NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
502601 |
2rra   |
cing | 1-original | 3 | AMBER | distance | NOE | simple |
#
# 6 SER HA 7 GLY HN 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat= 53, 62, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
rk2 = 32.0, rk3 = 32.0, ir6=1, ialtd=0,
&end
#
# 7 GLY QA 8 ASN HN 1.80 3.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 69, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr1= 64, 65,
&end
#
# 7 GLY QA 93 ILE HB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1414, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 64, 65,
&end
#
# 7 GLY QA 93 ILE QD1 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 64, 65,
igr2=1423,1424,1425,
&end
#
# 7 GLY QA 93 ILE QG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 64, 65,
igr2=1416,1417,1418,
&end
#
# 8 ASN HA 9 ARG+ HN 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat= 71, 83, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 8 ASN HN 8 ASN HB2 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 69, 73, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 8 ASN HN 8 ASN HB3 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 69, 74, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 8 ASN QB 8 ASN QD2 1.80 3.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 73, 74,
igr2= 78, 79,
&end
#
# 8 ASN QB 10 ALA QB 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 73, 74,
igr2= 111, 112, 113,
&end
#
# 9 ARG+ HA 10 ALA QB 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat= 85, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 111, 112, 113,
&end
#
# 9 ARG+ HA 93 ILE HB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 85,1414, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 ARG+ HA 93 ILE QD1 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 85, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1423,1424,1425,
&end
#
# 9 ARG+ HA 93 ILE QG2 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 85, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2=1416,1417,1418,
&end
#
# 9 ARG+ HE 93 ILE QD1 1.80 5.32
&rst
ixpk= 0, nxpk= 0, iat= 96, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2=1423,1424,1425,
&end
#
# 9 ARG+ HN 9 ARG+ QB 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 87, 88,
&end
#
# 9 ARG+ HN 9 ARG+ QG 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 90, 91,
&end
#
# 9 ARG+ HN 9 ARG+ HB2 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= 83, 87, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 9 ARG+ HN 9 ARG+ HB3 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= 83, 88, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 9 ARG+ HN 9 ARG+ HG2 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 83, 90, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 9 ARG+ HN 9 ARG+ HG3 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 83, 91, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 9 ARG+ HN 10 ALA HN 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 83, 107, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 9 ARG+ HN 93 ILE QD1 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=1423,1424,1425,
&end
#
# 9 ARG+ QB 10 ALA HN 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 107, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 87, 88,
&end
#
# 9 ARG+ QB 93 ILE QD1 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 87, 88,
igr2=1423,1424,1425,
&end
#
# 9 ARG+ QB 93 ILE QG2 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1= 87, 88,
igr2=1416,1417,1418,
&end
#
# 9 ARG+ QG 93 ILE QD1 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 90, 91,
igr2=1423,1424,1425,
&end
#
# 9 ARG+ HG2 93 ILE QD1 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1423,1424,1425,
&end
#
# 9 ARG+ HG3 93 ILE QD1 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 91, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1423,1424,1425,
&end
#
# 10 ALA HA 12 PROO HD2 3.50 100.00
&rst
ixpk= 0, nxpk= 0, iat= 109, 132, r1= 3.00, r2= 3.50, r3=100.00, r4=100.50, &end
#
# 10 ALA HA 12 PROO HD3 3.50 100.00
&rst
ixpk= 0, nxpk= 0, iat= 109, 133, r1= 3.00, r2= 3.50, r3=100.00, r4=100.50, &end
#
# 10 ALA HN 10 ALA QB 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat= 107, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 111, 112, 113,
&end
#
# 10 ALA QB 11 ASN HN 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 111, 112, 113,
&end
#
# 10 ALA QB 11 ASN QB 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 111, 112, 113,
igr2= 121, 122,
&end
#
# 10 ALA QB 11 ASN HD21 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 126, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 111, 112, 113,
&end
#
# 10 ALA QB 11 ASN HD22 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 127, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 111, 112, 113,
&end
#
# 11 ASN HA 12 PROO QD 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 132, 133,
&end
#
# 11 ASN HA 12 PROO HD2 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 119, 132, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 11 ASN HA 12 PROO HD3 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 119, 133, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 11 ASN HN 10 ALA HA 1.80 2.50
&rst
ixpk= 0, nxpk= 0, iat= 117, 109, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 11 ASN HN 11 ASN HA 2.50 100.00
&rst
ixpk= 0, nxpk= 0, iat= 117, 119, r1= 2.00, r2= 2.50, r3=100.00, r4=100.50, &end
#
# 11 ASN HN 12 PROO QD 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 132, 133,
&end
#
# 11 ASN HN 12 PROO HD2 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= 117, 132, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 11 ASN HN 12 PROO HD3 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= 117, 133, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 11 ASN QB 11 ASN QD2 1.80 3.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 121, 122,
igr2= 126, 127,
&end
#
# 11 ASN QB 12 PROO QD 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 121, 122,
igr2= 132, 133,
&end
#
# 12 PROO HA 13 ASP- HN 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat= 141, 145, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 12 PROO HA 93 ILE QG2 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1416,1417,1418,
&end
#
# 12 PROO QB 13 ASP- HN 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 145, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 138, 139,
&end
#
# 12 PROO QB 93 ILE QG2 1.80 3.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 138, 139,
igr2=1416,1417,1418,
&end
#
# 12 PROO QD 12 PROO QB 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 132, 133,
igr2= 138, 139,
&end
#
# 12 PROO QD 91 PHE QD 1.80 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 132, 133,
igr2=1387,1395,
&end
#
# 12 PROO QG 91 PHE HN 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1379, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 135, 136,
&end
#
# 12 PROO QG 91 PHE HN 3.50 100.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1379, r1= 3.00, r2= 3.50, r3=112.25, r4=112.75,
igr1= 135, 136,
&end
#
# 12 PROO QG 91 PHE QB 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 135, 136,
igr2=1383,1384,
&end
#
# 12 PROO QG 91 PHE QD 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 135, 136,
igr2=1387,1395,
&end
#
# 12 PROO QG 91 PHE HB2 3.50 100.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1383, r1= 3.00, r2= 3.50, r3=112.25, r4=112.75,
igr1= 135, 136,
&end
#
# 12 PROO QG 91 PHE HB3 3.50 100.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1384, r1= 3.00, r2= 3.50, r3=112.25, r4=112.75,
igr1= 135, 136,
&end
#
# 12 PROO QG 93 ILE QG2 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 135, 136,
igr2=1416,1417,1418,
&end
#
# 12 PROO HB2 13 ASP- HN 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= 138, 145, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 12 PROO HB3 13 ASP- HN 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= 139, 145, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 12 PROO HD2 12 PROO QG 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 135, 136,
&end
#
# 12 PROO HD3 12 PROO QG 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= 133, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 135, 136,
&end
#
# 13 ASP- HA 14 PROO QD 1.80 3.06
&rst
ixpk= 0, nxpk= 0, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2= 158, 159,
&end
#
# 13 ASP- HA 14 PROO HD2 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= 147, 158, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 13 ASP- HA 14 PROO HD3 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= 147, 159, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 13 ASP- HA 14 PROO HG3 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 147, 162, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 13 ASP- HN 13 ASP- QB 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2= 149, 150,
&end
#
# 13 ASP- HN 13 ASP- HB2 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= 145, 149, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 13 ASP- HN 13 ASP- HB3 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= 145, 150, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 13 ASP- QB 14 PROO QD 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1= 149, 150,
igr2= 158, 159,
&end
#
# 13 ASP- HB2 14 PROO HD2 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 149, 158, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 13 ASP- HB2 14 PROO HD3 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 149, 159, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 13 ASP- HB3 14 PROO HD2 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 150, 158, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 13 ASP- HB3 14 PROO HD3 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 150, 159, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 14 PROO QB 67 VAL QG1 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 164, 165,
igr2=1007,1008,1009,
&end
#
# 14 PROO QB 71 LYS+ QD 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 164, 165,
igr2=1061,1062,
&end
#
# 14 PROO QB 71 LYS+ QE 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 164, 165,
igr2=1064,1065,
&end
#
# 14 PROO QD 14 PROO QB 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 158, 159,
igr2= 164, 165,
&end
#
# 14 PROO QD 14 PROO HG2 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 161, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1= 158, 159,
&end
#
# 14 PROO HB2 67 VAL QG1 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2=1007,1008,1009,
&end
#
# 14 PROO HB2 71 LYS+ QD 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=1061,1062,
&end
#
# 14 PROO HB3 67 VAL QG1 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2=1007,1008,1009,
&end
#
# 14 PROO HB3 71 LYS+ QD 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=1061,1062,
&end
#
# 14 PROO HD2 14 PROO HG2 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= 158, 161, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 14 PROO HD2 14 PROO HG3 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= 158, 162, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 14 PROO HD3 14 PROO HG2 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= 159, 161, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 14 PROO HD3 14 PROO HG3 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= 159, 162, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 14 PROO HG2 91 PHE QE 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 161, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1389,1393,
&end
#
# 14 PROO HG3 71 LYS+ QE 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1064,1065,
&end
#
# 14 PROO HG3 91 PHE QE 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=1389,1393,
&end
#
# 15 ASN HA 67 VAL QG2 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= 173, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1011,1012,1013,
&end
#
# 15 ASN QB 16 CYS HN 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 185, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 175, 176,
&end
#
# 15 ASN QB 17 CYS HN 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 196, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 175, 176,
&end
#
# 16 CYS HA 67 VAL HA 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 187,1003, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 16 CYS HA 67 VAL QG2 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 187, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1011,1012,1013,
&end
#
# 16 CYS HA 70 ALA QB 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= 187, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1045,1046,1047,
&end
#
# 16 CYS HN 17 CYS HN 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 185, 196, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 16 CYS HN 67 VAL HA 3.50 100.00
&rst
ixpk= 0, nxpk= 0, iat= 185,1003, r1= 3.00, r2= 3.50, r3=100.00, r4=100.50, &end
#
# 17 CYS HN 17 CYS HB2 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 196, 200, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 17 CYS HN 17 CYS HB3 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 196, 201, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 17 CYS QB 92 SER QB 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 200, 201,
igr2=1403,1404,
&end
#
# 18 LEU HA 18 LEU QD2 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= 209, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 220, 221, 222,
&end
#
# 18 LEU HA 91 PHE HA 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= 209,1381, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 18 LEU HA 92 SER HN 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat= 209,1399, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 18 LEU HG 64 PHE QD 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 214, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 960, 968,
&end
#
# 18 LEU HG 64 PHE QE 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= 214, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 962, 966,
&end
#
# 18 LEU HN 18 LEU HG 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 207, 214, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 18 LEU HN 18 LEU QD2 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 220, 221, 222,
&end
#
# 18 LEU HN 62 VAL HB 1.80 5.09
&rst
ixpk= 0, nxpk= 0, iat= 207, 919, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 18 LEU HN 62 VAL HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 207, 915, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 18 LEU QD1 19 GLY HN 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 226, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 216, 217, 218,
&end
#
# 18 LEU QD1 36 PHE QD 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 216, 217, 218,
igr2= 507, 515,
&end
#
# 18 LEU QD1 36 PHE QE 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 216, 217, 218,
igr2= 509, 513,
&end
#
# 18 LEU QD1 62 VAL HB 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 216, 217, 218,
&end
#
# 18 LEU QD1 64 PHE HZ 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 964, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 216, 217, 218,
&end
#
# 18 LEU QD1 64 PHE QD 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 216, 217, 218,
igr2= 960, 968,
&end
#
# 18 LEU QD1 64 PHE QE 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 216, 217, 218,
igr2= 962, 966,
&end
#
# 18 LEU QD1 70 ALA HA 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 216, 217, 218,
&end
#
# 18 LEU QD1 70 ALA QB 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 216, 217, 218,
igr2=1045,1046,1047,
&end
#
# 18 LEU QD1 73 ALA QB 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 216, 217, 218,
igr2=1092,1093,1094,
&end
#
# 18 LEU QD1 74 LYS+ HA 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1100, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 216, 217, 218,
&end
#
# 18 LEU QD1 74 LYS+ HN 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1098, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 216, 217, 218,
&end
#
# 18 LEU QD2 70 ALA QB 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 220, 221, 222,
igr2=1045,1046,1047,
&end
#
# 18 LEU QD2 71 LYS+ HA 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1053, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 220, 221, 222,
&end
#
# 18 LEU QD2 91 PHE HA 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1381, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 220, 221, 222,
&end
#
# 18 LEU QD2 91 PHE QD 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 220, 221, 222,
igr2=1387,1395,
&end
#
# 18 LEU QD2 91 PHE QE 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 220, 221, 222,
igr2=1389,1393,
&end
#
# 18 LEU QD2 92 SER HN 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1399, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 220, 221, 222,
&end
#
# 19 GLY HN 90 ASP HN 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 226,1367, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 19 GLY HN 91 PHE HA 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= 226,1381, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 19 GLY QA 61 PHE HA 1.80 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 897, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 228, 229,
&end
#
# 19 GLY QA 61 PHE QE 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 228, 229,
igr2= 905, 909,
&end
#
# 19 GLY QA 62 VAL HN 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 915, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 228, 229,
&end
#
# 19 GLY HA2 61 PHE QD 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat= 228, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 903, 911,
&end
#
# 19 GLY HA3 61 PHE QD 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat= 229, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 903, 911,
&end
#
# 20 VAL HA 20 VAL QG1 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 239, 240, 241,
&end
#
# 20 VAL HA 20 VAL QG2 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 243, 244, 245,
&end
#
# 20 VAL HA 21 PHE HN 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= 235, 249, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 20 VAL HA 21 PHE QD 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 257, 265,
&end
#
# 20 VAL HA 89 VAL HA 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 235,1353, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 20 VAL HA 89 VAL QG2 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1361,1362,1363,
&end
#
# 20 VAL HA 90 ASP- HN 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= 235,1367, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 20 VAL HB 60 ALA HN 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= 237, 885, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 20 VAL HN 20 VAL HB 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= 233, 237, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 20 VAL HN 20 VAL QG1 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 239, 240, 241,
&end
#
# 20 VAL HN 20 VAL QG2 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 243, 244, 245,
&end
#
# 20 VAL HN 60 ALA HN 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 233, 885, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 20 VAL HN 60 ALA QB 1.80 5.22
&rst
ixpk= 0, nxpk= 0, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2= 889, 890, 891,
&end
#
# 20 VAL HN 61 PHE HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 233, 897, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 VAL QG1 21 PHE HA 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 251, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 239, 240, 241,
&end
#
# 20 VAL QG1 21 PHE HN 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 249, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 239, 240, 241,
&end
#
# 20 VAL QG1 32 LEU QD1 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 239, 240, 241,
igr2= 434, 435, 436,
&end
#
# 20 VAL QG1 36 PHE HZ 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 239, 240, 241,
&end
#
# 20 VAL QG1 36 PHE QE 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 239, 240, 241,
igr2= 509, 513,
&end
#
# 20 VAL QG1 87 ILE HA 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1,1310, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 239, 240, 241,
&end
#
# 20 VAL QG1 87 ILE HB 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1,1312, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1= 239, 240, 241,
&end
#
# 20 VAL QG1 88 ARG+ HN 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1327, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 239, 240, 241,
&end
#
# 20 VAL QG1 89 VAL HA 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1353, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 239, 240, 241,
&end
#
# 20 VAL QG1 89 VAL QG2 1.80 3.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 239, 240, 241,
igr2=1361,1362,1363,
&end
#
# 20 VAL QG2 21 PHE HN 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 249, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 243, 244, 245,
&end
#
# 20 VAL QG2 36 PHE HZ 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 243, 244, 245,
&end
#
# 20 VAL QG2 36 PHE QE 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 243, 244, 245,
igr2= 509, 513,
&end
#
# 20 VAL QG2 89 VAL HA 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1353, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 243, 244, 245,
&end
#
# 20 VAL QG2 89 VAL QG1 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 243, 244, 245,
igr2=1357,1358,1359,
&end
#
# 20 VAL QG2 89 VAL QG2 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 243, 244, 245,
igr2=1361,1362,1363,
&end
#
# 21 PHE HA 21 PHE QD 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= 251, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 257, 265,
&end
#
# 21 PHE HA 59 PHE HA 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 251, 867, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 21 PHE HA 59 PHE HB2 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 251, 869, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 21 PHE HA 59 PHE HB3 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 251, 870, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 21 PHE HA 60 ALA HN 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= 251, 885, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 21 PHE HN 21 PHE QD 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= 249, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 257, 265,
&end
#
# 21 PHE HN 22 GLY HN 3.50 100.00
&rst
ixpk= 0, nxpk= 0, iat= 249, 269, r1= 3.00, r2= 3.50, r3=100.00, r4=100.50, &end
#
# 21 PHE HN 88 ARG+ HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 249,1327, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 21 PHE HN 89 VAL HA 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 249,1353, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 21 PHE QB 88 ARG+ QB 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 253, 254,
igr2=1331,1332,
&end
#
# 21 PHE QD 59 PHE QB 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 257, 265,
igr2= 869, 870,
&end
#
# 21 PHE QD 59 PHE QD 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 257, 265,
igr2= 873, 881,
&end
#
# 21 PHE QD 59 PHE HB2 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 869, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 257, 265,
&end
#
# 21 PHE QD 59 PHE HB3 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 870, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 257, 265,
&end
#
# 22 GLY HN 23 LEU HN 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= 269, 276, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 22 GLY HN 59 PHE HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 269, 867, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 GLY HN 59 PHE QD 1.80 5.17
&rst
ixpk= 0, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 873, 881,
&end
#
# 22 GLY QA 23 LEU HA 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 278, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 271, 272,
&end
#
# 22 GLY QA 87 ILE HA 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1310, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 271, 272,
&end
#
# 22 GLY QA 88 ARG+ HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1327, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 271, 272,
&end
#
# 23 LEU HA 23 LEU QD1 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 285, 286, 287,
&end
#
# 23 LEU HA 23 LEU QD2 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 289, 290, 291,
&end
#
# 23 LEU HA 87 ILE QG2 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1314,1315,1316,
&end
#
# 23 LEU HN 23 LEU HG 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= 276, 283, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 23 LEU HN 23 LEU HB2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 276, 280, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 23 LEU HN 23 LEU HB3 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 276, 281, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 23 LEU HN 23 LEU QD1 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 276, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 285, 286, 287,
&end
#
# 23 LEU HN 23 LEU QD2 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= 276, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 289, 290, 291,
&end
#
# 23 LEU HB2 23 LEU QD1 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 285, 286, 287,
&end
#
# 23 LEU HB2 23 LEU QD2 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 289, 290, 291,
&end
#
# 23 LEU HB2 24 SER HN 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= 280, 295, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 23 LEU HB2 27 THR HB 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 280, 350, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 23 LEU HB2 58 GLY HA2 1.80 5.28
&rst
ixpk= 0, nxpk= 0, iat= 280, 860, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 23 LEU HB2 58 GLY HA3 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 280, 861, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 23 LEU HB2 59 PHE HA 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= 280, 867, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 23 LEU HB3 23 LEU QD1 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 281, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 285, 286, 287,
&end
#
# 23 LEU HB3 23 LEU QD2 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= 281, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 289, 290, 291,
&end
#
# 23 LEU HB3 24 SER HN 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= 281, 295, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 23 LEU HB3 27 THR HB 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= 281, 350, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 23 LEU HB3 58 GLY HA2 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= 281, 860, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 23 LEU QD1 27 THR HB 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 350, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 285, 286, 287,
&end
#
# 23 LEU QD1 27 THR QG2 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 285, 286, 287,
igr2= 352, 353, 354,
&end
#
# 23 LEU QD1 58 GLY HA3 1.80 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 285, 286, 287,
&end
#
# 23 LEU QD1 59 PHE HN 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 865, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 285, 286, 287,
&end
#
# 23 LEU QD1 60 ALA HN 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 885, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 285, 286, 287,
&end
#
# 23 LEU QD1 60 ALA QB 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 285, 286, 287,
igr2= 889, 890, 891,
&end
#
# 23 LEU QD2 24 SER HN 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 295, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 289, 290, 291,
&end
#
# 23 LEU QD2 27 THR HB 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 350, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 289, 290, 291,
&end
#
# 23 LEU QD2 27 THR QG2 1.80 2.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 289, 290, 291,
igr2= 352, 353, 354,
&end
#
# 23 LEU QD2 87 ILE HA 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1310, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 289, 290, 291,
&end
#
# 23 LEU QD2 87 ILE HB 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1,1312, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 289, 290, 291,
&end
#
# 24 SER HA 25 LEU HN 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= 297, 306, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 24 SER HA 25 LEU QD2 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= 297, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 319, 320, 321,
&end
#
# 24 SER HA 26 TYR HN 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 297, 325, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 24 SER HA 26 TYR QD 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat= 297, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2= 333, 342,
&end
#
# 24 SER HA 85 ARG+ QD 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= 297, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1270,1271,
&end
#
# 24 SER HA 85 ARG+ QG 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= 297, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1267,1268,
&end
#
# 24 SER HN 24 SER QB 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= 295, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2= 299, 300,
&end
#
# 24 SER HN 26 TYR HN 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat= 295, 325, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 24 SER HN 27 THR HB 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= 295, 350, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 24 SER HN 85 ARG+ QD 1.80 5.32
&rst
ixpk= 0, nxpk= 0, iat= 295, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=1270,1271,
&end
#
# 24 SER HN 85 ARG+ QG 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 295, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1267,1268,
&end
#
# 24 SER QB 25 LEU HN 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 299, 300,
&end
#
# 24 SER QB 26 TYR HN 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 299, 300,
&end
#
# 24 SER QB 26 TYR QD 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 299, 300,
igr2= 333, 342,
&end
#
# 24 SER QB 27 THR HB 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 350, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 299, 300,
&end
#
# 24 SER QB 27 THR HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 346, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 299, 300,
&end
#
# 24 SER QB 83 ASP- QB 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 299, 300,
igr2=1245,1246,
&end
#
# 24 SER QB 83 ASP- HB2 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1245, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 299, 300,
&end
#
# 24 SER QB 83 ASP- HB3 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1246, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 299, 300,
&end
#
# 24 SER QB 85 ARG+ HE 1.80 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1273, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 299, 300,
&end
#
# 24 SER QB 85 ARG+ QD 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 299, 300,
igr2=1270,1271,
&end
#
# 24 SER QB 85 ARG+ QG 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 299, 300,
igr2=1267,1268,
&end
#
# 24 SER QB 85 ARG+ HG2 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1267, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 299, 300,
&end
#
# 24 SER QB 85 ARG+ HG3 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1268, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 299, 300,
&end
#
# 25 LEU HA 25 LEU HG 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= 308, 313, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 25 LEU HA 25 LEU QD1 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 315, 316, 317,
&end
#
# 25 LEU HA 25 LEU QD2 1.80 2.94
&rst
ixpk= 0, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 319, 320, 321,
&end
#
# 25 LEU HA 27 THR HN 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= 308, 346, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 25 LEU HA 56 SER HG 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 308, 830, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 25 LEU HN 25 LEU HG 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= 306, 313, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 25 LEU HN 25 LEU QB 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 310, 311,
&end
#
# 25 LEU HN 25 LEU QD1 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 315, 316, 317,
&end
#
# 25 LEU HN 25 LEU QD2 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 319, 320, 321,
&end
#
# 25 LEU HN 26 TYR HN 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= 306, 325, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 25 LEU HN 26 TYR QD 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 333, 342,
&end
#
# 25 LEU QB 25 LEU QD1 1.80 2.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 310, 311,
igr2= 315, 316, 317,
&end
#
# 25 LEU QB 25 LEU QD2 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1= 310, 311,
igr2= 319, 320, 321,
&end
#
# 25 LEU QB 26 TYR HN 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 310, 311,
&end
#
# 25 LEU QB 26 TYR QD 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 310, 311,
igr2= 333, 342,
&end
#
# 25 LEU QB 26 TYR QE 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 310, 311,
igr2= 335, 340,
&end
#
# 25 LEU QB 56 SER HB3 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 828, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 310, 311,
&end
#
# 25 LEU QD1 26 TYR QE 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 315, 316, 317,
igr2= 335, 340,
&end
#
# 25 LEU QD1 55 ARG+ QD 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 315, 316, 317,
igr2= 809, 810,
&end
#
# 25 LEU QD2 56 SER HG 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 830, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 319, 320, 321,
&end
#
# 25 LEU QD2 56 SER HB2 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 319, 320, 321,
&end
#
# 25 LEU QD2 56 SER HB3 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 828, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 319, 320, 321,
&end
#
# 25 LEU QD2 57 ARG+ HA 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 836, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 319, 320, 321,
&end
#
# 25 LEU QD2 58 GLY HN 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 319, 320, 321,
&end
#
# 25 LEU QD2 58 GLY HA2 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 319, 320, 321,
&end
#
# 25 LEU QD2 58 GLY HA3 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 319, 320, 321,
&end
#
# 26 TYR HA 26 TYR QD 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 333, 342,
&end
#
# 26 TYR HA 26 TYR QE 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 335, 340,
&end
#
# 26 TYR HN 26 TYR QD 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 333, 342,
&end
#
# 26 TYR HN 26 TYR QE 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 335, 340,
&end
#
# 26 TYR HN 26 TYR HB2 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= 325, 329, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 26 TYR HN 26 TYR HB3 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= 325, 330, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 26 TYR HN 27 THR HN 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat= 325, 346, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 26 TYR QB 27 THR HN 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 346, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 329, 330,
&end
#
# 26 TYR HB2 27 THR HN 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= 329, 346, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 26 TYR HB3 27 THR HN 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= 330, 346, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 27 THR HA 27 THR QG2 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat= 348, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2= 352, 353, 354,
&end
#
# 27 THR HA 28 THR HN 1.80 3.12
&rst
ixpk= 0, nxpk= 0, iat= 348, 360, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 27 THR HA 28 THR QG2 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= 348, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 366, 367, 368,
&end
#
# 27 THR HA 31 ASP- HB2 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 348, 417, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 27 THR HA 31 ASP- HB3 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat= 348, 418, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 27 THR HN 27 THR HB 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat= 346, 350, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 27 THR HN 27 THR QG2 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 352, 353, 354,
&end
#
# 27 THR QG2 28 THR HN 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 360, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 352, 353, 354,
&end
#
# 27 THR QG2 31 ASP- HN 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 413, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 352, 353, 354,
&end
#
# 27 THR QG2 31 ASP- HB2 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 417, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 352, 353, 354,
&end
#
# 27 THR QG2 31 ASP- HB3 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 418, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 352, 353, 354,
&end
#
# 27 THR QG2 32 LEU HG 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 432, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 352, 353, 354,
&end
#
# 27 THR QG2 32 LEU HN 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 352, 353, 354,
&end
#
# 27 THR QG2 32 LEU QD1 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 352, 353, 354,
igr2= 434, 435, 436,
&end
#
# 27 THR QG2 32 LEU QD2 1.80 3.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 352, 353, 354,
igr2= 438, 439, 440,
&end
#
# 27 THR QG2 82 LEU QD2 1.80 2.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 352, 353, 354,
igr2=1235,1236,1237,
&end
#
# 28 THR HA 28 THR QG2 1.80 2.99
&rst
ixpk= 0, nxpk= 0, iat= 362, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 366, 367, 368,
&end
#
# 28 THR HA 29 GLU- HN 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= 362, 374, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 28 THR HA 29 GLU- HB2 1.80 5.24
&rst
ixpk= 0, nxpk= 0, iat= 362, 378, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 28 THR HA 47 ILE QD1 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= 362, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2= 675, 676, 677,
&end
#
# 28 THR HB 29 GLU- HN 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= 364, 374, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 28 THR HB 29 GLU- HB3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 364, 379, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 THR HB 30 ARG+ HN 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= 364, 389, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 28 THR HB 30 ARG+ QB 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 393, 394,
&end
#
# 28 THR HB 47 ILE QD1 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 675, 676, 677,
&end
#
# 28 THR HN 28 THR HG1 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 360, 370, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 28 THR HN 28 THR QG2 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 366, 367, 368,
&end
#
# 28 THR HN 31 ASP- HN 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= 360, 413, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 28 THR HN 31 ASP- HB2 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 360, 417, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 28 THR HN 31 ASP- HB3 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 360, 418, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 28 THR HN 32 LEU HN 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 360, 425, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 28 THR HG1 30 ARG+ HN 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 370, 389, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 28 THR HG1 30 ARG+ HB2 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 370, 393, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 28 THR HG1 30 ARG+ HB3 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 370, 394, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 28 THR HG1 31 ASP- HN 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= 370, 413, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 28 THR QG2 28 THR HG1 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 370, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 366, 367, 368,
&end
#
# 28 THR QG2 29 GLU- HN 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 366, 367, 368,
&end
#
# 28 THR QG2 30 ARG+ HN 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 389, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 366, 367, 368,
&end
#
# 28 THR QG2 31 ASP- HN 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 413, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 366, 367, 368,
&end
#
# 28 THR QG2 47 ILE QD1 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 366, 367, 368,
igr2= 675, 676, 677,
&end
#
# 29 GLU- HA 29 GLU- QG 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 381, 382,
&end
#
# 29 GLU- HA 29 GLU- HG2 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 376, 381, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 29 GLU- HA 29 GLU- HG3 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 376, 382, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 29 GLU- HA 32 LEU HG 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= 376, 432, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 29 GLU- HA 32 LEU HN 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= 376, 425, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 29 GLU- HA 32 LEU HB2 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 376, 429, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 29 GLU- HA 32 LEU HB3 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= 376, 430, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 29 GLU- HA 32 LEU QD1 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 434, 435, 436,
&end
#
# 29 GLU- HA 33 ARG+ HN 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= 376, 444, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 29 GLU- HA 45 VAL QG1 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2= 641, 642, 643,
&end
#
# 29 GLU- HA 47 ILE QD1 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 675, 676, 677,
&end
#
# 29 GLU- HA 47 ILE QG1 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 672, 673,
&end
#
# 29 GLU- HA 47 ILE HG12 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= 376, 672, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 29 GLU- HA 47 ILE HG13 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= 376, 673, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 29 GLU- HN 29 GLU- QG 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 381, 382,
&end
#
# 29 GLU- HN 29 GLU- HB2 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= 374, 378, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 29 GLU- HN 29 GLU- HB3 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 374, 379, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 29 GLU- HN 29 GLU- HG2 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 374, 381, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 29 GLU- HN 29 GLU- HG3 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 374, 382, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 29 GLU- HN 30 ARG+ HN 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= 374, 389, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 29 GLU- HN 47 ILE QD1 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 675, 676, 677,
&end
#
# 29 GLU- QG 45 VAL HB 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 381, 382,
&end
#
# 29 GLU- QG 45 VAL QG1 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 381, 382,
igr2= 641, 642, 643,
&end
#
# 29 GLU- QG 47 ILE HB 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 666, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 381, 382,
&end
#
# 29 GLU- QG 47 ILE HN 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 662, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 381, 382,
&end
#
# 29 GLU- QG 47 ILE QD1 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 381, 382,
igr2= 675, 676, 677,
&end
#
# 29 GLU- QG 47 ILE QG1 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 381, 382,
igr2= 672, 673,
&end
#
# 29 GLU- HB2 30 ARG+ HN 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat= 378, 389, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 29 GLU- HB2 45 VAL QG1 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 641, 642, 643,
&end
#
# 29 GLU- HB2 47 ILE QD1 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 675, 676, 677,
&end
#
# 29 GLU- HB3 30 ARG+ HN 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= 379, 389, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 29 GLU- HB3 45 VAL HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 379, 637, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 GLU- HB3 45 VAL QG1 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 641, 642, 643,
&end
#
# 29 GLU- HB3 45 VAL QG2 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 645, 646, 647,
&end
#
# 29 GLU- HB3 47 ILE QD1 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 675, 676, 677,
&end
#
# 29 GLU- HG2 45 VAL HB 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 381, 639, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 29 GLU- HG2 45 VAL QG1 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 641, 642, 643,
&end
#
# 29 GLU- HG2 47 ILE HB 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 381, 666, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 29 GLU- HG2 47 ILE QD1 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 675, 676, 677,
&end
#
# 29 GLU- HG3 45 VAL HB 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 382, 639, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 29 GLU- HG3 45 VAL QG1 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= 382, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 641, 642, 643,
&end
#
# 29 GLU- HG3 47 ILE HB 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 382, 666, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 29 GLU- HG3 47 ILE QD1 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 382, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 675, 676, 677,
&end
#
# 30 ARG HA 33 ARG QB 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 448, 449,
&end
#
# 30 ARG+ HA 30 ARG+ QD 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 399, 400,
&end
#
# 30 ARG+ HA 30 ARG+ QG 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 396, 397,
&end
#
# 30 ARG+ HA 30 ARG+ HG2 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= 391, 396, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 30 ARG+ HA 30 ARG+ HG3 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= 391, 397, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 30 ARG+ HA 33 ARG+ HN 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 391, 444, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 30 ARG+ HA 33 ARG+ QB 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 448, 449,
&end
#
# 30 ARG+ HN 30 ARG+ QB 1.80 2.93
&rst
ixpk= 0, nxpk= 0, iat= 389, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2= 393, 394,
&end
#
# 30 ARG+ HN 30 ARG+ QD 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat= 389, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 399, 400,
&end
#
# 30 ARG+ HN 30 ARG+ QG 1.80 3.06
&rst
ixpk= 0, nxpk= 0, iat= 389, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2= 396, 397,
&end
#
# 30 ARG+ HN 30 ARG+ HB2 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= 389, 393, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 30 ARG+ HN 30 ARG+ HB3 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= 389, 394, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 30 ARG+ HN 31 ASP- HN 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 389, 413, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 30 ARG+ QB 30 ARG+ QD 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 393, 394,
igr2= 399, 400,
&end
#
# 30 ARG+ QB 31 ASP- HN 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 413, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr1= 393, 394,
&end
#
# 30 ARG+ QG 31 ASP- HN 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 413, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 396, 397,
&end
#
# 30 ARG+ HB2 31 ASP- HN 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= 393, 413, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 30 ARG+ HB3 31 ASP- HN 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= 394, 413, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 30 ARG+ HG2 31 ASP- HN 1.80 5.09
&rst
ixpk= 0, nxpk= 0, iat= 396, 413, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 30 ARG+ HG3 31 ASP- HN 1.80 5.09
&rst
ixpk= 0, nxpk= 0, iat= 397, 413, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 31 ASP- HA 34 GLU- HN 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= 415, 468, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 31 ASP- HA 34 GLU- QG 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 475, 476,
&end
#
# 31 ASP- HA 34 GLU- HB3 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 415, 473, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 31 ASP- HA 34 GLU- HG2 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 415, 475, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 31 ASP- HA 34 GLU- HG3 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 415, 476, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 31 ASP- HA 35 VAL HN 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 415, 483, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 31 ASP- HN 31 ASP- HB2 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat= 413, 417, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 31 ASP- HN 31 ASP- HB3 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= 413, 418, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 31 ASP- HN 32 LEU HN 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= 413, 425, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 31 ASP- HB2 32 LEU HN 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 417, 425, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 31 ASP- HB2 82 LEU QD1 1.80 5.03
&rst
ixpk= 0, nxpk= 0, iat= 417, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=1231,1232,1233,
&end
#
# 31 ASP- HB3 32 LEU HN 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= 418, 425, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 31 ASP- HB3 82 LEU QD1 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1231,1232,1233,
&end
#
# 32 LEU HA 32 LEU HG 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 427, 432, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 32 LEU HA 32 LEU QD1 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 434, 435, 436,
&end
#
# 32 LEU HA 32 LEU QD2 1.80 3.04
&rst
ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 438, 439, 440,
&end
#
# 32 LEU HA 35 VAL HB 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= 427, 487, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 32 LEU HA 35 VAL HN 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 427, 483, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 32 LEU HA 35 VAL QG2 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 493, 494, 495,
&end
#
# 32 LEU HA 36 PHE QD 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 507, 515,
&end
#
# 32 LEU HA 82 LEU QD1 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1231,1232,1233,
&end
#
# 32 LEU HA 82 LEU QD2 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1235,1236,1237,
&end
#
# 32 LEU HN 32 LEU HG 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= 425, 432, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 32 LEU HN 32 LEU HB2 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= 425, 429, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 32 LEU HN 32 LEU HB3 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 425, 430, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 32 LEU HN 32 LEU QD1 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 434, 435, 436,
&end
#
# 32 LEU HN 32 LEU QD2 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 438, 439, 440,
&end
#
# 32 LEU HN 33 ARG+ HN 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 425, 444, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 32 LEU HN 45 VAL QG1 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 641, 642, 643,
&end
#
# 32 LEU HB2 32 LEU QD1 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 434, 435, 436,
&end
#
# 32 LEU HB2 32 LEU QD2 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 438, 439, 440,
&end
#
# 32 LEU HB2 33 ARG+ HN 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= 429, 444, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 32 LEU HB2 45 VAL QG1 1.80 3.15
&rst
ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 641, 642, 643,
&end
#
# 32 LEU HB2 47 ILE QD1 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 675, 676, 677,
&end
#
# 32 LEU HB2 62 VAL QG2 1.80 5.07
&rst
ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 925, 926, 927,
&end
#
# 32 LEU HB3 32 LEU QD1 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 434, 435, 436,
&end
#
# 32 LEU HB3 32 LEU QD2 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 438, 439, 440,
&end
#
# 32 LEU HB3 33 ARG+ HN 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 430, 444, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 32 LEU HB3 45 VAL QG1 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 641, 642, 643,
&end
#
# 32 LEU HB3 62 VAL QG2 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 925, 926, 927,
&end
#
# 32 LEU QD1 36 PHE QE 1.80 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
igr1= 434, 435, 436,
igr2= 509, 513,
&end
#
# 32 LEU QD1 47 ILE QG1 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 434, 435, 436,
igr2= 672, 673,
&end
#
# 32 LEU QD1 60 ALA QB 1.80 3.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 434, 435, 436,
igr2= 889, 890, 891,
&end
#
# 32 LEU QD1 62 VAL QG2 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 434, 435, 436,
igr2= 925, 926, 927,
&end
#
# 32 LEU QD1 82 LEU QD2 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 434, 435, 436,
igr2=1235,1236,1237,
&end
#
# 32 LEU QD2 36 PHE QD 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 438, 439, 440,
igr2= 507, 515,
&end
#
# 32 LEU QD2 36 PHE QE 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 438, 439, 440,
igr2= 509, 513,
&end
#
# 33 ARG+ HA 33 ARG+ QD 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 454, 455,
&end
#
# 33 ARG+ HA 33 ARG+ HD2 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= 446, 454, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 33 ARG+ HA 33 ARG+ HD3 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= 446, 455, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 33 ARG+ HA 33 ARG+ HG2 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= 446, 451, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 33 ARG+ HA 33 ARG+ HG3 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= 446, 452, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 33 ARG+ HA 36 PHE HN 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= 446, 499, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 33 ARG+ HA 36 PHE QB 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 503, 504,
&end
#
# 33 ARG+ HA 42 ILE QD1 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 607, 608, 609,
&end
#
# 33 ARG+ HA 42 ILE QG2 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 600, 601, 602,
&end
#
# 33 ARG+ HA 45 VAL QG2 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 645, 646, 647,
&end
#
# 33 ARG+ HN 33 ARG+ QB 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2= 448, 449,
&end
#
# 33 ARG+ HN 33 ARG+ QG 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2= 451, 452,
&end
#
# 33 ARG+ HN 33 ARG+ HG2 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= 444, 451, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 33 ARG+ HN 33 ARG+ HG3 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= 444, 452, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 33 ARG+ HN 34 GLU- HN 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= 444, 468, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 33 ARG+ HN 45 VAL QG2 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 645, 646, 647,
&end
#
# 33 ARG+ QB 33 ARG+ QD 1.80 3.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 448, 449,
igr2= 454, 455,
&end
#
# 33 ARG+ QB 33 ARG+ HD2 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 454, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 448, 449,
&end
#
# 33 ARG+ QB 33 ARG+ HD3 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 455, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 448, 449,
&end
#
# 33 ARG+ QB 34 GLU- HN 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 468, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 448, 449,
&end
#
# 33 ARG+ QB 45 VAL QG2 1.80 3.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 448, 449,
igr2= 645, 646, 647,
&end
#
# 33 ARG+ QG 42 ILE QG2 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 451, 452,
igr2= 600, 601, 602,
&end
#
# 33 ARG+ QG 45 VAL QG2 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 451, 452,
igr2= 645, 646, 647,
&end
#
# 33 ARG+ HD2 45 VAL QG2 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 645, 646, 647,
&end
#
# 33 ARG+ HD3 45 VAL QG2 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 645, 646, 647,
&end
#
# 33 ARG+ HG2 42 ILE QG2 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 600, 601, 602,
&end
#
# 33 ARG+ HG2 45 VAL QG2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 645, 646, 647,
&end
#
# 33 ARG+ HG3 42 ILE QG2 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 600, 601, 602,
&end
#
# 33 ARG+ HG3 45 VAL QG2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 645, 646, 647,
&end
#
# 34 GLU HA 38 LYS HN 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 470, 530, r1= 2.50, r2= 3.00, r3= 6.00, r4= 6.50, &end
#
# 34 GLU- HA 34 GLU- QG 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 475, 476,
&end
#
# 34 GLU- HA 34 GLU- HG2 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 470, 475, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 34 GLU- HA 34 GLU- HG3 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 470, 476, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 34 GLU- HA 37 SER HG 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= 470, 526, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 34 GLU- HA 37 SER HN 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 470, 519, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 34 GLU- HN 34 GLU- QG 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat= 468, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 475, 476,
&end
#
# 34 GLU- HN 34 GLU- HB3 1.80 3.01
&rst
ixpk= 0, nxpk= 0, iat= 468, 473, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 34 GLU- HN 34 GLU- HG2 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 468, 475, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 34 GLU- HN 34 GLU- HG3 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 468, 476, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 34 GLU- HN 35 VAL HN 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= 468, 483, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 34 GLU- QG 35 VAL HA 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 475, 476,
&end
#
# 34 GLU- HB2 35 VAL HA 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= 472, 485, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 34 GLU- HB2 35 VAL HN 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 472, 483, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 34 GLU- HB2 35 VAL QG2 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 493, 494, 495,
&end
#
# 34 GLU- HB3 35 VAL HN 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= 473, 483, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 34 GLU- HB3 35 VAL QG2 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 493, 494, 495,
&end
#
# 34 GLU- HG2 35 VAL HA 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= 475, 485, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 34 GLU- HG2 35 VAL HN 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= 475, 483, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 34 GLU- HG3 35 VAL HA 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= 476, 485, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 34 GLU- HG3 35 VAL HN 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= 476, 483, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 35 VAL HA 35 VAL QG1 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 489, 490, 491,
&end
#
# 35 VAL HA 35 VAL QG2 1.80 2.92
&rst
ixpk= 0, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2= 493, 494, 495,
&end
#
# 35 VAL HA 38 LYS+ QE 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2= 543, 544,
&end
#
# 35 VAL HB 36 PHE HN 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= 487, 499, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 35 VAL HB 36 PHE QD 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 507, 515,
&end
#
# 35 VAL HB 82 LEU QD2 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1235,1236,1237,
&end
#
# 35 VAL HN 35 VAL HB 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat= 483, 487, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 35 VAL HN 35 VAL QG1 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 489, 490, 491,
&end
#
# 35 VAL HN 35 VAL QG2 1.80 3.03
&rst
ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 493, 494, 495,
&end
#
# 35 VAL HN 36 PHE HN 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= 483, 499, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 35 VAL QG1 36 PHE HA 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 501, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 489, 490, 491,
&end
#
# 35 VAL QG1 36 PHE HN 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 499, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 489, 490, 491,
&end
#
# 35 VAL QG1 36 PHE QD 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 489, 490, 491,
igr2= 507, 515,
&end
#
# 35 VAL QG1 36 PHE QE 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 489, 490, 491,
igr2= 509, 513,
&end
#
# 35 VAL QG1 38 LYS+ QE 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1= 489, 490, 491,
igr2= 543, 544,
&end
#
# 35 VAL QG1 39 TYR QE 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 489, 490, 491,
igr2= 562, 567,
&end
#
# 35 VAL QG1 77 ALA QB 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 489, 490, 491,
igr2=1163,1164,1165,
&end
#
# 35 VAL QG1 80 MET QE 1.80 2.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 489, 490, 491,
igr2=1201,1202,1203,
&end
#
# 35 VAL QG1 82 LEU QD2 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 489, 490, 491,
igr2=1235,1236,1237,
&end
#
# 35 VAL QG1 87 ILE QD1 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 489, 490, 491,
igr2=1321,1322,1323,
&end
#
# 35 VAL QG2 36 PHE HN 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 499, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 493, 494, 495,
&end
#
# 35 VAL QG2 80 MET QE 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 493, 494, 495,
igr2=1201,1202,1203,
&end
#
# 36 PHE HA 36 PHE QD 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= 501, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 507, 515,
&end
#
# 36 PHE HA 38 LYS+ HN 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 501, 530, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 36 PHE HA 39 TYR QD 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= 501, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2= 560, 569,
&end
#
# 36 PHE HA 39 TYR QE 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 501, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 562, 567,
&end
#
# 36 PHE HN 36 PHE QB 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= 499, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 503, 504,
&end
#
# 36 PHE HN 36 PHE QD 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= 499, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 507, 515,
&end
#
# 36 PHE HN 36 PHE HB2 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= 499, 503, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 36 PHE HN 36 PHE HB3 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= 499, 504, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 36 PHE HN 42 ILE QD1 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= 499, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 607, 608, 609,
&end
#
# 36 PHE HZ 77 ALA QB 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1163,1164,1165,
&end
#
# 36 PHE HZ 87 ILE QD1 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1321,1322,1323,
&end
#
# 36 PHE HZ 89 VAL QG2 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2=1361,1362,1363,
&end
#
# 36 PHE QB 64 PHE HZ 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 964, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 503, 504,
&end
#
# 36 PHE QB 64 PHE QE 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 503, 504,
igr2= 962, 966,
&end
#
# 36 PHE QD 39 TYR QD 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 507, 515,
igr2= 560, 569,
&end
#
# 36 PHE QD 42 ILE QD1 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 507, 515,
igr2= 607, 608, 609,
&end
#
# 36 PHE QD 62 VAL QG1 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 507, 515,
igr2= 921, 922, 923,
&end
#
# 36 PHE QD 62 VAL QG2 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 507, 515,
igr2= 925, 926, 927,
&end
#
# 36 PHE QD 73 ALA QB 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 507, 515,
igr2=1092,1093,1094,
&end
#
# 36 PHE QE 62 VAL QG2 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 509, 513,
igr2= 925, 926, 927,
&end
#
# 36 PHE QE 73 ALA QB 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 509, 513,
igr2=1092,1093,1094,
&end
#
# 36 PHE QE 77 ALA QB 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 509, 513,
igr2=1163,1164,1165,
&end
#
# 36 PHE QE 87 ILE QD1 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 509, 513,
igr2=1321,1322,1323,
&end
#
# 36 PHE QE 89 VAL QG1 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 509, 513,
igr2=1357,1358,1359,
&end
#
# 36 PHE HB2 42 ILE QD1 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 607, 608, 609,
&end
#
# 36 PHE HB2 62 VAL QG1 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 921, 922, 923,
&end
#
# 36 PHE HB2 64 PHE HZ 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 503, 964, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 36 PHE HB3 42 ILE QD1 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 607, 608, 609,
&end
#
# 36 PHE HB3 62 VAL QG1 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 921, 922, 923,
&end
#
# 36 PHE HB3 64 PHE HZ 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 504, 964, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 37 SER HA 40 GLY HN 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= 521, 573, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 37 SER HA 42 ILE QD1 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 607, 608, 609,
&end
#
# 37 SER HA 42 ILE QG1 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 604, 605,
&end
#
# 37 SER HA 42 ILE HG12 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 521, 604, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 37 SER HA 42 ILE HG13 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 521, 605, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 37 SER HN 35 VAL HA 4.00 100.00
&rst
ixpk= 0, nxpk= 0, iat= 519, 485, r1= 3.50, r2= 4.00, r3=100.00, r4=100.50, &end
#
# 37 SER HN 37 SER HG 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 519, 526, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 37 SER HN 37 SER HB2 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= 519, 523, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 37 SER HN 37 SER HB3 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= 519, 524, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 37 SER HN 38 LYS+ HN 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= 519, 530, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 37 SER HN 42 ILE QD1 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 519, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 607, 608, 609,
&end
#
# 37 SER QB 38 LYS+ HN 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 530, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 523, 524,
&end
#
# 37 SER QB 42 ILE QD1 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 523, 524,
igr2= 607, 608, 609,
&end
#
# 37 SER HB2 42 ILE QD1 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= 523, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 607, 608, 609,
&end
#
# 37 SER HB3 42 ILE QD1 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 607, 608, 609,
&end
#
# 38 LYS+ HA 38 LYS+ QB 1.80 2.89
&rst
ixpk= 0, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2= 534, 535,
&end
#
# 38 LYS+ HA 38 LYS+ QD 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 540, 541,
&end
#
# 38 LYS+ HA 38 LYS+ QG 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 537, 538,
&end
#
# 38 LYS+ HA 38 LYS+ HG2 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 532, 537, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 38 LYS+ HA 38 LYS+ HG3 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 532, 538, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 38 LYS+ HA 40 GLY HN 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 532, 573, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 38 LYS+ HN 38 LYS+ QB 1.80 3.07
&rst
ixpk= 0, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr2= 534, 535,
&end
#
# 38 LYS+ HN 38 LYS+ QD 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 540, 541,
&end
#
# 38 LYS+ HN 38 LYS+ QG 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 537, 538,
&end
#
# 38 LYS+ HN 38 LYS+ HG2 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 530, 537, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 38 LYS+ HN 38 LYS+ HG3 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 530, 538, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 38 LYS+ HN 39 TYR HN 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= 530, 552, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 38 LYS+ QB 38 LYS+ QE 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 534, 535,
igr2= 543, 544,
&end
#
# 38 LYS+ QB 39 TYR HN 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 552, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 534, 535,
&end
#
# 38 LYS+ QB 39 TYR QD 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 534, 535,
igr2= 560, 569,
&end
#
# 38 LYS+ QB 39 TYR QE 1.80 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 534, 535,
igr2= 562, 567,
&end
#
# 38 LYS+ QD 38 LYS+ QE 1.80 2.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 540, 541,
igr2= 543, 544,
&end
#
# 38 LYS+ QD 39 TYR QE 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 540, 541,
igr2= 562, 567,
&end
#
# 38 LYS+ QE 39 TYR QE 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 543, 544,
igr2= 562, 567,
&end
#
# 38 LYS+ QG 38 LYS+ QE 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 537, 538,
igr2= 543, 544,
&end
#
# 38 LYS+ QG 39 TYR HN 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 552, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 537, 538,
&end
#
# 38 LYS+ QG 39 TYR QD 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 537, 538,
igr2= 560, 569,
&end
#
# 38 LYS+ QG 39 TYR QE 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 537, 538,
igr2= 562, 567,
&end
#
# 38 LYS+ HG2 39 TYR QD 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat= 537, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 560, 569,
&end
#
# 38 LYS+ HG2 39 TYR QE 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= 537, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 562, 567,
&end
#
# 38 LYS+ HG3 39 TYR QD 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat= 538, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 560, 569,
&end
#
# 38 LYS+ HG3 39 TYR QE 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= 538, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 562, 567,
&end
#
# 39 TYR HA 39 TYR QD 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat= 554, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 560, 569,
&end
#
# 39 TYR HA 39 TYR QE 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= 554, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2= 562, 567,
&end
#
# 39 TYR HA 73 ALA QB 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 554, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1092,1093,1094,
&end
#
# 39 TYR HN 39 TYR QD 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 560, 569,
&end
#
# 39 TYR HN 39 TYR QE 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 562, 567,
&end
#
# 39 TYR HN 39 TYR HB2 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 552, 556, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 39 TYR HN 39 TYR HB3 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 552, 557, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 39 TYR HN 40 GLY HN 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat= 552, 573, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 39 TYR QB 40 GLY HN 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 573, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 556, 557,
&end
#
# 39 TYR QB 64 PHE QE 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 556, 557,
igr2= 962, 966,
&end
#
# 39 TYR QB 73 ALA QB 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1= 556, 557,
igr2=1092,1093,1094,
&end
#
# 39 TYR QD 72 GLU- HG2 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1080, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 560, 569,
&end
#
# 39 TYR QD 72 GLU- HG3 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1081, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 560, 569,
&end
#
# 39 TYR QD 73 ALA HA 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1090, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 560, 569,
&end
#
# 39 TYR QD 73 ALA QB 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 560, 569,
igr2=1092,1093,1094,
&end
#
# 39 TYR QD 76 ARG+ QD 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 560, 569,
igr2=1145,1146,
&end
#
# 39 TYR QD 76 ARG+ QG 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 560, 569,
igr2=1142,1143,
&end
#
# 39 TYR QE 72 GLU- HG3 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1081, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 562, 567,
&end
#
# 39 TYR QE 73 ALA HA 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1090, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 562, 567,
&end
#
# 39 TYR QE 73 ALA QB 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 562, 567,
igr2=1092,1093,1094,
&end
#
# 39 TYR QE 76 ARG+ QB 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 562, 567,
igr2=1139,1140,
&end
#
# 39 TYR QE 76 ARG+ QD 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 562, 567,
igr2=1145,1146,
&end
#
# 39 TYR QE 76 ARG+ QG 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 562, 567,
igr2=1142,1143,
&end
#
# 39 TYR QE 76 ARG+ HB2 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1139, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 562, 567,
&end
#
# 39 TYR QE 76 ARG+ HB3 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1140, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 562, 567,
&end
#
# 39 TYR QE 77 ALA QB 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 562, 567,
igr2=1163,1164,1165,
&end
#
# 39 TYR QE 80 MET QE 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 562, 567,
igr2=1201,1202,1203,
&end
#
# 39 TYR HB2 40 GLY HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 556, 573, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 39 TYR HB2 73 ALA QB 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= 556, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1092,1093,1094,
&end
#
# 39 TYR HB3 40 GLY HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 557, 573, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 39 TYR HB3 73 ALA QB 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1092,1093,1094,
&end
#
# 39 TYR HD1 73 ALA HA 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 560,1090, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 39 TYR HD2 73 ALA HA 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 569,1090, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 39 TYR HE1 73 ALA HA 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 562,1090, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 39 TYR HE2 73 ALA HA 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 567,1090, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 40 GLY HN 42 ILE QD1 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 607, 608, 609,
&end
#
# 40 GLY QA 41 PROO QD 1.80 2.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr1= 575, 576,
igr2= 581, 582,
&end
#
# 41 PROO HA 41 PROO QG 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 584, 585,
&end
#
# 41 PROO HA 42 ILE HB 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 590, 598, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 41 PROO HA 42 ILE HN 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= 590, 594, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 41 PROO QD 41 PROO QB 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 581, 582,
igr2= 587, 588,
&end
#
# 41 PROO QD 41 PROO QG 1.80 2.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr1= 581, 582,
igr2= 584, 585,
&end
#
# 41 PROO HB2 42 ILE HN 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 587, 594, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 41 PROO HB3 42 ILE HN 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 588, 594, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 41 PROO HD2 41 PROO HB2 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 581, 587, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 41 PROO HD2 41 PROO HB3 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 581, 588, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 41 PROO HD2 41 PROO HG2 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 581, 584, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 41 PROO HD2 41 PROO HG3 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 581, 585, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 41 PROO HD3 41 PROO HB2 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 582, 587, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 41 PROO HD3 41 PROO HB3 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 582, 588, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 41 PROO HD3 41 PROO HG2 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 582, 584, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 41 PROO HD3 41 PROO HG3 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 582, 585, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 42 ILE HA 42 ILE QD1 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 596, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 607, 608, 609,
&end
#
# 42 ILE HA 42 ILE QG1 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= 596, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 604, 605,
&end
#
# 42 ILE HA 42 ILE QG2 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= 596, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 600, 601, 602,
&end
#
# 42 ILE HA 64 PHE HA 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 596, 954, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 42 ILE HA 65 GLU- HN 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 596, 972, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 42 ILE HB 42 ILE QD1 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= 598, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 607, 608, 609,
&end
#
# 42 ILE HN 42 ILE HB 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= 594, 598, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 42 ILE HN 42 ILE HG12 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 594, 604, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 42 ILE HN 42 ILE HG13 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 594, 605, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 42 ILE QD1 45 VAL QG2 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 607, 608, 609,
igr2= 645, 646, 647,
&end
#
# 42 ILE QD1 64 PHE HA 1.80 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 954, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 607, 608, 609,
&end
#
# 42 ILE QD1 64 PHE QD 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1= 607, 608, 609,
igr2= 960, 968,
&end
#
# 42 ILE QD1 64 PHE QE 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 607, 608, 609,
igr2= 962, 966,
&end
#
# 42 ILE QG2 42 ILE HG12 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 604, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 600, 601, 602,
&end
#
# 42 ILE QG2 42 ILE HG13 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 605, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 600, 601, 602,
&end
#
# 42 ILE QG2 43 ALA HA 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 615, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 600, 601, 602,
&end
#
# 42 ILE QG2 43 ALA HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 613, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 600, 601, 602,
&end
#
# 42 ILE QG2 44 ASP- HA 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 600, 601, 602,
&end
#
# 42 ILE QG2 44 ASP- HN 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 623, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 600, 601, 602,
&end
#
# 42 ILE QG2 45 VAL HA 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 637, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 600, 601, 602,
&end
#
# 42 ILE QG2 45 VAL QG2 1.80 3.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 600, 601, 602,
igr2= 645, 646, 647,
&end
#
# 42 ILE QG2 62 VAL QG1 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 600, 601, 602,
igr2= 921, 922, 923,
&end
#
# 42 ILE QG2 63 TYR HN 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 931, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 600, 601, 602,
&end
#
# 42 ILE QG2 64 PHE HA 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 954, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 600, 601, 602,
&end
#
# 43 ALA HA 65 GLU- HG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 615, 979, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 ALA HA 65 GLU- HG3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 615, 980, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 ALA HN 43 ALA QB 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= 613, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 617, 618, 619,
&end
#
# 43 ALA HN 44 ASP- HN 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 613, 623, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 43 ALA HN 64 PHE HA 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= 613, 954, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 43 ALA QB 44 ASP- HN 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 623, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 617, 618, 619,
&end
#
# 43 ALA QB 44 ASP- QB 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 617, 618, 619,
igr2= 627, 628,
&end
#
# 43 ALA QB 44 ASP- HB2 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 617, 618, 619,
&end
#
# 43 ALA QB 44 ASP- HB3 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 628, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 617, 618, 619,
&end
#
# 43 ALA QB 63 TYR HB2 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 617, 618, 619,
&end
#
# 43 ALA QB 63 TYR HB3 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 936, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 617, 618, 619,
&end
#
# 43 ALA QB 65 GLU- HA 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 974, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 617, 618, 619,
&end
#
# 43 ALA QB 65 GLU- QG 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 617, 618, 619,
igr2= 979, 980,
&end
#
# 43 ALA QB 65 GLU- HG2 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 979, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 617, 618, 619,
&end
#
# 43 ALA QB 65 GLU- HG3 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 617, 618, 619,
&end
#
# 44 ASP- HA 45 VAL HB 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat= 625, 639, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 44 ASP- HA 45 VAL HN 1.80 3.09
&rst
ixpk= 0, nxpk= 0, iat= 625, 635, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 44 ASP- HA 45 VAL QG2 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 645, 646, 647,
&end
#
# 44 ASP- HN 62 VAL QG1 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 921, 922, 923,
&end
#
# 44 ASP- HN 63 TYR HN 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= 623, 931, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 44 ASP- HN 63 TYR QB 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 935, 936,
&end
#
# 44 ASP- HN 64 PHE HA 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 623, 954, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 44 ASP- QB 45 VAL HN 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 627, 628,
&end
#
# 44 ASP- QB 63 TYR QD 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 627, 628,
igr2= 939, 948,
&end
#
# 44 ASP- HB2 45 VAL HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 627, 635, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 44 ASP- HB2 63 TYR QD 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 939, 948,
&end
#
# 44 ASP- HB3 45 VAL HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 628, 635, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 44 ASP- HB3 63 TYR QD 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 939, 948,
&end
#
# 45 VAL HA 45 VAL QG1 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 641, 642, 643,
&end
#
# 45 VAL HA 45 VAL QG2 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 645, 646, 647,
&end
#
# 45 VAL HA 46 SER HN 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= 637, 651, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 45 VAL HA 62 VAL HA 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 637, 917, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 45 VAL HA 62 VAL QG2 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 925, 926, 927,
&end
#
# 45 VAL HA 63 TYR HN 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= 637, 931, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 45 VAL HB 62 VAL QG2 1.80 5.45
&rst
ixpk= 0, nxpk= 0, iat= 639, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2= 925, 926, 927,
&end
#
# 45 VAL HN 45 VAL HA 2.50 100.00
&rst
ixpk= 0, nxpk= 0, iat= 635, 637, r1= 2.00, r2= 2.50, r3=100.00, r4=100.50, &end
#
# 45 VAL HN 45 VAL HB 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 635, 639, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 45 VAL HN 45 VAL QG2 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 645, 646, 647,
&end
#
# 45 VAL QG1 46 SER HN 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 641, 642, 643,
&end
#
# 45 VAL QG1 62 VAL HA 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 641, 642, 643,
&end
#
# 45 VAL QG1 62 VAL QG2 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 641, 642, 643,
igr2= 925, 926, 927,
&end
#
# 45 VAL QG2 62 VAL HA 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 645, 646, 647,
&end
#
# 45 VAL QG2 62 VAL QG1 1.80 3.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 645, 646, 647,
igr2= 921, 922, 923,
&end
#
# 45 VAL QG2 63 TYR HN 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 931, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 645, 646, 647,
&end
#
# 46 SER HA 47 ILE HN 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= 653, 662, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 46 SER HN 46 SER QB 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= 651, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 655, 656,
&end
#
# 46 SER HN 46 SER HB2 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 651, 655, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 46 SER HN 46 SER HB3 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 651, 656, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 46 SER HN 61 PHE HN 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= 651, 895, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 46 SER HN 62 VAL HA 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat= 651, 917, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 46 SER QB 47 ILE HN 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 662, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 655, 656,
&end
#
# 46 SER QB 61 PHE HN 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 895, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 655, 656,
&end
#
# 46 SER QB 61 PHE QB 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 655, 656,
igr2= 899, 900,
&end
#
# 46 SER QB 61 PHE QD 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 655, 656,
igr2= 903, 911,
&end
#
# 46 SER HB2 47 ILE HN 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 655, 662, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 46 SER HB3 47 ILE HN 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 656, 662, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 47 ILE HA 47 ILE QG1 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 672, 673,
&end
#
# 47 ILE HA 47 ILE QG2 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 668, 669, 670,
&end
#
# 47 ILE HA 47 ILE HG12 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 664, 672, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 47 ILE HA 47 ILE HG13 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 664, 673, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 47 ILE HA 48 VAL HN 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= 664, 681, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 47 ILE HA 48 VAL QG2 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 691, 692, 693,
&end
#
# 47 ILE HA 60 ALA HA 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= 664, 887, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 47 ILE HA 60 ALA QB 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 889, 890, 891,
&end
#
# 47 ILE HA 61 PHE HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 664, 895, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 47 ILE HB 47 ILE QD1 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= 666, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 675, 676, 677,
&end
#
# 47 ILE HB 49 TYR QD 1.80 5.04
&rst
ixpk= 0, nxpk= 0, iat= 666, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 705, 714,
&end
#
# 47 ILE HB 49 TYR QE 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= 666, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 707, 712,
&end
#
# 47 ILE HN 47 ILE HB 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= 662, 666, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 47 ILE HN 47 ILE QD1 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 662, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 675, 676, 677,
&end
#
# 47 ILE HN 47 ILE QG1 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= 662, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 672, 673,
&end
#
# 47 ILE HN 47 ILE QG2 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 662, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 668, 669, 670,
&end
#
# 47 ILE HN 47 ILE HG12 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 662, 672, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 47 ILE HN 47 ILE HG13 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 662, 673, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 47 ILE HN 49 TYR QE 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= 662, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2= 707, 712,
&end
#
# 47 ILE QD1 49 TYR QE 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 675, 676, 677,
igr2= 707, 712,
&end
#
# 47 ILE QG1 48 VAL HN 1.80 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 681, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 672, 673,
&end
#
# 47 ILE QG1 60 ALA QB 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 672, 673,
igr2= 889, 890, 891,
&end
#
# 47 ILE QG2 47 ILE QG1 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 668, 669, 670,
igr2= 672, 673,
&end
#
# 47 ILE QG2 47 ILE HG12 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 668, 669, 670,
&end
#
# 47 ILE QG2 47 ILE HG13 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 673, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 668, 669, 670,
&end
#
# 47 ILE QG2 48 VAL HN 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 681, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 668, 669, 670,
&end
#
# 47 ILE QG2 49 TYR QD 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 668, 669, 670,
igr2= 705, 714,
&end
#
# 47 ILE QG2 49 TYR QE 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 668, 669, 670,
igr2= 707, 712,
&end
#
# 47 ILE QG2 56 SER HA 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 825, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 668, 669, 670,
&end
#
# 47 ILE QG2 56 SER HG 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 830, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 668, 669, 670,
&end
#
# 47 ILE QG2 56 SER HB2 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 668, 669, 670,
&end
#
# 47 ILE QG2 56 SER HB3 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 828, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 668, 669, 670,
&end
#
# 47 ILE QG2 60 ALA QB 1.80 3.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 668, 669, 670,
igr2= 889, 890, 891,
&end
#
# 48 VAL HA 48 VAL QG1 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat= 683, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 687, 688, 689,
&end
#
# 48 VAL HA 48 VAL QG2 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= 683, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 691, 692, 693,
&end
#
# 48 VAL HA 49 TYR HN 1.80 3.19
&rst
ixpk= 0, nxpk= 0, iat= 683, 697, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 48 VAL HA 49 TYR QD 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 683, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 705, 714,
&end
#
# 48 VAL HA 49 TYR HB2 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 683, 701, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 48 VAL HB 49 TYR HN 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 685, 697, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 48 VAL HB 59 PHE HN 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= 685, 865, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 48 VAL HB 61 PHE QD 1.80 5.48
&rst
ixpk= 0, nxpk= 0, iat= 685, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2= 903, 911,
&end
#
# 48 VAL HB 61 PHE QE 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 685, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 905, 909,
&end
#
# 48 VAL HN 48 VAL HB 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 681, 685, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 48 VAL HN 48 VAL QG1 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= 681, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 687, 688, 689,
&end
#
# 48 VAL HN 48 VAL QG2 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= 681, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 691, 692, 693,
&end
#
# 48 VAL HN 59 PHE HN 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 681, 865, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 48 VAL HN 60 ALA HA 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= 681, 887, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 48 VAL HN 60 ALA QB 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= 681, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 889, 890, 891,
&end
#
# 48 VAL QG1 49 TYR HN 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 697, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 687, 688, 689,
&end
#
# 48 VAL QG1 57 ARG+ HE 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 847, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 687, 688, 689,
&end
#
# 48 VAL QG1 57 ARG+ QB 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 687, 688, 689,
igr2= 838, 839,
&end
#
# 48 VAL QG1 57 ARG+ QD 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 687, 688, 689,
igr2= 844, 845,
&end
#
# 48 VAL QG1 57 ARG+ QG 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 687, 688, 689,
igr2= 841, 842,
&end
#
# 48 VAL QG1 57 ARG+ HB2 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 687, 688, 689,
&end
#
# 48 VAL QG1 57 ARG+ HB3 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 687, 688, 689,
&end
#
# 48 VAL QG1 57 ARG+ HD2 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 844, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 687, 688, 689,
&end
#
# 48 VAL QG1 57 ARG+ HD3 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 687, 688, 689,
&end
#
# 48 VAL QG1 59 PHE HZ 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 877, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 687, 688, 689,
&end
#
# 48 VAL QG1 59 PHE QE 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 687, 688, 689,
igr2= 875, 879,
&end
#
# 48 VAL QG2 49 TYR HN 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 697, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 691, 692, 693,
&end
#
# 48 VAL QG2 59 PHE QD 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 691, 692, 693,
igr2= 873, 881,
&end
#
# 48 VAL QG2 59 PHE QE 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 691, 692, 693,
igr2= 875, 879,
&end
#
# 48 VAL QG2 60 ALA HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 887, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 691, 692, 693,
&end
#
# 48 VAL QG2 61 PHE QD 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 691, 692, 693,
igr2= 903, 911,
&end
#
# 48 VAL QG2 61 PHE QE 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 691, 692, 693,
igr2= 905, 909,
&end
#
# 49 TYR HA 49 TYR QD 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 705, 714,
&end
#
# 49 TYR HA 50 ASP- HN 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= 699, 718, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 49 TYR HA 56 SER HA 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= 699, 825, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 49 TYR HA 57 ARG HN 2.50 100.00
&rst
ixpk= 0, nxpk= 0, iat= 699, 834, r1= 2.00, r2= 2.50, r3=100.00, r4=100.50, &end
#
# 49 TYR HA 57 ARG+ HN 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 699, 834, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 49 TYR HA 57 ARG+ QG 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 841, 842,
&end
#
# 49 TYR HN 49 TYR QD 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= 697, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 705, 714,
&end
#
# 49 TYR HN 49 TYR HB2 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= 697, 701, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 49 TYR HN 49 TYR HB3 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 697, 702, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 49 TYR QD 50 ASP- HN 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 718, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 705, 714,
&end
#
# 49 TYR QD 55 ARG+ HA 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 801, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 705, 714,
&end
#
# 49 TYR QD 56 SER HA 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 825, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 705, 714,
&end
#
# 49 TYR QD 56 SER HN 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 823, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 705, 714,
&end
#
# 49 TYR QD 56 SER HB2 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 705, 714,
&end
#
# 49 TYR QE 55 ARG+ HA 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 801, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 707, 712,
&end
#
# 49 TYR QE 56 SER HA 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 825, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 707, 712,
&end
#
# 49 TYR QE 56 SER HN 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 823, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 707, 712,
&end
#
# 49 TYR QE 56 SER HB2 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1= 707, 712,
&end
#
# 49 TYR HB2 50 ASP- HN 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 701, 718, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 49 TYR HB2 54 ARG+ HA 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 701, 777, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 49 TYR HB3 50 ASP- HN 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= 702, 718, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 49 TYR HB3 54 ARG+ HA 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 702, 777, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 49 TYR HB3 55 ARG+ HN 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 702, 799, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 49 TYR HB3 56 SER HA 1.80 5.05
&rst
ixpk= 0, nxpk= 0, iat= 702, 825, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 50 ASP- HA 51 GLN HN 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat= 720, 730, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 50 ASP- HA 51 GLN HB2 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= 720, 734, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 50 ASP- HA 52 GLN HN 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat= 720, 747, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 50 ASP- HA 57 ARG+ QD 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= 720, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 844, 845,
&end
#
# 50 ASP- HA 57 ARG+ QG 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 720, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 841, 842,
&end
#
# 50 ASP- HA 57 ARG+ HD2 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= 720, 844, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 50 ASP- HA 57 ARG+ HD3 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= 720, 845, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 50 ASP- HN 50 ASP- HB2 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= 718, 722, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 50 ASP- HN 50 ASP- HB3 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= 718, 723, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 50 ASP- HN 55 ARG+ HN 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 718, 799, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 50 ASP- HN 56 SER HA 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 718, 825, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 50 ASP- HN 57 ARG+ QG 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 718, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 841, 842,
&end
#
# 50 ASP- QB 51 GLN HN 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 730, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 722, 723,
&end
#
# 50 ASP- QB 52 GLN HN 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 747, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 722, 723,
&end
#
# 50 ASP- QB 53 SER HN 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 764, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 722, 723,
&end
#
# 50 ASP- QB 53 SER QB 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 722, 723,
igr2= 768, 769,
&end
#
# 50 ASP- QB 54 ARG+ HA 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 777, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 722, 723,
&end
#
# 50 ASP- QB 54 ARG+ HN 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 775, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 722, 723,
&end
#
# 50 ASP- QB 55 ARG+ HN 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 799, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1= 722, 723,
&end
#
# 50 ASP- QB 57 ARG+ QD 1.80 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 722, 723,
igr2= 844, 845,
&end
#
# 50 ASP- QB 57 ARG+ QG 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 722, 723,
igr2= 841, 842,
&end
#
# 50 ASP- HB2 52 GLN HN 1.80 5.13
&rst
ixpk= 0, nxpk= 0, iat= 722, 747, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 50 ASP- HB3 52 GLN HN 1.80 5.13
&rst
ixpk= 0, nxpk= 0, iat= 723, 747, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 51 GLN HA 51 GLN QG 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= 732, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 737, 738,
&end
#
# 51 GLN HA 54 ARG+ HN 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 732, 775, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 51 GLN HA 54 ARG+ QD 1.80 5.29
&rst
ixpk= 0, nxpk= 0, iat= 732, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 785, 786,
&end
#
# 51 GLN HN 51 GLN QG 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 730, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 737, 738,
&end
#
# 51 GLN HN 51 GLN HB2 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= 730, 734, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 51 GLN HN 51 GLN HB3 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= 730, 735, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 51 GLN HN 52 GLN HN 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= 730, 747, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 51 GLN HN 57 ARG+ QD 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 730, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 844, 845,
&end
#
# 51 GLN HB3 52 GLN HN 1.80 3.17
&rst
ixpk= 0, nxpk= 0, iat= 735, 747, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 52 GLN HA 52 GLN QB 1.80 2.82
&rst
ixpk= 0, nxpk= 0, iat= 749, -1, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
igr2= 751, 752,
&end
#
# 52 GLN HA 52 GLN QG 1.80 2.99
&rst
ixpk= 0, nxpk= 0, iat= 749, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 754, 755,
&end
#
# 52 GLN HA 52 GLN HG2 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= 749, 754, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 52 GLN HA 52 GLN HG3 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= 749, 755, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 52 GLN HN 52 GLN QB 1.80 3.10
&rst
ixpk= 0, nxpk= 0, iat= 747, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 751, 752,
&end
#
# 52 GLN HN 52 GLN HG2 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= 747, 754, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 52 GLN HN 52 GLN HG3 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= 747, 755, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 52 GLN HN 54 ARG+ HA 1.80 5.44
&rst
ixpk= 0, nxpk= 0, iat= 747, 777, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 52 GLN HN 54 ARG+ HG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 747, 782, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 GLN HN 54 ARG+ HG3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 747, 783, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 GLN QB 53 SER HA 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 751, 752,
&end
#
# 52 GLN QB 53 SER HN 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 764, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr1= 751, 752,
&end
#
# 53 SER HN 53 SER HB2 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= 764, 768, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 53 SER HN 53 SER HB3 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= 764, 769, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 53 SER HN 54 ARG+ HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 764, 777, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 SER HN 54 ARG+ HN 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= 764, 775, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 53 SER HN 54 ARG+ HG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 764, 782, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 SER HN 54 ARG+ HG3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 764, 783, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 SER HN 55 ARG+ HN 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 764, 799, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 53 SER QB 55 ARG+ HN 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 799, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 768, 769,
&end
#
# 53 SER QB 55 ARG+ QB 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 768, 769,
igr2= 803, 804,
&end
#
# 53 SER QB 55 ARG+ QD 1.80 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 768, 769,
igr2= 809, 810,
&end
#
# 53 SER QB 55 ARG+ QG 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 768, 769,
igr2= 806, 807,
&end
#
# 53 SER HB2 55 ARG+ HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 768, 799, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 53 SER HB3 55 ARG+ HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 769, 799, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 54 ARG+ HA 54 ARG+ QD 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 777, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 785, 786,
&end
#
# 54 ARG+ HA 54 ARG+ QG 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat= 777, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 782, 783,
&end
#
# 54 ARG+ HA 54 ARG+ HG2 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= 777, 782, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 54 ARG+ HA 54 ARG+ HG3 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= 777, 783, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 54 ARG+ HN 54 ARG+ QG 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= 775, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 782, 783,
&end
#
# 54 ARG+ HN 54 ARG+ HG2 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 775, 782, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 54 ARG+ HN 54 ARG+ HG3 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 775, 783, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 54 ARG+ HN 55 ARG+ HN 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= 775, 799, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 54 ARG+ QB 54 ARG+ QD 1.80 2.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1= 779, 780,
igr2= 785, 786,
&end
#
# 54 ARG+ HB2 54 ARG+ HD2 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 779, 785, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 54 ARG+ HB2 54 ARG+ HD3 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 779, 786, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 54 ARG+ HB3 54 ARG+ HD2 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 780, 785, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 54 ARG+ HB3 54 ARG+ HD3 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 780, 786, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 55 ARG+ HA 55 ARG+ QD 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 801, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 809, 810,
&end
#
# 55 ARG+ HA 55 ARG+ QG 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= 801, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 806, 807,
&end
#
# 55 ARG+ HA 56 SER HN 1.80 3.13
&rst
ixpk= 0, nxpk= 0, iat= 801, 823, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 55 ARG+ HA 56 SER HB3 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 801, 828, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 55 ARG+ HN 55 ARG+ QB 1.80 3.08
&rst
ixpk= 0, nxpk= 0, iat= 799, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2= 803, 804,
&end
#
# 55 ARG+ HN 55 ARG+ QD 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= 799, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 809, 810,
&end
#
# 55 ARG+ HN 55 ARG+ QG 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= 799, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2= 806, 807,
&end
#
# 55 ARG+ HN 55 ARG+ HB2 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= 799, 803, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 55 ARG+ HN 55 ARG+ HB3 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= 799, 804, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 55 ARG+ QB 55 ARG+ QD 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 803, 804,
igr2= 809, 810,
&end
#
# 55 ARG+ QB 56 SER HN 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 823, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 803, 804,
&end
#
# 55 ARG+ QG 56 SER HN 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 823, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 806, 807,
&end
#
# 55 ARG+ HB2 55 ARG+ QD 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 803, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 809, 810,
&end
#
# 55 ARG+ HB2 56 SER HN 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= 803, 823, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 55 ARG+ HB3 55 ARG+ QD 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 804, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 809, 810,
&end
#
# 55 ARG+ HB3 56 SER HN 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= 804, 823, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 56 SER HG 58 GLY HN 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 830, 858, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 56 SER HN 56 SER HG 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= 823, 830, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 56 SER HN 56 SER HB2 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat= 823, 827, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 56 SER HN 56 SER HB3 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= 823, 828, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 57 ARG+ HA 57 ARG+ QD 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 836, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 844, 845,
&end
#
# 57 ARG+ HA 57 ARG+ QG 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat= 836, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 841, 842,
&end
#
# 57 ARG+ HA 57 ARG+ HD2 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 836, 844, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 57 ARG+ HA 57 ARG+ HD3 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 836, 845, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 57 ARG+ HN 57 ARG+ QD 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 834, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 844, 845,
&end
#
# 57 ARG+ HN 57 ARG+ QG 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 834, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 841, 842,
&end
#
# 57 ARG+ QB 58 GLY HA3 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 838, 839,
&end
#
# 57 ARG+ QB 59 PHE QD 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 838, 839,
igr2= 873, 881,
&end
#
# 57 ARG+ QB 59 PHE QE 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 838, 839,
igr2= 875, 879,
&end
#
# 57 ARG+ QD 59 PHE QE 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 844, 845,
igr2= 875, 879,
&end
#
# 57 ARG+ HB2 59 PHE HN 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 838, 865, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 57 ARG+ HB2 59 PHE QE 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 875, 879,
&end
#
# 57 ARG+ HB3 59 PHE HN 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 839, 865, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 57 ARG+ HB3 59 PHE QE 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= 839, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 875, 879,
&end
#
# 57 ARG+ HD2 59 PHE QE 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat= 844, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 875, 879,
&end
#
# 57 ARG+ HD3 59 PHE QE 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 875, 879,
&end
#
# 58 GLY HN 59 PHE HN 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= 858, 865, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 59 PHE HN 59 PHE QD 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= 865, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 873, 881,
&end
#
# 59 PHE QD 60 ALA HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 885, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 873, 881,
&end
#
# 59 PHE QE 61 PHE QE 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 875, 879,
igr2= 905, 909,
&end
#
# 59 PHE HB2 60 ALA HN 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= 869, 885, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 59 PHE HB3 60 ALA HN 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= 870, 885, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 60 ALA HN 60 ALA QB 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat= 885, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 889, 890, 891,
&end
#
# 60 ALA QB 61 PHE HN 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 895, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 889, 890, 891,
&end
#
# 60 ALA QB 62 VAL QG2 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 889, 890, 891,
igr2= 925, 926, 927,
&end
#
# 61 PHE HN 61 PHE QD 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 895, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 903, 911,
&end
#
# 61 PHE QB 63 TYR QE 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 899, 900,
igr2= 941, 946,
&end
#
# 61 PHE HB2 63 TYR QE 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 899, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 941, 946,
&end
#
# 61 PHE HB3 63 TYR QE 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 900, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 941, 946,
&end
#
# 62 VAL HA 62 VAL QG1 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= 917, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 921, 922, 923,
&end
#
# 62 VAL HA 62 VAL QG2 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= 917, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 925, 926, 927,
&end
#
# 62 VAL HA 63 TYR QD 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat= 917, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 939, 948,
&end
#
# 62 VAL HN 62 VAL HB 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 915, 919, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 62 VAL HN 62 VAL QG1 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 915, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 921, 922, 923,
&end
#
# 62 VAL HN 62 VAL QG2 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= 915, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 925, 926, 927,
&end
#
# 62 VAL QG1 63 TYR HN 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 931, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 921, 922, 923,
&end
#
# 62 VAL QG1 64 PHE QD 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 921, 922, 923,
igr2= 960, 968,
&end
#
# 62 VAL QG1 64 PHE QE 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 921, 922, 923,
igr2= 962, 966,
&end
#
# 63 TYR HN 63 TYR QD 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 931, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 939, 948,
&end
#
# 64 PHE HA 64 PHE QD 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 954, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 960, 968,
&end
#
# 64 PHE HN 64 PHE HA 2.50 100.00
&rst
ixpk= 0, nxpk= 0, iat= 952, 954, r1= 2.00, r2= 2.50, r3=100.00, r4=100.50, &end
#
# 64 PHE HN 64 PHE QD 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 952, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 960, 968,
&end
#
# 64 PHE HZ 73 ALA QB 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= 964, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1092,1093,1094,
&end
#
# 64 PHE QB 70 ALA QB 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 956, 957,
igr2=1045,1046,1047,
&end
#
# 64 PHE QD 69 ASP- QB 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 960, 968,
igr2=1033,1034,
&end
#
# 64 PHE QD 70 ALA HA 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 960, 968,
&end
#
# 64 PHE QD 70 ALA QB 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 960, 968,
igr2=1045,1046,1047,
&end
#
# 64 PHE QE 73 ALA QB 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 962, 966,
igr2=1092,1093,1094,
&end
#
# 64 PHE HD1 70 ALA HA 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 960,1043, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 64 PHE HD2 70 ALA HA 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 968,1043, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 64 PHE HE1 70 ALA HA 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 962,1043, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 64 PHE HE2 70 ALA HA 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 966,1043, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 65 GLU- HA 65 GLU- QG 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat= 974, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 979, 980,
&end
#
# 65 GLU- HA 65 GLU- HG2 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= 974, 979, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 65 GLU- HA 65 GLU- HG3 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= 974, 980, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 65 GLU- HN 65 GLU- QG 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 972, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 979, 980,
&end
#
# 65 GLU- HN 65 GLU- HG2 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat= 972, 979, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 65 GLU- HN 65 GLU- HG3 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat= 972, 980, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 65 GLU- HN 66 ASN HN 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= 972, 987, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 66 ASN HA 67 VAL QG1 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 989, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2=1007,1008,1009,
&end
#
# 66 ASN QB 66 ASN QD2 1.80 3.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1= 991, 992,
igr2= 996, 997,
&end
#
# 66 ASN QB 67 VAL HN 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1001, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 991, 992,
&end
#
# 67 VAL HA 67 VAL QG1 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat=1003, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1007,1008,1009,
&end
#
# 67 VAL HA 67 VAL QG2 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat=1003, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2=1011,1012,1013,
&end
#
# 67 VAL HA 70 ALA HN 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat=1003,1041, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 67 VAL HA 70 ALA QB 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat=1003, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1045,1046,1047,
&end
#
# 67 VAL HN 67 VAL HB 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat=1001,1005, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 67 VAL HN 67 VAL QG1 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1007,1008,1009,
&end
#
# 67 VAL HN 68 ASP- HN 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat=1001,1017, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 67 VAL QG1 68 ASP- HA 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1,1019, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1007,1008,1009,
&end
#
# 67 VAL QG1 68 ASP- HN 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1=1007,1008,1009,
&end
#
# 67 VAL QG1 71 LYS+ QD 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1007,1008,1009,
igr2=1061,1062,
&end
#
# 67 VAL QG1 71 LYS+ QE 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=1007,1008,1009,
igr2=1064,1065,
&end
#
# 67 VAL QG2 68 ASP- HN 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=1011,1012,1013,
&end
#
# 67 VAL QG2 71 LYS+ QD 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=1011,1012,1013,
igr2=1061,1062,
&end
#
# 67 VAL QG2 71 LYS+ QE 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=1011,1012,1013,
igr2=1064,1065,
&end
#
# 67 VAL QG2 71 LYS+ QG 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1011,1012,1013,
igr2=1058,1059,
&end
#
# 68 ASP HA 68 ASP HN 2.50 100.00
&rst
ixpk= 0, nxpk= 0, iat=1019,1017, r1= 2.00, r2= 2.50, r3=100.00, r4=100.50, &end
#
# 68 ASP- HA 71 LYS+ HN 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat=1019,1051, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 68 ASP- HA 71 LYS+ QD 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat=1019, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=1061,1062,
&end
#
# 68 ASP- HA 71 LYS+ QE 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat=1019, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1064,1065,
&end
#
# 68 ASP- HA 71 LYS+ HB2 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1019,1055, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 68 ASP- HA 71 LYS+ HB3 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat=1019,1056, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 68 ASP- HN 68 ASP- HB2 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat=1017,1021, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 68 ASP- HN 68 ASP- HB3 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat=1017,1022, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 68 ASP- HN 69 ASP- HN 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat=1017,1029, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 68 ASP- QB 69 ASP- HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1029, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1021,1022,
&end
#
# 68 ASP- HB2 69 ASP- HN 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat=1021,1029, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 68 ASP- HB3 69 ASP- HN 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat=1022,1029, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 69 ASP- HA 72 GLU- HN 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat=1031,1073, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 69 ASP- HA 72 GLU- QB 1.80 3.05
&rst
ixpk= 0, nxpk= 0, iat=1031, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2=1077,1078,
&end
#
# 69 ASP- HA 72 GLU- HB2 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat=1031,1077, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 69 ASP- HA 72 GLU- HB3 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat=1031,1078, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 69 ASP- HA 72 GLU- HG2 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat=1031,1080, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 69 ASP- HA 72 GLU- HG3 1.80 5.27
&rst
ixpk= 0, nxpk= 0, iat=1031,1081, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 69 ASP- HA 73 ALA HN 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat=1031,1088, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 69 ASP- HN 69 ASP- QB 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat=1029, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=1033,1034,
&end
#
# 69 ASP- HN 70 ALA HN 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat=1029,1041, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 69 ASP- QB 70 ALA HN 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1033,1034,
&end
#
# 69 ASP- HB2 70 ALA HN 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat=1033,1041, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 69 ASP- HB3 70 ALA HN 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat=1034,1041, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 70 ALA HA 73 ALA HN 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat=1043,1088, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 70 ALA HA 73 ALA QB 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1092,1093,1094,
&end
#
# 70 ALA HN 70 ALA QB 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat=1041, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=1045,1046,1047,
&end
#
# 70 ALA HN 71 LYS+ HN 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat=1041,1051, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 70 ALA QB 71 LYS+ HN 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1,1051, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=1045,1046,1047,
&end
#
# 70 ALA QB 91 PHE QD 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1=1045,1046,1047,
igr2=1387,1395,
&end
#
# 70 ALA QB 91 PHE QE 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=1045,1046,1047,
igr2=1389,1393,
&end
#
# 71 LYS+ HA 71 LYS+ HG2 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat=1053,1058, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 71 LYS+ HA 71 LYS+ HG3 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat=1053,1059, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 71 LYS+ HA 74 LYS+ HN 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat=1053,1098, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 71 LYS+ HA 74 LYS+ QB 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat=1053, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=1102,1103,
&end
#
# 71 LYS+ HA 74 LYS+ QD 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat=1053, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1108,1109,
&end
#
# 71 LYS+ HA 91 PHE HZ 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat=1053,1391, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 71 LYS+ HN 71 LYS+ QG 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1051, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1058,1059,
&end
#
# 71 LYS+ HN 71 LYS+ HB2 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat=1051,1055, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 71 LYS+ HN 71 LYS+ HB3 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat=1051,1056, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 71 LYS+ HN 72 GLU- HN 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat=1051,1073, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 71 LYS+ QD 91 PHE QE 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1=1061,1062,
igr2=1389,1393,
&end
#
# 71 LYS+ QG 91 PHE HZ 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1,1391, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1058,1059,
&end
#
# 71 LYS+ QG 91 PHE QE 1.80 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1058,1059,
igr2=1389,1393,
&end
#
# 71 LYS+ HB2 72 GLU- HN 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat=1055,1073, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 71 LYS+ HB3 72 GLU- HN 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1056,1073, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 72 GLU- HA 72 GLU- HG2 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat=1075,1080, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 72 GLU- HA 72 GLU- HG3 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat=1075,1081, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 72 GLU- HA 74 LYS+ HN 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat=1075,1098, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 72 GLU- HA 75 GLU- HN 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat=1075,1120, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 72 GLU- HA 75 GLU- QB 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat=1075, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=1124,1125,
&end
#
# 72 GLU- HA 76 ARG+ HN 1.80 5.16
&rst
ixpk= 0, nxpk= 0, iat=1075,1135, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 72 GLU- HA 76 ARG+ QG 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat=1075, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1142,1143,
&end
#
# 72 GLU- HN 72 GLU- HB2 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat=1073,1077, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 72 GLU- HN 72 GLU- HB3 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat=1073,1078, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 72 GLU- HN 72 GLU- HG2 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat=1073,1080, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 72 GLU- HN 72 GLU- HG3 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat=1073,1081, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 72 GLU- HN 73 ALA HN 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat=1073,1088, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 72 GLU- QB 73 ALA HN 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1088, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1=1077,1078,
&end
#
# 72 GLU- HB2 73 ALA HN 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat=1077,1088, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 72 GLU- HB3 73 ALA HN 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat=1078,1088, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 72 GLU- HG2 73 ALA HN 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat=1080,1088, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 72 GLU- HG2 76 ARG+ QG 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1142,1143,
&end
#
# 72 GLU- HG3 76 ARG+ QD 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat=1081, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1145,1146,
&end
#
# 72 GLU- HG3 76 ARG+ QG 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat=1081, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2=1142,1143,
&end
#
# 73 ALA HA 76 ARG+ HN 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat=1090,1135, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 73 ALA HA 76 ARG+ QB 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1139,1140,
&end
#
# 73 ALA HA 76 ARG+ QD 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1145,1146,
&end
#
# 73 ALA HA 76 ARG+ HB2 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat=1090,1139, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 73 ALA HA 76 ARG+ HB3 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat=1090,1140, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 73 ALA HA 77 ALA HN 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat=1090,1159, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 73 ALA HN 73 ALA QB 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat=1088, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1092,1093,1094,
&end
#
# 73 ALA HN 74 LYS+ HN 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat=1088,1098, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 73 ALA QB 74 LYS+ HA 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1,1100, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1092,1093,1094,
&end
#
# 73 ALA QB 74 LYS+ HN 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1,1098, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1=1092,1093,1094,
&end
#
# 74 LYS HA 77 ALA HN 4.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1100,1159, r1= 3.50, r2= 4.00, r3=100.00, r4=100.50, &end
#
# 74 LYS HA 78 ASN HN 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1100,1169, r1= 2.50, r2= 3.00, r3= 6.00, r4= 6.50, &end
#
# 74 LYS HG2 91 PHE QD 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1105, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1387,1395,
&end
#
# 74 LYS HG2 91 PHE QE 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1105, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1389,1393,
&end
#
# 74 LYS HG3 91 PHE QD 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1106, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1387,1395,
&end
#
# 74 LYS HG3 91 PHE QE 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1106, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1389,1393,
&end
#
# 74 LYS+ HA 74 LYS+ QD 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat=1100, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1108,1109,
&end
#
# 74 LYS+ HA 74 LYS+ QE 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat=1100, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1111,1112,
&end
#
# 74 LYS+ HA 74 LYS+ QG 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat=1100, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1105,1106,
&end
#
# 74 LYS+ HA 89 VAL HB 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat=1100,1355, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 74 LYS+ HA 89 VAL QG1 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat=1100, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=1357,1358,1359,
&end
#
# 74 LYS+ HN 74 LYS+ QD 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat=1098, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1108,1109,
&end
#
# 74 LYS+ HN 74 LYS+ QG 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat=1098, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1105,1106,
&end
#
# 74 LYS+ HN 74 LYS+ HB2 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat=1098,1102, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 74 LYS+ HN 74 LYS+ HB3 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat=1098,1103, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 74 LYS+ HN 75 GLU- HN 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat=1098,1120, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 74 LYS+ HN 75 GLU- QG 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat=1098, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1127,1128,
&end
#
# 74 LYS+ HN 89 VAL QG1 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat=1098, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=1357,1358,1359,
&end
#
# 74 LYS+ QB 74 LYS+ QD 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1102,1103,
igr2=1108,1109,
&end
#
# 74 LYS+ QB 75 GLU- HN 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1120, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1102,1103,
&end
#
# 74 LYS+ QD 75 GLU- HA 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1108,1109,
&end
#
# 74 LYS+ QD 75 GLU- HN 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1120, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1=1108,1109,
&end
#
# 74 LYS+ QD 75 GLU- QG 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1108,1109,
igr2=1127,1128,
&end
#
# 74 LYS+ QD 90 ASP- HA 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1,1369, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1108,1109,
&end
#
# 74 LYS+ QD 91 PHE QE 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1=1108,1109,
igr2=1389,1393,
&end
#
# 74 LYS+ QE 89 VAL QG1 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1=1111,1112,
igr2=1357,1358,1359,
&end
#
# 74 LYS+ QE 90 ASP- HA 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1369, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1=1111,1112,
&end
#
# 74 LYS+ QE 91 PHE HN 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1379, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1111,1112,
&end
#
# 74 LYS+ QE 91 PHE QE 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1111,1112,
igr2=1389,1393,
&end
#
# 74 LYS+ QG 74 LYS+ QE 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1105,1106,
igr2=1111,1112,
&end
#
# 74 LYS+ QG 89 VAL QG1 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1105,1106,
igr2=1357,1358,1359,
&end
#
# 74 LYS+ HB2 91 PHE QE 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat=1102, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1389,1393,
&end
#
# 74 LYS+ HB3 91 PHE QE 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat=1103, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1389,1393,
&end
#
# 74 LYS+ HG2 74 LYS+ QE 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1105, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1111,1112,
&end
#
# 74 LYS+ HG2 90 ASP- HA 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat=1105,1369, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 74 LYS+ HG3 74 LYS+ QE 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1106, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1111,1112,
&end
#
# 74 LYS+ HG3 90 ASP- HA 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat=1106,1369, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 75 GLU HA 78 ASN HN 4.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1122,1169, r1= 3.50, r2= 4.00, r3=100.00, r4=100.50, &end
#
# 75 GLU- HN 75 GLU- QB 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1120, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1124,1125,
&end
#
# 75 GLU- HN 75 GLU- QG 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat=1120, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=1127,1128,
&end
#
# 75 GLU- HN 75 GLU- HG2 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat=1120,1127, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 75 GLU- HN 75 GLU- HG3 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat=1120,1128, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 75 GLU- HN 76 ARG+ HN 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat=1120,1135, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 75 GLU- QB 76 ARG+ HN 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1124,1125,
&end
#
# 76 ARG+ HA 76 ARG+ QD 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat=1137, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2=1145,1146,
&end
#
# 76 ARG+ HA 76 ARG+ QG 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat=1137, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2=1142,1143,
&end
#
# 76 ARG+ HN 76 ARG+ QD 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1145,1146,
&end
#
# 76 ARG+ HN 76 ARG+ QG 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=1142,1143,
&end
#
# 76 ARG+ HN 76 ARG+ HB2 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat=1135,1139, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 76 ARG+ HN 76 ARG+ HB3 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat=1135,1140, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 76 ARG+ HN 77 ALA HN 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat=1135,1159, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 76 ARG+ HN 77 ALA QB 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1163,1164,1165,
&end
#
# 76 ARG+ QB 77 ALA QB 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1139,1140,
igr2=1163,1164,1165,
&end
#
# 76 ARG+ QD 77 ALA HN 1.80 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1=1145,1146,
&end
#
# 76 ARG+ QG 77 ALA HN 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1142,1143,
&end
#
# 76 ARG+ HB2 76 ARG+ QD 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat=1139, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1145,1146,
&end
#
# 76 ARG+ HB2 77 ALA HN 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat=1139,1159, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 76 ARG+ HB3 76 ARG+ QD 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat=1140, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1145,1146,
&end
#
# 76 ARG+ HB3 77 ALA HN 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat=1140,1159, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 77 ALA HA 80 MET HN 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat=1161,1190, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 77 ALA HA 80 MET QE 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat=1161, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1201,1202,1203,
&end
#
# 77 ALA HA 80 MET HB2 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat=1161,1194, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 77 ALA HA 80 MET HB3 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat=1161,1195, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 77 ALA HA 80 MET HG2 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat=1161,1197, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 77 ALA HN 77 ALA QB 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=1163,1164,1165,
&end
#
# 77 ALA HN 78 ASN HN 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat=1159,1169, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 77 ALA QB 78 ASN HN 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1169, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1163,1164,1165,
&end
#
# 77 ALA QB 80 MET QB 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=1163,1164,1165,
igr2=1194,1195,
&end
#
# 77 ALA QB 80 MET QE 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1163,1164,1165,
igr2=1201,1202,1203,
&end
#
# 77 ALA QB 80 MET HG2 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1197, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1163,1164,1165,
&end
#
# 77 ALA QB 80 MET HG3 1.80 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=1163,1164,1165,
&end
#
# 77 ALA QB 87 ILE QD1 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1=1163,1164,1165,
igr2=1321,1322,1323,
&end
#
# 77 ALA QB 89 VAL QG2 1.80 3.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1163,1164,1165,
igr2=1361,1362,1363,
&end
#
# 78 ASN HA 79 GLY HN 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat=1171,1183, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 78 ASN HA 87 ILE QG1 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat=1171, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1318,1319,
&end
#
# 78 ASN HA 88 ARG+ HA 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat=1171,1329, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 78 ASN HA 89 VAL HB 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat=1171,1355, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 78 ASN HA 89 VAL HN 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat=1171,1351, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 78 ASN HA 89 VAL QG2 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat=1171, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1361,1362,1363,
&end
#
# 78 ASN HN 78 ASN HB2 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat=1169,1173, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 78 ASN HN 78 ASN HB3 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat=1169,1174, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 78 ASN HN 89 VAL HB 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat=1169,1355, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 78 ASN HN 89 VAL QG2 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat=1169, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1361,1362,1363,
&end
#
# 78 ASN QB 78 ASN QD2 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1173,1174,
igr2=1178,1179,
&end
#
# 78 ASN QB 79 GLY HN 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1183, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1173,1174,
&end
#
# 78 ASN QB 89 VAL HB 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1,1355, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1=1173,1174,
&end
#
# 78 ASN QB 89 VAL QG1 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1=1173,1174,
igr2=1357,1358,1359,
&end
#
# 78 ASN QB 89 VAL QG2 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1173,1174,
igr2=1361,1362,1363,
&end
#
# 78 ASN HB2 89 VAL HB 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat=1173,1355, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 78 ASN HB2 89 VAL QG2 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat=1173, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1361,1362,1363,
&end
#
# 78 ASN HB3 89 VAL HB 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat=1174,1355, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 78 ASN HB3 89 VAL QG2 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat=1174, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1361,1362,1363,
&end
#
# 79 GLY HN 80 MET HN 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat=1183,1190, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 79 GLY HN 87 ILE QG1 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat=1183, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1318,1319,
&end
#
# 79 GLY HN 88 ARG+ HA 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat=1183,1329, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 79 GLY HN 89 VAL QG2 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat=1183, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1361,1362,1363,
&end
#
# 79 GLY HA2 86 ARG+ QD 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1185, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1294,1295,
&end
#
# 79 GLY HA2 86 ARG+ QG 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat=1185, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1291,1292,
&end
#
# 79 GLY HA2 86 ARG+ HB3 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat=1185,1289, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 79 GLY HA2 86 ARG+ HG2 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat=1185,1291, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 79 GLY HA2 86 ARG+ HG3 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat=1185,1292, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 79 GLY HA3 86 ARG HA 4.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1186,1286, r1= 3.50, r2= 4.00, r3=100.00, r4=100.50, &end
#
# 79 GLY HA3 86 ARG+ QG 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat=1186, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1291,1292,
&end
#
# 79 GLY HA3 86 ARG HA 4.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1186,1286, r1= 3.50, r2= 4.00, r3=100.00, r4=100.50, &end
#
# 80 MET HA 80 MET HG2 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat=1192,1197, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 80 MET HA 80 MET HG3 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat=1192,1198, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 80 MET HA 81 GLU- HN 1.80 3.01
&rst
ixpk= 0, nxpk= 0, iat=1192,1207, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 80 MET HN 80 MET QB 1.80 3.17
&rst
ixpk= 0, nxpk= 0, iat=1190, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2=1194,1195,
&end
#
# 80 MET HN 80 MET HB2 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat=1190,1194, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 80 MET HN 80 MET HB3 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat=1190,1195, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 80 MET HN 80 MET HG2 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat=1190,1197, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 80 MET HN 80 MET HG3 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat=1190,1198, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 80 MET HN 87 ILE QD1 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat=1190, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1321,1322,1323,
&end
#
# 80 MET HN 87 ILE QG1 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1190, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1318,1319,
&end
#
# 80 MET HN 87 ILE HG12 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat=1190,1318, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 80 MET HN 87 ILE HG13 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat=1190,1319, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 80 MET QB 81 GLU- HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1207, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=1194,1195,
&end
#
# 80 MET QB 87 ILE QD1 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=1194,1195,
igr2=1321,1322,1323,
&end
#
# 80 MET QE 81 GLU- HN 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1,1207, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1201,1202,1203,
&end
#
# 80 MET QE 82 LEU QD1 1.80 3.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=1201,1202,1203,
igr2=1231,1232,1233,
&end
#
# 80 MET QE 82 LEU QD2 1.80 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,
igr1=1201,1202,1203,
igr2=1235,1236,1237,
&end
#
# 80 MET QE 87 ILE QD1 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1=1201,1202,1203,
igr2=1321,1322,1323,
&end
#
# 80 MET HB2 81 GLU- HN 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat=1194,1207, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 80 MET HB2 87 ILE QD1 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat=1194, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1321,1322,1323,
&end
#
# 80 MET HB3 81 GLU- HN 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat=1195,1207, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 80 MET HB3 87 ILE QD1 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat=1195, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1321,1322,1323,
&end
#
# 80 MET HG2 80 MET QE 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat=1197, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2=1201,1202,1203,
&end
#
# 80 MET HG2 81 GLU- HN 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat=1197,1207, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 80 MET HG2 87 ILE QD1 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat=1197, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2=1321,1322,1323,
&end
#
# 80 MET HG2 87 ILE QG1 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat=1197, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1318,1319,
&end
#
# 80 MET HG2 87 ILE HG12 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat=1197,1318, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 80 MET HG2 87 ILE HG13 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat=1197,1319, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 80 MET HG3 81 GLU- HN 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat=1198,1207, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 80 MET HG3 82 LEU QB 1.80 5.22
&rst
ixpk= 0, nxpk= 0, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=1226,1227,
&end
#
# 80 MET HG3 82 LEU QD1 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1231,1232,1233,
&end
#
# 80 MET HG3 87 ILE QD1 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=1321,1322,1323,
&end
#
# 80 MET HG3 87 ILE QG1 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1318,1319,
&end
#
# 80 MET HG3 87 ILE QG2 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1314,1315,1316,
&end
#
# 81 GLU- HA 82 LEU HN 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat=1209,1222, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 81 GLU- HA 86 ARG+ HA 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat=1209,1286, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 81 GLU- HA 87 ILE HN 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat=1209,1308, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 81 GLU- HN 81 GLU- HB2 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat=1207,1211, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 81 GLU- HN 81 GLU- HB3 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat=1207,1212, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 81 GLU- HN 81 GLU- HG2 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat=1207,1214, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 81 GLU- HN 81 GLU- HG3 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat=1207,1215, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 81 GLU- HB2 82 LEU HN 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat=1211,1222, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 81 GLU- HB2 86 ARG+ HA 1.80 5.03
&rst
ixpk= 0, nxpk= 0, iat=1211,1286, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 81 GLU- HB3 82 LEU HN 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat=1212,1222, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 81 GLU- HG2 82 LEU HN 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat=1214,1222, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 81 GLU- HG2 84 GLY HN 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat=1214,1253, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 81 GLU- HG2 84 GLY QA 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat=1214, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1255,1256,
&end
#
# 81 GLU- HG2 85 ARG+ HN 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat=1214,1260, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 81 GLU- HG3 82 LEU HN 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat=1215,1222, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 81 GLU- HG3 84 GLY HN 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat=1215,1253, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 81 GLU- HG3 85 ARG+ HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1215,1262, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 81 GLU- HG3 86 ARG+ HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1215,1286, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 81 GLU- HG3 86 ARG+ QD 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat=1215, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1294,1295,
&end
#
# 82 LEU HA 82 LEU HG 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat=1224,1229, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 82 LEU HA 82 LEU QD1 1.80 2.99
&rst
ixpk= 0, nxpk= 0, iat=1224, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1231,1232,1233,
&end
#
# 82 LEU HA 82 LEU QD2 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat=1224, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1235,1236,1237,
&end
#
# 82 LEU HA 83 ASP- HN 1.80 3.19
&rst
ixpk= 0, nxpk= 0, iat=1224,1241, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 82 LEU HG 83 ASP- QB 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat=1229, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2=1245,1246,
&end
#
# 82 LEU HN 82 LEU QB 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat=1222, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=1226,1227,
&end
#
# 82 LEU HN 82 LEU HB2 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat=1222,1226, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 82 LEU HN 82 LEU HB3 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat=1222,1227, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 82 LEU HN 85 ARG+ HN 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat=1222,1260, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 82 LEU HN 86 ARG+ HA 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat=1222,1286, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 82 LEU HN 87 ILE QG2 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat=1222, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1314,1315,1316,
&end
#
# 82 LEU QB 82 LEU QD2 1.80 3.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1=1226,1227,
igr2=1235,1236,1237,
&end
#
# 82 LEU QB 83 ASP- HN 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1,1241, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1=1226,1227,
&end
#
# 82 LEU QB 87 ILE QG2 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1226,1227,
igr2=1314,1315,1316,
&end
#
# 82 LEU HB2 83 ASP- HN 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat=1226,1241, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 82 LEU HB3 83 ASP- HN 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat=1227,1241, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 82 LEU QD1 83 ASP- HN 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1241, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1=1231,1232,1233,
&end
#
# 83 ASP- HA 84 GLY HN 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat=1243,1253, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 83 ASP- HN 83 ASP- QB 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat=1241, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=1245,1246,
&end
#
# 83 ASP- HN 84 GLY HN 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat=1241,1253, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 84 GLY HN 85 ARG+ HN 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat=1253,1260, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 85 ARG+ HA 85 ARG+ QD 1.80 3.07
&rst
ixpk= 0, nxpk= 0, iat=1262, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr2=1270,1271,
&end
#
# 85 ARG+ HA 85 ARG+ QG 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1262, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1267,1268,
&end
#
# 85 ARG+ HA 86 ARG+ HN 1.80 3.05
&rst
ixpk= 0, nxpk= 0, iat=1262,1284, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 85 ARG+ HN 85 ARG+ QB 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat=1260, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2=1264,1265,
&end
#
# 85 ARG+ HN 85 ARG+ QD 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat=1260, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2=1270,1271,
&end
#
# 85 ARG+ HN 85 ARG+ QG 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat=1260, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2=1267,1268,
&end
#
# 85 ARG+ HN 85 ARG+ HG2 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1260,1267, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 85 ARG+ HN 85 ARG+ HG3 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1260,1268, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 85 ARG+ QB 85 ARG+ QD 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1=1264,1265,
igr2=1270,1271,
&end
#
# 85 ARG+ QB 86 ARG+ HN 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1284, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1=1264,1265,
&end
#
# 85 ARG+ QD 86 ARG+ HN 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1284, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1270,1271,
&end
#
# 85 ARG+ HB2 86 ARG+ HN 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat=1264,1284, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 85 ARG+ HB3 86 ARG+ HN 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat=1265,1284, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 86 ARG HA 87 ILE HN 1.80 2.50
&rst
ixpk= 0, nxpk= 0, iat=1286,1308, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 86 ARG HN 85 ARG HA 1.80 2.50
&rst
ixpk= 0, nxpk= 0, iat=1284,1262, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 86 ARG QD 79 GLY QA 3.50 100.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.00, r2= 3.50, r3=125.99, r4=126.49,
igr1=1294,1295,
igr2=1185,1186,
&end
#
# 86 ARG QG 79 GLY QA 3.50 100.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.00, r2= 3.50, r3=125.99, r4=126.49,
igr1=1291,1292,
igr2=1185,1186,
&end
#
# 86 ARG+ HA 86 ARG+ QD 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat=1286, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2=1294,1295,
&end
#
# 86 ARG+ HA 86 ARG+ HG2 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat=1286,1291, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 86 ARG+ HA 86 ARG+ HG3 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat=1286,1292, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 86 ARG+ HA 87 ILE HN 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat=1286,1308, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 86 ARG+ HA 87 ILE QG2 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat=1286, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1314,1315,1316,
&end
#
# 86 ARG+ HN 86 ARG+ QD 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat=1284, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1294,1295,
&end
#
# 86 ARG+ HN 86 ARG+ QG 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat=1284, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1291,1292,
&end
#
# 86 ARG+ HN 86 ARG+ HB2 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat=1284,1288, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 86 ARG+ HN 86 ARG+ HB3 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat=1284,1289, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 86 ARG+ HN 86 ARG+ HG2 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat=1284,1291, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 86 ARG+ HN 86 ARG+ HG3 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat=1284,1292, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 86 ARG+ QG 87 ILE HN 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1308, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=1291,1292,
&end
#
# 86 ARG+ HB2 86 ARG+ QD 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat=1288, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1294,1295,
&end
#
# 86 ARG+ HB3 86 ARG+ QD 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat=1289, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=1294,1295,
&end
#
# 86 ARG+ HB3 87 ILE HN 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat=1289,1308, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 87 ILE HA 87 ILE QG2 1.80 3.14
&rst
ixpk= 0, nxpk= 0, iat=1310, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1314,1315,1316,
&end
#
# 87 ILE HA 88 ARG+ HN 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat=1310,1327, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 87 ILE HB 87 ILE QD1 1.80 3.17
&rst
ixpk= 0, nxpk= 0, iat=1312, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2=1321,1322,1323,
&end
#
# 87 ILE HB 88 ARG+ HN 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat=1312,1327, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 87 ILE HN 87 ILE HB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1308,1312, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 87 ILE HN 87 ILE QD1 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat=1308, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1321,1322,1323,
&end
#
# 87 ILE HN 87 ILE QG1 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat=1308, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1318,1319,
&end
#
# 87 ILE HN 87 ILE QG2 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1308, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1314,1315,1316,
&end
#
# 87 ILE HN 87 ILE HG12 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat=1308,1318, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 87 ILE HN 87 ILE HG13 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat=1308,1319, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 87 ILE QD1 89 VAL QG2 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1321,1322,1323,
igr2=1361,1362,1363,
&end
#
# 87 ILE QG1 89 VAL QG2 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1318,1319,
igr2=1361,1362,1363,
&end
#
# 87 ILE QG2 87 ILE HG12 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1318, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1=1314,1315,1316,
&end
#
# 87 ILE QG2 87 ILE HG13 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1319, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1=1314,1315,1316,
&end
#
# 88 ARG HE 22 GLY QA 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1340, -1, r1= 2.50, r2= 3.00, r3= 6.73, r4= 7.23,
igr2= 271, 272,
&end
#
# 88 ARG QD 86 ARG QB 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3=125.99, r4=126.49,
igr1=1337,1338,
igr2=1288,1289,
&end
#
# 88 ARG HD2 79 GLY HA3 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1337,1186, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 88 ARG HD2 79 GLY HA3 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1337,1186, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 88 ARG HD3 79 GLY HA3 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1338,1186, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 88 ARG HD3 79 GLY HA3 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1338,1186, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 88 ARG+ HA 89 VAL HN 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat=1329,1351, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 89 VAL HA 89 VAL QG1 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat=1353, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1357,1358,1359,
&end
#
# 89 VAL HA 89 VAL QG2 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat=1353, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2=1361,1362,1363,
&end
#
# 89 VAL HA 90 ASP- HN 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat=1353,1367, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 89 VAL HN 89 VAL HB 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat=1351,1355, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 89 VAL HN 89 VAL QG2 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat=1351, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1361,1362,1363,
&end
#
# 89 VAL QG1 90 ASP- HA 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1369, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=1357,1358,1359,
&end
#
# 89 VAL QG1 90 ASP- HN 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1=1357,1358,1359,
&end
#
# 90 ASP- QB 91 PHE HN 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1379, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=1371,1372,
&end
#
# 90 ASP- HB2 91 PHE HN 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat=1371,1379, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 90 ASP- HB3 91 PHE HN 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat=1372,1379, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 91 PHE HA 91 PHE QD 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat=1381, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=1387,1395,
&end
#
# 91 PHE HN 91 PHE QD 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat=1379, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2=1387,1395,
&end
#
# 92 SER HB2 94 THR HN 1.80 4.96
&rst
ixpk= 0, nxpk= 0, iat=1403,1429, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 92 SER HB3 94 THR HN 1.80 4.96
&rst
ixpk= 0, nxpk= 0, iat=1404,1429, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 93 ILE HA 93 ILE QD1 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat=1412, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1423,1424,1425,
&end
#
# 93 ILE HA 93 ILE QG2 1.80 3.19
&rst
ixpk= 0, nxpk= 0, iat=1412, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=1416,1417,1418,
&end
#
# 93 ILE HA 94 THR QG2 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat=1412, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1435,1436,1437,
&end
#
# 93 ILE HB 93 ILE QD1 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat=1414, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2=1423,1424,1425,
&end
#
# 93 ILE HN 93 ILE QG1 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat=1410, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1420,1421,
&end
#
# 93 ILE HN 93 ILE QG2 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat=1410, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1416,1417,1418,
&end
#
# 93 ILE HN 94 THR HN 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat=1410,1429, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 93 ILE QD1 94 THR QG2 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1423,1424,1425,
igr2=1435,1436,1437,
&end
#
# 93 ILE QG1 94 THR QG2 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1420,1421,
igr2=1435,1436,1437,
&end
#
# 93 ILE HG12 94 THR QG2 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat=1420, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1435,1436,1437,
&end
#
# 93 ILE HG13 94 THR QG2 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat=1421, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1435,1436,1437,
&end
#
# 94 THR HA 94 THR QG2 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat=1431, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2=1435,1436,1437,
&end
#
# 94 THR HB 95 LYS+ HN 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat=1433,1443, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 94 THR HN 94 THR QG2 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat=1429, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1435,1436,1437,
&end
#
# 95 LYS+ HA 95 LYS+ QG 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat=1445, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1450,1451,
&end
#
# 95 LYS+ HA 96 ARG+ HN 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat=1445,1465, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 95 LYS+ HN 95 LYS+ QD 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat=1443, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1453,1454,
&end
#
# 95 LYS+ HN 95 LYS+ QG 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat=1443, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1450,1451,
&end
#
# 95 LYS+ QB 96 ARG+ HN 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1=1447,1448,
&end
#
# 95 LYS+ HB2 96 ARG+ HN 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat=1447,1465, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 95 LYS+ HB3 96 ARG+ HN 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat=1448,1465, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 96 ARG+ HA 96 ARG+ QD 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat=1467, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=1475,1476,
&end
#
# 96 ARG+ HA 96 ARG+ QG 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat=1467, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1472,1473,
&end
#
# 96 ARG+ HA 96 ARG+ HD2 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat=1467,1475, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 96 ARG+ HA 96 ARG+ HD3 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat=1467,1476, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 96 ARG+ HA 97 PROO QD 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat=1467, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1490,1491,
&end
#
# 96 ARG+ HN 96 ARG+ QB 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat=1465, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1469,1470,
&end
#
# 96 ARG+ HN 96 ARG+ QG 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat=1465, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1472,1473,
&end
#
# 96 ARG+ QB 97 PROO QD 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1469,1470,
igr2=1490,1491,
&end
#
# 96 ARG+ QG 97 PROO QD 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1472,1473,
igr2=1490,1491,
&end
#
# 96 ARG+ HB2 97 PROO QD 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat=1469, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1490,1491,
&end
#
# 96 ARG+ HB3 97 PROO QD 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat=1470, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1490,1491,
&end
#
# 99 THR HA 99 THR QG2 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat=1522, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1526,1527,1528,
&end
#
# 101 RA H2 50 ASP QB 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1589, -1, r1= 4.50, r2= 5.00, r3=112.25, r4=112.75,
igr2= 722, 723,
&end
#
# 101 RA H2 55 ARG QB 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1589, -1, r1= 4.50, r2= 5.00, r3=112.25, r4=112.75,
igr2= 803, 804,
&end
#
# 101 RA H2 55 ARG QG 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1589, -1, r1= 4.50, r2= 5.00, r3=112.25, r4=112.75,
igr2= 806, 807,
&end
#
# 101 RA H2 55 ARG QD 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1589, -1, r1= 4.50, r2= 5.00, r3=112.25, r4=112.75,
igr2= 809, 810,
&end
#
# 101 RA H2 57 ARG HA 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1589, 836, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 101 RA H2 57 ARG QB 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1589, -1, r1= 4.50, r2= 5.00, r3=112.25, r4=112.75,
igr2= 838, 839,
&end
#
# 101 RA H2 57 ARG QG 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1589, -1, r1= 4.50, r2= 5.00, r3=112.25, r4=112.75,
igr2= 841, 842,
&end
#
# 101 RA H2 57 ARG QD 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1589, -1, r1= 4.50, r2= 5.00, r3=112.25, r4=112.75,
igr2= 844, 845,
&end
#
# 102 RA H2 20 VAL QQG 3.50 6.50
&rst
ixpk= 0, nxpk= 0, iat=1622, -1, r1= 3.00, r2= 3.50, r3= 8.76, r4= 9.26,
igr2= 239, 240, 241, 243, 244, 245,
&end
#
# 102 RA H2 21 PHE QB 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1622, -1, r1= 2.50, r2= 3.00, r3= 6.73, r4= 7.23,
igr2= 253, 254,
&end
#
# 102 RA H2 22 GLY QA 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1622, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 271, 272,
&end
#
# 102 RA H2 86 ARG QB 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1622, -1, r1= 2.50, r2= 3.00, r3= 6.73, r4= 7.23,
igr2=1288,1289,
&end
#
# 102 RA H2 87 ILE HA 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1622,1310, r1= 2.50, r2= 3.00, r3= 6.00, r4= 6.50, &end
#
# 102 RA H2 87 ILE QG2 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1622, -1, r1= 2.50, r2= 3.00, r3= 7.21, r4= 7.71,
igr2=1314,1315,1316,
&end
#
# 102 RA H2 88 ARG HA 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1622,1329, r1= 2.50, r2= 3.00, r3= 6.00, r4= 6.50, &end
#
# 102 RA H2 88 ARG HE 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1622,1340, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 102 RA H2 88 ARG HN 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1622,1327, r1= 2.50, r2= 3.00, r3= 6.00, r4= 6.50, &end
#
# 102 RA H2 88 ARG HB2 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1622,1331, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 102 RA H2 88 ARG HB3 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1622,1332, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 102 RA H2 88 ARG HD2 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1622,1337, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 102 RA H2 88 ARG HD3 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1622,1338, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 102 RA H2 88 ARG HG2 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1622,1334, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 102 RA H2 88 ARG HG3 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1622,1335, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 102 RA H2 88 ARG QH2 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1622, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1346,1347,
&end
#
# 102 RA H2 102 RA H1' 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1622,1610, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 102 RA H8 101 RA H1' 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1613,1577, r1= 2.50, r2= 3.00, r3= 6.00, r4= 6.50, &end
#
# 102 RA H8 102 RA H1' 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1613,1610, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 102 RA H8 102 RA H5'2 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1613,1605, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 102 RA H8 102 RA H5'1 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1613,1604, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 102 RA H1' 22 GLY HN 3.50 100.00
&rst
ixpk= 0, nxpk= 0, iat=1610, 269, r1= 3.00, r2= 3.50, r3=100.00, r4=100.50, &end
#
# 102 RA H1' 22 GLY QA 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1610, -1, r1= 2.50, r2= 3.00, r3= 6.73, r4= 7.23,
igr2= 271, 272,
&end
#
# 102 RA H1' 88 ARG HE 3.50 100.00
&rst
ixpk= 0, nxpk= 0, iat=1610,1340, r1= 3.00, r2= 3.50, r3=100.00, r4=100.50, &end
#
# 102 RA H1' 88 ARG QH2 3.50 100.00
&rst
ixpk= 0, nxpk= 0, iat=1610, -1, r1= 3.00, r2= 3.50, r3=112.25, r4=112.75,
igr2=1346,1347,
&end
#
# 103 RG H8 21 PHE QB 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1646, -1, r1= 2.50, r2= 3.00, r3= 6.73, r4= 7.23,
igr2= 253, 254,
&end
#
# 103 RG H8 21 PHE QD 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1646, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 257, 265,
&end
#
# 103 RG H8 59 PHE QD 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1646, -1, r1= 2.50, r2= 3.00, r3= 6.73, r4= 7.23,
igr2= 873, 881,
&end
#
# 103 RG H8 59 PHE QE 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1646, -1, r1= 4.50, r2= 5.00, r3=112.25, r4=112.75,
igr2= 875, 879,
&end
#
# 103 RG H8 88 ARG HE 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1646,1340, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 103 RG H8 88 ARG QH2 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1646, -1, r1= 2.50, r2= 3.00, r3= 6.73, r4= 7.23,
igr2=1346,1347,
&end
#
# 103 RG H8 102 RA H2 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1646,1622, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 103 RG H8 102 RA H8 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1646,1613, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 103 RG H8 102 RA H1' 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1646,1610, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 103 RG H8 103 RG H1' 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1646,1643, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 103 RG H8 103 RG H2'1 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1646,1662, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 103 RG Q2 12 PROO QG 3.50 100.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.00, r2= 3.50, r3=125.99, r4=126.49,
igr1=1655,1656,
igr2= 135, 136,
&end
#
# 103 RG Q2 104 RA H2 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1689, r1= 2.50, r2= 3.00, r3= 6.73, r4= 7.23,
igr1=1655,1656,
&end
#
# 103 RG Q2 104 RA Q6 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 7.56, r4= 8.06,
igr1=1655,1656,
igr2=1685,1686,
&end
#
# 103 RG H1' 21 PHE QD 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1643, -1, r1= 2.50, r2= 3.00, r3= 6.73, r4= 7.23,
igr2= 257, 265,
&end
#
# 103 RG H1' 59 PHE QD 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1643, -1, r1= 2.50, r2= 3.00, r3= 6.73, r4= 7.23,
igr2= 873, 881,
&end
#
# 103 RG H1' 103 RG H8 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1643,1646, r1= 2.50, r2= 3.00, r3= 6.00, r4= 6.50, &end
#
# 103 RG H1' 103 RG H2'1 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1643,1662, r1= 2.50, r2= 3.00, r3= 6.00, r4= 6.50, &end
#
# 103 RG H1' 103 RG H4' 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1643,1640, r1= 2.50, r2= 3.00, r3= 6.00, r4= 6.50, &end
#
# 103 RG H1' 104 RA H2 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1643,1689, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 103 RG H1' 104 RA H1' 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1643,1677, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 103 RG H4' 59 PHE QD 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1640, -1, r1= 2.50, r2= 3.00, r3= 6.73, r4= 7.23,
igr2= 873, 881,
&end
#
# 103 RG H4' 59 PHE QE 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1640, -1, r1= 2.50, r2= 3.00, r3= 6.73, r4= 7.23,
igr2= 875, 879,
&end
#
# 104 RA H2 9 ARG HA 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1689, 85, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 104 RA H2 9 ARG HE 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1689, 96, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 104 RA H2 9 ARG HB2 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1689, 87, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 104 RA H2 9 ARG HB3 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1689, 88, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 104 RA H2 9 ARG HD2 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1689, 93, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 104 RA H2 9 ARG HD3 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1689, 94, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 104 RA H2 9 ARG HG2 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1689, 90, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 104 RA H2 9 ARG HG3 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1689, 91, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 104 RA H2 21 PHE QE 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1689, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 259, 263,
&end
#
# 104 RA H2 93 ILE QD1 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1689, -1, r1= 2.50, r2= 3.00, r3= 7.21, r4= 7.71,
igr2=1423,1424,1425,
&end
#
# 104 RA H2 93 ILE QG2 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1689, -1, r1= 2.50, r2= 3.00, r3= 7.21, r4= 7.71,
igr2=1416,1417,1418,
&end
#
# 104 RA H2 103 RG Q2 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1689, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1655,1656,
&end
#
# 104 RA H2 103 RG H1' 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1689,1643, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 104 RA H2 104 RA H2'1 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1689,1695, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 104 RA H2 104 RA H4' 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1689,1674, r1= 2.50, r2= 3.00, r3= 6.00, r4= 6.50, &end
#
# 104 RA H8 61 PHE HZ 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1680, 907, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 104 RA H8 61 PHE QE 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1680, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 905, 909,
&end
#
# 104 RA H8 92 SER HA 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1680,1401, r1= 2.50, r2= 3.00, r3= 6.00, r4= 6.50, &end
#
# 104 RA H8 93 ILE HN 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1680,1410, r1= 2.50, r2= 3.00, r3= 6.00, r4= 6.50, &end
#
# 104 RA H8 93 ILE QD1 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1680, -1, r1= 2.50, r2= 3.00, r3= 7.21, r4= 7.71,
igr2=1423,1424,1425,
&end
#
# 104 RA H8 93 ILE QG2 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1680, -1, r1= 2.50, r2= 3.00, r3= 7.21, r4= 7.71,
igr2=1416,1417,1418,
&end
#
# 104 RA H8 94 THR HN 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1680,1429, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 104 RA H8 94 THR QG2 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1680, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1435,1436,1437,
&end
#
# 104 RA H8 104 RA Q6 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1680, -1, r1= 2.50, r2= 3.00, r3= 6.73, r4= 7.23,
igr2=1685,1686,
&end
#
# 104 RA H8 104 RA H1' 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1680,1677, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 104 RA Q6 9 ARG HA 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 85, r1= 2.50, r2= 3.00, r3= 6.73, r4= 7.23,
igr1=1685,1686,
&end
#
# 104 RA Q6 12 PROO QG 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 7.56, r4= 8.06,
igr1=1685,1686,
igr2= 135, 136,
&end
#
# 104 RA Q6 90 ASP HB2 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1371, r1= 2.50, r2= 3.00, r3= 6.73, r4= 7.23,
igr1=1685,1686,
&end
#
# 104 RA Q6 90 ASP HB3 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1372, r1= 2.50, r2= 3.00, r3= 6.73, r4= 7.23,
igr1=1685,1686,
&end
#
# 104 RA Q6 92 SER HA 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1401, r1= 2.50, r2= 3.00, r3= 6.73, r4= 7.23,
igr1=1685,1686,
&end
#
# 104 RA Q6 93 ILE HN 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1410, r1= 2.50, r2= 3.00, r3= 6.73, r4= 7.23,
igr1=1685,1686,
&end
#
# 104 RA Q6 93 ILE QD1 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 8.09, r4= 8.59,
igr1=1685,1686,
igr2=1423,1424,1425,
&end
#
# 104 RA Q6 93 ILE QG2 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 8.09, r4= 8.59,
igr1=1685,1686,
igr2=1416,1417,1418,
&end
#
# 104 RA Q6 103 RG Q2 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 7.56, r4= 8.06,
igr1=1685,1686,
igr2=1655,1656,
&end
#
# 104 RA H1' 61 PHE HZ 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1677, 907, r1= 2.50, r2= 3.00, r3= 6.00, r4= 6.50, &end
#
# 104 RA H1' 61 PHE QE 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1677, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 905, 909,
&end
#
# 104 RA H1' 93 ILE QG2 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1677, -1, r1= 2.50, r2= 3.00, r3= 7.21, r4= 7.71,
igr2=1416,1417,1418,
&end
#
# 104 RA H1' 94 THR QG2 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1677, -1, r1= 2.50, r2= 3.00, r3= 7.21, r4= 7.71,
igr2=1435,1436,1437,
&end
#
# 104 RA H1' 104 RA H8 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1677,1680, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 104 RA H1' 105 RA H8 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1677,1713, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 105 RA H2 46 SER HN 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1722, 651, r1= 2.50, r2= 3.00, r3= 6.00, r4= 6.50, &end
#
# 105 RA H2 46 SER HB2 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1722, 655, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 105 RA H2 46 SER HB3 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1722, 656, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 105 RA H2 48 VAL QG1 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1722, -1, r1= 2.50, r2= 3.00, r3= 7.21, r4= 7.71,
igr2= 687, 688, 689,
&end
#
# 105 RA H2 61 PHE HA 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1722, 897, r1= 2.50, r2= 3.00, r3= 6.00, r4= 6.50, &end
#
# 105 RA H2 61 PHE QD 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1722, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 903, 911,
&end
#
# 105 RA H2 61 PHE HB2 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1722, 899, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 105 RA H2 61 PHE HB3 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1722, 900, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 105 RA H2 62 VAL HN 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1722, 915, r1= 2.50, r2= 3.00, r3= 6.00, r4= 6.50, &end
#
# 105 RA H2 63 TYR QD 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1722, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 939, 948,
&end
#
# 105 RA H2 63 TYR QE 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1722, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 941, 946,
&end
#
# 105 RA H2 95 LYS QB 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1722, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1447,1448,
&end
#
# 105 RA H2 96 ARG QB 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1722, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1469,1470,
&end
#
# 105 RA H2 96 ARG QD 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1722, -1, r1= 2.50, r2= 3.00, r3= 6.73, r4= 7.23,
igr2=1475,1476,
&end
#
# 105 RA H2 96 ARG QG 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1722, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1472,1473,
&end
#
# 105 RA H2 96 ARG HD2 3.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1722,1475, r1= 2.50, r2= 3.00, r3=100.00, r4=100.50, &end
#
# 105 RA H2 96 ARG HD3 3.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1722,1476, r1= 2.50, r2= 3.00, r3=100.00, r4=100.50, &end
#
# 105 RA H2 97 PROO QD 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1722, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1490,1491,
&end
#
# 105 RA H8 48 VAL QG1 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1713, -1, r1= 2.50, r2= 3.00, r3= 7.21, r4= 7.71,
igr2= 687, 688, 689,
&end
#
# 105 RA H8 48 VAL QG2 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1713, -1, r1= 2.50, r2= 3.00, r3= 7.21, r4= 7.71,
igr2= 691, 692, 693,
&end
#
# 105 RA H8 59 PHE QD 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1713, -1, r1= 2.50, r2= 3.00, r3= 6.73, r4= 7.23,
igr2= 873, 881,
&end
#
# 105 RA H8 59 PHE QE 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1713, -1, r1= 2.50, r2= 3.00, r3= 6.73, r4= 7.23,
igr2= 875, 879,
&end
#
# 105 RA H8 61 PHE HZ 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1713, 907, r1= 2.50, r2= 3.00, r3= 6.00, r4= 6.50, &end
#
# 105 RA H8 61 PHE QE 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1713, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 905, 909,
&end
#
# 105 RA H8 94 THR QG2 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1713, -1, r1= 2.50, r2= 3.00, r3= 7.21, r4= 7.71,
igr2=1435,1436,1437,
&end
#
# 105 RA H8 104 RA H8 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1713,1680, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 105 RA H8 104 RA H1' 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1713,1677, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 105 RA H8 104 RA H4' 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1713,1674, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 105 RA H8 105 RA H2'1 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1713,1728, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 105 RA H1' 48 VAL HA 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1710, 683, r1= 2.50, r2= 3.00, r3= 6.00, r4= 6.50, &end
#
# 105 RA H1' 48 VAL QG1 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1710, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 687, 688, 689,
&end
#
# 105 RA H1' 48 VAL QG2 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1710, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 691, 692, 693,
&end
#
# 105 RA H1' 59 PHE HZ 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1710, 877, r1= 2.50, r2= 3.00, r3= 6.00, r4= 6.50, &end
#
# 105 RA H1' 59 PHE QD 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1710, -1, r1= 2.50, r2= 3.00, r3= 6.73, r4= 7.23,
igr2= 873, 881,
&end
#
# 105 RA H1' 59 PHE QE 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1710, -1, r1= 2.50, r2= 3.00, r3= 6.73, r4= 7.23,
igr2= 875, 879,
&end
#
# 105 RA H1' 61 PHE QE 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1710, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 905, 909,
&end
#
# 105 RA H2'1 48 VAL QG1 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1728, -1, r1= 2.50, r2= 3.00, r3= 7.21, r4= 7.71,
igr2= 687, 688, 689,
&end
#
# 105 RA H2'1 97 PROO QD 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1728, -1, r1= 4.50, r2= 5.00, r3=112.25, r4=112.75,
igr2=1490,1491,
&end
#
# 105 RA H3' 97 PROO QD 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1726, -1, r1= 4.50, r2= 5.00, r3=112.25, r4=112.75,
igr2=1490,1491,
&end
#
# 105 RA H4' 48 VAL QG1 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1707, -1, r1= 2.50, r2= 3.00, r3= 7.21, r4= 7.71,
igr2= 687, 688, 689,
&end
#
# 105 RA H4' 48 VAL QG2 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1707, -1, r1= 2.50, r2= 3.00, r3= 7.21, r4= 7.71,
igr2= 691, 692, 693,
&end
#
# 105 RA H4' 59 PHE HZ 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1707, 877, r1= 2.50, r2= 3.00, r3= 6.00, r4= 6.50, &end
#
# 105 RA H4' 59 PHE QE 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1707, -1, r1= 2.50, r2= 3.00, r3= 6.73, r4= 7.23,
igr2= 875, 879,
&end
# 1732 atoms read from pdb file leap.pdb.
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