NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
474912 |
2kfy   |
16192 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 35 THR HB 36 ILE HN 4.09
&rst
ixpk= 0, nxpk= 0, iat= 510, 520, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 91 THR HB 92 GLU HN 3.66
&rst
ixpk= 0, nxpk= 0, iat=1390,1400, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 91 THR HN 91 THR HB 4.12
&rst
ixpk= 0, nxpk= 0, iat=1386,1390, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 63 SER HB2 64 GLU HN 3.95
&rst
ixpk= 0, nxpk= 0, iat= 920, 927, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 24 VAL HA 28 GLN HN 4.51
&rst
ixpk= 0, nxpk= 0, iat= 345, 402, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 23 SER HA 24 VAL HA 4.23
&rst
ixpk= 0, nxpk= 0, iat= 334, 345, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 24 VAL HA 27 VAL QG1 3.84
&rst
ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 392, 393, 394,
&end
#
# 24 VAL HA 43 VAL QG2 3.85
&rst
ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 612, 613, 614,
&end
#
# 24 VAL HA 43 VAL HB 4.31
&rst
ixpk= 0, nxpk= 0, iat= 345, 606, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 27 VAL HA 30 PHE HN 3.93
&rst
ixpk= 0, nxpk= 0, iat= 388, 433, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 27 VAL HA 30 PHE HB3 4.27
&rst
ixpk= 0, nxpk= 0, iat= 388, 438, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 27 VAL HA 27 VAL QG2 3.36
&rst
ixpk= 0, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 396, 397, 398,
&end
#
# 91 THR HA 94 ASP HN 3.99
&rst
ixpk= 0, nxpk= 0, iat=1388,1432, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 63 SER HB2 66 ASP HN 4.37
&rst
ixpk= 0, nxpk= 0, iat= 920, 954, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 95 TRP HZ3 96 VAL HA 4.20
&rst
ixpk= 0, nxpk= 0, iat=1461,1470, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 61 LEU QD1 67 VAL HA 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 968, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 899, 900, 901,
&end
#
# 91 THR HA 95 TRP HN 4.73
&rst
ixpk= 0, nxpk= 0, iat=1388,1444, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 91 THR HA 94 ASP HB2 3.66
&rst
ixpk= 0, nxpk= 0, iat=1388,1436, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 96 VAL HA 100 SER HA 4.32
&rst
ixpk= 0, nxpk= 0, iat=1470,1544, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 76 GLU QB 77 SER QB 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1134,1135,
igr2=1149,1150,
&end
#
# 77 SER HN 77 SER QB 3.25
&rst
ixpk= 0, nxpk= 0, iat=1145, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2=1149,1150,
&end
#
# 76 GLU HA 77 SER QB 4.16
&rst
ixpk= 0, nxpk= 0, iat=1132, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1149,1150,
&end
#
# 46 ILE QG2 100 SER HB2 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1546, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 661, 662, 663,
&end
#
# 96 VAL QG2 100 SER HB3 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1547, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1478,1479,1480,
&end
#
# 100 SER HB3 101 GLY HN 4.04
&rst
ixpk= 0, nxpk= 0, iat=1547,1553, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 14 LYS HN 88 SER HB3 4.72
&rst
ixpk= 0, nxpk= 0, iat= 181,1339, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 32 SER HN 32 SER HB2 3.47
&rst
ixpk= 0, nxpk= 0, iat= 472, 476, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 32 SER HB3 33 ASP HN 4.40
&rst
ixpk= 0, nxpk= 0, iat= 477, 483, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 43 VAL HA 44 HIS HB2 4.44
&rst
ixpk= 0, nxpk= 0, iat= 604, 622, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 43 VAL HA 60 GLU HN 4.45
&rst
ixpk= 0, nxpk= 0, iat= 604, 875, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 36 ILE QG2 43 VAL HA 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 604, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 526, 527, 528,
&end
#
# 43 VAL HA 43 VAL QG2 3.72
&rst
ixpk= 0, nxpk= 0, iat= 604, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 612, 613, 614,
&end
#
# 29 ASN HND1 30 PHE HA 3.91
&rst
ixpk= 0, nxpk= 0, iat= 428, 435, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 36 ILE HA 37 HIS HB3 4.34
&rst
ixpk= 0, nxpk= 0, iat= 522, 544, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 43 VAL QG2 59 VAL HA 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 612, 613, 614,
&end
#
# 12 VAL HA 61 LEU HN 3.87
&rst
ixpk= 0, nxpk= 0, iat= 151, 890, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 59 VAL HA 59 VAL QG1 3.37
&rst
ixpk= 0, nxpk= 0, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 865, 866, 867,
&end
#
# 44 HIS HN 59 VAL HA 4.58
&rst
ixpk= 0, nxpk= 0, iat= 618, 861, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 25 GLU HA 28 GLN HN 3.94
&rst
ixpk= 0, nxpk= 0, iat= 361, 402, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 68 LYS HA 71 LEU HN 4.06
&rst
ixpk= 0, nxpk= 0, iat= 984,1031, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 68 LYS HA 68 LYS HG2 3.79
&rst
ixpk= 0, nxpk= 0, iat= 984, 989, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 68 LYS HA 68 LYS HG3 3.55
&rst
ixpk= 0, nxpk= 0, iat= 984, 990, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 90 ARG HA 94 ASP HN 4.40
&rst
ixpk= 0, nxpk= 0, iat=1364,1432, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 90 ARG HA 93 MET HN 4.12
&rst
ixpk= 0, nxpk= 0, iat=1364,1415, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 46 ILE HA 47 TYR HN 3.39
&rst
ixpk= 0, nxpk= 0, iat= 657, 674, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 46 ILE HA 46 ILE QG2 3.35
&rst
ixpk= 0, nxpk= 0, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 661, 662, 663,
&end
#
# 28 GLN HA 31 LEU QD2 3.96
&rst
ixpk= 0, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 466, 467, 468,
&end
#
# 22 CYS HA 23 SER HN 3.23
&rst
ixpk= 0, nxpk= 0, iat= 323, 332, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 46 ILE HA 47 TYR HD 4.17
&rst
ixpk= 0, nxpk= 0, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 682, 691,
&end
#
# 92 GLU HA 95 TRP HB3 3.87
&rst
ixpk= 0, nxpk= 0, iat=1402,1449, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 92 GLU HA 92 GLU HG3 3.60
&rst
ixpk= 0, nxpk= 0, iat=1402,1408, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 64 GLU HA 68 LYS HN 4.51
&rst
ixpk= 0, nxpk= 0, iat= 929, 982, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 11 PHE HE 64 GLU HA 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 929, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 139, 143,
&end
#
# 87 LYS HA 87 LYS HG3 3.62
&rst
ixpk= 0, nxpk= 0, iat=1314,1320, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 86 PHE HA 87 LYS HA 4.66
&rst
ixpk= 0, nxpk= 0, iat=1294,1314, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 93 MET HA 97 LEU QD2 5.16
&rst
ixpk= 0, nxpk= 0, iat=1417, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2=1497,1498,1499,
&end
#
# 63 SER HN 66 ASP HA 5.07
&rst
ixpk= 0, nxpk= 0, iat= 916, 956, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 66 ASP HA 70 ALA HN 4.36
&rst
ixpk= 0, nxpk= 0, iat= 956,1021, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 66 ASP HA 69 MET HN 3.97
&rst
ixpk= 0, nxpk= 0, iat= 956,1004, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 66 ASP HA 69 MET HB3 4.04
&rst
ixpk= 0, nxpk= 0, iat= 956,1009, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 26 ASP HA 29 ASN HN 3.81
&rst
ixpk= 0, nxpk= 0, iat= 376, 419, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 72 LYS HA 72 LYS QD 2.85
&rst
ixpk= 0, nxpk= 0, iat=1052, -1, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,
igr2=1060,1061,
&end
#
# 69 MET HA 72 LYS HG3 3.06
&rst
ixpk= 0, nxpk= 0, iat=1006,1058, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 71 LEU HA 74 ASP HB2 4.61
&rst
ixpk= 0, nxpk= 0, iat=1033,1098, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 71 LEU HA 85 VAL HB 3.99
&rst
ixpk= 0, nxpk= 0, iat=1033,1280, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 71 LEU HA 71 LEU QD1 3.70
&rst
ixpk= 0, nxpk= 0, iat=1033, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=1040,1041,1042,
&end
#
# 47 TYR HA 54 SER HN 4.45
&rst
ixpk= 0, nxpk= 0, iat= 676, 796, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 74 ASP HA 85 VAL QG1 4.60
&rst
ixpk= 0, nxpk= 0, iat=1096, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1282,1283,1284,
&end
#
# 65 ASP HA 65 ASP HB2 2.94
&rst
ixpk= 0, nxpk= 0, iat= 944, 946, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 98 LYS HA 99 HIS HN 3.21
&rst
ixpk= 0, nxpk= 0, iat=1505,1525, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 98 LYS HA 98 LYS HB3 2.99
&rst
ixpk= 0, nxpk= 0, iat=1505,1508, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 71 LEU HA 74 ASP HN 4.49
&rst
ixpk= 0, nxpk= 0, iat=1033,1094, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 15 LEU HN 58 PHE HA 4.44
&rst
ixpk= 0, nxpk= 0, iat= 203, 841, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 14 LYS HA 58 PHE HA 3.69
&rst
ixpk= 0, nxpk= 0, iat= 183, 841, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 76 GLU HA 77 SER HN 3.22
&rst
ixpk= 0, nxpk= 0, iat=1132,1145, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 76 GLU HA 76 GLU QB 2.93
&rst
ixpk= 0, nxpk= 0, iat=1132, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2=1134,1135,
&end
#
# 65 ASP HA 68 LYS HN 3.52
&rst
ixpk= 0, nxpk= 0, iat= 944, 982, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 99 HIS HA 99 HIS HD2 3.51
&rst
ixpk= 0, nxpk= 0, iat=1527,1538, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 23 SER HA 24 VAL QG1 4.24
&rst
ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2= 349, 350, 351,
&end
#
# 60 GLU HA 60 GLU HG2 4.10
&rst
ixpk= 0, nxpk= 0, iat= 877, 882, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 11 PHE HA 12 VAL HN 3.10
&rst
ixpk= 0, nxpk= 0, iat= 131, 149, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 29 ASN HA 29 ASN HB3 2.90
&rst
ixpk= 0, nxpk= 0, iat= 421, 424, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 78 MET HA 78 MET HG2 3.29
&rst
ixpk= 0, nxpk= 0, iat=1158,1163, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 78 MET HA 79 GLY HA3 4.57
&rst
ixpk= 0, nxpk= 0, iat=1158,1176, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 69 MET HN 70 ALA HA 5.28
&rst
ixpk= 0, nxpk= 0, iat=1004,1023, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 86 PHE HA 87 LYS HN 3.02
&rst
ixpk= 0, nxpk= 0, iat=1294,1312, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 78 MET HA 78 MET HB3 2.69
&rst
ixpk= 0, nxpk= 0, iat=1158,1161, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19, &end
#
# 73 LYS HA 76 GLU HN 4.73
&rst
ixpk= 0, nxpk= 0, iat=1074,1130, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 73 LYS HA 73 LYS QE 4.76
&rst
ixpk= 0, nxpk= 0, iat=1074, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1085,1086,
&end
#
# 38 ASP HA 39 GLY HN 3.50
&rst
ixpk= 0, nxpk= 0, iat= 558, 568, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 70 ALA HA 72 LYS HN 4.31
&rst
ixpk= 0, nxpk= 0, iat=1023,1050, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 24 VAL HB 40 ALA HA 4.36
&rst
ixpk= 0, nxpk= 0, iat= 347, 577, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 40 ALA HA 43 VAL QG2 4.95
&rst
ixpk= 0, nxpk= 0, iat= 577, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 612, 613, 614,
&end
#
# 39 GLY HA3 40 ALA HA 4.80
&rst
ixpk= 0, nxpk= 0, iat= 571, 577, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 40 ALA HA 43 VAL HB 4.04
&rst
ixpk= 0, nxpk= 0, iat= 577, 606, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 24 VAL QG1 40 ALA HA 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 577, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 349, 350, 351,
&end
#
# 13 VAL HB 14 LYS HA 4.70
&rst
ixpk= 0, nxpk= 0, iat= 169, 183, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 14 LYS HA 14 LYS HG2 3.96
&rst
ixpk= 0, nxpk= 0, iat= 183, 188, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 17 GLY HN 56 GLU HA 4.54
&rst
ixpk= 0, nxpk= 0, iat= 246, 816, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 18 LEU HA 18 LEU QD1 3.87
&rst
ixpk= 0, nxpk= 0, iat= 255, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 262, 263, 264,
&end
#
# 61 LEU HA 62 GLY HA2 4.32
&rst
ixpk= 0, nxpk= 0, iat= 892, 911, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 41 ALA HA 43 VAL HN 3.94
&rst
ixpk= 0, nxpk= 0, iat= 587, 602, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 81 ARG HA 83 ILE QD1 5.20
&rst
ixpk= 0, nxpk= 0, iat=1199, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2=1255,1256,1257,
&end
#
# 15 LEU HA 85 VAL HA 4.26
&rst
ixpk= 0, nxpk= 0, iat= 205,1278, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 44 HIS HA 45 PHE HN 3.15
&rst
ixpk= 0, nxpk= 0, iat= 620, 635, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 44 HIS HA 97 LEU QD2 4.94
&rst
ixpk= 0, nxpk= 0, iat= 620, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1497,1498,1499,
&end
#
# 31 LEU HA 73 LYS HG3 4.36
&rst
ixpk= 0, nxpk= 0, iat= 455,1080, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 46 ILE QD1 57 ALA HA 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 668, 669, 670,
&end
#
# 35 THR QG2 62 GLY HA2 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 911, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 512, 513, 514,
&end
#
# 61 LEU HB2 62 GLY HA3 4.55
&rst
ixpk= 0, nxpk= 0, iat= 894, 912, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 35 THR HB 62 GLY HA3 4.70
&rst
ixpk= 0, nxpk= 0, iat= 510, 912, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 36 ILE QG2 39 GLY HA2 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 570, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 526, 527, 528,
&end
#
# 39 GLY HA2 41 ALA HN 4.30
&rst
ixpk= 0, nxpk= 0, iat= 570, 585, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 28 GLN HNE1 39 GLY HA3 4.65
&rst
ixpk= 0, nxpk= 0, iat= 414, 571, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 36 ILE HB 39 GLY HA3 4.23
&rst
ixpk= 0, nxpk= 0, iat= 524, 571, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 36 ILE QG2 39 GLY HA3 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 571, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 526, 527, 528,
&end
#
# 36 ILE QG2 42 GLY HA2 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 526, 527, 528,
&end
#
# 36 ILE QG2 42 GLY HA3 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 526, 527, 528,
&end
#
# 8 GLY QA 9 GLU HN 3.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 107, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr1= 102, 103,
&end
#
# 8 GLY QA 9 GLU HG3 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 102, 103,
&end
#
# 100 SER HA 101 GLY HA2 4.42
&rst
ixpk= 0, nxpk= 0, iat=1544,1555, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 66 ASP HB3 67 VAL HN 4.46
&rst
ixpk= 0, nxpk= 0, iat= 959, 966, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 61 LEU HB2 61 LEU QD2 3.89
&rst
ixpk= 0, nxpk= 0, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 903, 904, 905,
&end
#
# 61 LEU HB3 67 VAL QG1 5.05
&rst
ixpk= 0, nxpk= 0, iat= 895, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2= 972, 973, 974,
&end
#
# 10 GLY HA2 89 HIS HA 3.87
&rst
ixpk= 0, nxpk= 0, iat= 124,1347, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 10 GLY HA2 12 VAL QG2 4.59
&rst
ixpk= 0, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 159, 160, 161,
&end
#
# 61 LEU HB2 66 ASP HB3 4.18
&rst
ixpk= 0, nxpk= 0, iat= 894, 959, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 61 LEU QD1 66 ASP HB3 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 899, 900, 901,
&end
#
# 61 LEU HB3 62 GLY HN 4.27
&rst
ixpk= 0, nxpk= 0, iat= 895, 909, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 61 LEU HB3 61 LEU QD1 3.87
&rst
ixpk= 0, nxpk= 0, iat= 895, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 899, 900, 901,
&end
#
# 14 LYS HA 15 LEU HB2 5.31
&rst
ixpk= 0, nxpk= 0, iat= 183, 207, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 15 LEU HB2 15 LEU QD2 4.11
&rst
ixpk= 0, nxpk= 0, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 216, 217, 218,
&end
#
# 15 LEU HB2 15 LEU QD1 3.85
&rst
ixpk= 0, nxpk= 0, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 212, 213, 214,
&end
#
# 66 ASP HB3 67 VAL QG1 5.03
&rst
ixpk= 0, nxpk= 0, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 972, 973, 974,
&end
#
# 52 ARG QD 53 GLN HN 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 779, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 765, 766,
&end
#
# 49 ARG QD 50 GLU HA 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 735, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 719, 720,
&end
#
# 49 ARG HA 49 ARG QD 3.75
&rst
ixpk= 0, nxpk= 0, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2= 719, 720,
&end
#
# 49 ARG QB 49 ARG QD 3.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr1= 713, 714,
igr2= 719, 720,
&end
#
# 49 ARG QG 49 ARG QD 2.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr1= 716, 717,
igr2= 719, 720,
&end
#
# 87 LYS HG3 87 LYS QE 2.67
&rst
ixpk= 0, nxpk= 0, iat=1320, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2=1325,1326,
&end
#
# 52 ARG HA 52 ARG QD 4.18
&rst
ixpk= 0, nxpk= 0, iat= 757, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2= 765, 766,
&end
#
# 75 ARG HA 75 ARG HD2 4.52
&rst
ixpk= 0, nxpk= 0, iat=1108,1116, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 75 ARG HB2 75 ARG HD3 4.08
&rst
ixpk= 0, nxpk= 0, iat=1110,1117, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 75 ARG HA 75 ARG HD3 4.42
&rst
ixpk= 0, nxpk= 0, iat=1108,1117, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 75 ARG HN 75 ARG HD3 4.85
&rst
ixpk= 0, nxpk= 0, iat=1106,1117, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 86 PHE HN 86 PHE HB2 3.50
&rst
ixpk= 0, nxpk= 0, iat=1292,1296, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 74 ASP HN 74 ASP HB2 3.45
&rst
ixpk= 0, nxpk= 0, iat=1094,1098, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 74 ASP HB3 85 VAL HN 4.49
&rst
ixpk= 0, nxpk= 0, iat=1099,1276, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 73 LYS HA 74 ASP HB3 5.02
&rst
ixpk= 0, nxpk= 0, iat=1074,1099, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 71 LEU HA 74 ASP HB3 4.34
&rst
ixpk= 0, nxpk= 0, iat=1033,1099, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 72 LYS HN 72 LYS QE 4.27
&rst
ixpk= 0, nxpk= 0, iat=1050, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1063,1064,
&end
#
# 69 MET HA 72 LYS QE 3.55
&rst
ixpk= 0, nxpk= 0, iat=1006, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=1063,1064,
&end
#
# 72 LYS QD 72 LYS QE 2.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1=1060,1061,
igr2=1063,1064,
&end
#
# 71 LEU QD1 72 LYS QE 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1=1040,1041,1042,
igr2=1063,1064,
&end
#
# 68 LYS HN 68 LYS QE 5.42
&rst
ixpk= 0, nxpk= 0, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2= 995, 996,
&end
#
# 65 ASP HA 68 LYS QE 4.32
&rst
ixpk= 0, nxpk= 0, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 995, 996,
&end
#
# 98 LYS QD 98 LYS QE 2.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr1=1513,1514,
igr2=1516,1517,
&end
#
# 98 LYS HG2 98 LYS QE 3.39
&rst
ixpk= 0, nxpk= 0, iat=1510, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2=1516,1517,
&end
#
# 32 SER HN 73 LYS QE 4.29
&rst
ixpk= 0, nxpk= 0, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1085,1086,
&end
#
# 73 LYS HG3 73 LYS QE 3.14
&rst
ixpk= 0, nxpk= 0, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2=1085,1086,
&end
#
# 31 LEU QD1 73 LYS QE 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 462, 463, 464,
igr2=1085,1086,
&end
#
# 86 PHE HN 86 PHE HB3 3.87
&rst
ixpk= 0, nxpk= 0, iat=1292,1297, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 74 ASP HB3 75 ARG HN 4.64
&rst
ixpk= 0, nxpk= 0, iat=1099,1106, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 98 LYS HG3 98 LYS QE 3.49
&rst
ixpk= 0, nxpk= 0, iat=1511, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1516,1517,
&end
#
# 70 ALA HA 73 LYS QE 4.73
&rst
ixpk= 0, nxpk= 0, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1085,1086,
&end
#
# 14 LYS HE2 88 SER HA 3.23
&rst
ixpk= 0, nxpk= 0, iat= 194,1336, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 14 LYS HE2 86 PHE HE 4.59
&rst
ixpk= 0, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1302,1306,
&end
#
# 14 LYS HE3 88 SER HA 3.52
&rst
ixpk= 0, nxpk= 0, iat= 195,1336, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 14 LYS HE3 86 PHE HE 4.50
&rst
ixpk= 0, nxpk= 0, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1302,1306,
&end
#
# 14 LYS HE3 86 PHE HB2 4.82
&rst
ixpk= 0, nxpk= 0, iat= 195,1296, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 31 LEU HA 73 LYS QE 3.58
&rst
ixpk= 0, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1085,1086,
&end
#
# 26 ASP HB2 27 VAL HN 4.29
&rst
ixpk= 0, nxpk= 0, iat= 378, 386, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 23 SER HN 26 ASP HB2 4.06
&rst
ixpk= 0, nxpk= 0, iat= 332, 378, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 97 LEU HN 97 LEU HB3 3.95
&rst
ixpk= 0, nxpk= 0, iat=1484,1489, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 47 TYR QB 48 THR HN 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 695, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 678, 679,
&end
#
# 71 LEU HB2 72 LYS HN 4.55
&rst
ixpk= 0, nxpk= 0, iat=1035,1050, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 71 LEU HB2 71 LEU QD1 3.64
&rst
ixpk= 0, nxpk= 0, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1040,1041,1042,
&end
#
# 71 LEU HB2 71 LEU QD2 3.94
&rst
ixpk= 0, nxpk= 0, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1044,1045,1046,
&end
#
# 97 LEU HB2 97 LEU QD2 3.87
&rst
ixpk= 0, nxpk= 0, iat=1488, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1497,1498,1499,
&end
#
# 71 LEU HN 71 LEU HB3 3.88
&rst
ixpk= 0, nxpk= 0, iat=1031,1036, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 71 LEU HB3 72 LYS HN 4.45
&rst
ixpk= 0, nxpk= 0, iat=1036,1050, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 97 LEU HB3 97 LEU QD1 3.84
&rst
ixpk= 0, nxpk= 0, iat=1489, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1493,1494,1495,
&end
#
# 97 LEU HB3 98 LYS HN 4.36
&rst
ixpk= 0, nxpk= 0, iat=1489,1503, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 33 ASP HB2 34 CYS HN 4.55
&rst
ixpk= 0, nxpk= 0, iat= 487, 495, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 18 LEU HB3 18 LEU QD1 3.60
&rst
ixpk= 0, nxpk= 0, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 262, 263, 264,
&end
#
# 29 ASN HND1 30 PHE HB2 4.64
&rst
ixpk= 0, nxpk= 0, iat= 428, 437, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 33 ASP HN 33 ASP HB2 3.93
&rst
ixpk= 0, nxpk= 0, iat= 483, 487, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 33 ASP HB3 69 MET QE 4.38
&rst
ixpk= 0, nxpk= 0, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1015,1016,1017,
&end
#
# 94 ASP HN 94 ASP HB2 3.28
&rst
ixpk= 0, nxpk= 0, iat=1432,1436, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 94 ASP HB2 95 TRP HN 3.65
&rst
ixpk= 0, nxpk= 0, iat=1436,1444, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 91 THR QG2 94 ASP HB2 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1436, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1=1392,1393,1394,
&end
#
# 94 ASP HN 94 ASP HB3 3.39
&rst
ixpk= 0, nxpk= 0, iat=1432,1437, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 94 ASP HB3 95 TRP HN 3.70
&rst
ixpk= 0, nxpk= 0, iat=1437,1444, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 65 ASP HN 65 ASP HB2 3.65
&rst
ixpk= 0, nxpk= 0, iat= 942, 946, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 65 ASP HB2 66 ASP HN 3.99
&rst
ixpk= 0, nxpk= 0, iat= 946, 954, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 63 SER HB2 65 ASP HB3 4.47
&rst
ixpk= 0, nxpk= 0, iat= 920, 947, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 64 GLU HB3 65 ASP HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 932, 947, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 LEU HB2 31 LEU QD2 3.86
&rst
ixpk= 0, nxpk= 0, iat= 457, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 466, 467, 468,
&end
#
# 31 LEU HB3 34 CYS HB2 4.45
&rst
ixpk= 0, nxpk= 0, iat= 458, 499, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 31 LEU HB3 31 LEU QD1 3.77
&rst
ixpk= 0, nxpk= 0, iat= 458, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 462, 463, 464,
&end
#
# 45 PHE HB2 46 ILE HN 4.16
&rst
ixpk= 0, nxpk= 0, iat= 639, 655, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 45 PHE HN 45 PHE HB2 3.99
&rst
ixpk= 0, nxpk= 0, iat= 635, 639, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 45 PHE HN 45 PHE HB3 3.76
&rst
ixpk= 0, nxpk= 0, iat= 635, 640, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 38 ASP HN 38 ASP HB3 3.83
&rst
ixpk= 0, nxpk= 0, iat= 556, 561, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 11 PHE HB2 67 VAL QG1 4.15
&rst
ixpk= 0, nxpk= 0, iat= 133, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 972, 973, 974,
&end
#
# 11 PHE HB2 61 LEU QD1 4.49
&rst
ixpk= 0, nxpk= 0, iat= 133, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 899, 900, 901,
&end
#
# 38 ASP HB2 41 ALA HA 4.09
&rst
ixpk= 0, nxpk= 0, iat= 560, 587, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 11 PHE HB3 61 LEU HB3 4.34
&rst
ixpk= 0, nxpk= 0, iat= 134, 895, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 11 PHE HB3 61 LEU QD1 4.91
&rst
ixpk= 0, nxpk= 0, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2= 899, 900, 901,
&end
#
# 11 PHE HB3 67 VAL QG1 3.96
&rst
ixpk= 0, nxpk= 0, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 972, 973, 974,
&end
#
# 29 ASN HN 29 ASN HB2 3.21
&rst
ixpk= 0, nxpk= 0, iat= 419, 423, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 26 ASP HA 29 ASN HB3 2.96
&rst
ixpk= 0, nxpk= 0, iat= 376, 424, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 29 ASN HB3 30 PHE HB2 5.33
&rst
ixpk= 0, nxpk= 0, iat= 424, 437, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 44 HIS HD2 60 GLU HG2 4.72
&rst
ixpk= 0, nxpk= 0, iat= 631, 882, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 12 VAL QG1 60 GLU HG2 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 155, 156, 157,
&end
#
# 12 VAL QG2 60 GLU HG2 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 159, 160, 161,
&end
#
# 60 GLU HG2 93 MET QE 4.81
&rst
ixpk= 0, nxpk= 0, iat= 882, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=1426,1427,1428,
&end
#
# 60 GLU HN 60 GLU HG3 4.27
&rst
ixpk= 0, nxpk= 0, iat= 875, 883, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 60 GLU HG3 93 MET QE 4.69
&rst
ixpk= 0, nxpk= 0, iat= 883, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=1426,1427,1428,
&end
#
# 12 VAL QG2 60 GLU HG3 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 883, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 159, 160, 161,
&end
#
# 60 GLU HA 60 GLU HG3 4.19
&rst
ixpk= 0, nxpk= 0, iat= 877, 883, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 29 ASN HB2 30 PHE HN 4.39
&rst
ixpk= 0, nxpk= 0, iat= 423, 433, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 28 GLN HG3 29 ASN HB3 4.46
&rst
ixpk= 0, nxpk= 0, iat= 410, 424, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 36 ILE HB 39 GLY HA2 4.25
&rst
ixpk= 0, nxpk= 0, iat= 524, 570, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 30 PHE HE 76 GLU HG3 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1138, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 443, 447,
&end
#
# 76 GLU HA 76 GLU HG2 3.81
&rst
ixpk= 0, nxpk= 0, iat=1132,1137, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 84 GLU HA 84 GLU HG2 4.16
&rst
ixpk= 0, nxpk= 0, iat=1263,1268, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 76 GLU HN 76 GLU HG3 3.74
&rst
ixpk= 0, nxpk= 0, iat=1130,1138, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 24 VAL QG1 25 GLU HG2 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 349, 350, 351,
&end
#
# 76 GLU HG2 77 SER HN 4.13
&rst
ixpk= 0, nxpk= 0, iat=1137,1145, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 73 LYS HG3 76 GLU HG2 3.85
&rst
ixpk= 0, nxpk= 0, iat=1080,1137, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 76 GLU HA 76 GLU HG3 3.43
&rst
ixpk= 0, nxpk= 0, iat=1132,1138, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 56 GLU HG3 57 ALA HN 4.76
&rst
ixpk= 0, nxpk= 0, iat= 822, 829, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 25 GLU HA 25 GLU HG2 3.48
&rst
ixpk= 0, nxpk= 0, iat= 361, 366, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 24 VAL QG2 25 GLU HG2 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 353, 354, 355,
&end
#
# 25 GLU HN 25 GLU HG2 3.95
&rst
ixpk= 0, nxpk= 0, iat= 359, 366, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 25 GLU HN 25 GLU HG3 3.70
&rst
ixpk= 0, nxpk= 0, iat= 359, 367, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 25 GLU HA 25 GLU HG3 3.36
&rst
ixpk= 0, nxpk= 0, iat= 361, 367, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 50 GLU HN 50 GLU HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 733, 740, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 92 GLU HG2 96 VAL QG1 4.28
&rst
ixpk= 0, nxpk= 0, iat=1407, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1474,1475,1476,
&end
#
# 92 GLU HG3 96 VAL QG1 4.63
&rst
ixpk= 0, nxpk= 0, iat=1408, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1474,1475,1476,
&end
#
# 50 GLU HA 50 GLU HG3 3.34
&rst
ixpk= 0, nxpk= 0, iat= 735, 741, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 58 PHE HE 92 GLU HG3 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1408, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 849, 853,
&end
#
# 14 LYS HB2 86 PHE HB2 4.22
&rst
ixpk= 0, nxpk= 0, iat= 185,1296, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 12 VAL HB 89 HIS HA 4.16
&rst
ixpk= 0, nxpk= 0, iat= 153,1347, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 12 VAL HB 88 SER HB3 4.26
&rst
ixpk= 0, nxpk= 0, iat= 153,1339, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 64 GLU QG 65 ASP HN 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 934, 935,
&end
#
# 11 PHE HD 64 GLU QG 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 137, 145,
igr2= 934, 935,
&end
#
# 64 GLU QG 68 LYS HN 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 982, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 934, 935,
&end
#
# 11 PHE HE 64 GLU QG 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 139, 143,
igr2= 934, 935,
&end
#
# 64 GLU HA 64 GLU QG 3.12
&rst
ixpk= 0, nxpk= 0, iat= 929, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 934, 935,
&end
#
# 64 GLU QG 68 LYS QE 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 934, 935,
igr2= 995, 996,
&end
#
# 64 GLU HB2 64 GLU QG 2.46
&rst
ixpk= 0, nxpk= 0, iat= 931, -1, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26,
igr2= 934, 935,
&end
#
# 64 GLU HB3 64 GLU QG 2.50
&rst
ixpk= 0, nxpk= 0, iat= 932, -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr2= 934, 935,
&end
#
# 64 GLU QG 68 LYS QD 2.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,
igr1= 934, 935,
igr2= 992, 993,
&end
#
# 64 GLU QG 68 LYS HG3 3.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 990, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr1= 934, 935,
&end
#
# 64 GLU QG 67 VAL QG1 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 934, 935,
igr2= 972, 973, 974,
&end
#
# 14 LYS HB3 86 PHE HB3 4.42
&rst
ixpk= 0, nxpk= 0, iat= 186,1297, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 14 LYS HB3 58 PHE HD 4.62
&rst
ixpk= 0, nxpk= 0, iat= 186, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 847, 855,
&end
#
# 9 GLU HN 9 GLU HG2 4.31
&rst
ixpk= 0, nxpk= 0, iat= 107, 114, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 78 MET HN 78 MET HB2 4.13
&rst
ixpk= 0, nxpk= 0, iat=1156,1160, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 78 MET HB2 83 ILE QD1 4.34
&rst
ixpk= 0, nxpk= 0, iat=1160, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1255,1256,1257,
&end
#
# 78 MET HB3 78 MET QE 4.02
&rst
ixpk= 0, nxpk= 0, iat=1161, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1167,1168,1169,
&end
#
# 78 MET HB3 83 ILE QD1 4.58
&rst
ixpk= 0, nxpk= 0, iat=1161, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1255,1256,1257,
&end
#
# 25 GLU HA 28 GLN HG2 4.59
&rst
ixpk= 0, nxpk= 0, iat= 361, 409, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 28 GLN HA 28 GLN HG2 3.69
&rst
ixpk= 0, nxpk= 0, iat= 404, 409, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 24 VAL QG2 28 GLN HG2 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 409, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 353, 354, 355,
&end
#
# 28 GLN HG2 36 ILE QD1 4.27
&rst
ixpk= 0, nxpk= 0, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 533, 534, 535,
&end
#
# 28 GLN HA 28 GLN HG3 3.78
&rst
ixpk= 0, nxpk= 0, iat= 404, 410, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 28 GLN HG3 36 ILE QD1 4.81
&rst
ixpk= 0, nxpk= 0, iat= 410, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 533, 534, 535,
&end
#
# 85 VAL HB 86 PHE HA 4.64
&rst
ixpk= 0, nxpk= 0, iat=1280,1294, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 90 ARG HA 93 MET HB3 4.32
&rst
ixpk= 0, nxpk= 0, iat=1364,1420, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 74 ASP HB2 85 VAL HB 4.27
&rst
ixpk= 0, nxpk= 0, iat=1098,1280, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 74 ASP HB3 85 VAL HB 4.31
&rst
ixpk= 0, nxpk= 0, iat=1099,1280, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 9 GLU HG3 89 HIS HB3 4.97
&rst
ixpk= 0, nxpk= 0, iat= 115,1350, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 87 LYS HN 87 LYS HB2 3.34
&rst
ixpk= 0, nxpk= 0, iat=1312,1316, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 87 LYS HB3 87 LYS QE 4.19
&rst
ixpk= 0, nxpk= 0, iat=1317, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1325,1326,
&end
#
# 87 LYS HB3 88 SER HN 4.18
&rst
ixpk= 0, nxpk= 0, iat=1317,1334, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 9 GLU HB2 89 HIS HB3 4.51
&rst
ixpk= 0, nxpk= 0, iat= 111,1350, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 69 MET HB3 69 MET QG 2.84
&rst
ixpk= 0, nxpk= 0, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,
igr2=1011,1012,
&end
#
# 87 LYS HB2 88 SER HN 3.90
&rst
ixpk= 0, nxpk= 0, iat=1316,1334, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 87 LYS HB2 87 LYS QE 4.37
&rst
ixpk= 0, nxpk= 0, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1325,1326,
&end
#
# 71 LEU QD1 87 LYS HB3 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1317, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1040,1041,1042,
&end
#
# 71 LEU QD2 87 LYS HB3 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1317, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=1044,1045,1046,
&end
#
# 98 LYS HN 98 LYS HB3 3.53
&rst
ixpk= 0, nxpk= 0, iat=1503,1508, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 69 MET HA 69 MET QG 3.58
&rst
ixpk= 0, nxpk= 0, iat=1006, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1011,1012,
&end
#
# 69 MET QG 70 ALA HN 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1021, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1=1011,1012,
&end
#
# 66 ASP HA 69 MET HB2 4.42
&rst
ixpk= 0, nxpk= 0, iat= 956,1008, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 42 GLY HN 43 VAL HB 4.47
&rst
ixpk= 0, nxpk= 0, iat= 595, 606, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 98 LYS HB3 98 LYS QE 4.55
&rst
ixpk= 0, nxpk= 0, iat=1508, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2=1516,1517,
&end
#
# 60 GLU HN 60 GLU HB3 3.93
&rst
ixpk= 0, nxpk= 0, iat= 875, 880, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 37 HIS HB2 60 GLU HB3 4.76
&rst
ixpk= 0, nxpk= 0, iat= 543, 880, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 72 LYS QB 74 ASP HN 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1094, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1054,1055,
&end
#
# 68 LYS HN 68 LYS HB3 3.30
&rst
ixpk= 0, nxpk= 0, iat= 982, 987, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 68 LYS HB3 68 LYS QE 4.15
&rst
ixpk= 0, nxpk= 0, iat= 987, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 995, 996,
&end
#
# 46 ILE QD1 96 VAL HB 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1472, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 668, 669, 670,
&end
#
# 58 PHE HB2 93 MET HG2 4.55
&rst
ixpk= 0, nxpk= 0, iat= 843,1422, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 61 LEU QD1 67 VAL HB 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 970, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 899, 900, 901,
&end
#
# 24 VAL HN 24 VAL HB 3.35
&rst
ixpk= 0, nxpk= 0, iat= 343, 347, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 24 VAL HB 28 GLN HNE1 4.73
&rst
ixpk= 0, nxpk= 0, iat= 347, 414, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 95 TRP HE3 96 VAL HB 4.73
&rst
ixpk= 0, nxpk= 0, iat=1463,1472, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 93 MET HG2 97 LEU QD2 4.42
&rst
ixpk= 0, nxpk= 0, iat=1422, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1497,1498,1499,
&end
#
# 93 MET HG3 97 LEU QD2 4.49
&rst
ixpk= 0, nxpk= 0, iat=1423, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1497,1498,1499,
&end
#
# 93 MET HG3 94 ASP HN 4.84
&rst
ixpk= 0, nxpk= 0, iat=1423,1432, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 78 MET HG2 83 ILE QD1 4.93
&rst
ixpk= 0, nxpk= 0, iat=1163, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2=1255,1256,1257,
&end
#
# 27 VAL HB 28 GLN HN 3.97
&rst
ixpk= 0, nxpk= 0, iat= 390, 402, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 30 PHE HD 78 MET HG2 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1163, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 441, 449,
&end
#
# 30 PHE HB2 78 MET HG2 4.68
&rst
ixpk= 0, nxpk= 0, iat= 437,1163, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 34 CYS HB2 35 THR HN 4.34
&rst
ixpk= 0, nxpk= 0, iat= 499, 506, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 31 LEU HB2 34 CYS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 457, 499, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 HIS HB2 38 ASP HN 4.76
&rst
ixpk= 0, nxpk= 0, iat= 543, 556, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 37 HIS HB2 61 LEU QD2 5.21
&rst
ixpk= 0, nxpk= 0, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2= 903, 904, 905,
&end
#
# 31 LEU HB2 34 CYS HB3 4.43
&rst
ixpk= 0, nxpk= 0, iat= 457, 500, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 34 CYS HB3 61 LEU QD2 3.81
&rst
ixpk= 0, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 903, 904, 905,
&end
#
# 87 LYS HB2 87 LYS QD 2.76
&rst
ixpk= 0, nxpk= 0, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,
igr2=1322,1323,
&end
#
# 44 HIS HB3 45 PHE HN 4.06
&rst
ixpk= 0, nxpk= 0, iat= 623, 635, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 34 CYS HB3 35 THR HN 4.29
&rst
ixpk= 0, nxpk= 0, iat= 500, 506, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 73 LYS HA 76 GLU QB 4.75
&rst
ixpk= 0, nxpk= 0, iat=1074, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=1134,1135,
&end
#
# 71 LEU QD1 87 LYS QD 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=1040,1041,1042,
igr2=1322,1323,
&end
#
# 92 GLU HA 95 TRP HB2 4.33
&rst
ixpk= 0, nxpk= 0, iat=1402,1448, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 95 TRP HB2 96 VAL HN 4.47
&rst
ixpk= 0, nxpk= 0, iat=1448,1468, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 64 GLU HB2 67 VAL QG1 4.68
&rst
ixpk= 0, nxpk= 0, iat= 931, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 972, 973, 974,
&end
#
# 63 SER HB3 64 GLU HB3 4.36
&rst
ixpk= 0, nxpk= 0, iat= 921, 932, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 48 THR QG2 49 ARG QB 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1= 701, 702, 703,
igr2= 713, 714,
&end
#
# 87 LYS HN 87 LYS QD 4.51
&rst
ixpk= 0, nxpk= 0, iat=1312, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1322,1323,
&end
#
# 90 ARG HN 92 GLU HB3 4.05
&rst
ixpk= 0, nxpk= 0, iat=1362,1405, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 68 LYS HN 68 LYS QD 3.64
&rst
ixpk= 0, nxpk= 0, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2= 992, 993,
&end
#
# 65 ASP HA 68 LYS QD 3.75
&rst
ixpk= 0, nxpk= 0, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2= 992, 993,
&end
#
# 72 LYS QB 72 LYS QD 2.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr1=1054,1055,
igr2=1060,1061,
&end
#
# 75 ARG HA 75 ARG HG2 4.25
&rst
ixpk= 0, nxpk= 0, iat=1108,1113, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 95 TRP HN 95 TRP HB2 3.71
&rst
ixpk= 0, nxpk= 0, iat=1444,1448, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 95 TRP HB2 95 TRP HE3 4.20
&rst
ixpk= 0, nxpk= 0, iat=1448,1463, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 95 TRP HB2 96 VAL QG1 4.87
&rst
ixpk= 0, nxpk= 0, iat=1448, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1474,1475,1476,
&end
#
# 94 ASP HN 95 TRP HB3 4.73
&rst
ixpk= 0, nxpk= 0, iat=1432,1449, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 28 GLN HB2 28 GLN HNE2 4.82
&rst
ixpk= 0, nxpk= 0, iat= 406, 415, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 25 GLU HA 28 GLN HB2 5.41
&rst
ixpk= 0, nxpk= 0, iat= 361, 406, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 64 GLU HN 64 GLU HB2 3.39
&rst
ixpk= 0, nxpk= 0, iat= 927, 931, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 11 PHE HE 64 GLU HB2 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 931, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 139, 143,
&end
#
# 28 GLN HB3 28 GLN HNE1 4.15
&rst
ixpk= 0, nxpk= 0, iat= 407, 414, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 64 GLU HN 64 GLU HB3 3.40
&rst
ixpk= 0, nxpk= 0, iat= 927, 932, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 11 PHE HE 64 GLU HB3 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 932, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 139, 143,
&end
#
# 72 LYS HG3 72 LYS QD 2.79
&rst
ixpk= 0, nxpk= 0, iat=1058, -1, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,
igr2=1060,1061,
&end
#
# 75 ARG HN 75 ARG HG2 4.89
&rst
ixpk= 0, nxpk= 0, iat=1106,1113, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 94 ASP HN 95 TRP HB2 4.88
&rst
ixpk= 0, nxpk= 0, iat=1432,1448, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 25 GLU HB3 29 ASN HN 5.16
&rst
ixpk= 0, nxpk= 0, iat= 364, 419, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 98 LYS HB2 98 LYS QD 3.79
&rst
ixpk= 0, nxpk= 0, iat=1507, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=1513,1514,
&end
#
# 98 LYS HN 98 LYS QD 5.29
&rst
ixpk= 0, nxpk= 0, iat=1503, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=1513,1514,
&end
#
# 98 LYS HA 98 LYS QD 3.61
&rst
ixpk= 0, nxpk= 0, iat=1505, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=1513,1514,
&end
#
# 14 LYS HD2 86 PHE HE 4.55
&rst
ixpk= 0, nxpk= 0, iat= 191, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2=1302,1306,
&end
#
# 25 GLU HN 25 GLU HB2 3.40
&rst
ixpk= 0, nxpk= 0, iat= 359, 363, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 25 GLU HN 25 GLU HB3 3.49
&rst
ixpk= 0, nxpk= 0, iat= 359, 364, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 25 GLU HB3 26 ASP HN 3.95
&rst
ixpk= 0, nxpk= 0, iat= 364, 374, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 15 LEU HN 15 LEU HG 4.49
&rst
ixpk= 0, nxpk= 0, iat= 203, 210, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 15 LEU HG 83 ILE QG2 4.61
&rst
ixpk= 0, nxpk= 0, iat= 210, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1248,1249,1250,
&end
#
# 72 LYS HN 73 LYS HD2 4.43
&rst
ixpk= 0, nxpk= 0, iat=1050,1082, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 31 LEU QD1 73 LYS HD2 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1,1082, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 462, 463, 464,
&end
#
# 73 LYS HN 73 LYS HD2 4.40
&rst
ixpk= 0, nxpk= 0, iat=1072,1082, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 30 PHE HE 73 LYS HD2 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1082, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 443, 447,
&end
#
# 73 LYS HD3 74 ASP HN 5.15
&rst
ixpk= 0, nxpk= 0, iat=1083,1094, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 30 PHE HE 73 LYS HD3 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1083, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 443, 447,
&end
#
# 61 LEU QD1 62 GLY HN 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 899, 900, 901,
&end
#
# 61 LEU HA 61 LEU QD1 4.30
&rst
ixpk= 0, nxpk= 0, iat= 892, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 899, 900, 901,
&end
#
# 61 LEU QD1 66 ASP HB2 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 958, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 899, 900, 901,
&end
#
# 36 ILE HN 36 ILE QG1 4.11
&rst
ixpk= 0, nxpk= 0, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 530, 531,
&end
#
# 35 THR HA 36 ILE QG1 4.14
&rst
ixpk= 0, nxpk= 0, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 530, 531,
&end
#
# 31 LEU HA 73 LYS HD2 4.80
&rst
ixpk= 0, nxpk= 0, iat= 455,1082, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 70 ALA HA 73 LYS HD2 4.39
&rst
ixpk= 0, nxpk= 0, iat=1023,1082, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 73 LYS HN 73 LYS HD3 4.19
&rst
ixpk= 0, nxpk= 0, iat=1072,1083, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 70 ALA HA 73 LYS HD3 4.12
&rst
ixpk= 0, nxpk= 0, iat=1023,1083, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 73 LYS QB 73 LYS HD3 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1083, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1076,1077,
&end
#
# 12 VAL HA 61 LEU QD1 4.41
&rst
ixpk= 0, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 899, 900, 901,
&end
#
# 13 VAL HB 61 LEU QD1 4.95
&rst
ixpk= 0, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 899, 900, 901,
&end
#
# 61 LEU QD1 70 ALA QB 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 899, 900, 901,
igr2=1025,1026,1027,
&end
#
# 61 LEU QD1 67 VAL QG1 3.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 899, 900, 901,
igr2= 972, 973, 974,
&end
#
# 13 VAL QG1 61 LEU QD1 2.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1= 171, 172, 173,
igr2= 899, 900, 901,
&end
#
# 78 MET HN 83 ILE HG13 4.50
&rst
ixpk= 0, nxpk= 0, iat=1156,1253, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 46 ILE HN 46 ILE HG12 4.58
&rst
ixpk= 0, nxpk= 0, iat= 655, 665, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 46 ILE HG12 58 PHE HE 4.79
&rst
ixpk= 0, nxpk= 0, iat= 665, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 849, 853,
&end
#
# 49 ARG HA 49 ARG QG 3.47
&rst
ixpk= 0, nxpk= 0, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 716, 717,
&end
#
# 46 ILE HG12 58 PHE HD 4.65
&rst
ixpk= 0, nxpk= 0, iat= 665, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 847, 855,
&end
#
# 97 LEU HN 97 LEU HG 4.10
&rst
ixpk= 0, nxpk= 0, iat=1484,1491, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 49 ARG QG 50 GLU HN 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 733, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 716, 717,
&end
#
# 49 ARG QB 49 ARG QG 2.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr1= 713, 714,
igr2= 716, 717,
&end
#
# 48 THR HB 49 ARG QG 3.19
&rst
ixpk= 0, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 716, 717,
&end
#
# 81 ARG QG 83 ILE QD1 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr1=1204,1205,
igr2=1255,1256,1257,
&end
#
# 30 PHE HE 31 LEU HG 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 443, 447,
&end
#
# 61 LEU HG 62 GLY HN 4.73
&rst
ixpk= 0, nxpk= 0, iat= 897, 909, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 58 PHE HZ 97 LEU QD2 4.34
&rst
ixpk= 0, nxpk= 0, iat= 851, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1497,1498,1499,
&end
#
# 71 LEU QD1 87 LYS HG2 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1319, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1040,1041,1042,
&end
#
# 71 LEU QD1 87 LYS HG3 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1040,1041,1042,
&end
#
# 71 LEU QD1 87 LYS QE 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1040,1041,1042,
igr2=1325,1326,
&end
#
# 15 LEU QD1 30 PHE HD 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 212, 213, 214,
igr2= 441, 449,
&end
#
# 15 LEU HA 15 LEU QD1 3.90
&rst
ixpk= 0, nxpk= 0, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 212, 213, 214,
&end
#
# 15 LEU QD1 85 VAL HA 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1278, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 212, 213, 214,
&end
#
# 45 PHE HA 97 LEU QD2 4.52
&rst
ixpk= 0, nxpk= 0, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1497,1498,1499,
&end
#
# 44 HIS HB2 97 LEU QD2 4.31
&rst
ixpk= 0, nxpk= 0, iat= 622, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=1497,1498,1499,
&end
#
# 87 LYS HN 87 LYS HG2 4.30
&rst
ixpk= 0, nxpk= 0, iat=1312,1319, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 87 LYS HG2 88 SER HN 4.17
&rst
ixpk= 0, nxpk= 0, iat=1319,1334, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 87 LYS HN 87 LYS HG3 4.15
&rst
ixpk= 0, nxpk= 0, iat=1312,1320, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 87 LYS HG3 88 SER HN 3.93
&rst
ixpk= 0, nxpk= 0, iat=1320,1334, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 71 LEU QD1 87 LYS HN 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1312, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=1040,1041,1042,
&end
#
# 71 LEU HN 71 LEU QD1 3.57
&rst
ixpk= 0, nxpk= 0, iat=1031, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=1040,1041,1042,
&end
#
# 71 LEU QD1 72 LYS HN 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1050, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1040,1041,1042,
&end
#
# 68 LYS HN 71 LEU QD1 4.29
&rst
ixpk= 0, nxpk= 0, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1040,1041,1042,
&end
#
# 68 LYS HA 71 LEU QD1 3.37
&rst
ixpk= 0, nxpk= 0, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=1040,1041,1042,
&end
#
# 67 VAL HA 71 LEU QD1 5.14
&rst
ixpk= 0, nxpk= 0, iat= 968, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1040,1041,1042,
&end
#
# 15 LEU HN 15 LEU QD1 4.34
&rst
ixpk= 0, nxpk= 0, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 212, 213, 214,
&end
#
# 97 LEU HN 97 LEU QD2 3.83
&rst
ixpk= 0, nxpk= 0, iat=1484, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1497,1498,1499,
&end
#
# 97 LEU HA 97 LEU QD2 3.61
&rst
ixpk= 0, nxpk= 0, iat=1486, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1497,1498,1499,
&end
#
# 58 PHE HB3 97 LEU QD2 4.48
&rst
ixpk= 0, nxpk= 0, iat= 844, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1497,1498,1499,
&end
#
# 68 LYS HG2 68 LYS QE 3.74
&rst
ixpk= 0, nxpk= 0, iat= 989, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 995, 996,
&end
#
# 68 LYS HN 68 LYS HG3 3.69
&rst
ixpk= 0, nxpk= 0, iat= 982, 990, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 68 LYS HG3 68 LYS QE 3.64
&rst
ixpk= 0, nxpk= 0, iat= 990, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2= 995, 996,
&end
#
# 72 LYS HN 72 LYS HG2 3.58
&rst
ixpk= 0, nxpk= 0, iat=1050,1057, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 72 LYS HG2 72 LYS QE 3.70
&rst
ixpk= 0, nxpk= 0, iat=1057, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=1063,1064,
&end
#
# 64 GLU QG 68 LYS HG2 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 989, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 934, 935,
&end
#
# 72 LYS HN 72 LYS HG3 3.72
&rst
ixpk= 0, nxpk= 0, iat=1050,1058, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 72 LYS HG3 72 LYS QE 3.70
&rst
ixpk= 0, nxpk= 0, iat=1058, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=1063,1064,
&end
#
# 65 ASP HA 68 LYS HG3 4.48
&rst
ixpk= 0, nxpk= 0, iat= 944, 990, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 68 LYS HG3 71 LEU QD1 4.19
&rst
ixpk= 0, nxpk= 0, iat= 990, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1040,1041,1042,
&end
#
# 13 VAL HB 14 LYS HG2 5.39
&rst
ixpk= 0, nxpk= 0, iat= 169, 188, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 69 MET HA 72 LYS HG2 3.35
&rst
ixpk= 0, nxpk= 0, iat=1006,1057, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 15 LEU QD2 30 PHE HD 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 216, 217, 218,
igr2= 441, 449,
&end
#
# 15 LEU HA 15 LEU QD2 3.42
&rst
ixpk= 0, nxpk= 0, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 216, 217, 218,
&end
#
# 15 LEU QD2 16 ARG HN 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 216, 217, 218,
&end
#
# 15 LEU HN 15 LEU QD2 4.14
&rst
ixpk= 0, nxpk= 0, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 216, 217, 218,
&end
#
# 98 LYS HA 98 LYS HG2 3.45
&rst
ixpk= 0, nxpk= 0, iat=1505,1510, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 61 LEU HN 61 LEU QD2 3.97
&rst
ixpk= 0, nxpk= 0, iat= 890, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 903, 904, 905,
&end
#
# 61 LEU HA 61 LEU QD2 3.39
&rst
ixpk= 0, nxpk= 0, iat= 892, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 903, 904, 905,
&end
#
# 73 LYS HA 73 LYS HG2 3.79
&rst
ixpk= 0, nxpk= 0, iat=1074,1079, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 70 ALA HA 73 LYS HG2 4.30
&rst
ixpk= 0, nxpk= 0, iat=1023,1079, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 73 LYS HN 73 LYS HG3 3.89
&rst
ixpk= 0, nxpk= 0, iat=1072,1080, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 61 LEU QD2 62 GLY HN 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 903, 904, 905,
&end
#
# 34 CYS HB2 61 LEU QD2 4.30
&rst
ixpk= 0, nxpk= 0, iat= 499, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 903, 904, 905,
&end
#
# 73 LYS HN 73 LYS HG2 3.93
&rst
ixpk= 0, nxpk= 0, iat=1072,1079, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 73 LYS HG2 76 GLU HG2 4.75
&rst
ixpk= 0, nxpk= 0, iat=1079,1137, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 96 VAL HN 96 VAL QG1 3.36
&rst
ixpk= 0, nxpk= 0, iat=1468, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1474,1475,1476,
&end
#
# 92 GLU HA 96 VAL QG1 4.02
&rst
ixpk= 0, nxpk= 0, iat=1402, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1474,1475,1476,
&end
#
# 96 VAL HA 96 VAL QG1 3.23
&rst
ixpk= 0, nxpk= 0, iat=1470, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=1474,1475,1476,
&end
#
# 95 TRP HB3 96 VAL QG1 3.86
&rst
ixpk= 0, nxpk= 0, iat=1449, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1474,1475,1476,
&end
#
# 92 GLU HB3 96 VAL QG1 4.51
&rst
ixpk= 0, nxpk= 0, iat=1405, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1474,1475,1476,
&end
#
# 46 ILE QD1 96 VAL QG1 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 668, 669, 670,
igr2=1474,1475,1476,
&end
#
# 96 VAL QG1 97 LEU HN 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1,1484, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1=1474,1475,1476,
&end
#
# 67 VAL QG1 68 LYS HN 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 982, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 972, 973, 974,
&end
#
# 67 VAL HA 67 VAL QG1 3.42
&rst
ixpk= 0, nxpk= 0, iat= 968, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 972, 973, 974,
&end
#
# 27 VAL HA 27 VAL QG1 3.36
&rst
ixpk= 0, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 392, 393, 394,
&end
#
# 18 LEU HN 18 LEU QD2 4.28
&rst
ixpk= 0, nxpk= 0, iat= 253, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 266, 267, 268,
&end
#
# 18 LEU HA 18 LEU QD2 4.17
&rst
ixpk= 0, nxpk= 0, iat= 255, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 266, 267, 268,
&end
#
# 11 PHE HN 67 VAL QG1 4.55
&rst
ixpk= 0, nxpk= 0, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 972, 973, 974,
&end
#
# 67 VAL HN 67 VAL QG1 3.30
&rst
ixpk= 0, nxpk= 0, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 972, 973, 974,
&end
#
# 26 ASP HA 27 VAL QG1 4.96
&rst
ixpk= 0, nxpk= 0, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2= 392, 393, 394,
&end
#
# 27 VAL QG1 43 VAL QG2 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 392, 393, 394,
igr2= 612, 613, 614,
&end
#
# 24 VAL QG1 45 PHE HE 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 349, 350, 351,
igr2= 645, 649,
&end
#
# 12 VAL QG1 89 HIS HN 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1345, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 155, 156, 157,
&end
#
# 12 VAL QG1 59 VAL HN 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 155, 156, 157,
&end
#
# 12 VAL QG1 13 VAL HN 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 165, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 155, 156, 157,
&end
#
# 12 VAL QG1 58 PHE HA 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 841, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 155, 156, 157,
&end
#
# 12 VAL QG1 88 SER HB2 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1338, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 155, 156, 157,
&end
#
# 12 VAL QG1 88 SER HB3 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1339, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 155, 156, 157,
&end
#
# 12 VAL QG1 58 PHE HB3 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 844, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 155, 156, 157,
&end
#
# 12 VAL QG1 60 GLU HG3 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 883, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 155, 156, 157,
&end
#
# 12 VAL HN 12 VAL QG1 4.10
&rst
ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 155, 156, 157,
&end
#
# 12 VAL QG1 58 PHE HE 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1= 155, 156, 157,
igr2= 849, 853,
&end
#
# 12 VAL QG1 58 PHE HD 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 155, 156, 157,
igr2= 847, 855,
&end
#
# 12 VAL HA 12 VAL QG1 3.49
&rst
ixpk= 0, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 155, 156, 157,
&end
#
# 12 VAL QG1 58 PHE HB2 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 843, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 155, 156, 157,
&end
#
# 45 PHE HB3 97 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1493,1494,1495,
&end
#
# 43 VAL QG2 57 ALA QB 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 612, 613, 614,
igr2= 833, 834, 835,
&end
#
# 44 HIS HN 57 ALA QB 4.63
&rst
ixpk= 0, nxpk= 0, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 833, 834, 835,
&end
#
# 31 LEU HB3 31 LEU QD2 2.93
&rst
ixpk= 0, nxpk= 0, iat= 458, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2= 466, 467, 468,
&end
#
# 43 VAL QG2 59 VAL QG1 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 612, 613, 614,
igr2= 865, 866, 867,
&end
#
# 24 VAL HN 24 VAL QG1 3.24
&rst
ixpk= 0, nxpk= 0, iat= 343, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 349, 350, 351,
&end
#
# 24 VAL HA 24 VAL QG1 2.87
&rst
ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr2= 349, 350, 351,
&end
#
# 24 VAL QG1 43 VAL HB 3.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 606, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1= 349, 350, 351,
&end
#
# 24 VAL QG1 43 VAL QG2 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 349, 350, 351,
igr2= 612, 613, 614,
&end
#
# 45 PHE HN 97 LEU QD1 4.69
&rst
ixpk= 0, nxpk= 0, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=1493,1494,1495,
&end
#
# 46 ILE HA 97 LEU QD1 4.30
&rst
ixpk= 0, nxpk= 0, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1493,1494,1495,
&end
#
# 44 HIS HB3 97 LEU QD1 4.00
&rst
ixpk= 0, nxpk= 0, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1493,1494,1495,
&end
#
# 57 ALA QB 58 PHE HN 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 833, 834, 835,
&end
#
# 46 ILE HN 57 ALA QB 4.70
&rst
ixpk= 0, nxpk= 0, iat= 655, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 833, 834, 835,
&end
#
# 13 VAL QG1 14 LYS HN 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 181, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 171, 172, 173,
&end
#
# 13 VAL QG1 88 SER HN 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1334, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 171, 172, 173,
&end
#
# 13 VAL HA 13 VAL QG1 3.40
&rst
ixpk= 0, nxpk= 0, iat= 167, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 171, 172, 173,
&end
#
# 31 LEU HN 31 LEU QD1 4.48
&rst
ixpk= 0, nxpk= 0, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 462, 463, 464,
&end
#
# 71 LEU HN 71 LEU QD2 3.38
&rst
ixpk= 0, nxpk= 0, iat=1031, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=1044,1045,1046,
&end
#
# 71 LEU QD2 72 LYS HN 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1050, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1044,1045,1046,
&end
#
# 71 LEU QD2 86 PHE HA 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1,1294, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=1044,1045,1046,
&end
#
# 71 LEU HA 71 LEU QD2 2.82
&rst
ixpk= 0, nxpk= 0, iat=1033, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr2=1044,1045,1046,
&end
#
# 71 LEU QD2 87 LYS HB2 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=1044,1045,1046,
&end
#
# 27 VAL QG2 28 GLN HN 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 396, 397, 398,
&end
#
# 27 VAL QG2 28 GLN HA 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 396, 397, 398,
&end
#
# 27 VAL QG2 43 VAL QG2 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 396, 397, 398,
igr2= 612, 613, 614,
&end
#
# 91 THR HN 91 THR QG2 3.92
&rst
ixpk= 0, nxpk= 0, iat=1386, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1392,1393,1394,
&end
#
# 91 THR QG2 93 MET HN 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1,1415, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=1392,1393,1394,
&end
#
# 91 THR QG2 95 TRP HB3 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1449, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1=1392,1393,1394,
&end
#
# 13 VAL HN 13 VAL QG1 4.47
&rst
ixpk= 0, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 171, 172, 173,
&end
#
# 91 THR QG2 94 ASP HN 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1432, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1392,1393,1394,
&end
#
# 91 THR QG2 92 GLU HN 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1,1400, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1=1392,1393,1394,
&end
#
# 91 THR HA 91 THR QG2 3.01
&rst
ixpk= 0, nxpk= 0, iat=1388, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2=1392,1393,1394,
&end
#
# 12 VAL HN 12 VAL QG2 3.63
&rst
ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 159, 160, 161,
&end
#
# 12 VAL QG2 60 GLU HA 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 877, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1= 159, 160, 161,
&end
#
# 47 TYR HA 48 THR QG2 4.14
&rst
ixpk= 0, nxpk= 0, iat= 676, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 701, 702, 703,
&end
#
# 48 THR HN 48 THR QG2 3.53
&rst
ixpk= 0, nxpk= 0, iat= 695, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 701, 702, 703,
&end
#
# 96 VAL HA 96 VAL QG2 3.36
&rst
ixpk= 0, nxpk= 0, iat=1470, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1478,1479,1480,
&end
#
# 46 ILE QG2 96 VAL QG2 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 661, 662, 663,
igr2=1478,1479,1480,
&end
#
# 12 VAL QG2 61 LEU HN 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 890, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 159, 160, 161,
&end
#
# 12 VAL QG2 13 VAL HN 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 165, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 159, 160, 161,
&end
#
# 12 VAL HA 12 VAL QG2 3.42
&rst
ixpk= 0, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 159, 160, 161,
&end
#
# 12 VAL QG2 90 ARG HA 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1364, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 159, 160, 161,
&end
#
# 35 THR QG2 36 ILE HN 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1= 512, 513, 514,
&end
#
# 96 VAL QG2 100 SER HA 3.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1544, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr1=1478,1479,1480,
&end
#
# 24 VAL QG1 43 VAL QG1 3.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 349, 350, 351,
igr2= 608, 609, 610,
&end
#
# 59 VAL HA 59 VAL QG2 3.52
&rst
ixpk= 0, nxpk= 0, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 869, 870, 871,
&end
#
# 15 LEU HG 59 VAL QG2 4.11
&rst
ixpk= 0, nxpk= 0, iat= 210, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 869, 870, 871,
&end
#
# 43 VAL QG2 59 VAL QG2 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 612, 613, 614,
igr2= 869, 870, 871,
&end
#
# 35 THR HN 35 THR QG2 3.71
&rst
ixpk= 0, nxpk= 0, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 512, 513, 514,
&end
#
# 35 THR QG2 62 GLY HN 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 512, 513, 514,
&end
#
# 35 THR HA 35 THR QG2 2.75
&rst
ixpk= 0, nxpk= 0, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2= 512, 513, 514,
&end
#
# 24 VAL HN 24 VAL QG2 3.68
&rst
ixpk= 0, nxpk= 0, iat= 343, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 353, 354, 355,
&end
#
# 24 VAL QG2 25 GLU HN 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 353, 354, 355,
&end
#
# 24 VAL QG2 28 GLN HN 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 353, 354, 355,
&end
#
# 24 VAL QG2 25 GLU HA 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 361, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 353, 354, 355,
&end
#
# 24 VAL QG2 40 ALA HA 2.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 577, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr1= 353, 354, 355,
&end
#
# 24 VAL QG2 43 VAL HB 3.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 606, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr1= 353, 354, 355,
&end
#
# 24 VAL QG2 40 ALA QB 3.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 353, 354, 355,
igr2= 579, 580, 581,
&end
#
# 24 VAL QG2 43 VAL QG1 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 353, 354, 355,
igr2= 608, 609, 610,
&end
#
# 24 VAL QG2 43 VAL QG2 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 353, 354, 355,
igr2= 612, 613, 614,
&end
#
# 67 VAL QG2 88 SER HN 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1334, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 976, 977, 978,
&end
#
# 67 VAL QG2 68 LYS HN 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 982, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 976, 977, 978,
&end
#
# 67 VAL HN 67 VAL QG2 3.77
&rst
ixpk= 0, nxpk= 0, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 976, 977, 978,
&end
#
# 11 PHE HD 67 VAL QG2 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 137, 145,
igr2= 976, 977, 978,
&end
#
# 13 VAL HA 67 VAL QG2 4.80
&rst
ixpk= 0, nxpk= 0, iat= 167, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 976, 977, 978,
&end
#
# 67 VAL QG2 87 LYS HA 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1314, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 976, 977, 978,
&end
#
# 67 VAL QG2 68 LYS HA 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 984, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 976, 977, 978,
&end
#
# 67 VAL HA 67 VAL QG2 3.37
&rst
ixpk= 0, nxpk= 0, iat= 968, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 976, 977, 978,
&end
#
# 67 VAL QG2 87 LYS QE 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 976, 977, 978,
igr2=1325,1326,
&end
#
# 67 VAL QG2 71 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= 976, 977, 978,
igr2=1044,1045,1046,
&end
#
# 43 VAL QG1 44 HIS HN 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 618, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 608, 609, 610,
&end
#
# 43 VAL HN 43 VAL QG1 3.33
&rst
ixpk= 0, nxpk= 0, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 608, 609, 610,
&end
#
# 43 VAL HA 43 VAL QG1 3.47
&rst
ixpk= 0, nxpk= 0, iat= 604, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2= 608, 609, 610,
&end
#
# 30 PHE HE 85 VAL QG1 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 443, 447,
igr2=1282,1283,1284,
&end
#
# 58 PHE HA 59 VAL QG2 4.63
&rst
ixpk= 0, nxpk= 0, iat= 841, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 869, 870, 871,
&end
#
# 85 VAL HN 85 VAL QG1 4.28
&rst
ixpk= 0, nxpk= 0, iat=1276, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1282,1283,1284,
&end
#
# 71 LEU HA 85 VAL QG1 3.43
&rst
ixpk= 0, nxpk= 0, iat=1033, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1282,1283,1284,
&end
#
# 13 VAL HB 85 VAL QG1 3.86
&rst
ixpk= 0, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1282,1283,1284,
&end
#
# 71 LEU HN 85 VAL QG1 4.28
&rst
ixpk= 0, nxpk= 0, iat=1031, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1282,1283,1284,
&end
#
# 85 VAL HA 85 VAL QG1 3.57
&rst
ixpk= 0, nxpk= 0, iat=1278, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=1282,1283,1284,
&end
#
# 74 ASP HB3 85 VAL QG1 4.65
&rst
ixpk= 0, nxpk= 0, iat=1099, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1282,1283,1284,
&end
#
# 70 ALA QB 85 VAL QG1 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=1025,1026,1027,
igr2=1282,1283,1284,
&end
#
# 13 VAL QG1 85 VAL QG1 2.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 171, 172, 173,
igr2=1282,1283,1284,
&end
#
# 85 VAL QG1 86 PHE HA 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1294, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1=1282,1283,1284,
&end
#
# 30 PHE HE 85 VAL QG2 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 443, 447,
igr2=1286,1287,1288,
&end
#
# 15 LEU HA 85 VAL QG2 4.38
&rst
ixpk= 0, nxpk= 0, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1286,1287,1288,
&end
#
# 85 VAL HA 85 VAL QG2 3.44
&rst
ixpk= 0, nxpk= 0, iat=1278, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1286,1287,1288,
&end
#
# 74 ASP HA 85 VAL QG2 3.49
&rst
ixpk= 0, nxpk= 0, iat=1096, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1286,1287,1288,
&end
#
# 73 LYS QB 85 VAL QG2 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1076,1077,
igr2=1286,1287,1288,
&end
#
# 75 ARG HN 85 VAL QG2 4.27
&rst
ixpk= 0, nxpk= 0, iat=1106, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1286,1287,1288,
&end
#
# 85 VAL QG2 86 PHE HN 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1292, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1=1286,1287,1288,
&end
#
# 85 VAL HN 85 VAL QG2 3.83
&rst
ixpk= 0, nxpk= 0, iat=1276, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1286,1287,1288,
&end
#
# 73 LYS HA 85 VAL QG2 4.88
&rst
ixpk= 0, nxpk= 0, iat=1074, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=1286,1287,1288,
&end
#
# 74 ASP HB2 85 VAL QG2 4.24
&rst
ixpk= 0, nxpk= 0, iat=1098, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=1286,1287,1288,
&end
#
# 74 ASP HB3 85 VAL QG2 4.33
&rst
ixpk= 0, nxpk= 0, iat=1099, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1286,1287,1288,
&end
#
# 83 ILE QG2 85 VAL QG2 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1248,1249,1250,
igr2=1286,1287,1288,
&end
#
# 40 ALA HN 40 ALA QB 2.97
&rst
ixpk= 0, nxpk= 0, iat= 575, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2= 579, 580, 581,
&end
#
# 70 ALA HN 70 ALA QB 3.21
&rst
ixpk= 0, nxpk= 0, iat=1021, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2=1025,1026,1027,
&end
#
# 67 VAL HA 70 ALA QB 3.70
&rst
ixpk= 0, nxpk= 0, iat= 968, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=1025,1026,1027,
&end
#
# 40 ALA QB 42 GLY HN 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 595, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 579, 580, 581,
&end
#
# 69 MET HN 70 ALA QB 4.48
&rst
ixpk= 0, nxpk= 0, iat=1004, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1025,1026,1027,
&end
#
# 40 ALA QB 41 ALA HN 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 585, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 579, 580, 581,
&end
#
# 28 GLN HNE2 40 ALA QB 4.15
&rst
ixpk= 0, nxpk= 0, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 579, 580, 581,
&end
#
# 41 ALA HN 41 ALA QB 2.78
&rst
ixpk= 0, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2= 589, 590, 591,
&end
#
# 38 ASP HB2 41 ALA QB 3.04
&rst
ixpk= 0, nxpk= 0, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 589, 590, 591,
&end
#
# 38 ASP HB3 41 ALA QB 3.19
&rst
ixpk= 0, nxpk= 0, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 589, 590, 591,
&end
#
# 13 VAL QG2 88 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1334, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 175, 176, 177,
&end
#
# 13 VAL QG2 59 VAL HN 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 175, 176, 177,
&end
#
# 13 VAL HA 13 VAL QG2 3.60
&rst
ixpk= 0, nxpk= 0, iat= 167, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 175, 176, 177,
&end
#
# 13 VAL QG2 87 LYS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1314, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 175, 176, 177,
&end
#
# 13 VAL QG2 70 ALA HA 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1023, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 175, 176, 177,
&end
#
# 13 VAL QG2 67 VAL HA 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 968, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 175, 176, 177,
&end
#
# 13 VAL QG2 59 VAL HB 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 863, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 175, 176, 177,
&end
#
# 13 VAL QG2 70 ALA QB 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 175, 176, 177,
igr2=1025,1026,1027,
&end
#
# 36 ILE QG2 43 VAL QG2 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
igr1= 526, 527, 528,
igr2= 612, 613, 614,
&end
#
# 28 GLN HA 36 ILE QG2 4.73
&rst
ixpk= 0, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 526, 527, 528,
&end
#
# 46 ILE HN 46 ILE QG2 4.07
&rst
ixpk= 0, nxpk= 0, iat= 655, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 661, 662, 663,
&end
#
# 46 ILE QG2 47 TYR HN 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 661, 662, 663,
&end
#
# 46 ILE QG2 100 SER HB3 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1547, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 661, 662, 663,
&end
#
# 46 ILE QG2 47 TYR QB 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 661, 662, 663,
igr2= 678, 679,
&end
#
# 46 ILE QG2 96 VAL HB 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1472, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 661, 662, 663,
&end
#
# 30 PHE HD 83 ILE QG2 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr1= 441, 449,
igr2=1248,1249,1250,
&end
#
# 83 ILE HN 83 ILE QG2 3.90
&rst
ixpk= 0, nxpk= 0, iat=1242, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1248,1249,1250,
&end
#
# 83 ILE QG2 84 GLU HN 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1261, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=1248,1249,1250,
&end
#
# 15 LEU HA 83 ILE QG2 4.24
&rst
ixpk= 0, nxpk= 0, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=1248,1249,1250,
&end
#
# 83 ILE QG2 84 GLU HA 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1263, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1=1248,1249,1250,
&end
#
# 83 ILE HA 83 ILE QG2 3.80
&rst
ixpk= 0, nxpk= 0, iat=1244, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1248,1249,1250,
&end
#
# 15 LEU QD2 83 ILE QG2 3.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 216, 217, 218,
igr2=1248,1249,1250,
&end
#
# 83 ILE QG2 83 ILE QD1 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=1248,1249,1250,
igr2=1255,1256,1257,
&end
#
# 69 MET HN 69 MET QE 3.81
&rst
ixpk= 0, nxpk= 0, iat=1004, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1015,1016,1017,
&end
#
# 69 MET QG 69 MET QE 3.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1=1011,1012,
igr2=1015,1016,1017,
&end
#
# 93 MET QE 94 ASP HN 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1432, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1=1426,1427,1428,
&end
#
# 44 HIS HD2 93 MET QE 4.40
&rst
ixpk= 0, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1426,1427,1428,
&end
#
# 93 MET QE 94 ASP HA 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1,1434, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=1426,1427,1428,
&end
#
# 90 ARG HA 93 MET QE 3.33
&rst
ixpk= 0, nxpk= 0, iat=1364, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1426,1427,1428,
&end
#
# 93 MET QE 94 ASP HB2 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1,1436, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1426,1427,1428,
&end
#
# 93 MET HB3 93 MET QE 3.49
&rst
ixpk= 0, nxpk= 0, iat=1420, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1426,1427,1428,
&end
#
# 12 VAL QG1 93 MET QE 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 155, 156, 157,
igr2=1426,1427,1428,
&end
#
# 12 VAL QG2 93 MET QE 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 159, 160, 161,
igr2=1426,1427,1428,
&end
#
# 36 ILE QG2 60 GLU HN 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 875, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 526, 527, 528,
&end
#
# 36 ILE QG2 37 HIS HB3 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 526, 527, 528,
&end
#
# 36 ILE HN 36 ILE QG2 4.07
&rst
ixpk= 0, nxpk= 0, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 526, 527, 528,
&end
#
# 36 ILE QG2 42 GLY HN 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 595, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 526, 527, 528,
&end
#
# 36 ILE QG2 39 GLY HN 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 568, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 526, 527, 528,
&end
#
# 36 ILE QG2 61 LEU HA 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 892, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 526, 527, 528,
&end
#
# 36 ILE QG2 37 HIS HB2 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 526, 527, 528,
&end
#
# 36 ILE QG2 59 VAL QG1 3.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 526, 527, 528,
igr2= 865, 866, 867,
&end
#
# 36 ILE QG2 36 ILE QD1 3.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 526, 527, 528,
igr2= 533, 534, 535,
&end
#
# 46 ILE QG2 47 TYR HA 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 676, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 661, 662, 663,
&end
#
# 29 ASN HN 78 MET QE 4.69
&rst
ixpk= 0, nxpk= 0, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=1167,1168,1169,
&end
#
# 30 PHE HN 78 MET QE 3.63
&rst
ixpk= 0, nxpk= 0, iat= 433, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2=1167,1168,1169,
&end
#
# 29 ASN HND1 78 MET QE 4.82
&rst
ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=1167,1168,1169,
&end
#
# 30 PHE HD 78 MET QE 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 441, 449,
igr2=1167,1168,1169,
&end
#
# 30 PHE HA 78 MET QE 3.79
&rst
ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1167,1168,1169,
&end
#
# 30 PHE HB2 78 MET QE 2.98
&rst
ixpk= 0, nxpk= 0, iat= 437, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2=1167,1168,1169,
&end
#
# 30 PHE HB3 78 MET QE 3.72
&rst
ixpk= 0, nxpk= 0, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1167,1168,1169,
&end
#
# 78 MET HG2 78 MET QE 3.41
&rst
ixpk= 0, nxpk= 0, iat=1163, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1167,1168,1169,
&end
#
# 78 MET HG3 78 MET QE 3.56
&rst
ixpk= 0, nxpk= 0, iat=1164, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=1167,1168,1169,
&end
#
# 27 VAL HN 78 MET QE 4.11
&rst
ixpk= 0, nxpk= 0, iat= 386, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1167,1168,1169,
&end
#
# 26 ASP HB3 78 MET QE 3.82
&rst
ixpk= 0, nxpk= 0, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1167,1168,1169,
&end
#
# 78 MET QE 83 ILE QG2 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1=1167,1168,1169,
igr2=1248,1249,1250,
&end
#
# 78 MET QE 83 ILE QD1 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=1167,1168,1169,
igr2=1255,1256,1257,
&end
#
# 28 GLN HNE2 36 ILE QD1 4.97
&rst
ixpk= 0, nxpk= 0, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 533, 534, 535,
&end
#
# 35 THR HA 36 ILE QD1 3.56
&rst
ixpk= 0, nxpk= 0, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 533, 534, 535,
&end
#
# 28 GLN HA 36 ILE QD1 3.32
&rst
ixpk= 0, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2= 533, 534, 535,
&end
#
# 28 GLN HB3 36 ILE QD1 3.39
&rst
ixpk= 0, nxpk= 0, iat= 407, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 533, 534, 535,
&end
#
# 28 GLN HN 36 ILE QD1 4.56
&rst
ixpk= 0, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 533, 534, 535,
&end
#
# 36 ILE QD1 39 GLY HN 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 568, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 533, 534, 535,
&end
#
# 28 GLN HNE1 36 ILE QD1 4.52
&rst
ixpk= 0, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 533, 534, 535,
&end
#
# 28 GLN HB2 36 ILE QD1 4.05
&rst
ixpk= 0, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 533, 534, 535,
&end
#
# 36 ILE QD1 43 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= 533, 534, 535,
igr2= 612, 613, 614,
&end
#
# 46 ILE HB 46 ILE QD1 3.25
&rst
ixpk= 0, nxpk= 0, iat= 659, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2= 668, 669, 670,
&end
#
# 46 ILE HN 46 ILE QD1 4.38
&rst
ixpk= 0, nxpk= 0, iat= 655, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 668, 669, 670,
&end
#
# 83 ILE QD1 84 GLU HN 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1261, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1255,1256,1257,
&end
#
# 78 MET HN 83 ILE QD1 4.71
&rst
ixpk= 0, nxpk= 0, iat=1156, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1255,1256,1257,
&end
#
# 83 ILE HA 83 ILE QD1 3.94
&rst
ixpk= 0, nxpk= 0, iat=1244, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1255,1256,1257,
&end
#
# 18 LEU HA 83 ILE QD1 4.07
&rst
ixpk= 0, nxpk= 0, iat= 255, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1255,1256,1257,
&end
#
# 83 ILE HB 83 ILE QD1 4.15
&rst
ixpk= 0, nxpk= 0, iat=1246, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=1255,1256,1257,
&end
#
# 37 HIS HN 38 ASP HN 4.36
&rst
ixpk= 0, nxpk= 0, iat= 539, 556, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 37 HIS HN 61 LEU HA 3.98
&rst
ixpk= 0, nxpk= 0, iat= 539, 892, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 36 ILE HA 37 HIS HN 3.51
&rst
ixpk= 0, nxpk= 0, iat= 522, 539, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 37 HIS HN 37 HIS HB2 3.80
&rst
ixpk= 0, nxpk= 0, iat= 539, 543, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 37 HIS HN 37 HIS HB3 3.73
&rst
ixpk= 0, nxpk= 0, iat= 539, 544, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 36 ILE HB 37 HIS HN 5.01
&rst
ixpk= 0, nxpk= 0, iat= 524, 539, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 36 ILE QG2 37 HIS HN 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 526, 527, 528,
&end
#
# 37 HIS HN 61 LEU QD2 4.15
&rst
ixpk= 0, nxpk= 0, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 903, 904, 905,
&end
#
# 37 HIS HN 61 LEU HB2 5.03
&rst
ixpk= 0, nxpk= 0, iat= 539, 894, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 47 TYR HN 47 TYR HD 4.45
&rst
ixpk= 0, nxpk= 0, iat= 674, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 682, 691,
&end
#
# 47 TYR HN 47 TYR QB 3.77
&rst
ixpk= 0, nxpk= 0, iat= 674, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 678, 679,
&end
#
# 46 ILE QD1 47 TYR HN 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 668, 669, 670,
&end
#
# 35 THR HA 36 ILE HN 2.90
&rst
ixpk= 0, nxpk= 0, iat= 508, 520, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 36 ILE HN 36 ILE QD1 3.77
&rst
ixpk= 0, nxpk= 0, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 533, 534, 535,
&end
#
# 47 TYR HN 48 THR HA 5.21
&rst
ixpk= 0, nxpk= 0, iat= 674, 697, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 36 ILE HN 36 ILE HB 3.30
&rst
ixpk= 0, nxpk= 0, iat= 520, 524, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 59 VAL HA 60 GLU HN 3.32
&rst
ixpk= 0, nxpk= 0, iat= 861, 875, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 60 GLU HN 60 GLU HG2 4.10
&rst
ixpk= 0, nxpk= 0, iat= 875, 882, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 59 VAL HB 60 GLU HN 4.74
&rst
ixpk= 0, nxpk= 0, iat= 863, 875, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 59 VAL QG1 60 GLU HN 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 875, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 865, 866, 867,
&end
#
# 28 GLN HNE2 40 ALA HN 4.83
&rst
ixpk= 0, nxpk= 0, iat= 415, 575, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 40 ALA HN 41 ALA HA 5.36
&rst
ixpk= 0, nxpk= 0, iat= 575, 587, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 39 GLY HA2 40 ALA HN 3.14
&rst
ixpk= 0, nxpk= 0, iat= 570, 575, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 39 GLY HA3 40 ALA HN 3.31
&rst
ixpk= 0, nxpk= 0, iat= 571, 575, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 24 VAL QG2 40 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 575, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 353, 354, 355,
&end
#
# 84 GLU HN 84 GLU HG2 5.37
&rst
ixpk= 0, nxpk= 0, iat=1261,1268, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 83 ILE HN 83 ILE HG12 4.53
&rst
ixpk= 0, nxpk= 0, iat=1242,1252, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 83 ILE HN 83 ILE QD1 5.02
&rst
ixpk= 0, nxpk= 0, iat=1242, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=1255,1256,1257,
&end
#
# 82 TYR HB3 83 ILE HN 4.60
&rst
ixpk= 0, nxpk= 0, iat=1226,1242, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 83 ILE HN 83 ILE HG13 5.20
&rst
ixpk= 0, nxpk= 0, iat=1242,1253, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 15 LEU HN 57 ALA HN 4.51
&rst
ixpk= 0, nxpk= 0, iat= 203, 829, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 14 LYS HB2 15 LEU HN 4.12
&rst
ixpk= 0, nxpk= 0, iat= 185, 203, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 44 HIS HN 58 PHE HN 4.04
&rst
ixpk= 0, nxpk= 0, iat= 618, 839, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 14 LYS HA 15 LEU HN 3.30
&rst
ixpk= 0, nxpk= 0, iat= 183, 203, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 43 VAL HA 44 HIS HN 3.26
&rst
ixpk= 0, nxpk= 0, iat= 604, 618, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 44 HIS HN 44 HIS HB2 4.02
&rst
ixpk= 0, nxpk= 0, iat= 618, 622, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 44 HIS HN 44 HIS HB3 4.18
&rst
ixpk= 0, nxpk= 0, iat= 618, 623, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 43 VAL HB 44 HIS HN 4.62
&rst
ixpk= 0, nxpk= 0, iat= 606, 618, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 44 HIS HN 59 VAL QG2 3.78
&rst
ixpk= 0, nxpk= 0, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 869, 870, 871,
&end
#
# 43 VAL QG2 44 HIS HN 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 618, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 612, 613, 614,
&end
#
# 15 LEU HN 16 ARG HA 5.37
&rst
ixpk= 0, nxpk= 0, iat= 203, 224, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 44 HIS HN 45 PHE HN 5.40
&rst
ixpk= 0, nxpk= 0, iat= 618, 635, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 60 GLU HA 61 LEU HN 3.35
&rst
ixpk= 0, nxpk= 0, iat= 877, 890, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 11 PHE HB2 61 LEU HN 4.64
&rst
ixpk= 0, nxpk= 0, iat= 133, 890, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 60 GLU HB3 61 LEU HN 4.49
&rst
ixpk= 0, nxpk= 0, iat= 880, 890, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 61 LEU HN 61 LEU HG 3.80
&rst
ixpk= 0, nxpk= 0, iat= 890, 897, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 61 LEU HN 61 LEU HB3 4.08
&rst
ixpk= 0, nxpk= 0, iat= 890, 895, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 61 LEU HN 61 LEU QD1 3.92
&rst
ixpk= 0, nxpk= 0, iat= 890, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 899, 900, 901,
&end
#
# 45 PHE HN 45 PHE HD 4.31
&rst
ixpk= 0, nxpk= 0, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 643, 651,
&end
#
# 44 HIS HB2 45 PHE HN 4.57
&rst
ixpk= 0, nxpk= 0, iat= 622, 635, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 45 PHE HN 97 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1497,1498,1499,
&end
#
# 11 PHE HD 12 VAL HN 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 137, 145,
&end
#
# 11 PHE HB2 12 VAL HN 4.53
&rst
ixpk= 0, nxpk= 0, iat= 133, 149, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 12 VAL HN 67 VAL QG1 4.56
&rst
ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 972, 973, 974,
&end
#
# 89 HIS HB2 90 ARG HN 4.70
&rst
ixpk= 0, nxpk= 0, iat=1349,1362, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 12 VAL HN 12 VAL HB 3.69
&rst
ixpk= 0, nxpk= 0, iat= 149, 153, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 87 LYS HN 88 SER HN 4.60
&rst
ixpk= 0, nxpk= 0, iat=1312,1334, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 86 PHE HB2 87 LYS HN 3.78
&rst
ixpk= 0, nxpk= 0, iat=1296,1312, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 87 LYS HN 87 LYS HB3 3.34
&rst
ixpk= 0, nxpk= 0, iat=1312,1317, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 71 LEU QD2 87 LYS HN 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1,1312, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1044,1045,1046,
&end
#
# 88 SER HB3 90 ARG HN 5.11
&rst
ixpk= 0, nxpk= 0, iat=1339,1362, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 12 VAL HB 90 ARG HN 5.16
&rst
ixpk= 0, nxpk= 0, iat= 153,1362, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 69 MET HN 70 ALA HN 3.44
&rst
ixpk= 0, nxpk= 0, iat=1004,1021, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 70 ALA HN 72 LYS HN 4.45
&rst
ixpk= 0, nxpk= 0, iat=1021,1050, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 67 VAL HA 70 ALA HN 4.17
&rst
ixpk= 0, nxpk= 0, iat= 968,1021, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 69 MET HB2 70 ALA HN 3.68
&rst
ixpk= 0, nxpk= 0, iat=1008,1021, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 69 MET HB3 70 ALA HN 3.70
&rst
ixpk= 0, nxpk= 0, iat=1009,1021, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 13 VAL QG1 70 ALA HN 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1,1021, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 171, 172, 173,
&end
#
# 86 PHE HD 87 LYS HN 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1312, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1300,1308,
&end
#
# 78 MET HN 83 ILE HN 5.13
&rst
ixpk= 0, nxpk= 0, iat=1156,1242, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 78 MET HN 78 MET HG3 4.94
&rst
ixpk= 0, nxpk= 0, iat=1156,1164, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 77 SER HA 78 MET HN 3.27
&rst
ixpk= 0, nxpk= 0, iat=1147,1156, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 77 SER QB 78 MET HN 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1156, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1=1149,1150,
&end
#
# 78 MET HN 78 MET HG2 4.96
&rst
ixpk= 0, nxpk= 0, iat=1156,1163, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 78 MET HN 83 ILE HG12 5.47
&rst
ixpk= 0, nxpk= 0, iat=1156,1252, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 91 THR HN 92 GLU HN 4.27
&rst
ixpk= 0, nxpk= 0, iat=1386,1400, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 89 HIS HB2 92 GLU HN 5.04
&rst
ixpk= 0, nxpk= 0, iat=1349,1400, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 92 GLU HN 92 GLU HG3 4.37
&rst
ixpk= 0, nxpk= 0, iat=1400,1408, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 92 GLU HN 92 GLU HB3 3.60
&rst
ixpk= 0, nxpk= 0, iat=1400,1405, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 14 LYS HN 88 SER HN 4.37
&rst
ixpk= 0, nxpk= 0, iat= 181,1334, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 14 LYS HN 86 PHE HD 4.89
&rst
ixpk= 0, nxpk= 0, iat= 181, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1300,1308,
&end
#
# 13 VAL HA 14 LYS HN 3.52
&rst
ixpk= 0, nxpk= 0, iat= 167, 181, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 14 LYS HN 87 LYS HA 4.35
&rst
ixpk= 0, nxpk= 0, iat= 181,1314, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 14 LYS HN 88 SER HB2 4.68
&rst
ixpk= 0, nxpk= 0, iat= 181,1338, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 13 VAL HB 14 LYS HN 3.61
&rst
ixpk= 0, nxpk= 0, iat= 169, 181, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 14 LYS HN 14 LYS HB2 4.17
&rst
ixpk= 0, nxpk= 0, iat= 181, 185, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 14 LYS HN 14 LYS HB3 4.17
&rst
ixpk= 0, nxpk= 0, iat= 181, 186, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 14 LYS HN 14 LYS HG2 3.86
&rst
ixpk= 0, nxpk= 0, iat= 181, 188, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 14 LYS HN 85 VAL QG1 3.99
&rst
ixpk= 0, nxpk= 0, iat= 181, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1282,1283,1284,
&end
#
# 53 GLN HN 53 GLN HB3 3.89
&rst
ixpk= 0, nxpk= 0, iat= 779, 784, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 52 ARG HB2 53 GLN HN 4.36
&rst
ixpk= 0, nxpk= 0, iat= 759, 779, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 78 MET HN 79 GLY HA2 5.43
&rst
ixpk= 0, nxpk= 0, iat=1156,1175, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 29 ASN HN 30 PHE HN 3.89
&rst
ixpk= 0, nxpk= 0, iat= 419, 433, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 30 PHE HN 31 LEU HN 3.78
&rst
ixpk= 0, nxpk= 0, iat= 433, 453, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 30 PHE HN 30 PHE HB2 3.34
&rst
ixpk= 0, nxpk= 0, iat= 433, 437, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 30 PHE HN 30 PHE HB3 3.52
&rst
ixpk= 0, nxpk= 0, iat= 433, 438, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 29 ASN HB3 30 PHE HN 3.60
&rst
ixpk= 0, nxpk= 0, iat= 424, 433, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 14 LYS HB3 86 PHE HN 5.24
&rst
ixpk= 0, nxpk= 0, iat= 186,1292, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 13 VAL HB 86 PHE HN 5.11
&rst
ixpk= 0, nxpk= 0, iat= 169,1292, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 74 ASP HA 85 VAL HN 4.38
&rst
ixpk= 0, nxpk= 0, iat=1096,1276, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 86 PHE HN 86 PHE HD 4.99
&rst
ixpk= 0, nxpk= 0, iat=1292, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1300,1308,
&end
#
# 13 VAL HA 86 PHE HN 4.71
&rst
ixpk= 0, nxpk= 0, iat= 167,1292, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 14 LYS HB2 86 PHE HN 4.42
&rst
ixpk= 0, nxpk= 0, iat= 185,1292, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 85 VAL QG1 86 PHE HN 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1292, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1=1282,1283,1284,
&end
#
# 74 ASP HB2 85 VAL HN 5.37
&rst
ixpk= 0, nxpk= 0, iat=1098,1276, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 35 THR HN 63 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 506, 916, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 THR HN 36 ILE QG1 4.92
&rst
ixpk= 0, nxpk= 0, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 530, 531,
&end
#
# 35 THR HN 36 ILE HN 4.48
&rst
ixpk= 0, nxpk= 0, iat= 506, 520, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 34 CYS HA 35 THR HN 3.06
&rst
ixpk= 0, nxpk= 0, iat= 497, 506, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 35 THR HN 35 THR HB 3.18
&rst
ixpk= 0, nxpk= 0, iat= 506, 510, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 35 THR HN 61 LEU QD2 4.68
&rst
ixpk= 0, nxpk= 0, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 903, 904, 905,
&end
#
# 13 VAL HA 88 SER HN 3.56
&rst
ixpk= 0, nxpk= 0, iat= 167,1334, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 87 LYS HA 88 SER HN 3.15
&rst
ixpk= 0, nxpk= 0, iat=1314,1334, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 88 SER HN 88 SER HB3 3.94
&rst
ixpk= 0, nxpk= 0, iat=1334,1339, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 11 PHE HN 12 VAL HB 5.39
&rst
ixpk= 0, nxpk= 0, iat= 129, 153, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 11 PHE HN 61 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 129, 890, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 PHE HN 12 VAL HN 4.51
&rst
ixpk= 0, nxpk= 0, iat= 129, 149, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 10 GLY HN 11 PHE HN 4.26
&rst
ixpk= 0, nxpk= 0, iat= 122, 129, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 11 PHE HN 11 PHE HE 4.49
&rst
ixpk= 0, nxpk= 0, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 139, 143,
&end
#
# 11 PHE HN 11 PHE HD 3.82
&rst
ixpk= 0, nxpk= 0, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 137, 145,
&end
#
# 10 GLY HA2 11 PHE HN 3.30
&rst
ixpk= 0, nxpk= 0, iat= 124, 129, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 10 GLY HA3 11 PHE HN 3.29
&rst
ixpk= 0, nxpk= 0, iat= 125, 129, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 11 PHE HN 11 PHE HB2 3.83
&rst
ixpk= 0, nxpk= 0, iat= 129, 133, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 11 PHE HN 11 PHE HB3 4.07
&rst
ixpk= 0, nxpk= 0, iat= 129, 134, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 11 PHE HN 12 VAL QG2 4.45
&rst
ixpk= 0, nxpk= 0, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 159, 160, 161,
&end
#
# 11 PHE HD 64 GLU HN 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 927, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 137, 145,
&end
#
# 15 LEU HN 59 VAL HN 4.93
&rst
ixpk= 0, nxpk= 0, iat= 203, 859, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 58 PHE HD 59 VAL HN 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 847, 855,
&end
#
# 58 PHE HA 59 VAL HN 3.39
&rst
ixpk= 0, nxpk= 0, iat= 841, 859, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 58 PHE HB2 59 VAL HN 4.42
&rst
ixpk= 0, nxpk= 0, iat= 843, 859, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 59 VAL HN 59 VAL HB 3.76
&rst
ixpk= 0, nxpk= 0, iat= 859, 863, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 59 VAL HN 59 VAL QG2 3.61
&rst
ixpk= 0, nxpk= 0, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 869, 870, 871,
&end
#
# 11 PHE HE 64 GLU HN 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 927, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 139, 143,
&end
#
# 63 SER HA 64 GLU HN 2.94
&rst
ixpk= 0, nxpk= 0, iat= 918, 927, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 64 GLU HN 64 GLU QG 4.43
&rst
ixpk= 0, nxpk= 0, iat= 927, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 934, 935,
&end
#
# 38 ASP HN 39 GLY HA3 4.68
&rst
ixpk= 0, nxpk= 0, iat= 556, 571, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 38 ASP HN 38 ASP HB2 3.80
&rst
ixpk= 0, nxpk= 0, iat= 556, 560, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 37 HIS HB3 38 ASP HN 4.17
&rst
ixpk= 0, nxpk= 0, iat= 544, 556, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 38 ASP HN 42 GLY HN 5.24
&rst
ixpk= 0, nxpk= 0, iat= 556, 595, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 25 GLU HN 27 VAL HN 4.78
&rst
ixpk= 0, nxpk= 0, iat= 359, 386, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 27 VAL HN 28 GLN HN 3.64
&rst
ixpk= 0, nxpk= 0, iat= 386, 402, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 26 ASP HN 27 VAL HN 3.58
&rst
ixpk= 0, nxpk= 0, iat= 374, 386, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 24 VAL HA 27 VAL HN 4.03
&rst
ixpk= 0, nxpk= 0, iat= 345, 386, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 22 CYS HN 22 CYS HB2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 321, 325, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 27 VAL HN 27 VAL HB 3.30
&rst
ixpk= 0, nxpk= 0, iat= 386, 390, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 27 VAL HN 27 VAL QG1 3.54
&rst
ixpk= 0, nxpk= 0, iat= 386, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 392, 393, 394,
&end
#
# 27 VAL HN 27 VAL QG2 3.85
&rst
ixpk= 0, nxpk= 0, iat= 386, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 396, 397, 398,
&end
#
# 27 VAL HN 43 VAL QG2 4.76
&rst
ixpk= 0, nxpk= 0, iat= 386, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 612, 613, 614,
&end
#
# 24 VAL HN 25 GLU HN 3.73
&rst
ixpk= 0, nxpk= 0, iat= 343, 359, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 25 GLU HN 26 ASP HN 3.69
&rst
ixpk= 0, nxpk= 0, iat= 359, 374, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 23 SER HA 25 GLU HN 4.38
&rst
ixpk= 0, nxpk= 0, iat= 334, 359, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 23 SER HB2 25 GLU HN 3.75
&rst
ixpk= 0, nxpk= 0, iat= 336, 359, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 23 SER HB3 25 GLU HN 4.28
&rst
ixpk= 0, nxpk= 0, iat= 337, 359, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 24 VAL QG1 25 GLU HN 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 349, 350, 351,
&end
#
# 22 CYS HN 22 CYS HB3 3.52
&rst
ixpk= 0, nxpk= 0, iat= 321, 326, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 22 CYS HB3 23 SER HN 3.81
&rst
ixpk= 0, nxpk= 0, iat= 326, 332, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 24 VAL HN 43 VAL QG2 5.36
&rst
ixpk= 0, nxpk= 0, iat= 343, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2= 612, 613, 614,
&end
#
# 22 CYS HB2 23 SER HN 4.11
&rst
ixpk= 0, nxpk= 0, iat= 325, 332, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 22 CYS HN 23 SER HN 4.57
&rst
ixpk= 0, nxpk= 0, iat= 321, 332, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 23 SER HA 24 VAL HN 3.27
&rst
ixpk= 0, nxpk= 0, iat= 334, 343, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 23 SER HB2 24 VAL HN 3.57
&rst
ixpk= 0, nxpk= 0, iat= 336, 343, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 23 SER HB3 24 VAL HN 3.70
&rst
ixpk= 0, nxpk= 0, iat= 337, 343, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 9 GLU HN 89 HIS HA 3.39
&rst
ixpk= 0, nxpk= 0, iat= 107,1347, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 67 VAL HN 68 LYS HA 5.17
&rst
ixpk= 0, nxpk= 0, iat= 966, 984, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 64 GLU HA 67 VAL HN 3.92
&rst
ixpk= 0, nxpk= 0, iat= 929, 966, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 66 ASP HB2 67 VAL HN 4.27
&rst
ixpk= 0, nxpk= 0, iat= 958, 966, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 67 VAL HN 67 VAL HB 3.32
&rst
ixpk= 0, nxpk= 0, iat= 966, 970, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 67 VAL HN 68 LYS QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 992, 993,
&end
#
# 61 LEU QD1 67 VAL HN 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 966, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 899, 900, 901,
&end
#
# 9 GLU HN 9 GLU HG3 4.30
&rst
ixpk= 0, nxpk= 0, iat= 107, 115, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 9 GLU HN 9 GLU HB3 4.02
&rst
ixpk= 0, nxpk= 0, iat= 107, 112, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 75 ARG HN 85 VAL HN 4.90
&rst
ixpk= 0, nxpk= 0, iat=1106,1276, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 75 ARG HN 84 GLU HA 5.21
&rst
ixpk= 0, nxpk= 0, iat=1106,1263, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 75 ARG HN 75 ARG HG3 5.23
&rst
ixpk= 0, nxpk= 0, iat=1106,1114, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 95 TRP HE3 96 VAL HN 4.84
&rst
ixpk= 0, nxpk= 0, iat=1463,1468, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 92 GLU HA 96 VAL HN 4.50
&rst
ixpk= 0, nxpk= 0, iat=1402,1468, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 95 TRP HB3 96 VAL HN 3.92
&rst
ixpk= 0, nxpk= 0, iat=1449,1468, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 96 VAL HN 96 VAL HB 3.69
&rst
ixpk= 0, nxpk= 0, iat=1468,1472, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 96 VAL HN 96 VAL QG2 4.52
&rst
ixpk= 0, nxpk= 0, iat=1468, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1478,1479,1480,
&end
#
# 16 ARG HN 84 GLU HN 4.46
&rst
ixpk= 0, nxpk= 0, iat= 222,1261, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 15 LEU HB2 16 ARG HN 4.29
&rst
ixpk= 0, nxpk= 0, iat= 207, 222, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 15 LEU QD1 16 ARG HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 212, 213, 214,
&end
#
# 16 ARG HN 83 ILE QG2 4.96
&rst
ixpk= 0, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=1248,1249,1250,
&end
#
# 18 LEU HN 18 LEU HG 4.03
&rst
ixpk= 0, nxpk= 0, iat= 253, 260, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 46 ILE HN 57 ALA HA 4.72
&rst
ixpk= 0, nxpk= 0, iat= 655, 831, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 18 LEU HN 18 LEU QD1 4.56
&rst
ixpk= 0, nxpk= 0, iat= 253, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 262, 263, 264,
&end
#
# 46 ILE QD1 57 ALA HN 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 829, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 668, 669, 670,
&end
#
# 56 GLU QB 57 ALA HN 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 829, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 818, 819,
&end
#
# 24 VAL HN 26 ASP HN 4.90
&rst
ixpk= 0, nxpk= 0, iat= 343, 374, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 24 VAL QG2 26 ASP HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 353, 354, 355,
&end
#
# 81 ARG HN 82 TYR HN 4.60
&rst
ixpk= 0, nxpk= 0, iat=1197,1221, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 81 ARG HN 81 ARG HB2 3.61
&rst
ixpk= 0, nxpk= 0, iat=1197,1201, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 81 ARG HN 81 ARG HB3 3.78
&rst
ixpk= 0, nxpk= 0, iat=1197,1202, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 81 ARG HN 83 ILE QD1 5.21
&rst
ixpk= 0, nxpk= 0, iat=1197, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2=1255,1256,1257,
&end
#
# 75 ARG HN 76 GLU HN 3.92
&rst
ixpk= 0, nxpk= 0, iat=1106,1130, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 58 PHE HE 97 LEU HN 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1484, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 849, 853,
&end
#
# 30 PHE HE 76 GLU HN 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1130, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 443, 447,
&end
#
# 74 ASP HA 76 GLU HN 4.51
&rst
ixpk= 0, nxpk= 0, iat=1096,1130, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 76 GLU HN 76 GLU QB 3.23
&rst
ixpk= 0, nxpk= 0, iat=1130, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2=1134,1135,
&end
#
# 75 ARG HG3 76 GLU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1114,1130, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 SER HN 26 ASP HN 4.15
&rst
ixpk= 0, nxpk= 0, iat= 332, 374, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 24 VAL HA 26 ASP HN 4.55
&rst
ixpk= 0, nxpk= 0, iat= 345, 374, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 26 ASP HN 26 ASP HB2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 374, 378, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 26 ASP HN 27 VAL QG1 4.72
&rst
ixpk= 0, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 392, 393, 394,
&end
#
# 26 ASP HN 26 ASP HB3 3.62
&rst
ixpk= 0, nxpk= 0, iat= 374, 379, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 25 GLU HG3 26 ASP HN 4.62
&rst
ixpk= 0, nxpk= 0, iat= 367, 374, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 25 GLU HB2 26 ASP HN 3.95
&rst
ixpk= 0, nxpk= 0, iat= 363, 374, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 46 ILE HN 46 ILE HG13 5.16
&rst
ixpk= 0, nxpk= 0, iat= 655, 666, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 91 THR QG2 95 TRP HN 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1444, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1=1392,1393,1394,
&end
#
# 96 VAL QG2 97 LEU HN 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1484, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1478,1479,1480,
&end
#
# 64 GLU HN 65 ASP HN 3.85
&rst
ixpk= 0, nxpk= 0, iat= 927, 942, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 65 ASP HN 66 ASP HN 3.63
&rst
ixpk= 0, nxpk= 0, iat= 942, 954, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 65 ASP HN 67 VAL HN 4.32
&rst
ixpk= 0, nxpk= 0, iat= 942, 966, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 63 SER HB3 65 ASP HN 3.55
&rst
ixpk= 0, nxpk= 0, iat= 921, 942, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 65 ASP HN 65 ASP HB3 3.40
&rst
ixpk= 0, nxpk= 0, iat= 942, 947, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 64 GLU HB2 65 ASP HN 4.08
&rst
ixpk= 0, nxpk= 0, iat= 931, 942, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 64 GLU HB3 65 ASP HN 3.79
&rst
ixpk= 0, nxpk= 0, iat= 932, 942, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 95 TRP HN 96 VAL HN 3.76
&rst
ixpk= 0, nxpk= 0, iat=1444,1468, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 94 ASP HN 95 TRP HN 3.49
&rst
ixpk= 0, nxpk= 0, iat=1432,1444, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 92 GLU HA 95 TRP HN 3.92
&rst
ixpk= 0, nxpk= 0, iat=1402,1444, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 95 TRP HN 95 TRP HB3 3.08
&rst
ixpk= 0, nxpk= 0, iat=1444,1449, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 95 TRP HN 96 VAL HB 5.31
&rst
ixpk= 0, nxpk= 0, iat=1444,1472, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 95 TRP HN 97 LEU HB2 4.84
&rst
ixpk= 0, nxpk= 0, iat=1444,1488, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 95 TRP HN 96 VAL QG1 4.62
&rst
ixpk= 0, nxpk= 0, iat=1444, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2=1474,1475,1476,
&end
#
# 96 VAL HN 97 LEU HN 4.14
&rst
ixpk= 0, nxpk= 0, iat=1468,1484, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 97 LEU HN 97 LEU HB2 3.33
&rst
ixpk= 0, nxpk= 0, iat=1484,1488, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 97 LEU HN 97 LEU QD1 4.53
&rst
ixpk= 0, nxpk= 0, iat=1484, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1493,1494,1495,
&end
#
# 43 VAL HN 43 VAL HB 3.20
&rst
ixpk= 0, nxpk= 0, iat= 602, 606, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 43 VAL HN 43 VAL QG2 4.09
&rst
ixpk= 0, nxpk= 0, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 612, 613, 614,
&end
#
# 43 VAL HN 44 HIS HN 4.87
&rst
ixpk= 0, nxpk= 0, iat= 602, 618, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 40 ALA HA 43 VAL HN 4.38
&rst
ixpk= 0, nxpk= 0, iat= 577, 602, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 41 ALA HN 43 VAL HN 4.66
&rst
ixpk= 0, nxpk= 0, iat= 585, 602, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 41 ALA QB 43 VAL HN 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 589, 590, 591,
&end
#
# 36 ILE QG2 43 VAL HN 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 526, 527, 528,
&end
#
# 88 SER HB2 89 HIS HN 4.16
&rst
ixpk= 0, nxpk= 0, iat=1338,1345, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 88 SER HB3 89 HIS HN 3.76
&rst
ixpk= 0, nxpk= 0, iat=1339,1345, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 89 HIS HN 93 MET HB2 4.62
&rst
ixpk= 0, nxpk= 0, iat=1345,1419, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 12 VAL QG2 89 HIS HN 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1,1345, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 159, 160, 161,
&end
#
# 89 HIS HN 90 ARG HN 4.88
&rst
ixpk= 0, nxpk= 0, iat=1345,1362, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 88 SER HN 89 HIS HN 4.68
&rst
ixpk= 0, nxpk= 0, iat=1334,1345, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 89 HIS HN 92 GLU HN 4.76
&rst
ixpk= 0, nxpk= 0, iat=1345,1400, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 12 VAL HB 89 HIS HN 4.40
&rst
ixpk= 0, nxpk= 0, iat= 153,1345, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 55 GLY HN 56 GLU HN 4.16
&rst
ixpk= 0, nxpk= 0, iat= 807, 814, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 56 GLU HN 56 GLU HG2 5.25
&rst
ixpk= 0, nxpk= 0, iat= 814, 821, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 56 GLU HN 56 GLU QB 3.84
&rst
ixpk= 0, nxpk= 0, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 818, 819,
&end
#
# 46 ILE QD1 56 GLU HN 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 814, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 668, 669, 670,
&end
#
# 26 ASP HA 28 GLN HN 5.13
&rst
ixpk= 0, nxpk= 0, iat= 376, 402, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 28 GLN HN 29 ASN HB3 4.75
&rst
ixpk= 0, nxpk= 0, iat= 402, 424, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 28 GLN HN 28 GLN HNE1 5.08
&rst
ixpk= 0, nxpk= 0, iat= 402, 414, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 28 GLN HN 28 GLN HG2 3.66
&rst
ixpk= 0, nxpk= 0, iat= 402, 409, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 28 GLN HN 28 GLN HB2 3.52
&rst
ixpk= 0, nxpk= 0, iat= 402, 406, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 28 GLN HN 28 GLN HG3 3.53
&rst
ixpk= 0, nxpk= 0, iat= 402, 410, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 27 VAL QG1 28 GLN HN 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 392, 393, 394,
&end
#
# 28 GLN HN 43 VAL QG2 5.25
&rst
ixpk= 0, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 612, 613, 614,
&end
#
# 56 GLU HN 57 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 833, 834, 835,
&end
#
# 33 ASP HN 69 MET QE 5.29
&rst
ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2=1015,1016,1017,
&end
#
# 64 GLU HA 66 ASP HN 4.54
&rst
ixpk= 0, nxpk= 0, iat= 929, 954, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 61 LEU HB2 66 ASP HN 4.74
&rst
ixpk= 0, nxpk= 0, iat= 894, 954, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 93 MET HN 96 VAL HN 5.19
&rst
ixpk= 0, nxpk= 0, iat=1415,1468, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 63 SER HB3 66 ASP HN 4.09
&rst
ixpk= 0, nxpk= 0, iat= 921, 954, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 66 ASP HN 66 ASP HB2 3.75
&rst
ixpk= 0, nxpk= 0, iat= 954, 958, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 66 ASP HN 66 ASP HB3 3.42
&rst
ixpk= 0, nxpk= 0, iat= 954, 959, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 65 ASP HB3 66 ASP HN 3.76
&rst
ixpk= 0, nxpk= 0, iat= 947, 954, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 66 ASP HN 67 VAL HN 3.71
&rst
ixpk= 0, nxpk= 0, iat= 954, 966, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 66 ASP HN 67 VAL QG1 4.92
&rst
ixpk= 0, nxpk= 0, iat= 954, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2= 972, 973, 974,
&end
#
# 90 ARG HN 93 MET HN 5.13
&rst
ixpk= 0, nxpk= 0, iat=1362,1415, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 92 GLU HN 93 MET HN 4.49
&rst
ixpk= 0, nxpk= 0, iat=1400,1415, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 93 MET HN 93 MET HB2 3.72
&rst
ixpk= 0, nxpk= 0, iat=1415,1419, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 93 MET HN 93 MET HB3 3.81
&rst
ixpk= 0, nxpk= 0, iat=1415,1420, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 71 LEU HN 72 LYS HN 3.64
&rst
ixpk= 0, nxpk= 0, iat=1031,1050, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 72 LYS HN 73 LYS HN 3.61
&rst
ixpk= 0, nxpk= 0, iat=1050,1072, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 72 LYS HN 72 LYS QB 3.01
&rst
ixpk= 0, nxpk= 0, iat=1050, -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
igr2=1054,1055,
&end
#
# 72 LYS HN 72 LYS QD 3.50
&rst
ixpk= 0, nxpk= 0, iat=1050, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1060,1061,
&end
#
# 50 GLU HN 52 ARG HN 5.40
&rst
ixpk= 0, nxpk= 0, iat= 733, 755, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 48 THR HN 52 ARG HN 4.09
&rst
ixpk= 0, nxpk= 0, iat= 695, 755, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 52 ARG HN 52 ARG HB2 4.02
&rst
ixpk= 0, nxpk= 0, iat= 755, 759, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 52 ARG HN 52 ARG HB3 3.90
&rst
ixpk= 0, nxpk= 0, iat= 755, 760, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 52 ARG HN 52 ARG QG 4.06
&rst
ixpk= 0, nxpk= 0, iat= 755, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 762, 763,
&end
#
# 30 PHE HB2 31 LEU HN 4.04
&rst
ixpk= 0, nxpk= 0, iat= 437, 453, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 28 GLN HA 31 LEU HN 4.73
&rst
ixpk= 0, nxpk= 0, iat= 404, 453, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 30 PHE HB3 31 LEU HN 4.21
&rst
ixpk= 0, nxpk= 0, iat= 438, 453, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 31 LEU HN 31 LEU QD2 3.88
&rst
ixpk= 0, nxpk= 0, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 466, 467, 468,
&end
#
# 89 HIS HN 93 MET HN 4.67
&rst
ixpk= 0, nxpk= 0, iat=1345,1415, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 47 TYR HA 52 ARG HN 4.71
&rst
ixpk= 0, nxpk= 0, iat= 676, 755, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 47 TYR QB 52 ARG HN 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 755, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 678, 679,
&end
#
# 48 THR QG2 52 ARG HN 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 755, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 701, 702, 703,
&end
#
# 30 PHE HD 31 LEU HN 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 453, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 441, 449,
&end
#
# 31 LEU HN 31 LEU HB3 4.13
&rst
ixpk= 0, nxpk= 0, iat= 453, 458, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 73 LYS HN 74 ASP HB3 4.75
&rst
ixpk= 0, nxpk= 0, iat=1072,1099, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 31 LEU HN 32 SER HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 453, 474, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 LYS HN 74 ASP HA 5.05
&rst
ixpk= 0, nxpk= 0, iat=1072,1096, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 71 LEU HA 73 LYS HN 4.00
&rst
ixpk= 0, nxpk= 0, iat=1033,1072, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 72 LYS QB 73 LYS HN 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1,1072, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1=1054,1055,
&end
#
# 73 LYS HN 73 LYS QB 3.28
&rst
ixpk= 0, nxpk= 0, iat=1072, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2=1076,1077,
&end
#
# 74 ASP HN 75 ARG HN 4.34
&rst
ixpk= 0, nxpk= 0, iat=1094,1106, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 73 LYS HN 74 ASP HN 3.45
&rst
ixpk= 0, nxpk= 0, iat=1072,1094, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 72 LYS HN 74 ASP HN 4.93
&rst
ixpk= 0, nxpk= 0, iat=1050,1094, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 74 ASP HN 74 ASP HB3 3.16
&rst
ixpk= 0, nxpk= 0, iat=1094,1099, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 73 LYS QB 74 ASP HN 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1,1094, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1076,1077,
&end
#
# 74 ASP HN 85 VAL HB 4.07
&rst
ixpk= 0, nxpk= 0, iat=1094,1280, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 74 ASP HN 85 VAL QG2 4.19
&rst
ixpk= 0, nxpk= 0, iat=1094, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1286,1287,1288,
&end
#
# 46 ILE QD1 58 PHE HN 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 668, 669, 670,
&end
#
# 67 VAL QG2 69 MET HN 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1,1004, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 976, 977, 978,
&end
#
# 67 VAL HN 68 LYS HN 3.78
&rst
ixpk= 0, nxpk= 0, iat= 966, 982, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 67 VAL HB 68 LYS HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 970, 982, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 68 LYS HN 69 MET HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 982,1006, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 LYS HN 68 LYS HG2 3.52
&rst
ixpk= 0, nxpk= 0, iat= 982, 989, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 58 PHE HN 58 PHE HD 4.20
&rst
ixpk= 0, nxpk= 0, iat= 839, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 847, 855,
&end
#
# 57 ALA HA 58 PHE HN 3.44
&rst
ixpk= 0, nxpk= 0, iat= 831, 839, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 45 PHE HA 58 PHE HN 4.35
&rst
ixpk= 0, nxpk= 0, iat= 637, 839, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 43 VAL HA 58 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 604, 839, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 HIS HB2 58 PHE HN 4.34
&rst
ixpk= 0, nxpk= 0, iat= 622, 839, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 65 ASP HA 69 MET HN 4.72
&rst
ixpk= 0, nxpk= 0, iat= 944,1004, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 69 MET HN 69 MET QG 3.36
&rst
ixpk= 0, nxpk= 0, iat=1004, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1011,1012,
&end
#
# 69 MET HN 69 MET HB2 3.34
&rst
ixpk= 0, nxpk= 0, iat=1004,1008, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 69 MET HN 69 MET HB3 3.50
&rst
ixpk= 0, nxpk= 0, iat=1004,1009, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 68 LYS HG3 69 MET HN 4.70
&rst
ixpk= 0, nxpk= 0, iat= 990,1004, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 67 VAL QG1 69 MET HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1004, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 972, 973, 974,
&end
#
# 96 VAL HN 98 LYS HN 5.04
&rst
ixpk= 0, nxpk= 0, iat=1468,1503, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 97 LEU HN 98 LYS HN 3.67
&rst
ixpk= 0, nxpk= 0, iat=1484,1503, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 95 TRP HA 98 LYS HN 4.60
&rst
ixpk= 0, nxpk= 0, iat=1446,1503, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 96 VAL HA 98 LYS HN 4.84
&rst
ixpk= 0, nxpk= 0, iat=1470,1503, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 97 LEU HB2 98 LYS HN 3.74
&rst
ixpk= 0, nxpk= 0, iat=1488,1503, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 98 LYS HN 98 LYS HB2 3.27
&rst
ixpk= 0, nxpk= 0, iat=1503,1507, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 98 LYS HN 98 LYS HG2 3.99
&rst
ixpk= 0, nxpk= 0, iat=1503,1510, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 98 LYS HN 98 LYS HG3 4.04
&rst
ixpk= 0, nxpk= 0, iat=1503,1511, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 97 LEU QD1 98 LYS HN 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1,1503, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=1493,1494,1495,
&end
#
# 97 LEU QD2 98 LYS HN 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1503, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=1497,1498,1499,
&end
#
# 81 ARG HB3 82 TYR HN 4.83
&rst
ixpk= 0, nxpk= 0, iat=1202,1221, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 82 TYR HN 82 TYR HD 4.53
&rst
ixpk= 0, nxpk= 0, iat=1221, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1229,1238,
&end
#
# 81 ARG HB2 82 TYR HN 4.49
&rst
ixpk= 0, nxpk= 0, iat=1201,1221, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 34 CYS HN 35 THR HN 4.44
&rst
ixpk= 0, nxpk= 0, iat= 495, 506, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 32 SER HN 34 CYS HN 4.74
&rst
ixpk= 0, nxpk= 0, iat= 472, 495, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 80 HIS HN 80 HIS HD2 5.07
&rst
ixpk= 0, nxpk= 0, iat=1180,1193, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 94 ASP HN 96 VAL HN 5.15
&rst
ixpk= 0, nxpk= 0, iat=1432,1468, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 93 MET HN 94 ASP HN 4.09
&rst
ixpk= 0, nxpk= 0, iat=1415,1432, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 93 MET HB2 94 ASP HN 3.96
&rst
ixpk= 0, nxpk= 0, iat=1419,1432, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 93 MET HB3 94 ASP HN 4.10
&rst
ixpk= 0, nxpk= 0, iat=1420,1432, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 94 ASP HN 97 LEU QD2 5.49
&rst
ixpk= 0, nxpk= 0, iat=1432, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2=1497,1498,1499,
&end
#
# 69 MET HN 71 LEU HN 4.59
&rst
ixpk= 0, nxpk= 0, iat=1004,1031, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 71 LEU HN 73 LYS HN 4.93
&rst
ixpk= 0, nxpk= 0, iat=1031,1072, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 69 MET HA 71 LEU HN 4.49
&rst
ixpk= 0, nxpk= 0, iat=1006,1031, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 67 VAL HA 71 LEU HN 5.05
&rst
ixpk= 0, nxpk= 0, iat= 968,1031, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 71 LEU HN 71 LEU HB2 3.41
&rst
ixpk= 0, nxpk= 0, iat=1031,1035, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 71 LEU HN 72 LYS QD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1031, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1060,1061,
&end
#
# 70 ALA QB 71 LEU HN 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1031, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1025,1026,1027,
&end
#
# 81 ARG QG 82 TYR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1221, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1204,1205,
&end
#
# 33 ASP HN 34 CYS HN 3.77
&rst
ixpk= 0, nxpk= 0, iat= 483, 495, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 32 SER HA 34 CYS HN 4.19
&rst
ixpk= 0, nxpk= 0, iat= 474, 495, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 34 CYS HN 34 CYS HB2 3.45
&rst
ixpk= 0, nxpk= 0, iat= 495, 499, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 34 CYS HN 34 CYS HB3 3.56
&rst
ixpk= 0, nxpk= 0, iat= 495, 500, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 31 LEU HB2 34 CYS HN 4.74
&rst
ixpk= 0, nxpk= 0, iat= 457, 495, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 31 LEU HB3 34 CYS HN 4.48
&rst
ixpk= 0, nxpk= 0, iat= 458, 495, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 80 HIS HN 80 HIS HB2 3.92
&rst
ixpk= 0, nxpk= 0, iat=1180,1184, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 80 HIS HN 80 HIS HB3 3.86
&rst
ixpk= 0, nxpk= 0, iat=1180,1185, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 38 ASP HA 41 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 558, 585, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 ASP HB2 41 ALA HN 4.16
&rst
ixpk= 0, nxpk= 0, iat= 560, 585, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 40 ALA HN 41 ALA HN 3.60
&rst
ixpk= 0, nxpk= 0, iat= 575, 585, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 41 ALA HN 42 GLY HA2 4.95
&rst
ixpk= 0, nxpk= 0, iat= 585, 597, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 39 GLY HA3 41 ALA HN 4.34
&rst
ixpk= 0, nxpk= 0, iat= 571, 585, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 38 ASP HB3 41 ALA HN 4.37
&rst
ixpk= 0, nxpk= 0, iat= 561, 585, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 12 VAL HN 13 VAL HN 4.93
&rst
ixpk= 0, nxpk= 0, iat= 149, 165, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 12 VAL HA 13 VAL HN 3.22
&rst
ixpk= 0, nxpk= 0, iat= 151, 165, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 12 VAL HB 13 VAL HN 4.44
&rst
ixpk= 0, nxpk= 0, iat= 153, 165, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 13 VAL HN 13 VAL QG2 3.51
&rst
ixpk= 0, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 175, 176, 177,
&end
#
# 13 VAL HN 59 VAL HN 3.97
&rst
ixpk= 0, nxpk= 0, iat= 165, 859, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 13 VAL HN 60 GLU HA 4.49
&rst
ixpk= 0, nxpk= 0, iat= 165, 877, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 13 VAL HN 61 LEU HG 4.26
&rst
ixpk= 0, nxpk= 0, iat= 165, 897, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 13 VAL HN 61 LEU HN 4.58
&rst
ixpk= 0, nxpk= 0, iat= 165, 890, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 25 GLU HA 29 ASN HN 4.12
&rst
ixpk= 0, nxpk= 0, iat= 361, 419, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 29 ASN HN 30 PHE HB2 4.88
&rst
ixpk= 0, nxpk= 0, iat= 419, 437, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 29 ASN HN 30 PHE HB3 5.23
&rst
ixpk= 0, nxpk= 0, iat= 419, 438, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 29 ASN HN 29 ASN HB3 3.02
&rst
ixpk= 0, nxpk= 0, iat= 419, 424, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 28 GLN HG3 29 ASN HN 3.76
&rst
ixpk= 0, nxpk= 0, iat= 410, 419, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 27 VAL QG2 29 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 419, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 396, 397, 398,
&end
#
# 30 PHE HE 77 SER HN 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1145, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 443, 447,
&end
#
# 76 GLU QB 77 SER HN 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1145, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1134,1135,
&end
#
# 76 GLU HN 77 SER HN 4.64
&rst
ixpk= 0, nxpk= 0, iat=1130,1145, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 91 THR HN 92 GLU HB3 5.05
&rst
ixpk= 0, nxpk= 0, iat=1386,1405, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 78 MET HB2 79 GLY HN 4.91
&rst
ixpk= 0, nxpk= 0, iat=1160,1173, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 77 SER QB 79 GLY HN 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1149,1150,
&end
#
# 76 GLU HG3 77 SER HN 4.49
&rst
ixpk= 0, nxpk= 0, iat=1138,1145, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 100 SER HN 100 SER HB3 4.18
&rst
ixpk= 0, nxpk= 0, iat=1542,1547, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 50 GLU HN 50 GLU HG3 4.37
&rst
ixpk= 0, nxpk= 0, iat= 733, 741, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 17 GLY HN 18 LEU HN 4.52
&rst
ixpk= 0, nxpk= 0, iat= 246, 253, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 31 LEU HN 32 SER HN 4.02
&rst
ixpk= 0, nxpk= 0, iat= 453, 472, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 31 LEU HA 32 SER HN 3.25
&rst
ixpk= 0, nxpk= 0, iat= 455, 472, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 32 SER HN 32 SER HB3 3.41
&rst
ixpk= 0, nxpk= 0, iat= 472, 477, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 31 LEU HB2 32 SER HN 4.44
&rst
ixpk= 0, nxpk= 0, iat= 457, 472, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 32 SER HN 73 LYS HG3 5.37
&rst
ixpk= 0, nxpk= 0, iat= 472,1080, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 31 LEU QD1 32 SER HN 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 472, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 462, 463, 464,
&end
#
# 32 SER HN 33 ASP HN 4.39
&rst
ixpk= 0, nxpk= 0, iat= 472, 483, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 61 LEU HA 63 SER HN 4.68
&rst
ixpk= 0, nxpk= 0, iat= 892, 916, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 61 LEU HB2 63 SER HN 3.93
&rst
ixpk= 0, nxpk= 0, iat= 894, 916, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 63 SER HN 66 ASP HN 4.18
&rst
ixpk= 0, nxpk= 0, iat= 916, 954, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 63 SER HN 67 VAL HN 4.34
&rst
ixpk= 0, nxpk= 0, iat= 916, 966, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 35 THR HB 63 SER HN 5.43
&rst
ixpk= 0, nxpk= 0, iat= 510, 916, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 63 SER HN 66 ASP HB2 3.65
&rst
ixpk= 0, nxpk= 0, iat= 916, 958, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 63 SER HN 66 ASP HB3 3.76
&rst
ixpk= 0, nxpk= 0, iat= 916, 959, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 63 SER HN 67 VAL QG1 4.86
&rst
ixpk= 0, nxpk= 0, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 972, 973, 974,
&end
#
# 29 ASN HN 29 ASN HND1 4.91
&rst
ixpk= 0, nxpk= 0, iat= 419, 428, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 29 ASN HB3 29 ASN HND1 3.56
&rst
ixpk= 0, nxpk= 0, iat= 424, 428, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 26 ASP HA 29 ASN HND2 4.10
&rst
ixpk= 0, nxpk= 0, iat= 376, 429, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 29 ASN HB3 29 ASN HND2 3.61
&rst
ixpk= 0, nxpk= 0, iat= 424, 429, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 29 ASN HND2 78 MET HG2 4.68
&rst
ixpk= 0, nxpk= 0, iat= 429,1163, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 47 TYR HD 48 THR HN 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 695, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 682, 691,
&end
#
# 47 TYR HA 48 THR HN 3.56
&rst
ixpk= 0, nxpk= 0, iat= 676, 695, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 55 GLY HN 56 GLU HG2 5.36
&rst
ixpk= 0, nxpk= 0, iat= 807, 821, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 100 SER HA 101 GLY HN 3.13
&rst
ixpk= 0, nxpk= 0, iat=1544,1553, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 28 GLN HNE1 40 ALA HN 4.76
&rst
ixpk= 0, nxpk= 0, iat= 414, 575, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 25 GLU HA 28 GLN HNE1 5.20
&rst
ixpk= 0, nxpk= 0, iat= 361, 414, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 28 GLN HNE1 40 ALA HA 4.21
&rst
ixpk= 0, nxpk= 0, iat= 414, 577, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 28 GLN HB2 28 GLN HNE1 4.54
&rst
ixpk= 0, nxpk= 0, iat= 406, 414, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 28 GLN HNE1 40 ALA QB 4.91
&rst
ixpk= 0, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2= 579, 580, 581,
&end
#
# 24 VAL QG2 28 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 353, 354, 355,
&end
#
# 28 GLN HG3 28 GLN HNE2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 410, 415, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 25 GLU HA 28 GLN HNE2 4.98
&rst
ixpk= 0, nxpk= 0, iat= 361, 415, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 28 GLN HN 28 GLN HNE2 5.20
&rst
ixpk= 0, nxpk= 0, iat= 402, 415, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 28 GLN HNE2 40 ALA HA 4.39
&rst
ixpk= 0, nxpk= 0, iat= 415, 577, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 48 THR HN 51 GLY HN 4.61
&rst
ixpk= 0, nxpk= 0, iat= 695, 748, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 50 GLU HN 51 GLY HN 4.28
&rst
ixpk= 0, nxpk= 0, iat= 733, 748, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 51 GLY HN 52 ARG HN 3.55
&rst
ixpk= 0, nxpk= 0, iat= 748, 755, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 47 TYR QB 51 GLY HN 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 678, 679,
&end
#
# 50 GLU HG3 51 GLY HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 741, 748, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 50 GLU QB 51 GLY HN 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 737, 738,
&end
#
# 51 GLY HN 52 ARG HA 5.04
&rst
ixpk= 0, nxpk= 0, iat= 748, 757, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 9 GLU HN 10 GLY HN 3.83
&rst
ixpk= 0, nxpk= 0, iat= 107, 122, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 10 GLY HN 89 HIS HA 3.42
&rst
ixpk= 0, nxpk= 0, iat= 122,1347, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 9 GLU HA 10 GLY HN 3.36
&rst
ixpk= 0, nxpk= 0, iat= 109, 122, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 8 GLY QA 10 GLY HN 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 122, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 102, 103,
&end
#
# 9 GLU HB2 10 GLY HN 4.44
&rst
ixpk= 0, nxpk= 0, iat= 111, 122, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 9 GLU HB3 10 GLY HN 4.33
&rst
ixpk= 0, nxpk= 0, iat= 112, 122, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 40 ALA HN 42 GLY HN 4.70
&rst
ixpk= 0, nxpk= 0, iat= 575, 595, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 42 GLY HN 43 VAL HN 3.34
&rst
ixpk= 0, nxpk= 0, iat= 595, 602, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 41 ALA HA 42 GLY HN 3.09
&rst
ixpk= 0, nxpk= 0, iat= 587, 595, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 40 ALA HA 42 GLY HN 4.26
&rst
ixpk= 0, nxpk= 0, iat= 577, 595, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 38 ASP HB3 42 GLY HN 5.19
&rst
ixpk= 0, nxpk= 0, iat= 561, 595, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 42 GLY HN 43 VAL QG1 4.27
&rst
ixpk= 0, nxpk= 0, iat= 595, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 608, 609, 610,
&end
#
# 10 GLY HN 11 PHE HD 5.07
&rst
ixpk= 0, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 137, 145,
&end
#
# 41 ALA HN 42 GLY HN 3.37
&rst
ixpk= 0, nxpk= 0, iat= 585, 595, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 38 ASP HB2 42 GLY HN 4.49
&rst
ixpk= 0, nxpk= 0, iat= 560, 595, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 41 ALA QB 42 GLY HN 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 595, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 589, 590, 591,
&end
#
# 42 GLY HN 43 VAL QG2 5.02
&rst
ixpk= 0, nxpk= 0, iat= 595, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 612, 613, 614,
&end
#
# 39 GLY HN 42 GLY HN 5.20
&rst
ixpk= 0, nxpk= 0, iat= 568, 595, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 39 GLY HN 40 ALA HN 4.38
&rst
ixpk= 0, nxpk= 0, iat= 568, 575, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 38 ASP HN 39 GLY HN 3.52
&rst
ixpk= 0, nxpk= 0, iat= 556, 568, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 39 GLY HN 41 ALA QB 4.92
&rst
ixpk= 0, nxpk= 0, iat= 568, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2= 589, 590, 591,
&end
#
# 35 THR QG2 39 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 568, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 512, 513, 514,
&end
#
# 38 ASP HB2 39 GLY HN 4.41
&rst
ixpk= 0, nxpk= 0, iat= 560, 568, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 38 ASP HB3 39 GLY HN 4.40
&rst
ixpk= 0, nxpk= 0, iat= 561, 568, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 36 ILE HB 39 GLY HN 4.37
&rst
ixpk= 0, nxpk= 0, iat= 524, 568, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 37 HIS HN 62 GLY HN 4.70
&rst
ixpk= 0, nxpk= 0, iat= 539, 909, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 35 THR HB 62 GLY HN 3.85
&rst
ixpk= 0, nxpk= 0, iat= 510, 909, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 62 GLY HN 66 ASP HB3 4.97
&rst
ixpk= 0, nxpk= 0, iat= 909, 959, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 61 LEU HB2 62 GLY HN 3.67
&rst
ixpk= 0, nxpk= 0, iat= 894, 909, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 61 LEU HN 62 GLY HN 4.92
&rst
ixpk= 0, nxpk= 0, iat= 890, 909, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 44 HIS HE1 93 MET QE 5.06
&rst
ixpk= 0, nxpk= 0, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2=1426,1427,1428,
&end
#
# 44 HIS HE1 97 LEU QD1 4.96
&rst
ixpk= 0, nxpk= 0, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=1493,1494,1495,
&end
#
# 44 HIS HE1 97 LEU QD2 4.89
&rst
ixpk= 0, nxpk= 0, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=1497,1498,1499,
&end
#
# 89 HIS HE1 91 THR HB 3.25
&rst
ixpk= 0, nxpk= 0, iat=1355,1390, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 89 HIS HE1 92 GLU HG2 5.44
&rst
ixpk= 0, nxpk= 0, iat=1355,1407, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 89 HIS HE1 92 GLU HB2 4.18
&rst
ixpk= 0, nxpk= 0, iat=1355,1404, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 89 HIS HE1 92 GLU HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat=1355,1405, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 89 HIS HE1 91 THR QG2 3.68
&rst
ixpk= 0, nxpk= 0, iat=1355, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1392,1393,1394,
&end
#
# 89 HIS HE1 92 GLU HA 4.04
&rst
ixpk= 0, nxpk= 0, iat=1355,1402, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 95 TRP HB3 95 TRP HE3 3.56
&rst
ixpk= 0, nxpk= 0, iat=1449,1463, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 92 GLU HA 95 TRP HE3 4.96
&rst
ixpk= 0, nxpk= 0, iat=1402,1463, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 95 TRP HE3 96 VAL HA 3.78
&rst
ixpk= 0, nxpk= 0, iat=1463,1470, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 95 TRP HE3 96 VAL QG1 4.06
&rst
ixpk= 0, nxpk= 0, iat=1463, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1474,1475,1476,
&end
#
# 95 TRP HE3 96 VAL QG2 5.33
&rst
ixpk= 0, nxpk= 0, iat=1463, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2=1478,1479,1480,
&end
#
# 11 PHE HE 67 VAL QG1 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 139, 143,
igr2= 972, 973, 974,
&end
#
# 58 PHE HA 58 PHE HE 5.32
&rst
ixpk= 0, nxpk= 0, iat= 841, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 849, 853,
&end
#
# 58 PHE HE 96 VAL HB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1472, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 849, 853,
&end
#
# 58 PHE HE 96 VAL QG1 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 849, 853,
igr2=1474,1475,1476,
&end
#
# 58 PHE HE 96 VAL QG2 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 849, 853,
igr2=1478,1479,1480,
&end
#
# 46 ILE QD1 58 PHE HE 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 668, 669, 670,
igr2= 849, 853,
&end
#
# 58 PHE HE 97 LEU HA 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1486, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 849, 853,
&end
#
# 44 HIS HA 45 PHE HD 4.34
&rst
ixpk= 0, nxpk= 0, iat= 620, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 643, 651,
&end
#
# 45 PHE HA 45 PHE HD 3.49
&rst
ixpk= 0, nxpk= 0, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 643, 651,
&end
#
# 24 VAL QG1 45 PHE HD 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 349, 350, 351,
igr2= 643, 651,
&end
#
# 45 PHE HD 57 ALA QB 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 643, 651,
igr2= 833, 834, 835,
&end
#
# 43 VAL QG2 45 PHE HD 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 612, 613, 614,
igr2= 643, 651,
&end
#
# 58 PHE HZ 92 GLU HG2 4.28
&rst
ixpk= 0, nxpk= 0, iat= 851,1407, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 58 PHE HZ 96 VAL HB 3.75
&rst
ixpk= 0, nxpk= 0, iat= 851,1472, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 58 PHE HZ 96 VAL QG2 4.15
&rst
ixpk= 0, nxpk= 0, iat= 851, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=1478,1479,1480,
&end
#
# 58 PHE HZ 96 VAL QG1 3.72
&rst
ixpk= 0, nxpk= 0, iat= 851, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1474,1475,1476,
&end
#
# 95 TRP HA 95 TRP HD1 3.72
&rst
ixpk= 0, nxpk= 0, iat=1446,1452, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 11 PHE HD 64 GLU HB2 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 931, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 137, 145,
&end
#
# 11 PHE HD 67 VAL QG1 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 137, 145,
igr2= 972, 973, 974,
&end
#
# 29 ASN HND1 30 PHE HD 4.85
&rst
ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 441, 449,
&end
#
# 30 PHE HD 31 LEU HA 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 455, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 441, 449,
&end
#
# 24 VAL HA 45 PHE HE 4.07
&rst
ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2= 645, 649,
&end
#
# 95 TRP HZ3 96 VAL QG1 4.38
&rst
ixpk= 0, nxpk= 0, iat=1461, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1474,1475,1476,
&end
#
# 24 VAL QG2 28 GLN HNE1 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 414, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 353, 354, 355,
&end
#
# 58 PHE HD 97 LEU QD1 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 847, 855,
igr2=1493,1494,1495,
&end
#
# 45 PHE HE 57 ALA QB 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 645, 649,
igr2= 833, 834, 835,
&end
#
# 58 PHE HD 97 LEU QD2 3.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 847, 855,
igr2=1497,1498,1499,
&end
#
# 43 VAL QG2 45 PHE HE 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 612, 613, 614,
igr2= 645, 649,
&end
#
# 86 PHE HA 86 PHE HD 3.81
&rst
ixpk= 0, nxpk= 0, iat=1294, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=1300,1308,
&end
#
# 37 HIS HA 37 HIS HD2 3.79
&rst
ixpk= 0, nxpk= 0, iat= 541, 552, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 14 LYS HB2 86 PHE HD 4.70
&rst
ixpk= 0, nxpk= 0, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1300,1308,
&end
#
# 37 HIS HD2 41 ALA QB 4.84
&rst
ixpk= 0, nxpk= 0, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 589, 590, 591,
&end
#
# 44 HIS HD2 59 VAL HA 4.36
&rst
ixpk= 0, nxpk= 0, iat= 631, 861, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 44 HIS HD2 60 GLU HG3 4.47
&rst
ixpk= 0, nxpk= 0, iat= 631, 883, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 29 ASN HND2 78 MET QE 4.47
&rst
ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1167,1168,1169,
&end
#
# 44 HIS HD2 97 LEU QD2 4.44
&rst
ixpk= 0, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=1497,1498,1499,
&end
#
# 47 TYR HA 47 TYR HD 3.70
&rst
ixpk= 0, nxpk= 0, iat= 676, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 682, 691,
&end
#
# 47 TYR HD 53 GLN HA 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 781, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 682, 691,
&end
#
# 15 LEU QD2 30 PHE HE 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 216, 217, 218,
igr2= 443, 447,
&end
#
# 30 PHE HE 73 LYS HG3 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1080, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 443, 447,
&end
#
# 47 TYR HA 53 GLN HNE1 4.33
&rst
ixpk= 0, nxpk= 0, iat= 676, 791, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 53 GLN HA 53 GLN HNE1 4.48
&rst
ixpk= 0, nxpk= 0, iat= 781, 791, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 45 PHE HB2 47 TYR HE 4.20
&rst
ixpk= 0, nxpk= 0, iat= 639, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 684, 689,
&end
#
# 45 PHE HB3 47 TYR HE 5.11
&rst
ixpk= 0, nxpk= 0, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 684, 689,
&end
#
# 27 VAL HB 45 PHE HZ 4.79
&rst
ixpk= 0, nxpk= 0, iat= 390, 647, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 24 VAL QG1 45 PHE HZ 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 647, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 349, 350, 351,
&end
#
# 27 VAL QG1 45 PHE HZ 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 647, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 392, 393, 394,
&end
#
# 27 VAL QG2 45 PHE HZ 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 647, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 396, 397, 398,
&end
#
# 43 VAL QG2 45 PHE HZ 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 647, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 612, 613, 614,
&end
#
# 82 TYR HA 82 TYR HD 3.94
&rst
ixpk= 0, nxpk= 0, iat=1223, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1229,1238,
&end
#
# 75 ARG HA 82 TYR HD 3.62
&rst
ixpk= 0, nxpk= 0, iat=1108, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=1229,1238,
&end
#
# 75 ARG HB2 82 TYR HD 5.08
&rst
ixpk= 0, nxpk= 0, iat=1110, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1229,1238,
&end
#
# 75 ARG HB3 82 TYR HD 4.62
&rst
ixpk= 0, nxpk= 0, iat=1111, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1229,1238,
&end
#
# 80 HIS HA 80 HIS HD2 3.90
&rst
ixpk= 0, nxpk= 0, iat=1182,1193, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 82 TYR HA 82 TYR HE 5.38
&rst
ixpk= 0, nxpk= 0, iat=1223, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=1231,1236,
&end
#
# 75 ARG HA 82 TYR HE 4.38
&rst
ixpk= 0, nxpk= 0, iat=1108, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1231,1236,
&end
#
# 75 ARG HD2 82 TYR HE 5.12
&rst
ixpk= 0, nxpk= 0, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=1231,1236,
&end
#
# 75 ARG HD3 82 TYR HE 4.90
&rst
ixpk= 0, nxpk= 0, iat=1117, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1231,1236,
&end
#
# 82 TYR HE 84 GLU HG2 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1268, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1231,1236,
&end
#
# 82 TYR HE 84 GLU HG3 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1269, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1231,1236,
&end
#
# 75 ARG HG3 82 TYR HE 4.78
&rst
ixpk= 0, nxpk= 0, iat=1114, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1231,1236,
&end
#
# 56 GLU HA 56 GLU HG2 4.25
&rst
ixpk= 0, nxpk= 0, iat= 816, 821, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 56 GLU HA 56 GLU HG3 4.20
&rst
ixpk= 0, nxpk= 0, iat= 816, 822, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 46 ILE QD1 56 GLU HA 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 816, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 668, 669, 670,
&end
#
# 58 PHE HA 58 PHE HD 3.94
&rst
ixpk= 0, nxpk= 0, iat= 841, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 847, 855,
&end
#
# 36 ILE HA 61 LEU HA 3.47
&rst
ixpk= 0, nxpk= 0, iat= 522, 892, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 12 VAL HA 61 LEU HG 4.82
&rst
ixpk= 0, nxpk= 0, iat= 151, 897, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 13 VAL HA 87 LYS HA 3.75
&rst
ixpk= 0, nxpk= 0, iat= 167,1314, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 43 VAL HA 59 VAL HA 3.76
&rst
ixpk= 0, nxpk= 0, iat= 604, 861, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 23 SER HA 45 PHE HZ 4.19
&rst
ixpk= 0, nxpk= 0, iat= 334, 647, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 14 LYS HA 58 PHE HD 3.93
&rst
ixpk= 0, nxpk= 0, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 847, 855,
&end
#
# 44 HIS HA 44 HIS HD2 4.28
&rst
ixpk= 0, nxpk= 0, iat= 620, 631, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 44 HIS HA 97 LEU QD1 4.53
&rst
ixpk= 0, nxpk= 0, iat= 620, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1493,1494,1495,
&end
#
# 45 PHE HA 57 ALA HA 3.56
&rst
ixpk= 0, nxpk= 0, iat= 637, 831, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 46 ILE HG12 57 ALA HA 4.70
&rst
ixpk= 0, nxpk= 0, iat= 665, 831, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 16 ARG HA 56 GLU HA 4.08
&rst
ixpk= 0, nxpk= 0, iat= 224, 816, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 12 VAL HA 60 GLU HA 3.88
&rst
ixpk= 0, nxpk= 0, iat= 151, 877, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 11 PHE HA 11 PHE HD 3.29
&rst
ixpk= 0, nxpk= 0, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 137, 145,
&end
#
# 88 SER HA 89 HIS HD2 3.95
&rst
ixpk= 0, nxpk= 0, iat=1336,1358, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 12 VAL QG2 89 HIS HA 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1347, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 159, 160, 161,
&end
#
# 47 TYR HE 48 THR HA 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 697, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 684, 689,
&end
#
# 34 CYS HA 61 LEU QD2 4.44
&rst
ixpk= 0, nxpk= 0, iat= 497, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 903, 904, 905,
&end
#
# 82 TYR HA 83 ILE HA 4.15
&rst
ixpk= 0, nxpk= 0, iat=1223,1244, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 48 THR HA 48 THR QG2 3.33
&rst
ixpk= 0, nxpk= 0, iat= 697, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 701, 702, 703,
&end
#
# 52 ARG HA 52 ARG QG 3.59
&rst
ixpk= 0, nxpk= 0, iat= 757, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 762, 763,
&end
#
# 66 ASP HA 69 MET QE 3.80
&rst
ixpk= 0, nxpk= 0, iat= 956, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1015,1016,1017,
&end
#
# 61 LEU QD2 66 ASP HA 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 956, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 903, 904, 905,
&end
#
# 46 ILE HA 46 ILE HG13 3.87
&rst
ixpk= 0, nxpk= 0, iat= 657, 666, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 31 LEU HA 31 LEU QD1 3.21
&rst
ixpk= 0, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 462, 463, 464,
&end
#
# 46 ILE HA 46 ILE QD1 3.53
&rst
ixpk= 0, nxpk= 0, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 668, 669, 670,
&end
#
# 26 ASP HA 29 ASN HND1 3.94
&rst
ixpk= 0, nxpk= 0, iat= 376, 428, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 29 ASN HA 29 ASN HB2 2.80
&rst
ixpk= 0, nxpk= 0, iat= 421, 423, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 74 ASP HA 85 VAL HB 3.23
&rst
ixpk= 0, nxpk= 0, iat=1096,1280, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 30 PHE HA 30 PHE HD 3.29
&rst
ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 441, 449,
&end
#
# 64 GLU QG 65 ASP HA 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 934, 935,
&end
#
# 50 GLU HA 50 GLU QB 3.02
&rst
ixpk= 0, nxpk= 0, iat= 735, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr2= 737, 738,
&end
#
# 36 ILE HA 61 LEU QD2 3.27
&rst
ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 903, 904, 905,
&end
#
# 36 ILE HA 36 ILE QD1 3.56
&rst
ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 533, 534, 535,
&end
#
# 36 ILE HA 36 ILE QG2 3.45
&rst
ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 526, 527, 528,
&end
#
# 13 VAL QG1 87 LYS HA 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1314, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 171, 172, 173,
&end
#
# 72 LYS HA 72 LYS QE 3.80
&rst
ixpk= 0, nxpk= 0, iat=1052, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1063,1064,
&end
#
# 94 ASP HA 94 ASP HB3 2.79
&rst
ixpk= 0, nxpk= 0, iat=1434,1437, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29, &end
#
# 73 LYS HA 76 GLU HG2 3.32
&rst
ixpk= 0, nxpk= 0, iat=1074,1137, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 73 LYS HA 76 GLU HG3 3.21
&rst
ixpk= 0, nxpk= 0, iat=1074,1138, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 72 LYS HA 72 LYS QB 2.53
&rst
ixpk= 0, nxpk= 0, iat=1052, -1, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34,
igr2=1054,1055,
&end
#
# 73 LYS HA 73 LYS QB 2.89
&rst
ixpk= 0, nxpk= 0, iat=1074, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2=1076,1077,
&end
#
# 43 VAL HA 44 HIS HD2 4.37
&rst
ixpk= 0, nxpk= 0, iat= 604, 631, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 98 LYS HA 98 LYS HG3 3.45
&rst
ixpk= 0, nxpk= 0, iat=1505,1511, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 43 VAL HA 59 VAL QG2 3.61
&rst
ixpk= 0, nxpk= 0, iat= 604, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 869, 870, 871,
&end
#
# 97 LEU HA 97 LEU QD1 3.36
&rst
ixpk= 0, nxpk= 0, iat=1486, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1493,1494,1495,
&end
#
# 92 GLU HA 92 GLU HG2 3.62
&rst
ixpk= 0, nxpk= 0, iat=1402,1407, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 49 ARG HA 49 ARG QB 3.00
&rst
ixpk= 0, nxpk= 0, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 713, 714,
&end
#
# 11 PHE HE 63 SER HA 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 918, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr1= 139, 143,
&end
#
# 11 PHE HD 63 SER HA 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 918, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 137, 145,
&end
#
# 90 ARG HA 93 MET HB2 3.27
&rst
ixpk= 0, nxpk= 0, iat=1364,1419, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 24 VAL HA 45 PHE HZ 3.56
&rst
ixpk= 0, nxpk= 0, iat= 345, 647, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 24 VAL HA 27 VAL HB 3.91
&rst
ixpk= 0, nxpk= 0, iat= 345, 390, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 11 PHE HD 64 GLU HA 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 929, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 137, 145,
&end
#
# 64 GLU HA 67 VAL HB 4.00
&rst
ixpk= 0, nxpk= 0, iat= 929, 970, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 17 GLY HA3 83 ILE QD1 4.72
&rst
ixpk= 0, nxpk= 0, iat= 249, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1255,1256,1257,
&end
#
# 95 TRP HB2 95 TRP HD1 3.69
&rst
ixpk= 0, nxpk= 0, iat=1448,1452, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 95 TRP HB3 95 TRP HD1 3.88
&rst
ixpk= 0, nxpk= 0, iat=1449,1452, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 13 VAL QG1 67 VAL HA 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 968, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 171, 172, 173,
&end
#
# 89 HIS HB3 89 HIS HD2 3.86
&rst
ixpk= 0, nxpk= 0, iat=1350,1358, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 13 VAL HA 88 SER HB3 4.47
&rst
ixpk= 0, nxpk= 0, iat= 167,1339, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 29 ASN HND1 30 PHE HB3 4.46
&rst
ixpk= 0, nxpk= 0, iat= 428, 438, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 15 LEU QD2 30 PHE HB3 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 438, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 216, 217, 218,
&end
#
# 44 HIS HB3 97 LEU QD2 3.96
&rst
ixpk= 0, nxpk= 0, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1497,1498,1499,
&end
#
# 44 HIS HB3 97 LEU HG 3.59
&rst
ixpk= 0, nxpk= 0, iat= 623,1491, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 61 LEU QD2 66 ASP HB2 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 958, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 903, 904, 905,
&end
#
# 68 LYS HA 72 LYS QE 4.11
&rst
ixpk= 0, nxpk= 0, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1063,1064,
&end
#
# 47 TYR QB 53 GLN HA 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 781, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 678, 679,
&end
#
# 37 HIS HB2 60 GLU HA 5.14
&rst
ixpk= 0, nxpk= 0, iat= 543, 877, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 26 ASP HB3 27 VAL HA 4.48
&rst
ixpk= 0, nxpk= 0, iat= 379, 388, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 61 LEU QD2 66 ASP HB3 3.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 903, 904, 905,
&end
#
# 37 HIS HA 37 HIS HB3 2.86
&rst
ixpk= 0, nxpk= 0, iat= 541, 544, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 91 THR HA 94 ASP HB3 3.90
&rst
ixpk= 0, nxpk= 0, iat=1388,1437, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 37 HIS HB2 60 GLU HB2 3.06
&rst
ixpk= 0, nxpk= 0, iat= 543, 879, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 82 TYR HD 84 GLU HG2 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1268, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1229,1238,
&end
#
# 27 VAL HB 43 VAL QG2 4.14
&rst
ixpk= 0, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 612, 613, 614,
&end
#
# 50 GLU HA 50 GLU HG2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 735, 740, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 9 GLU HB3 9 GLU HG2 2.85
&rst
ixpk= 0, nxpk= 0, iat= 112, 114, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, &end
#
# 9 GLU HA 9 GLU HG3 3.26
&rst
ixpk= 0, nxpk= 0, iat= 109, 115, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 24 VAL HB 43 VAL QG2 4.45
&rst
ixpk= 0, nxpk= 0, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 612, 613, 614,
&end
#
# 16 ARG HA 56 GLU HG2 4.84
&rst
ixpk= 0, nxpk= 0, iat= 224, 821, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 30 PHE HE 83 ILE HB 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1246, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 443, 447,
&end
#
# 75 ARG HB2 75 ARG HD2 4.13
&rst
ixpk= 0, nxpk= 0, iat=1110,1116, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 33 ASP HB2 69 MET QE 3.34
&rst
ixpk= 0, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1015,1016,1017,
&end
#
# 65 ASP HB3 69 MET QE 3.56
&rst
ixpk= 0, nxpk= 0, iat= 947, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=1015,1016,1017,
&end
#
# 25 GLU HA 28 GLN HG3 3.12
&rst
ixpk= 0, nxpk= 0, iat= 361, 410, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 16 ARG HA 56 GLU HG3 4.41
&rst
ixpk= 0, nxpk= 0, iat= 224, 822, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 72 LYS QB 72 LYS QE 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1=1054,1055,
igr2=1063,1064,
&end
#
# 71 LEU HA 71 LEU HG 3.19
&rst
ixpk= 0, nxpk= 0, iat=1033,1038, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 75 ARG HB3 75 ARG HD3 3.69
&rst
ixpk= 0, nxpk= 0, iat=1111,1117, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 97 LEU HB2 97 LEU QD1 3.39
&rst
ixpk= 0, nxpk= 0, iat=1488, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1493,1494,1495,
&end
#
# 94 ASP HA 97 LEU HB2 3.16
&rst
ixpk= 0, nxpk= 0, iat=1434,1488, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 58 PHE HE 97 LEU HB2 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1,1488, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 849, 853,
&end
#
# 61 LEU HB2 66 ASP HB2 3.51
&rst
ixpk= 0, nxpk= 0, iat= 894, 958, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 30 PHE HD 31 LEU HB2 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 457, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 441, 449,
&end
#
# 87 LYS HG2 87 LYS QE 3.40
&rst
ixpk= 0, nxpk= 0, iat=1319, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1325,1326,
&end
#
# 68 LYS HA 68 LYS QD 4.33
&rst
ixpk= 0, nxpk= 0, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 992, 993,
&end
#
# 27 VAL HA 78 MET QE 3.66
&rst
ixpk= 0, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1167,1168,1169,
&end
#
# 36 ILE HB 36 ILE QD1 3.05
&rst
ixpk= 0, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2= 533, 534, 535,
&end
#
# 29 ASN HND1 78 MET HB3 4.54
&rst
ixpk= 0, nxpk= 0, iat= 428,1161, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 46 ILE HA 46 ILE HG12 4.06
&rst
ixpk= 0, nxpk= 0, iat= 657, 665, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 52 ARG HB3 52 ARG QD 3.91
&rst
ixpk= 0, nxpk= 0, iat= 760, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2= 765, 766,
&end
#
# 36 ILE HA 36 ILE QG1 3.88
&rst
ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 530, 531,
&end
#
# 38 ASP HA 41 ALA QB 4.18
&rst
ixpk= 0, nxpk= 0, iat= 558, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 589, 590, 591,
&end
#
# 30 PHE HE 83 ILE HG12 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1252, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 443, 447,
&end
#
# 70 ALA HA 73 LYS HG3 4.66
&rst
ixpk= 0, nxpk= 0, iat=1023,1080, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 75 ARG HA 75 ARG HG3 4.10
&rst
ixpk= 0, nxpk= 0, iat=1108,1114, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 64 GLU HA 67 VAL QG1 3.31
&rst
ixpk= 0, nxpk= 0, iat= 929, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 972, 973, 974,
&end
#
# 46 ILE QD1 96 VAL QG2 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 668, 669, 670,
igr2=1478,1479,1480,
&end
#
# 35 THR QG2 62 GLY HA3 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 912, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 512, 513, 514,
&end
#
# 12 VAL QG1 60 GLU HA 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 877, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 155, 156, 157,
&end
#
# 12 VAL QG1 89 HIS HA 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1347, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 155, 156, 157,
&end
#
# 24 VAL QG2 45 PHE HZ 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 647, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 353, 354, 355,
&end
#
# 23 SER HA 24 VAL QG2 5.31
&rst
ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2= 353, 354, 355,
&end
#
# 24 VAL HA 24 VAL QG2 3.45
&rst
ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 353, 354, 355,
&end
#
# 12 VAL QG1 60 GLU HB2 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 879, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 155, 156, 157,
&end
#
# 44 HIS HB2 97 LEU QD1 4.24
&rst
ixpk= 0, nxpk= 0, iat= 622, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=1493,1494,1495,
&end
#
# 64 GLU HA 67 VAL QG2 4.10
&rst
ixpk= 0, nxpk= 0, iat= 929, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 976, 977, 978,
&end
#
# 46 ILE QG2 58 PHE HE 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1= 661, 662, 663,
igr2= 849, 853,
&end
#
# 46 ILE QG2 46 ILE HG13 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 666, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 661, 662, 663,
&end
#
# 67 VAL HB 71 LEU QD1 4.70
&rst
ixpk= 0, nxpk= 0, iat= 970, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=1040,1041,1042,
&end
#
# 46 ILE QG2 96 VAL HA 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1470, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 661, 662, 663,
&end
#
# 10 GLY HA3 12 VAL QG2 4.42
&rst
ixpk= 0, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 159, 160, 161,
&end
#
# 30 PHE HD 31 LEU QD1 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 441, 449,
igr2= 462, 463, 464,
&end
#
# 40 ALA HA 43 VAL QG1 3.76
&rst
ixpk= 0, nxpk= 0, iat= 577, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 608, 609, 610,
&end
#
# 71 LEU QD2 87 LYS HA 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1314, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1=1044,1045,1046,
&end
#
# 15 LEU QD1 30 PHE HE 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 212, 213, 214,
igr2= 443, 447,
&end
#
# 34 CYS HB3 36 ILE QD1 5.47
&rst
ixpk= 0, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2= 533, 534, 535,
&end
#
# 14 LYS HG3 58 PHE HE 4.42
&rst
ixpk= 0, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 849, 853,
&end
#
# 30 PHE HE 83 ILE QG2 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 443, 447,
igr2=1248,1249,1250,
&end
#
# 30 PHE HE 83 ILE QD1 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79,
igr1= 443, 447,
igr2=1255,1256,1257,
&end
#
# 43 VAL QG2 45 PHE HA 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 637, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 612, 613, 614,
&end
#
# 30 PHE HE 83 ILE HG13 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1253, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 443, 447,
&end
#
# 46 ILE HN 56 GLU O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat= 655, 827, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 58 PHE HN 44 HIS O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat= 839, 633, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 60 GLU HN 42 GLY O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat= 875, 600, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 57 ALA HN 15 LEU O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat= 829, 220, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 59 VAL HN 13 VAL O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat= 859, 179, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 61 LEU HN 11 PHE O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat= 890, 147, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 13 VAL HN 59 VAL O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat= 165, 873, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 15 LEU HN 57 ALA O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat= 203, 837, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 14 LYS HN 86 PHE O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat= 181,1310, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 16 ARG HN 84 GLU O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat= 222,1274, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 18 LEU HN 82 TYR O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat= 253,1240, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 84 GLU HN 16 ARG O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat=1261, 244, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 86 PHE HN 14 LYS O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat=1292, 201, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 83 ILE HN 76 GLU O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat=1242,1143, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 85 VAL HN 74 ASP O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat=1276,1104, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 27 VAL HN 23 SER O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat= 386, 341, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 28 GLN HN 24 VAL O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat= 402, 357, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 29 ASN HN 25 GLU O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat= 419, 372, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 30 PHE HN 26 ASP O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat= 433, 384, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 31 LEU HN 27 VAL O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat= 453, 400, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 67 VAL HN 63 SER O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat= 966, 925, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 68 LYS HN 64 GLU O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat= 982, 940, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 69 MET HN 65 ASP O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat=1004, 952, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 70 ALA HN 66 ASP O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat=1021, 964, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 71 LEU HN 67 VAL O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat=1031, 980, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 72 LYS HN 68 LYS O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat=1050,1002, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 46 ILE N 56 GLU O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat= 654, 827, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 58 PHE N 44 HIS O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat= 838, 633, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 60 GLU N 42 GLY O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat= 874, 600, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 57 ALA N 15 LEU O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat= 828, 220, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 59 VAL N 13 VAL O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat= 858, 179, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 61 LEU N 11 PHE O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat= 889, 147, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 13 VAL N 59 VAL O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat= 164, 873, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 15 LEU N 57 ALA O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat= 202, 837, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 14 LYS N 86 PHE O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat= 180,1310, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 16 ARG N 84 GLU O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat= 221,1274, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 18 LEU N 82 TYR O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat= 252,1240, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 84 GLU N 16 ARG O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat=1260, 244, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 86 PHE N 14 LYS O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat=1291, 201, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 83 ILE N 76 GLU O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat=1241,1143, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 85 VAL N 74 ASP O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat=1275,1104, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 27 VAL N 23 SER O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat= 385, 341, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 28 GLN N 24 VAL O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat= 401, 357, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 29 ASN N 25 GLU O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat= 418, 372, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 30 PHE N 26 ASP O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat= 432, 384, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 31 LEU N 27 VAL O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat= 452, 400, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 67 VAL N 63 SER O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat= 965, 925, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 68 LYS N 64 GLU O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat= 981, 940, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 69 MET N 65 ASP O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat=1003, 952, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 70 ALA N 66 ASP O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat=1020, 964, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 71 LEU N 67 VAL O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat=1030, 980, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 72 LYS N 68 LYS O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat=1049,1002, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 52 ARG HN 50 GLU HN 5.0 5.50
&rst
ixpk= 0, nxpk= 0, iat= 755, 733, r1= 4.50, r2= 5.00, r3= 5.50, r4= 6.00, &end
#
# 103 RADE H1' 103 RADE H2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1583,1595, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 103 RADE H1' 103 RADE H2' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1583,1601, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 103 RADE H1' 103 RADE H4' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1583,1580, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 103 RADE H1' 103 RADE H8 2.50
&rst
ixpk= 0, nxpk= 0, iat=1583,1586, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 103 RADE H1' 103 RADE Q5' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1583, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1577,1578,
&end
#
# 103 RADE H3' 103 RADE H1' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1599,1583, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 103 RADE H3' 103 RADE H4' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1599,1580, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 103 RADE H3' 103 RADE Q5' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1599, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1577,1578,
&end
#
# 103 RADE H4' 103 RADE Q5' 3.00
&rst
ixpk= 0, nxpk= 0, iat=1580, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1577,1578,
&end
#
# 103 RADE H8 103 RADE H2' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1586,1601, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 103 RADE H8 103 RADE H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1586,1580, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 103 RADE H8 103 RADE Q5' 5.50
&rst
ixpk= 0, nxpk= 0, iat=1586, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1577,1578,
&end
#
# 103 RADE Q5' 104 RGUA H1' 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1616, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1577,1578,
&end
#
# 104 RGUA H1' 104 RGUA H2' 4.50
&rst
ixpk= 0, nxpk= 0, iat=1616,1635, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 104 RGUA H1' 104 RGUA H3' 4.50
&rst
ixpk= 0, nxpk= 0, iat=1616,1633, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 104 RGUA H1' 104 RGUA H4' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1616,1613, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 104 RGUA H1' 104 RGUA H8 4.00
&rst
ixpk= 0, nxpk= 0, iat=1616,1619, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 104 RGUA H2' 104 RGUA H8 4.00
&rst
ixpk= 0, nxpk= 0, iat=1635,1619, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 104 RGUA H3' 104 RGUA H8 4.00
&rst
ixpk= 0, nxpk= 0, iat=1633,1619, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 104 RGUA H4' 104 RGUA Q5' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1613, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1610,1611,
&end
#
# 104 RGUA H4' 104 RGUA H8 5.00
&rst
ixpk= 0, nxpk= 0, iat=1613,1619, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 104 RGUA Q5' 104 RGUA H8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1619, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1610,1611,
&end
#
# 104 RGUA Q5' 103 RADE H8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1586, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1610,1611,
&end
#
# 104 RGUA H1' 105 RGUA H8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1616,1653, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 104 RGUA H1 106 RGUA H1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1625,1693, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 105 RGUA H1' 105 RGUA H2' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1650,1669, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 105 RGUA H1' 105 RGUA H3' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1650,1667, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 105 RGUA H1' 105 RGUA H4' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1650,1647, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 105 RGUA H1' 105 RGUA Q5' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1650, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1644,1645,
&end
#
# 105 RGUA H1' 105 RGUA H8 4.00
&rst
ixpk= 0, nxpk= 0, iat=1650,1653, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 105 RGUA H2' 105 RGUA H8 3.00
&rst
ixpk= 0, nxpk= 0, iat=1669,1653, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 105 RGUA H4' 105 RGUA Q5' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1647, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1644,1645,
&end
#
# 105 RGUA H4' 105 RGUA H8 5.00
&rst
ixpk= 0, nxpk= 0, iat=1647,1653, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 105 RGUA Q5' 105 RGUA H8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1653, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1644,1645,
&end
#
# 105 RGUA H4' 106 RGUA H2' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1647,1703, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 105 RGUA H4' 106 RGUA H8 5.00
&rst
ixpk= 0, nxpk= 0, iat=1647,1687, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 105 RGUA Q5' 106 RGUA H8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1687, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1644,1645,
&end
#
# 106 RGUA H1' 106 RGUA H2' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1684,1703, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 106 RGUA H1' 106 RGUA H3' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1684,1701, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 106 RGUA H1' 106 RGUA H4' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1684,1681, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 106 RGUA H1' 106 RGUA Q5' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1684, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1678,1679,
&end
#
# 106 RGUA H1' 106 RGUA H8 3.00
&rst
ixpk= 0, nxpk= 0, iat=1684,1687, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 106 RGUA H2' 106 RGUA H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1703,1681, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 106 RGUA H2' 106 RGUA Q5' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1703, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1678,1679,
&end
#
# 106 RGUA H3' 106 RGUA H4' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1701,1681, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 106 RGUA Q5' 106 RGUA H3' 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1701, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1678,1679,
&end
#
# 106 RGUA H1' 107 RADE H8 5.00
&rst
ixpk= 0, nxpk= 0, iat=1684,1721, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 106 RGUA H8 107 RADE H8 5.00
&rst
ixpk= 0, nxpk= 0, iat=1687,1721, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 106 RGUA H8 107 RADE H2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1687,1730, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 107 RADE H1' 107 RADE H2' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1718,1736, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 107 RADE H1' 107 RADE H3' 4.50
&rst
ixpk= 0, nxpk= 0, iat=1718,1734, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 107 RADE H1' 107 RADE H4' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1718,1715, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 107 RADE H1' 107 RADE Q5' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1718, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1712,1713,
&end
#
# 107 RADE H1' 107 RADE H8 4.00
&rst
ixpk= 0, nxpk= 0, iat=1718,1721, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 107 RADE H2' 107 RADE H8 5.00
&rst
ixpk= 0, nxpk= 0, iat=1736,1721, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 107 RADE H4' 107 RADE H8 5.00
&rst
ixpk= 0, nxpk= 0, iat=1715,1721, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 107 RADE Q5' 107 RADE H8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1721, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1712,1713,
&end
#
# 107 RADE H8 106 RGUA H2' 5.50
&rst
ixpk= 0, nxpk= 0, iat=1721,1703, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 107 RADE H8 106 RGUA H3' 5.50
&rst
ixpk= 0, nxpk= 0, iat=1721,1701, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 107 RADE H8 106 RGUA H4' 5.50
&rst
ixpk= 0, nxpk= 0, iat=1721,1681, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 107 RADE H8 106 RGUA Q5' 5.50
&rst
ixpk= 0, nxpk= 0, iat=1721, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1678,1679,
&end
#
# 107 RADE H1' 108 URA H5 5.00
&rst
ixpk= 0, nxpk= 0, iat=1718,1756, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 107 RADE H1' 108 URA H6 5.00
&rst
ixpk= 0, nxpk= 0, iat=1718,1754, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 107 RADE H2 108 URA H1' 4.50
&rst
ixpk= 0, nxpk= 0, iat=1730,1751, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 107 RADE H2 108 URA H6 4.50
&rst
ixpk= 0, nxpk= 0, iat=1730,1754, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 107 RADE H4' 108 URA H6 5.00
&rst
ixpk= 0, nxpk= 0, iat=1715,1754, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 107 RADE H8 108 URA H5 5.00
&rst
ixpk= 0, nxpk= 0, iat=1721,1756, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 107 RADE H8 108 URA H6 5.00
&rst
ixpk= 0, nxpk= 0, iat=1721,1754, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 107 RADE H2' 108 URA H6 5.00
&rst
ixpk= 0, nxpk= 0, iat=1736,1754, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 108 URA H1' 108 URA H2' 3.50
&rst
ixpk= 0, nxpk= 0, iat=1751,1766, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 108 URA H1' 108 URA H3' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1751,1764, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 108 URA H1' 108 URA H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1751,1748, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 108 URA H1' 108 URA H5 5.00
&rst
ixpk= 0, nxpk= 0, iat=1751,1756, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 108 URA H1' 108 URA H6 4.00
&rst
ixpk= 0, nxpk= 0, iat=1751,1754, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 108 URA H2' 108 URA H5 5.00
&rst
ixpk= 0, nxpk= 0, iat=1766,1756, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 108 URA H2' 108 URA H6 3.50
&rst
ixpk= 0, nxpk= 0, iat=1766,1754, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 108 URA H3' 108 URA H6 3.50
&rst
ixpk= 0, nxpk= 0, iat=1764,1754, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 108 URA H4' 108 URA H6 5.00
&rst
ixpk= 0, nxpk= 0, iat=1748,1754, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 108 URA H5 108 URA H3' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1756,1764, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 108 URA H5 108 URA H6 3.50
&rst
ixpk= 0, nxpk= 0, iat=1756,1754, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 104 RGUA H1 18 TYR O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat=1659,1240, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 104 RGUA N1 18 TYR O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat=1658,1240, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 105 RGUA H1 82 TYR O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat=1659,1240, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 105 RGUA N1 82 TYR O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat=1658,1240, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 103 RADE H1' 20 TRP HZ2 4.50
&rst
ixpk= 0, nxpk= 0, iat=1583, 299, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 103 RADE H2 20 TRP HD1 4.50
&rst
ixpk= 0, nxpk= 0, iat=1595, 294, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 103 RADE H2 20 TRP HE3 4.50
&rst
ixpk= 0, nxpk= 0, iat=1595, 305, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 103 RADE H2 20 TRP HZ3 4.50
&rst
ixpk= 0, nxpk= 0, iat=1595, 303, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 103 RADE H2' 20 TRP HZ2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1601, 299, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 103 RADE H2' 20 TRP HZ3 4.50
&rst
ixpk= 0, nxpk= 0, iat=1601, 303, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 103 RADE H8 20 TRP HZ3 4.50
&rst
ixpk= 0, nxpk= 0, iat=1586, 303, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 103 RADE Q5' 20 TRP HZ2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 299, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1577,1578,
&end
#
# 103 RADE Q5' 20 TRP HZ3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 303, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1577,1578,
&end
#
# 20 TRP HE3 103 RADE H2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 305,1595, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 TRP HH2 103 RADE H2' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 301,1601, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 20 TRP HH2 103 RADE H3' 4.50
&rst
ixpk= 0, nxpk= 0, iat= 301,1599, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 TRP HH2 103 RADE H8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 301,1586, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 52 ARG HB2 103 RADE H2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 759,1595, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 52 ARG HB3 103 RADE H2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 760,1595, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 52 ARG QD 103 RADE H2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1595, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 765, 766,
&end
#
# 52 ARG QG 103 RADE H2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1595, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 762, 763,
&end
#
# 103 RADE H1' 20 TRP HH2 4.50
&rst
ixpk= 0, nxpk= 0, iat=1583, 301, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 103 RADE H2' 20 TRP HH2 4.00
&rst
ixpk= 0, nxpk= 0, iat=1601, 301, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 103 RADE H8 20 TRP HH2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1586, 301, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 104 RGUA H1' 20 TRP HZ2 4.50
&rst
ixpk= 0, nxpk= 0, iat=1616, 299, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 104 RGUA H4' 20 TRP HZ3 4.50
&rst
ixpk= 0, nxpk= 0, iat=1613, 303, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 TRP HE3 104 RGUA H8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 305,1619, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 TRP HH2 104 RGUA H2' 4.50
&rst
ixpk= 0, nxpk= 0, iat= 301,1635, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 TRP HH2 104 RGUA Q5' 4.50
&rst
ixpk= 0, nxpk= 0, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1610,1611,
&end
#
# 20 TRP HZ3 104 RGUA H8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 303,1619, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 104 RGUA H1' 20 TRP HZ3 5.00
&rst
ixpk= 0, nxpk= 0, iat=1616, 303, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 104 RGUA Q5' 20 TRP HH2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1610,1611,
&end
#
# 19 PRO QD 104 RGUA H1 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1625, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 273, 274,
&end
#
# 18 LEU HN 104 RGUA H1 4.50
&rst
ixpk= 0, nxpk= 0, iat= 253,1625, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 PRO HA 104 RGUA H1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 282,1625, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 20 TRP HA 104 RGUA H1 4.50
&rst
ixpk= 0, nxpk= 0, iat= 288,1625, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 82 TYR HD 105 RGUA H8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1653, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1229,1238,
&end
#
# 82 TYR HE 105 RGUA H8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1653, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1231,1236,
&end
#
# 18 LEU QD2 105 RGUA H1 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1659, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 266, 267, 268,
&end
#
# 81 ARG QG 105 RGUA H1 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1659, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1204,1205,
&end
#
# 81 ARG HE 105 RGUA H1 4.50
&rst
ixpk= 0, nxpk= 0, iat=1210,1659, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 82 TYR HA 105 RGUA H1 4.50
&rst
ixpk= 0, nxpk= 0, iat=1223,1659, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 82 TYR QB 105 RGUA H1 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1659, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1225,1226,
&end
#
# 82 TYR HN 105 RGUA H1 4.50
&rst
ixpk= 0, nxpk= 0, iat=1221,1659, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 82 TYR HD 105 RGUA H1 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1659, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1229,1238,
&end
#
# 82 TYR HE 105 RGUA H1 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1659, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1231,1236,
&end
#
# 83 ILE HA 105 RGUA H1 4.50
&rst
ixpk= 0, nxpk= 0, iat=1244,1659, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 83 ILE QD1 105 RGUA H1 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1659, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1255,1256,1257,
&end
#
# 84 GLU QB 105 RGUA H1 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1659, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1265,1266,
&end
#
# 84 GLU QG 105 RGUA H1 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1659, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1268,1269,
&end
#
# 84 GLU HN 105 RGUA H1 4.50
&rst
ixpk= 0, nxpk= 0, iat=1261,1659, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 75 ARG QB 107 RADE H2 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1730, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1110,1111,
&end
#
# 75 ARG QG 107 RADE H2 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1730, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1113,1114,
&end
#
# 75 ARG QD 107 RADE H2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1730, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1116,1117,
&end
#
# 82 TYR HE 107 RADE H2 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1730, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1231,1236,
&end
#
# 108 URA H2' 86 PHE HD 4.50
&rst
ixpk= 0, nxpk= 0, iat=1766, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1300,1308,
&end
#
# 108 URA H2' 86 PHE HE 4.50
&rst
ixpk= 0, nxpk= 0, iat=1766, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1302,1306,
&end
#
# 108 URA H3' 86 PHE HD 4.00
&rst
ixpk= 0, nxpk= 0, iat=1764, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1300,1308,
&end
#
# 108 URA H3' 86 PHE HE 4.50
&rst
ixpk= 0, nxpk= 0, iat=1764, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1302,1306,
&end
#
# 108 URA H5 86 PHE HD 4.00
&rst
ixpk= 0, nxpk= 0, iat=1756, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1300,1308,
&end
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