=2302,2303,2304,2306,2307,2308,
&end
#
# 146 VAL QQG 147 THR H 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1,2312, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1=2302,2303,2304,2306,2307,2308,
&end
#
# 146 VAL QQG 148 GLY H 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1,2326, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1=2302,2303,2304,2306,2307,2308,
&end
#
# 146 VAL QQG 149 ILE QG1 5.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,
igr1=2302,2303,2304,2306,2307,2308,
igr2=2343,2344,
&end
#
# 156 ILE QG1 158 VAL QQG 4.2
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=2454,2455,
igr2=2488,2489,2490,2492,2493,2494,
&end
#
# 156 ILE QD1 158 VAL QQG 3.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1=2457,2458,2459,
igr2=2488,2489,2490,2492,2493,2494,
&end
#
# 157 ILE QD1 158 VAL QQG 4.6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
igr1=2476,2477,2478,
igr2=2488,2489,2490,2492,2493,2494,
&end
#
# 158 VAL H 158 VAL QQG 3.15
&rst
ixpk= 0, nxpk= 0, iat=2482, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=2488,2489,2490,2492,2493,2494,
&end
#
# 158 VAL QQG 159 GLY H 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1,2498, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1=2488,2489,2490,2492,2493,2494,
&end
#
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